element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:55:46      -32.388824         0.087865
BFGS:    1 10:55:46      -32.389022         0.087844
BFGS:    2 10:55:46      -32.389970         0.087573
BFGS:    3 10:55:46      -32.390257         0.087404
BFGS:    4 10:55:47      -32.392943         0.185066
BFGS:    5 10:55:47      -32.395953         0.248591
BFGS:    6 10:55:47      -32.399013         0.308972
BFGS:    7 10:55:47      -32.402064         0.367792
BFGS:    8 10:55:47      -32.405037         0.426070
BFGS:    9 10:55:47      -32.407876         0.484367
BFGS:   10 10:55:48      -32.410564         0.542674
BFGS:   11 10:55:48      -32.413159         0.600009
BFGS:   12 10:55:48      -32.415750         0.654572
BFGS:   13 10:55:48      -32.418461         0.702531
BFGS:   14 10:55:48      -32.421448         0.738132
BFGS:   15 10:55:48      -32.424795         0.755035
BFGS:   16 10:55:48      -32.428450         0.747297
BFGS:   17 10:55:48      -32.432225         0.710750
BFGS:   18 10:55:49      -32.435981         0.642966
BFGS:   19 10:55:49      -32.440189         0.537983
BFGS:   20 10:55:49      -32.444795         0.398088
BFGS:   21 10:55:49      -32.448800         0.241200
BFGS:   22 10:55:49      -32.451769         0.074288
BFGS:   23 10:55:50      -32.452214         0.084149
BFGS:   24 10:55:50      -32.452474         0.015518
BFGS:   25 10:55:50      -32.452496         0.027890
BFGS:   26 10:55:50      -32.452504         0.031922
BFGS:   27 10:55:50      -32.452525         0.037032
BFGS:   28 10:55:50      -32.452563         0.038244
BFGS:   29 10:55:51      -32.452613         0.028619
BFGS:   30 10:55:51      -32.452659         0.008005
BFGS:   31 10:55:51      -32.452665         0.000047
BFGS:   32 10:55:51      -32.452665         0.000002
BFGS:   33 10:55:51      -32.452665         0.000000
Minimization converged after 33 steps.
Maximum force component: 1.7598415327078928e-30 eV/Angstrom
Maximum stress component: 1.9840067592794221e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 3.53586328e-35 2.50000000e-01]
 [3.04551090e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.433670009356794, -5.2566800205905845e-19, -8.29340506331434e-31], [-1.216835004678397, 2.1076200525312934, -1.6586810414878903e-30], [-2.2427205065020167e-30, -6.47417477787702e-30, 6.212668152261785]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.75984153e-30 -8.31309531e-31  2.18078112e-61]
 [-1.11989916e-30  5.54206354e-31 -1.63558583e-61]]
stress =  [-1.98400676e-10 -1.98400676e-10 -1.63107053e-10  6.27558133e-34
 -1.08697687e-33  3.91053693e-26]
energy per atom =  -6.819022419143457
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0