element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:36:20      -84.693569       30.3733
BFGS:    1 17:36:20     -100.312953       11.0852
BFGS:    2 17:36:20     -104.076302        5.6693
BFGS:    3 17:36:20     -105.979901        2.5249
BFGS:    4 17:36:20     -106.668982        1.1606
BFGS:    5 17:36:20     -106.933194        0.5101
BFGS:    6 17:36:20     -107.023968        0.2181
BFGS:    7 17:36:20     -107.054110        0.1488
BFGS:    8 17:36:20     -107.064274        0.1568
BFGS:    9 17:36:20     -107.068574        0.1522
BFGS:   10 17:36:20     -107.071432        0.1377
BFGS:   11 17:36:20     -107.074069        0.1104
BFGS:   12 17:36:20     -107.076184        0.0725
BFGS:   13 17:36:20     -107.077379        0.0418
BFGS:   14 17:36:20     -107.078644        0.0191
BFGS:   15 17:36:20     -107.080778        0.0233
BFGS:   16 17:36:20     -107.081025        0.0075
BFGS:   17 17:36:20     -107.081061        0.0011
BFGS:   18 17:36:20     -107.081064        0.0005
BFGS:   19 17:36:20     -107.081065        0.0000
BFGS:   20 17:36:20     -107.081065        0.0000
BFGS:   21 17:36:20     -107.081065        0.0000
Minimization converged after 21 steps.
Maximum force component: 2.120897386668396e-09 eV/Angstrom
Maximum stress component: 7.371131278298462e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.12989918 0.12989918 0.12989918]
 [0.37010082 0.87010082 0.62989918]
 [0.87010082 0.62989918 0.37010082]
 [0.62989918 0.37010082 0.87010082]
 [0.62989918 0.62989918 0.62989918]
 [0.87010082 0.37010082 0.12989918]
 [0.37010082 0.12989918 0.87010082]
 [0.12989918 0.87010082 0.37010082]
 [0.87010082 0.87010082 0.87010082]
 [0.62989918 0.12989918 0.37010082]
 [0.12989918 0.37010082 0.62989918]
 [0.37010082 0.62989918 0.12989918]
 [0.37010082 0.37010082 0.37010082]
 [0.12989918 0.62989918 0.87010082]
 [0.62989918 0.87010082 0.12989918]
 [0.87010082 0.12989918 0.62989918]]
cellpar =  Cell([[4.466165266317327, -1.1537205575946583e-35, 0.0], [-2.1538849693741066e-35, 4.466165266317327, 0.0], [0.0, 0.0, 4.466165266317327]])
forces =  [[ 2.12089739e-09  2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09 -2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09  2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09 -2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09  2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09 -2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09  2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09 -2.12089739e-09 -2.12089739e-09]
 [-2.12089739e-09 -2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09  2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09 -2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09  2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09 -2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09  2.12089739e-09 -2.12089739e-09]
 [ 2.12089739e-09 -2.12089739e-09  2.12089739e-09]
 [-2.12089739e-09  2.12089739e-09  2.12089739e-09]]
stress =  [ 7.37113128e-10  7.37113128e-10  7.37113128e-10  0.00000000e+00
  0.00000000e+00 -1.64785735e-32]
energy per atom =  -6.692566540639611
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0