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:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== 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 21:07:51      -87.965239         1.548615
BFGS:    1 21:07:51      -88.031026         1.425466
BFGS:    2 21:07:51      -88.159798         1.153546
BFGS:    3 21:07:51      -88.261928         0.890202
BFGS:    4 21:07:51      -88.337991         0.635357
BFGS:    5 21:07:51      -88.389176         0.388627
BFGS:    6 21:07:51      -88.416018         0.149952
BFGS:    7 21:07:51      -88.420903         0.061791
BFGS:    8 21:07:51      -88.421015         0.012429
BFGS:    9 21:07:51      -88.421020         0.002332
BFGS:   10 21:07:51      -88.421020         0.002331
BFGS:   11 21:07:51      -88.421035         0.013341
BFGS:   12 21:07:51      -88.421059         0.024678
BFGS:   13 21:07:51      -88.421123         0.041971
BFGS:   14 21:07:51      -88.421231         0.052963
BFGS:   15 21:07:51      -88.421343         0.046152
BFGS:   16 21:07:51      -88.421429         0.021345
BFGS:   17 21:07:51      -88.421443         0.004261
BFGS:   18 21:07:51      -88.421444         0.000781
BFGS:   19 21:07:51      -88.421444         0.000093
BFGS:   20 21:07:51      -88.421444         0.000018
BFGS:   21 21:07:52      -88.421444         0.000001
BFGS:   22 21:07:52      -88.421444         0.000000
Minimization converged after 22 steps.
Maximum force component: 5.90929888163929e-09 eV/Angstrom
Maximum stress component: 2.343701494638437e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.11565991e-34 0.00000000e+00 2.50000000e-01]
 [1.25984503e-34 1.67532762e-34 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([[2.530404557932183, 5.5551578618439686e-18, 6.887155562553089e-22], [-1.2652022789660915, 2.1913946290212025, 1.3774311125163332e-21], [9.520571321598796e-21, 2.74835220768205e-20, 34.97444711086398]])
forces =  [[-1.99613723e-30  1.15247037e-30  3.62200518e-52]
 [ 1.82979246e-30 -1.15247037e-30 -4.07475583e-52]
 [-9.98068615e-31  5.76235184e-31  1.81100259e-52]
 [ 9.98068615e-31 -5.76235184e-31 -1.81100259e-52]
 [-3.81855523e-30 -2.95592689e-30 -5.77815508e-09]
 [ 8.39098304e-31 -8.71827873e-30 -5.77815508e-09]
 [ 3.83934833e-30  2.91991219e-30  5.77815508e-09]
 [-8.39098304e-31  8.71827873e-30  5.77815508e-09]
 [-3.23046167e-30 -1.83448218e-30 -5.90929888e-09]
 [-4.44186783e-31 -4.35551111e-30 -5.90929888e-09]
 [ 2.56508259e-30  2.98695254e-30  5.90929888e-09]
 [ 4.44186783e-31  4.35551111e-30  5.90929888e-09]]
stress =  [ 2.34370149e-11  2.34370149e-11 -1.14590806e-11  4.33575317e-28
  1.50194894e-28 -6.57804623e-27]
energy per atom =  -7.368453637219575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0