element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:56     -128.107648        3.6116
BFGS:    1 14:18:57     -129.004515        0.4098
BFGS:    2 14:18:57     -129.025488        0.2803
BFGS:    3 14:18:57     -129.035493        0.2676
BFGS:    4 14:18:57     -129.052593        0.2536
BFGS:    5 14:18:57     -129.071028        0.2642
BFGS:    6 14:18:57     -129.080999        0.1651
BFGS:    7 14:18:57     -129.087045        0.1451
BFGS:    8 14:18:57     -129.093470        0.1481
BFGS:    9 14:18:57     -129.099800        0.1779
BFGS:   10 14:18:57     -129.103892        0.1013
BFGS:   11 14:18:57     -129.104711        0.0220
BFGS:   12 14:18:57     -129.104760        0.0013
BFGS:   13 14:18:57     -129.104761        0.0002
BFGS:   14 14:18:57     -129.104761        0.0000
BFGS:   15 14:18:57     -129.104761        0.0000
BFGS:   16 14:18:57     -129.104761        0.0000
BFGS:   17 14:18:57     -129.104761        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.1974438097215345e-09 eV/Angstrom
Maximum stress component: 1.039267492753224e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.25872631 0.25872631 0.25872631]
 [0.74127369 0.74127369 0.25872631]
 [0.74127369 0.25872631 0.74127369]
 [0.25872631 0.74127369 0.74127369]
 [0.25872631 0.25872631 0.74127369]
 [0.74127369 0.74127369 0.74127369]
 [0.25872631 0.74127369 0.25872631]
 [0.74127369 0.25872631 0.25872631]
 [0.5        0.15764528 0.15764528]
 [0.5        0.84235472 0.15764528]
 [0.5        0.15764528 0.84235472]
 [0.5        0.84235472 0.84235472]
 [0.15764528 0.5        0.15764528]
 [0.15764528 0.5        0.84235472]
 [0.84235472 0.5        0.15764528]
 [0.84235472 0.5        0.84235472]
 [0.15764528 0.15764528 0.5       ]
 [0.84235472 0.15764528 0.5       ]
 [0.15764528 0.84235472 0.5       ]
 [0.84235472 0.84235472 0.5       ]]
cellpar =  Cell([[5.176033155507205, 7.653753017574393e-33, -1.1969694154028532e-32], [2.0106159988589862e-32, 5.176033155507205, -6.7201741662004055e-19], [1.2181145818202535e-32, -6.720174166200492e-19, 5.176033155507205]])
forces =  [[ 7.64283139e-10  7.64283139e-10  7.64283139e-10]
 [-7.64283139e-10 -7.64283139e-10  7.64283139e-10]
 [-7.64283139e-10  7.64283139e-10 -7.64283139e-10]
 [ 7.64283139e-10 -7.64283139e-10 -7.64283139e-10]
 [ 7.64283139e-10  7.64283139e-10 -7.64283139e-10]
 [-7.64283139e-10 -7.64283139e-10 -7.64283139e-10]
 [ 7.64283139e-10 -7.64283139e-10  7.64283139e-10]
 [-7.64283139e-10  7.64283139e-10  7.64283139e-10]
 [ 2.12665114e-32 -3.19744381e-09 -3.19744381e-09]
 [ 4.25330229e-32  3.19744381e-09 -3.19744381e-09]
 [-4.89559992e-42 -3.19744381e-09  3.19744381e-09]
 [ 4.25330229e-32  3.19744381e-09  3.19744381e-09]
 [-3.19744381e-09  4.15153447e-28 -3.19744381e-09]
 [-3.19744381e-09 -4.15047114e-28  3.19744381e-09]
 [ 3.19744381e-09  4.15110914e-28 -3.19744381e-09]
 [ 3.19744381e-09 -4.15110914e-28  3.19744381e-09]
 [-3.19744381e-09 -3.19744381e-09  4.15153447e-28]
 [ 3.19744381e-09 -3.19744381e-09  4.15174713e-28]
 [-3.19744381e-09  3.19744381e-09 -4.15153447e-28]
 [ 3.19744381e-09  3.19744381e-09 -4.15047114e-28]]
stress =  [ 1.03926749e-10  1.03926749e-10  1.03926749e-10 -1.17175101e-28
 -2.45372048e-33  4.10127683e-51]
energy per atom =  -6.455238050332864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0