element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:42      -52.190047        41.857736
BFGS:    1 15:51:42      -55.934908         7.300869
BFGS:    2 15:51:42      -57.277657         3.170607
BFGS:    3 15:51:43      -57.715573         1.065142
BFGS:    4 15:51:43      -57.771842         0.901396
BFGS:    5 15:51:43      -57.869531         0.660872
BFGS:    6 15:51:43      -57.934507         0.481781
BFGS:    7 15:51:43      -57.971722         0.538065
BFGS:    8 15:51:43      -57.982314         0.381095
BFGS:    9 15:51:43      -57.985445         0.250902
BFGS:   10 15:51:43      -57.993879         0.385300
BFGS:   11 15:51:43      -58.001237         0.781247
BFGS:   12 15:51:43      -58.011768         0.983967
BFGS:   13 15:51:43      -58.020072         0.634261
BFGS:   14 15:51:43      -58.025316         0.355371
BFGS:   15 15:51:43      -58.028917         0.359903
BFGS:   16 15:51:43      -58.033869         0.676336
BFGS:   17 15:51:43      -58.038655         0.663301
BFGS:   18 15:51:43      -58.041328         0.325362
BFGS:   19 15:51:43      -58.041881         0.057962
BFGS:   20 15:51:43      -58.041918         0.002232
BFGS:   21 15:51:43      -58.041919         0.000721
BFGS:   22 15:51:43      -58.041919         0.000087
BFGS:   23 15:51:43      -58.041919         0.000005
BFGS:   24 15:51:43      -58.041919         0.000002
BFGS:   25 15:51:43      -58.041919         0.000000
BFGS:   26 15:51:43      -58.041919         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.6205155638004086e-09 eV/Angstrom
Maximum stress component: 2.4353902875666843e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.93573280e-01 0.00000000e+00 2.61984085e-35]
 [4.06426720e-01 0.00000000e+00 5.87755482e-35]
 [9.35732801e-02 5.00000000e-01 2.46398166e-35]
 [9.06426720e-01 5.00000000e-01 5.54833348e-35]
 [6.93769110e-01 0.00000000e+00 5.00000000e-01]
 [3.06230890e-01 0.00000000e+00 5.00000000e-01]
 [1.93769110e-01 5.00000000e-01 5.00000000e-01]
 [8.06230890e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.954688365801234, -5.726576809010623e-36, 0.0], [-8.413873175128861e-37, 2.5394796262658734, 0.0], [0.0, 0.0, 2.5688016736603507]])
forces =  [[ 1.94587431e-09 -1.40083410e-45 -6.33258504e-32]
 [-1.94587431e-09  1.40083410e-45  0.00000000e+00]
 [ 1.94587431e-09 -1.39672798e-45  0.00000000e+00]
 [-1.94587431e-09  1.40083410e-45  0.00000000e+00]
 [-2.62051556e-09  1.88650805e-45 -5.06606803e-31]
 [ 2.62051556e-09  6.26030061e-32  5.06606803e-31]
 [-2.62051556e-09  1.88650805e-45 -4.43280953e-31]
 [ 2.62051556e-09 -1.88650805e-45  5.06606803e-31]]
stress =  [ 7.54932529e-11 -8.56559459e-11  2.43539029e-10  0.00000000e+00
  0.00000000e+00  4.88137917e-33]
energy per atom =  -7.255239821817372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0