element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:50:28      -63.315706         1.438366
BFGS:    1 10:50:29      -63.534205         1.097958
BFGS:    2 10:50:31      -63.634254         0.751796
BFGS:    3 10:50:32      -63.673865         0.523962
BFGS:    4 10:50:34      -63.711244         0.288468
BFGS:    5 10:50:36      -63.724184         0.122267
BFGS:    6 10:50:37      -63.725857         0.072660
BFGS:    7 10:50:39      -63.726021         0.057674
BFGS:    8 10:50:41      -63.726123         0.044185
BFGS:    9 10:50:42      -63.726323         0.027948
BFGS:   10 10:50:44      -63.726579         0.025087
BFGS:   11 10:50:46      -63.726755         0.014111
BFGS:   12 10:50:47      -63.726800         0.005353
BFGS:   13 10:50:49      -63.726803         0.000775
BFGS:   14 10:50:51      -63.726804         0.000027
BFGS:   15 10:50:52      -63.726804         0.000002
BFGS:   16 10:50:54      -63.726804         0.000000
BFGS:   17 10:50:56      -63.726804         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.1717498528443017e-09 eV/Angstrom
Maximum stress component: 2.2266275302345066e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81431788 0.81431788 0.        ]
 [0.18568212 0.18568212 0.        ]
 [0.18568212 0.81431788 0.        ]
 [0.81431788 0.18568212 0.        ]
 [0.31431788 0.31431788 0.5       ]
 [0.68568212 0.68568212 0.5       ]
 [0.68568212 0.31431788 0.5       ]
 [0.31431788 0.68568212 0.5       ]]
cellpar =  Cell([[4.3011080345543835, 1.905145706360373e-35, 3.7482711827915846e-33], [7.786810676256434e-36, 4.301108034554382, 5.1420369384101445e-18], [8.064431310586198e-34, 2.932526593282965e-18, 2.4757439440675206]])
forces =  [[-1.17174985e-09 -1.17174985e-09 -1.40084964e-27]
 [ 1.17174985e-09  1.17174985e-09  1.40086680e-27]
 [ 1.17174985e-09 -1.17174985e-09 -1.40086299e-27]
 [-1.17174985e-09  1.17174985e-09  1.40082103e-27]
 [-1.17174985e-09 -1.17174985e-09 -1.40084201e-27]
 [ 1.17174985e-09  1.17174985e-09  1.40087443e-27]
 [ 1.17174985e-09 -1.17174985e-09 -1.40085155e-27]
 [-1.17174985e-09  1.17174985e-09  1.40081340e-27]]
stress =  [-2.02387564e-10 -2.02387564e-10 -2.22662753e-10  6.37568343e-26
 -1.38904280e-32  1.54214730e-48]
energy per atom =  -0.652125167913093
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0