element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:51:26      -62.941224         2.137257
BFGS:    1 12:51:28      -63.123659         1.247402
BFGS:    2 12:51:31      -63.181562         1.097247
BFGS:    3 12:51:33      -63.270446         0.766934
BFGS:    4 12:51:36      -63.323685         0.427877
BFGS:    5 12:51:38      -63.342179         0.174752
BFGS:    6 12:51:40      -63.343483         0.189884
BFGS:    7 12:51:42      -63.345326         0.176553
BFGS:    8 12:51:44      -63.347565         0.179542
BFGS:    9 12:51:46      -63.350621         0.198965
BFGS:   10 12:51:47      -63.352318         0.109451
BFGS:   11 12:51:49      -63.352697         0.024182
BFGS:   12 12:51:51      -63.352724         0.003982
BFGS:   13 12:51:53      -63.352725         0.003522
BFGS:   14 12:51:55      -63.352725         0.003286
BFGS:   15 12:51:57      -63.352726         0.002726
BFGS:   16 12:51:59      -63.352728         0.002932
BFGS:   17 12:52:01      -63.352729         0.003718
BFGS:   18 12:52:03      -63.352730         0.002715
BFGS:   19 12:52:05      -63.352731         0.000940
BFGS:   20 12:52:07      -63.352731         0.000143
BFGS:   21 12:52:10      -63.352731         0.000033
BFGS:   22 12:52:12      -63.352731         0.000005
BFGS:   23 12:52:15      -63.352731         0.000001
BFGS:   24 12:52:17      -63.352731         0.000000
BFGS:   25 12:52:20      -63.352731         0.000000
Minimization converged after 25 steps.
Maximum force component: 5.028688321735134e-09 eV/Angstrom
Maximum stress component: 4.4516503547427195e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90442824e-01 0.00000000e+00 0.00000000e+00]
 [4.09557176e-01 0.00000000e+00 6.44317841e-37]
 [9.04428244e-02 5.00000000e-01 0.00000000e+00]
 [9.09557176e-01 5.00000000e-01 0.00000000e+00]
 [6.91203938e-01 6.58116141e-37 5.00000000e-01]
 [3.08796062e-01 0.00000000e+00 5.00000000e-01]
 [1.91203938e-01 5.00000000e-01 5.00000000e-01]
 [8.08796062e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.587671678187335, -1.1087556101399812e-37, 0.0], [-7.2024048623139685e-37, 2.6509516611549144, 0.0], [0.0, 0.0, 2.4764023614126947]])
forces =  [[-6.09116731e-10  8.16887550e-33  6.10480315e-32]
 [ 6.09116731e-10 -8.90077512e-48 -6.10480315e-32]
 [-6.09116731e-10  8.90077512e-48  3.05240158e-32]
 [ 6.09116731e-10 -2.04221887e-33 -3.05240158e-32]
 [-5.02868832e-09  1.63377510e-32  3.05240158e-32]
 [ 5.02868832e-09 -8.16887550e-33  0.00000000e+00]
 [-5.02868832e-09 -8.16887550e-33  4.19705217e-32]
 [ 5.02868832e-09 -7.34821777e-47  0.00000000e+00]]
stress =  [ 3.24300132e-10 -6.21733065e-11 -4.45165035e-10  0.00000000e+00
  0.00000000e+00  9.01714158e-47]
energy per atom =  -0.6053660945750101
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0