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_2019v2_C__MO_956135237832_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 16:37:42     -155.799780         1.748410
BFGS:    1 16:37:43     -156.258823         0.855670
BFGS:    2 16:37:43     -156.499197         0.394461
BFGS:    3 16:37:43     -156.523734         0.239678
BFGS:    4 16:37:44     -156.536768         0.135680
BFGS:    5 16:37:44     -156.543605         0.104799
BFGS:    6 16:37:44     -156.545320         0.102065
BFGS:    7 16:37:45     -156.546088         0.097201
BFGS:    8 16:37:45     -156.547772         0.080919
BFGS:    9 16:37:45     -156.550154         0.078850
BFGS:   10 16:37:46     -156.552310         0.058647
BFGS:   11 16:37:46     -156.553050         0.019193
BFGS:   12 16:37:46     -156.553137         0.001778
BFGS:   13 16:37:47     -156.553139         0.000145
BFGS:   14 16:37:47     -156.553139         0.000010
BFGS:   15 16:37:47     -156.553139         0.000000
BFGS:   16 16:37:48     -156.553139         0.000000
BFGS:   17 16:37:48     -156.553139         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.925146070682748e-09 eV/Angstrom
Maximum stress component: 2.332093859604965e-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 =  [[0.26911141 0.26911141 0.26911141]
 [0.73088859 0.73088859 0.26911141]
 [0.73088859 0.26911141 0.73088859]
 [0.26911141 0.73088859 0.73088859]
 [0.26911141 0.26911141 0.73088859]
 [0.73088859 0.73088859 0.73088859]
 [0.26911141 0.73088859 0.26911141]
 [0.73088859 0.26911141 0.26911141]
 [0.5        0.15873241 0.15873241]
 [0.5        0.84126759 0.15873241]
 [0.5        0.15873241 0.84126759]
 [0.5        0.84126759 0.84126759]
 [0.15873241 0.5        0.15873241]
 [0.15873241 0.5        0.84126759]
 [0.84126759 0.5        0.15873241]
 [0.84126759 0.5        0.84126759]
 [0.15873241 0.15873241 0.5       ]
 [0.84126759 0.15873241 0.5       ]
 [0.15873241 0.84126759 0.5       ]
 [0.84126759 0.84126759 0.5       ]]
cellpar =  Cell([[5.197369057588107, 1.2302164849258852e-32, -3.750560521960411e-35], [2.5963775639901786e-32, 5.197369057588107, -1.9751680631317123e-19], [-1.0901788911732566e-34, -1.9751680631317097e-19, 5.197369057588107]])
forces =  [[ 4.92514607e-09  4.92514607e-09  4.92514607e-09]
 [-4.92514607e-09 -4.92514607e-09  4.92514607e-09]
 [-4.92514607e-09  4.92514607e-09 -4.92514607e-09]
 [ 4.92514607e-09 -4.92514607e-09 -4.92514607e-09]
 [ 4.92514607e-09  4.92514607e-09 -4.92514607e-09]
 [-4.92514607e-09 -4.92514607e-09 -4.92514607e-09]
 [ 4.92514607e-09 -4.92514607e-09  4.92514607e-09]
 [-4.92514607e-09  4.92514607e-09  4.92514607e-09]
 [-4.27083465e-32 -1.08743803e-10 -1.08743803e-10]
 [-2.13541732e-32  1.08743803e-10 -1.08743803e-10]
 [-1.06770866e-31 -1.08743803e-10  1.08743803e-10]
 [-4.27083465e-32  1.08743803e-10  1.08743803e-10]
 [-1.08743803e-10  4.06855313e-30 -1.08743803e-10]
 [-1.08743803e-10 -4.30344903e-30  1.08743803e-10]
 [ 1.08743803e-10  4.04719895e-30 -1.08743803e-10]
 [ 1.08743803e-10 -4.17532399e-30  1.08743803e-10]
 [-1.08743803e-10 -1.08743803e-10  4.04719895e-30]
 [ 1.08743803e-10 -1.08743803e-10  4.04719895e-30]
 [-1.08743803e-10  1.08743803e-10 -4.21803234e-30]
 [ 1.08743803e-10  1.08743803e-10 -4.13261565e-30]]
stress =  [2.33209386e-10 2.33209386e-10 2.33209386e-10 2.82524347e-28
 2.43361613e-33 3.11792031e-51]
energy per atom =  -0.4650985016680892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0