element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:49:05      -58.879422         2.268720
BFGS:    1 14:49:05      -58.754976         5.078345
BFGS:    2 14:49:05      -58.947577         0.534174
BFGS:    3 14:49:05      -58.950358         0.497703
BFGS:    4 14:49:05      -58.953727         0.215725
BFGS:    5 14:49:05      -58.954924         0.161706
BFGS:    6 14:49:05      -58.958733         0.132595
BFGS:    7 14:49:05      -58.959815         0.097826
BFGS:    8 14:49:05      -58.959963         0.023105
BFGS:    9 14:49:05      -58.959975         0.011540
BFGS:   10 14:49:05      -58.959981         0.009837
BFGS:   11 14:49:05      -58.959992         0.016604
BFGS:   12 14:49:05      -58.959998         0.011800
BFGS:   13 14:49:05      -58.960000         0.003312
BFGS:   14 14:49:05      -58.960000         0.000299
BFGS:   15 14:49:05      -58.960000         0.000010
BFGS:   16 14:49:05      -58.960000         0.000001
BFGS:   17 14:49:05      -58.960000         0.000000
BFGS:   18 14:49:05      -58.960000         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0885439962610155e-09 eV/Angstrom
Maximum stress component: 5.0296877534156757e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 3.57889654e-35 9.37500000e-02]
 [4.47471519e-35 0.00000000e+00 5.93750000e-01]
 [5.53792829e-35 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 6.21779912e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5222498827381576, 1.0042205640397553e-18, -1.2409472983189674e-37], [-1.2611249413690788, 2.1843324731435665, -2.257382552589932e-37], [-1.0793331708839379e-36, -1.8257225729013059e-37, 8.237633621985971]])
forces =  [[-6.63234775e-31 -3.17061098e-48  1.31143001e-10]
 [-6.63234775e-31  5.74378164e-31  1.31143001e-10]
 [ 1.71829675e-47  2.90654754e-48 -1.31143001e-10]
 [-4.97426081e-31  2.87189082e-31 -1.31143001e-10]
 [-9.94852163e-31  1.14875633e-30  1.08854400e-09]
 [-7.46139122e-31  4.30783623e-31  1.08854400e-09]
 [-8.29043469e-31  8.61567246e-31 -1.08854400e-09]
 [-9.94852163e-31  5.74378164e-31 -1.08854400e-09]]
stress =  [-4.16854589e-11 -4.16854589e-11  5.02968775e-11  1.09602189e-32
  6.32788533e-33 -2.05475090e-26]
energy per atom =  -7.369999999987208
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0