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 17:16:07      -63.315706        1.4384
BFGS:    1 17:16:07      -63.534205        1.0980
BFGS:    2 17:16:07      -63.634254        0.7518
BFGS:    3 17:16:07      -63.673865        0.5240
BFGS:    4 17:16:08      -63.711244        0.2885
BFGS:    5 17:16:08      -63.724184        0.1223
BFGS:    6 17:16:08      -63.725857        0.0727
BFGS:    7 17:16:08      -63.726021        0.0577
BFGS:    8 17:16:08      -63.726123        0.0442
BFGS:    9 17:16:09      -63.726323        0.0279
BFGS:   10 17:16:09      -63.726579        0.0251
BFGS:   11 17:16:09      -63.726755        0.0141
BFGS:   12 17:16:09      -63.726800        0.0054
BFGS:   13 17:16:09      -63.726803        0.0008
BFGS:   14 17:16:10      -63.726804        0.0000
BFGS:   15 17:16:10      -63.726804        0.0000
BFGS:   16 17:16:10      -63.726804        0.0000
BFGS:   17 17:16:10      -63.726804        0.0000
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