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:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== 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 16:28:20      -57.839328         3.399542
BFGS:    1 16:28:20      -55.991051        10.913468
BFGS:    2 16:28:20      -57.964689         0.966756
BFGS:    3 16:28:20      -57.976148         0.332392
BFGS:    4 16:28:20      -57.979677         0.354278
BFGS:    5 16:28:20      -57.996739         0.236458
BFGS:    6 16:28:20      -58.002297         0.104983
BFGS:    7 16:28:20      -58.002578         0.084216
BFGS:    8 16:28:20      -58.003193         0.086165
BFGS:    9 16:28:20      -58.003558         0.105007
BFGS:   10 16:28:20      -58.003873         0.060378
BFGS:   11 16:28:20      -58.003924         0.014830
BFGS:   12 16:28:20      -58.003927         0.000748
BFGS:   13 16:28:20      -58.003927         0.000045
BFGS:   14 16:28:20      -58.003927         0.000003
BFGS:   15 16:28:20      -58.003927         0.000000
BFGS:   16 16:28:20      -58.003927         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.726247389609369e-10 eV/Angstrom
Maximum stress component: 1.8938980782980518e-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 6.04389141e-34]
 [1.83670934e-01 1.83670934e-01 0.00000000e+00]
 [1.83670934e-01 8.16329066e-01 6.04389141e-34]
 [8.16329066e-01 1.83670934e-01 0.00000000e+00]
 [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([[4.359178380672004, 1.7556704399702496e-34, 3.788630722565169e-33], [1.440934627432153e-34, 4.359178380672002, 4.232309795149292e-18], [-1.1288760319940812e-32, 2.4082823630281445e-18, 2.549258168546782]])
forces =  [[ 8.72624739e-10  8.72624739e-10  8.47290901e-28]
 [-8.72624739e-10 -8.72624739e-10 -8.47275190e-28]
 [-8.72624739e-10  8.72624739e-10  8.47228057e-28]
 [ 8.72624739e-10 -8.72624739e-10 -8.47290901e-28]
 [ 8.72624739e-10  8.72624739e-10  8.47479433e-28]
 [-8.72624739e-10 -8.72624739e-10 -8.47228057e-28]
 [-8.72624739e-10  8.72624739e-10  8.47165213e-28]
 [ 8.72624739e-10 -8.72624739e-10 -8.47228057e-28]]
stress =  [ 9.62798182e-11  9.62798182e-11 -1.89389808e-10 -1.71372854e-26
  7.13170055e-43 -3.23128577e-59]
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