element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:21:28      -95.764819         0.515810
BFGS:    1 15:21:29      -95.779409         0.476021
BFGS:    2 15:21:29      -95.810698         0.303546
BFGS:    3 15:21:29      -95.815060         0.249689
BFGS:    4 15:21:29      -95.823442         0.119898
BFGS:    5 15:21:30      -95.826603         0.060477
BFGS:    6 15:21:30      -95.827518         0.055143
BFGS:    7 15:21:30      -95.827712         0.050824
BFGS:    8 15:21:30      -95.827997         0.055097
BFGS:    9 15:21:31      -95.828455         0.053637
BFGS:   10 15:21:31      -95.829040         0.039708
BFGS:   11 15:21:31      -95.829475         0.037270
BFGS:   12 15:21:32      -95.829659         0.025052
BFGS:   13 15:21:32      -95.829710         0.010704
BFGS:   14 15:21:32      -95.829723         0.003745
BFGS:   15 15:21:32      -95.829726         0.001300
BFGS:   16 15:21:33      -95.829726         0.000438
BFGS:   17 15:21:33      -95.829726         0.000333
BFGS:   18 15:21:33      -95.829726         0.000158
BFGS:   19 15:21:33      -95.829726         0.000029
BFGS:   20 15:21:34      -95.829726         0.000006
BFGS:   21 15:21:34      -95.829726         0.000000
BFGS:   22 15:21:34      -95.829726         0.000000
BFGS:   23 15:21:34      -95.829726         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.8854764672032297e-09 eV/Angstrom
Maximum stress component: 2.1076294037909524e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.71696197e-35 6.96700856e-36 1.86043966e-01]
 [3.07489738e-35 2.11344691e-35 6.86043966e-01]
 [0.00000000e+00 0.00000000e+00 8.13956034e-01]
 [0.00000000e+00 0.00000000e+00 3.13956034e-01]
 [3.33333333e-01 6.66666667e-01 5.21125627e-01]
 [6.66666667e-01 3.33333333e-01 2.11256272e-02]
 [6.66666667e-01 3.33333333e-01 4.78874373e-01]
 [3.33333333e-01 6.66666667e-01 9.78874373e-01]
 [3.33333333e-01 6.66666667e-01 6.46376905e-01]
 [6.66666667e-01 3.33333333e-01 1.46376905e-01]
 [6.66666667e-01 3.33333333e-01 3.53623095e-01]
 [3.33333333e-01 6.66666667e-01 8.53623095e-01]]
cellpar =  Cell([[2.5126292281777576, -2.4647916188922327e-18, 1.1444145973157586e-36], [-1.2563146140888788, 2.176000741893225, 2.8387420709221827e-36], [5.818773605078663e-36, 1.5721433036033119e-35, 12.284491014879054]])
forces =  [[ 9.29116391e-32 -8.94042664e-32  1.88547647e-09]
 [-4.12940618e-32  3.57617066e-32  1.88547647e-09]
 [-4.12940618e-32 -2.41295259e-45 -1.88547647e-09]
 [ 5.67793350e-32  8.94042664e-33 -1.88547647e-09]
 [-4.12940618e-32 -1.43046826e-31  7.88705175e-11]
 [-3.20028979e-31  1.25165973e-31  7.88705175e-11]
 [ 4.12940618e-32  1.43046826e-31 -7.88705175e-11]
 [ 6.19410927e-32  3.57617066e-32 -7.88705175e-11]
 [-2.06470309e-32 -1.43046826e-31 -7.19326586e-10]
 [-8.25881236e-32  1.43046826e-31 -7.19326586e-10]
 [-2.89058433e-31  1.07285120e-31  7.19326586e-10]
 [ 6.19410927e-32  9.20518262e-46  7.19326586e-10]]
stress =  [-5.64463492e-11 -5.64463492e-11 -2.10762940e-10 -6.14812927e-32
 -3.83359401e-32  8.22659504e-27]
energy per atom =  -0.6720852541717939
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0