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:
DUNN_WenTadmor_2019v1_C__MO_584345505904_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 12:58:27     -154.499969         1.291213
BFGS:    1 12:58:30     -154.807487         1.030997
BFGS:    2 12:58:32     -155.271691         0.692560
BFGS:    3 12:58:35     -155.324926         0.668048
BFGS:    4 12:58:38     -155.477467         0.489864
BFGS:    5 12:58:40     -155.520287         0.296088
BFGS:    6 12:58:43     -155.528876         0.264191
BFGS:    7 12:58:46     -155.557126         0.117963
BFGS:    8 12:58:48     -155.563160         0.069251
BFGS:    9 12:58:52     -155.564232         0.017084
BFGS:   10 12:58:55     -155.564305         0.001662
BFGS:   11 12:58:57     -155.564307         0.000134
BFGS:   12 12:59:00     -155.564307         0.000008
BFGS:   13 12:59:03     -155.564307         0.000000
BFGS:   14 12:59:05     -155.564307         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.601156408802623e-10 eV/Angstrom
Maximum stress component: 1.0423057158476355e-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 =  [[0.2713985  0.2713985  0.2713985 ]
 [0.7286015  0.7286015  0.2713985 ]
 [0.7286015  0.2713985  0.7286015 ]
 [0.2713985  0.7286015  0.7286015 ]
 [0.2713985  0.2713985  0.7286015 ]
 [0.7286015  0.7286015  0.7286015 ]
 [0.2713985  0.7286015  0.2713985 ]
 [0.7286015  0.2713985  0.2713985 ]
 [0.5        0.16007406 0.16007406]
 [0.5        0.83992594 0.16007406]
 [0.5        0.16007406 0.83992594]
 [0.5        0.83992594 0.83992594]
 [0.16007406 0.5        0.16007406]
 [0.16007406 0.5        0.83992594]
 [0.83992594 0.5        0.16007406]
 [0.83992594 0.5        0.83992594]
 [0.16007406 0.16007406 0.5       ]
 [0.83992594 0.16007406 0.5       ]
 [0.16007406 0.83992594 0.5       ]
 [0.83992594 0.83992594 0.5       ]]
cellpar =  Cell([[5.268917307785593, 1.086885030106101e-32, -9.301476680927279e-34], [2.3644413459024932e-32, 5.268917307785593, 5.200565785442583e-19], [-2.3469984640740557e-32, 5.20056578544285e-19, 5.268917307785593]])
forces =  [[-3.90801320e-10 -3.90801320e-10 -3.90801320e-10]
 [ 3.90801320e-10  3.90801320e-10 -3.90801320e-10]
 [ 3.90801320e-10 -3.90801320e-10  3.90801320e-10]
 [-3.90801320e-10  3.90801320e-10  3.90801320e-10]
 [-3.90801320e-10 -3.90801320e-10  3.90801320e-10]
 [ 3.90801320e-10  3.90801320e-10  3.90801320e-10]
 [-3.90801320e-10  3.90801320e-10 -3.90801320e-10]
 [ 3.90801320e-10 -3.90801320e-10 -3.90801320e-10]
 [ 4.32962800e-32 -5.60115641e-10 -5.60115641e-10]
 [-4.32962800e-32  5.60115641e-10 -5.60115641e-10]
 [-8.65925599e-32 -5.60115641e-10  5.60115641e-10]
 [ 1.85427676e-44  5.60115641e-10  5.60115641e-10]
 [-5.60115641e-10 -5.52849488e-29 -5.60115641e-10]
 [-5.60115641e-10  5.52849488e-29  5.60115641e-10]
 [ 5.60115641e-10 -5.53282451e-29 -5.60115641e-10]
 [ 5.60115641e-10  5.52849488e-29  5.60115641e-10]
 [-5.60115641e-10 -5.60115641e-10 -5.52849488e-29]
 [ 5.60115641e-10 -5.60115641e-10 -5.53282451e-29]
 [-5.60115641e-10  5.60115641e-10  5.52416526e-29]
 [ 5.60115641e-10  5.60115641e-10  5.52849488e-29]]
stress =  [-1.04230572e-10 -1.04230572e-10 -1.04230572e-10  3.30881232e-26
  2.36797123e-33 -7.83937698e-49]
energy per atom =  -0.38386483853261666
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0