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 10:45:03      -58.879422         2.268720
BFGS:    1 10:45:03      -58.754976         5.078345
BFGS:    2 10:45:03      -58.947577         0.534174
BFGS:    3 10:45:04      -58.950358         0.497703
BFGS:    4 10:45:04      -58.953727         0.215725
BFGS:    5 10:45:04      -58.954924         0.161706
BFGS:    6 10:45:04      -58.958733         0.132595
BFGS:    7 10:45:04      -58.959815         0.097826
BFGS:    8 10:45:04      -58.959963         0.023105
BFGS:    9 10:45:04      -58.959975         0.011540
BFGS:   10 10:45:04      -58.959981         0.009837
BFGS:   11 10:45:04      -58.959992         0.016604
BFGS:   12 10:45:05      -58.959998         0.011800
BFGS:   13 10:45:05      -58.960000         0.003312
BFGS:   14 10:45:05      -58.960000         0.000299
BFGS:   15 10:45:05      -58.960000         0.000010
BFGS:   16 10:45:05      -58.960000         0.000001
BFGS:   17 10:45:05      -58.960000         0.000000
BFGS:   18 10:45:05      -58.960000         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0884576738187655e-09 eV/Angstrom
Maximum stress component: 5.028796841049311e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 5.70291079e-35 9.37500000e-02]
 [0.00000000e+00 1.67933449e-36 5.93750000e-01]
 [3.29725481e-35 7.33344694e-35 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 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([[2.522249882738159, 1.0845512977733898e-18, 9.505231212288881e-38], [-1.2611249413690795, 2.1843324731435674, 1.9337301457552773e-37], [2.061027895702691e-37, 1.3762190920554217e-36, 8.23763362198597]])
forces =  [[ 7.46139122e-31 -4.30783623e-31  1.31167297e-10]
 [-6.63234775e-31  2.16282591e-47  1.31167297e-10]
 [-9.94852163e-31  1.14875633e-30 -1.31167297e-10]
 [-8.29043469e-31 -2.22699292e-47 -1.31167297e-10]
 [ 1.32646955e-30  1.82413400e-46  1.08845767e-09]
 [-1.74099128e-30  4.30783623e-31  1.08845767e-09]
 [-1.07775651e-30  7.17972705e-31 -1.08845767e-09]
 [ 6.63234775e-31 -5.74378164e-31 -1.08845767e-09]]
stress =  [-4.16776506e-11 -4.16776506e-11  5.02879684e-11  2.19204378e-32
 -1.26863982e-46  8.22580803e-27]
energy per atom =  -7.369999999987207
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0