element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:15      -87.965239        1.5486
BFGS:    1 14:29:15      -88.031026        1.4255
BFGS:    2 14:29:16      -88.159798        1.1535
BFGS:    3 14:29:16      -88.261928        0.8902
BFGS:    4 14:29:16      -88.337991        0.6354
BFGS:    5 14:29:16      -88.389176        0.3886
BFGS:    6 14:29:16      -88.416018        0.1500
BFGS:    7 14:29:16      -88.420903        0.0618
BFGS:    8 14:29:16      -88.421015        0.0124
BFGS:    9 14:29:16      -88.421020        0.0023
BFGS:   10 14:29:16      -88.421020        0.0023
BFGS:   11 14:29:16      -88.421035        0.0133
BFGS:   12 14:29:16      -88.421059        0.0247
BFGS:   13 14:29:16      -88.421123        0.0420
BFGS:   14 14:29:16      -88.421231        0.0530
BFGS:   15 14:29:16      -88.421343        0.0462
BFGS:   16 14:29:16      -88.421429        0.0213
BFGS:   17 14:29:16      -88.421443        0.0043
BFGS:   18 14:29:16      -88.421444        0.0008
BFGS:   19 14:29:16      -88.421444        0.0001
BFGS:   20 14:29:16      -88.421444        0.0000
BFGS:   21 14:29:16      -88.421444        0.0000
BFGS:   22 14:29:16      -88.421444        0.0000
Minimization converged after 22 steps.
Maximum force component: 5.909273867523402e-09 eV/Angstrom
Maximum stress component: 2.3438740251165042e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 9.68977914e-35 2.50000000e-01]
 [2.31056615e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.71195560e-01]
 [6.66666667e-01 3.33333333e-01 3.71195560e-01]
 [6.66666667e-01 3.33333333e-01 1.28804440e-01]
 [3.33333333e-01 6.66666667e-01 6.28804440e-01]
 [3.33333333e-01 6.66666667e-01 1.28805890e-01]
 [6.66666667e-01 3.33333333e-01 6.28805890e-01]
 [6.66666667e-01 3.33333333e-01 8.71194110e-01]
 [3.33333333e-01 6.66666667e-01 3.71194110e-01]]
cellpar =  Cell([[2.5304045579321803, 1.761577808951348e-18, 4.98900918482498e-23], [-1.2652022789660902, 2.1913946290211985, 9.978018369703144e-23], [6.89663785104047e-22, 1.9908878599008028e-21, 34.97444708956113]])
forces =  [[-5.53435056e-57 -1.59762939e-56 -2.80659729e-34]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.99227446e-30 -2.30494073e-30 -5.24751240e-53]
 [-2.66151631e-30  2.30494073e-30  7.87126860e-53]
 [-5.43697200e-30  7.73837790e-30 -5.77812995e-09]
 [-1.13939384e-31 -3.28914671e-31 -5.77812995e-09]
 [ 1.44469754e-30  1.48138504e-30  5.77812995e-09]
 [-5.87447231e-30  1.48138504e-30  5.77812995e-09]
 [ 5.48853655e-31  3.12103118e-30 -5.90927387e-09]
 [ 5.87188627e-30 -6.09873175e-30 -5.90927387e-09]
 [ 1.00972116e-29 -3.12103118e-30  5.90927387e-09]
 [ 1.16525421e-31 -4.27350155e-30  5.90927387e-09]]
stress =  [ 2.34387403e-11  2.34387403e-11 -1.14590903e-11  3.14079293e-29
  1.08800264e-29 -5.84022820e-27]
energy per atom =  -7.368453637219576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0