calc-log.txt

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Amp: Atomistic Machine-learning Package
Developed by Andrew Peterson, Alireza Khorshidi, and others,
Brown University.
PI Website: http://brown.edu/go/catalyst
Official repository: http://bitbucket.org/andrewpeterson/amp
Official documentation: http://amp.readthedocs.org/
Citation:
  Alireza Khorshidi & Andrew A. Peterson,
  Computer Physics Communications 207: 310-324 (2016).
  http://doi.org/10.1016/j.cpc.2016.05.010
======================================================================
User: sravanj
Hostname: DESKTOP-NS16LJT
Date: 2020-04-13T10:47:00 (2020-04-13T14:47:00 UTC)
Architecture: x86_64
PID: 22
Amp version: 0.6
Amp directory: /usr/lib/python3/dist-packages/amp
 Last commit: b'unknown hash'
 Last commit date: b'unknown date'
Python: v3.6.9: /usr/bin/python3
ASE v3.19.1: /home/sravanj/.local/lib/python3.6/site-packages/ase
NumPy v1.18.2: /home/sravanj/.local/lib/python3.6/site-packages/numpy
SciPy v1.4.1: /home/sravanj/.local/lib/python3.6/site-packages/scipy
ZMQ/PyZMQ v4.3.2/v19.0.0: /home/sravanj/.local/lib/python3.6/site-packages/zmq
pxssh: Not available from pxssh.
pxssh (via pexpect v4.8.0): /home/sravanj/.local/lib/python3.6/site-packages/pexpect/pxssh.py
======================================================================
No queuing system detected; single machine assumed.
Parallel configuration determined from environment for <single machine>:
  localhost: 12

Amp training started. 2020-04-13T10:47:00

Descriptor: Gaussian
  (<amp.descriptor.gaussian.Gaussian object at 0x7f17954e6e10>)
Model: NeuralNetwork
  (<amp.model.neuralnetwork.NeuralNetwork object at 0x7f17954e6ac8>)
Attempting to read images from file training_data.traj.
Hashing images...
 150 unique images after hashing.
...hashing completed. 0.0 min.

Descriptor
==========
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
Finding unique set of elements in training data.
2 unique elements included: H, O
No symmetry functions supplied; creating defaults.
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 0 total images, 0 of which are needed.
 150 new calculations needed.
 Parallel processing.
 Established server at DESKTOP-NS16LJT:53804.
 Establishing worker sessions.
 Starting local connections.
  Session 0 (localhost): b'Log and error written to /tmp/tmp04pa6t1u.stderr'
  Session 1 (localhost): b'Log and error written to /tmp/tmpvpc92o0c.stderr'
  Session 2 (localhost): b'Log and error written to /tmp/tmpuz34p43q.stderr'
  Session 3 (localhost): b'Log and error written to /tmp/tmp51z51k2p.stderr'
  Session 4 (localhost): b'Log and error written to /tmp/tmpah5svedj.stderr'
  Session 5 (localhost): b'Log and error written to /tmp/tmpmtg88w2f.stderr'
  Session 6 (localhost): b'Log and error written to /tmp/tmptfhwsrm9.stderr'
  Session 7 (localhost): b'Log and error written to /tmp/tmpswl7qsa4.stderr'
  Session 8 (localhost): b'Log and error written to /tmp/tmp0epsa20g.stderr'
  Session 9 (localhost): b'Log and error written to /tmp/tmpx5h9octr.stderr'
  Session 10 (localhost): b'Log and error written to /tmp/tmpemjcugh0.stderr'
  Session 11 (localhost): b'Log and error written to /tmp/tmpz0g6y9dt.stderr'
 Parallel calculations starting...
  Process 1 returned 13 results.
  Process 5 returned 13 results.
  Process 11 returned 12 results.
  Process 8 returned 12 results.
  Process 0 returned 13 results.
  Process 4 returned 13 results.
  Process 7 returned 12 results.
  Process 2 returned 13 results.
  Process 3 returned 13 results.
  Process 6 returned 12 results.
  Process 9 returned 12 results.
  Process 10 returned 12 results.
  150 new results.
 ...parallel calculations finished. 0.0 min.
 Adding new results to database.
...neighborlists calculated. 0.1 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 0 total images, 0 of which are needed.
 150 new calculations needed.
 Parallel processing.
 Established server at DESKTOP-NS16LJT:53817.
 Establishing worker sessions.
 Starting local connections.
  Session 0 (localhost): b'Log and error written to /tmp/tmp3f73vnlq.stderr'
  Session 1 (localhost): b'Log and error written to /tmp/tmpw5y503od.stderr'
  Session 2 (localhost): b'Log and error written to /tmp/tmpfsr_ccu3.stderr'
  Session 3 (localhost): b'Log and error written to /tmp/tmp1k_ttct5.stderr'
  Session 4 (localhost): b'Log and error written to /tmp/tmp0fu3nj73.stderr'
  Session 5 (localhost): b'Log and error written to /tmp/tmp8i8thxc4.stderr'
  Session 6 (localhost): b'Log and error written to /tmp/tmpkh1kbcja.stderr'
  Session 7 (localhost): b'Log and error written to /tmp/tmppizlqzp9.stderr'
  Session 8 (localhost): b'Log and error written to /tmp/tmpt7wrldkr.stderr'
  Session 9 (localhost): b'Log and error written to /tmp/tmp_owyd1i1.stderr'
  Session 10 (localhost): b'Log and error written to /tmp/tmpjx2g20ck.stderr'
  Session 11 (localhost): b'Log and error written to /tmp/tmp0hk4azca.stderr'
 Parallel calculations starting...
  Process 0 returned 13 results.
  Process 1 returned 13 results.
  Process 7 returned 12 results.
  Process 5 returned 13 results.
  Process 4 returned 13 results.
  Process 3 returned 13 results.
  Process 6 returned 12 results.
  Process 8 returned 12 results.
  Process 9 returned 12 results.
  Process 10 returned 12 results.
  Process 2 returned 13 results.
  Process 11 returned 12 results.
  150 new results.
 ...parallel calculations finished. 0.0 min.
 Adding new results to database.
...fingerprints calculated. 0.1 min.

