element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:21      -88.365090        2.1647
BFGS:    1 14:31:21      -88.280003        4.3708
BFGS:    2 14:31:21      -88.428835        0.4759
BFGS:    3 14:31:21      -88.431855        0.3563
BFGS:    4 14:31:21      -88.433661        0.2016
BFGS:    5 14:31:21      -88.434622        0.1512
BFGS:    6 14:31:21      -88.437353        0.1659
BFGS:    7 14:31:21      -88.438837        0.1484
BFGS:    8 14:31:21      -88.439721        0.0774
BFGS:    9 14:31:21      -88.439949        0.0146
BFGS:   10 14:31:21      -88.439979        0.0079
BFGS:   11 14:31:21      -88.439982        0.0074
BFGS:   12 14:31:21      -88.439987        0.0065
BFGS:   13 14:31:21      -88.439993        0.0045
BFGS:   14 14:31:21      -88.439998        0.0042
BFGS:   15 14:31:21      -88.440000        0.0020
BFGS:   16 14:31:21      -88.440000        0.0004
BFGS:   17 14:31:21      -88.440000        0.0000
BFGS:   18 14:31:21      -88.440000        0.0000
BFGS:   19 14:31:21      -88.440000        0.0000
BFGS:   20 14:31:22      -88.440000        0.0000
BFGS:   21 14:31:22      -88.440000        0.0000
BFGS:   22 14:31:22      -88.440000        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.1290819498046014e-09 eV/Angstrom
Maximum stress component: 1.527041213767245e-10 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 7.44313521e-35 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [3.39135516e-35 4.25856165e-35 8.12500000e-01]
 [0.00000000e+00 4.34212239e-37 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5222498827151485, 1.8487396294476956e-19, 3.425383272741093e-36], [-1.2611249413575742, 2.1843324731236406, 6.684749961314444e-36], [1.8581869141854146e-35, 4.530740218248383e-35, 12.356450432957537]])
forces =  [[-3.31617388e-31 -5.74378164e-31  2.12908195e-09]
 [-3.31617388e-31  5.74378164e-31  2.12908195e-09]
 [-1.65808694e-30  1.72313449e-30 -2.12908195e-09]
 [ 4.97426081e-31  1.29235087e-30 -2.12908195e-09]
 [ 6.63234775e-31  5.74378164e-31  7.21256842e-10]
 [ 1.65808694e-31  2.64464493e-45  7.21256842e-10]
 [-3.31617388e-31 -2.64465708e-45 -7.21256842e-10]
 [-4.14521735e-31 -7.17972705e-31 -7.21256842e-10]
 [-8.29043469e-31 -8.61567246e-31 -3.24554177e-11]
 [-4.97426081e-31 -1.19040754e-46 -3.24554177e-11]
 [ 1.13993477e-30  3.23087717e-31  3.24554177e-11]
 [ 1.32646955e-30  1.19101521e-46  3.24554177e-11]]
stress =  [-1.52704121e-10 -1.52704121e-10  1.06357405e-10 -1.09602189e-32
  1.47650658e-32  8.22471027e-26]
energy per atom =  -7.369999999987203
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0