element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:17:56      -57.839328        3.3995
BFGS:    1 15:17:56      -55.991051       10.9135
BFGS:    2 15:17:56      -57.964689        0.9668
BFGS:    3 15:17:57      -57.976148        0.3324
BFGS:    4 15:17:57      -57.979677        0.3543
BFGS:    5 15:17:57      -57.996739        0.2365
BFGS:    6 15:17:57      -58.002297        0.1050
BFGS:    7 15:17:57      -58.002578        0.0842
BFGS:    8 15:17:57      -58.003193        0.0862
BFGS:    9 15:17:57      -58.003558        0.1050
BFGS:   10 15:17:58      -58.003873        0.0604
BFGS:   11 15:17:58      -58.003924        0.0148
BFGS:   12 15:17:58      -58.003927        0.0007
BFGS:   13 15:17:58      -58.003927        0.0000
BFGS:   14 15:17:58      -58.003927        0.0000
BFGS:   15 15:17:58      -58.003927        0.0000
BFGS:   16 15:17:58      -58.003927        0.0000
Minimization converged after 16 steps.
Maximum force component: 8.723744504557377e-10 eV/Angstrom
Maximum stress component: 1.8935711044019241e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.16329066e-01 8.16329066e-01 9.06583712e-34]
 [1.83670934e-01 1.83670934e-01 2.26645928e-34]
 [1.83670934e-01 8.16329066e-01 9.06583712e-34]
 [8.16329066e-01 1.83670934e-01 2.26645928e-34]
 [3.16329066e-01 3.16329066e-01 5.00000000e-01]
 [6.83670934e-01 6.83670934e-01 5.00000000e-01]
 [6.83670934e-01 3.16329066e-01 5.00000000e-01]
 [3.16329066e-01 6.83670934e-01 5.00000000e-01]]
cellpar =  Cell([[4.359178380672009, -6.714137104238392e-35, -4.256779745625257e-33], [-1.315124788817322e-34, 4.359178380672008, 6.612357748523253e-18], [-5.657841618452679e-33, 3.78213052857907e-18, 2.5492581685467925]])
forces =  [[ 8.72374450e-10  8.72374450e-10  1.32328881e-27]
 [-8.72374450e-10 -8.72374450e-10 -1.32328881e-27]
 [-8.72374450e-10  8.72374450e-10  1.32341449e-27]
 [ 8.72374450e-10 -8.72374450e-10 -1.32328881e-27]
 [ 8.72374450e-10  8.72374450e-10  1.32328881e-27]
 [-8.72374450e-10 -8.72374450e-10 -1.32328881e-27]
 [-8.72374450e-10  8.72374450e-10  1.32328881e-27]
 [ 8.72374450e-10 -8.72374450e-10 -1.32328881e-27]]
stress =  [ 9.62580489e-11  9.62580489e-11 -1.89357110e-10 -8.08865378e-26
  4.43671968e-33  1.64481070e-48]
energy per atom =  -7.250490920616965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0