Model fitting
=============
Regression in atom-centered mode.
Calculating new fingerprint range; this range is part of the model.
Hidden-layer structure:
  O: (5, 5)
  H: (5, 5)
Initializing with random weights.
Initializing with random scalings.
Starting parameter optimization.
 Optimizer: <function fmin_bfgs at 0x7f1792cbbd90>
 Optimizer kwargs: {'gtol': 1e-15}
Saving checkpoint data.
 Parallel processing.
 Established server at DESKTOP-NS16LJT:53830.
 Establishing worker sessions.
 Starting local connections.
  Session 0 (localhost): b'Log and stderr written to /tmp/tmp07far2gm.stderr'
  Session 1 (localhost): b'Log and stderr written to /tmp/tmpvx8ohhje.stderr'
  Session 2 (localhost): b'Log and stderr written to /tmp/tmpd7oxkezt.stderr'
  Session 3 (localhost): b'Log and stderr written to /tmp/tmp52jk3s3w.stderr'
  Session 4 (localhost): b'Log and stderr written to /tmp/tmp6mk0515i.stderr'
  Session 5 (localhost): b'Log and stderr written to /tmp/tmpq4u3sh_5.stderr'
  Session 6 (localhost): b'Log and stderr written to /tmp/tmpdkzpvap8.stderr'
  Session 7 (localhost): b'Log and stderr written to /tmp/tmp2_1glifk.stderr'
  Session 8 (localhost): b'Log and stderr written to /tmp/tmp1g56sulu.stderr'
  Session 9 (localhost): b'Log and stderr written to /tmp/tmpmmrc_pxx.stderr'
  Session 10 (localhost): b'Log and stderr written to /tmp/tmp2nfk0kyu.stderr'
  Session 11 (localhost): b'Log and stderr written to /tmp/tmpergl6gnf.stderr'
 Loss function convergence criteria:
  energy_rmse: 0.05
  energy_maxresid: None
  force_rmse: None
  force_maxresid: None
 Loss function set-up:
  energy_coefficient: 1.0
  force_coefficient: None
  overfit: 0.0


