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 17:33:05     -154.499969         1.291213
BFGS:    1 17:33:06     -154.807487         1.030997
BFGS:    2 17:33:07     -155.271691         0.692560
BFGS:    3 17:33:07     -155.324926         0.668048
BFGS:    4 17:33:08     -155.477467         0.489864
BFGS:    5 17:33:09     -155.520287         0.296088
BFGS:    6 17:33:09     -155.528876         0.264191
BFGS:    7 17:33:10     -155.557126         0.117963
BFGS:    8 17:33:10     -155.563160         0.069251
BFGS:    9 17:33:11     -155.564232         0.017084
BFGS:   10 17:33:12     -155.564305         0.001662
BFGS:   11 17:33:13     -155.564307         0.000134
BFGS:   12 17:33:13     -155.564307         0.000008
BFGS:   13 17:33:14     -155.564307         0.000000
BFGS:   14 17:33:15     -155.564307         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.601233686938768e-10 eV/Angstrom
Maximum stress component: 1.0422603355412655e-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([[5.268917307785594, -3.197738083231218e-32, 6.0422045178369266e-33], [-1.7134309847568957e-32, 5.268917307785594, -1.4956842538443234e-18], [-4.9060906010600397e-32, -1.495684253844273e-18, 5.268917307785594]])
forces =  [[-3.90802374e-10 -3.90802374e-10 -3.90802374e-10]
 [ 3.90802374e-10  3.90802374e-10 -3.90802374e-10]
 [ 3.90802374e-10 -3.90802374e-10  3.90802374e-10]
 [-3.90802374e-10  3.90802374e-10  3.90802374e-10]
 [-3.90802374e-10 -3.90802374e-10  3.90802374e-10]
 [ 3.90802374e-10  3.90802374e-10  3.90802374e-10]
 [-3.90802374e-10  3.90802374e-10 -3.90802374e-10]
 [ 3.90802374e-10 -3.90802374e-10 -3.90802374e-10]
 [-2.27305470e-31 -5.60123369e-10 -5.60123369e-10]
 [-8.65925599e-32  5.60123369e-10 -5.60123369e-10]
 [ 2.38129540e-31 -5.60123369e-10  5.60123369e-10]
 [ 4.32962800e-32  5.60123369e-10  5.60123369e-10]
 [-5.60123369e-10  1.58742092e-28 -5.60123369e-10]
 [-5.60123369e-10 -1.58915277e-28  5.60123369e-10]
 [ 5.60123369e-10  1.59175055e-28 -5.60123369e-10]
 [ 5.60123369e-10 -1.59025547e-28  5.60123369e-10]
 [-5.60123369e-10 -5.60123369e-10  1.58958573e-28]
 [ 5.60123369e-10 -5.60123369e-10  1.59077638e-28]
 [-5.60123369e-10  5.60123369e-10 -1.58828684e-28]
 [ 5.60123369e-10  5.60123369e-10 -1.58958573e-28]]
stress =  [-1.04226034e-10 -1.04226034e-10 -1.04226034e-10  4.08233802e-26
 -1.18398562e-33  4.44238110e-49]
energy per atom =  -0.3838648385326195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0