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 14:17:36     -155.799780        1.7484
BFGS:    1 14:17:36     -156.258823        0.8557
BFGS:    2 14:17:36     -156.499197        0.3945
BFGS:    3 14:17:37     -156.523734        0.2397
BFGS:    4 14:17:37     -156.536768        0.1357
BFGS:    5 14:17:37     -156.543605        0.1048
BFGS:    6 14:17:38     -156.545320        0.1021
BFGS:    7 14:17:38     -156.546088        0.0972
BFGS:    8 14:17:38     -156.547772        0.0809
BFGS:    9 14:17:39     -156.550154        0.0789
BFGS:   10 14:17:39     -156.552310        0.0586
BFGS:   11 14:17:39     -156.553050        0.0192
BFGS:   12 14:17:40     -156.553137        0.0018
BFGS:   13 14:17:40     -156.553139        0.0001
BFGS:   14 14:17:40     -156.553139        0.0000
BFGS:   15 14:17:41     -156.553139        0.0000
BFGS:   16 14:17:41     -156.553139        0.0000
BFGS:   17 14:17:41     -156.553139        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.925149004839887e-09 eV/Angstrom
Maximum stress component: 2.332092556577333e-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, 8.290381151706715e-33, -3.23101229386343e-33], [2.541564273374559e-32, 5.197369057588107, -1.8586706227892867e-19], [-1.1296102054503143e-33, -1.8586706227892814e-19, 5.197369057588107]])
forces =  [[ 4.92514900e-09  4.92514900e-09  4.92514900e-09]
 [-4.92514900e-09 -4.92514900e-09  4.92514900e-09]
 [-4.92514900e-09  4.92514900e-09 -4.92514900e-09]
 [ 4.92514900e-09 -4.92514900e-09 -4.92514900e-09]
 [ 4.92514900e-09  4.92514900e-09 -4.92514900e-09]
 [-4.92514900e-09 -4.92514900e-09 -4.92514900e-09]
 [ 4.92514900e-09 -4.92514900e-09  4.92514900e-09]
 [-4.92514900e-09  4.92514900e-09  4.92514900e-09]
 [-9.60937795e-32 -1.08736841e-10 -1.08736841e-10]
 [-8.54166929e-32  1.08736841e-10 -1.08736841e-10]
 [-1.28125039e-31 -1.08736841e-10  1.08736841e-10]
 [-4.27083465e-32  1.08736841e-10  1.08736841e-10]
 [-1.08736841e-10  3.80854260e-30 -1.08736841e-10]
 [-1.08736841e-10 -4.04877705e-30  1.08736841e-10]
 [ 1.08736841e-10  3.80320406e-30 -1.08736841e-10]
 [ 1.08736841e-10 -3.97403744e-30  1.08736841e-10]
 [-1.08736841e-10 -1.08736841e-10  3.80320406e-30]
 [ 1.08736841e-10 -1.08736841e-10  3.73914154e-30]
 [-1.08736841e-10  1.08736841e-10 -3.95802181e-30]
 [ 1.08736841e-10  1.08736841e-10 -3.97403744e-30]]
stress =  [ 2.33209256e-10  2.33209256e-10  2.33209256e-10  2.61063671e-26
 -9.73446450e-33 -1.35525447e-48]
energy per atom =  -0.46509850166808775
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0