                                                          Energy
 Step                Time   Loss (SSD)   EnergyRMSE     MaxResid
===== =================== ============ ============ ============
    0 2020-04-13T10:47:20   4.4175e+01 5.4268e-01 - 9.9109e-01 C
    1 2020-04-13T10:47:20   1.1779e+02 8.8614e-01 - 1.6906e+00 C
    2 2020-04-13T10:47:20   2.7638e+01 4.2925e-01 - 9.9193e-01 C
    3 2020-04-13T10:47:20   7.1355e+00 2.1810e-01 - 7.0203e-01 C
    4 2020-04-13T10:47:20   9.1445e+01 7.8079e-01 - 1.2390e+00 C
    5 2020-04-13T10:47:20   3.2496e+00 1.4719e-01 - 5.4571e-01 C
    6 2020-04-13T10:47:20   9.9413e+00 2.5744e-01 - 4.9501e-01 C
    7 2020-04-13T10:47:20   2.1020e+00 1.1838e-01 - 4.4098e-01 C
    8 2020-04-13T10:47:20   1.7239e+00 1.0720e-01 - 2.9048e-01 C
    9 2020-04-13T10:47:20   1.5375e+00 1.0124e-01 - 3.8551e-01 C
   10 2020-04-13T10:47:20   3.0640e+00 1.4292e-01 - 3.6758e-01 C
   11 2020-04-13T10:47:20   1.2488e+00 9.1245e-02 - 3.6602e-01 C
   12 2020-04-13T10:47:20   1.5085e+00 1.0028e-01 - 3.2087e-01 C
   13 2020-04-13T10:47:20   1.1309e+00 8.6831e-02 - 3.4588e-01 C
   14 2020-04-13T10:47:20   9.5527e-01 7.9803e-02 - 3.2720e-01 C
   15 2020-04-13T10:47:20   6.5548e-01 6.6105e-02 - 2.7252e-01 C
   16 2020-04-13T10:47:20   5.9124e-01 6.2782e-02 - 1.7751e-01 C
   17 2020-04-13T10:47:20   4.6194e-01 5.5494e-02 - 2.1423e-01 C
   18 2020-04-13T10:47:20   5.4711e-01 6.0394e-02 - 1.6867e-01 C
   19 2020-04-13T10:47:20   3.4409e-01 4.7895e-02 C 1.7523e-01 C
...optimization successful. 0.1 min.
Amp successfully trained. Saving current parameters.
Parameters saved in file "calc.amp".
This file can be opened with `calc = Amp.load('calc.amp')`
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.
Calculation requested.
Calculating potential energy...
Cutoff function: <Cosine cutoff with Rc=6.500 from amp.descriptor.cutoffs>
2 unique elements included: H, O
Number of symmetry functions for each element:
  H: 20
  O: 20
H feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
O feature vector functions:
 0: G2, H, eta = 0.05
 1: G2, O, eta = 0.05
 2: G2, H, eta = 4.0
 3: G2, O, eta = 4.0
 4: G2, H, eta = 20.0
 5: G2, O, eta = 20.0
 6: G2, H, eta = 80.0
 7: G2, O, eta = 80.0
 8: G4, (H, H), eta=0.005, gamma=1.0, zeta=1.0
 9: G4, (H, O), eta=0.005, gamma=1.0, zeta=1.0
 10: G4, (O, O), eta=0.005, gamma=1.0, zeta=1.0
 11: G4, (H, H), eta=0.005, gamma=-1.0, zeta=1.0
 12: G4, (H, O), eta=0.005, gamma=-1.0, zeta=1.0
 13: G4, (O, O), eta=0.005, gamma=-1.0, zeta=1.0
 14: G4, (H, H), eta=0.005, gamma=1.0, zeta=4.0
 15: G4, (H, O), eta=0.005, gamma=1.0, zeta=4.0
 16: G4, (O, O), eta=0.005, gamma=1.0, zeta=4.0
 17: G4, (H, H), eta=0.005, gamma=-1.0, zeta=4.0
 18: G4, (H, O), eta=0.005, gamma=-1.0, zeta=4.0
 19: G4, (O, O), eta=0.005, gamma=-1.0, zeta=4.0
Calculating neighborlists...
 Data stored in file calc-neighborlists.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...neighborlists calculated. 0.0 min.
Fingerprinting images...
 Data stored in file calc-fingerprints.
 File exists with 150 total images, 1 of which are needed.
 0 new calculations needed.
...fingerprints calculated. 0.0 min.
...potential energy calculated. 0.0 min.