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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 16:54:32      -52.190047        41.857736
BFGS:    1 16:54:32      -55.934908         7.300869
BFGS:    2 16:54:32      -57.277657         3.170607
BFGS:    3 16:54:33      -57.715573         1.065142
BFGS:    4 16:54:33      -57.771842         0.901396
BFGS:    5 16:54:33      -57.869531         0.660872
BFGS:    6 16:54:33      -57.934507         0.481781
BFGS:    7 16:54:33      -57.971722         0.538065
BFGS:    8 16:54:33      -57.982314         0.381095
BFGS:    9 16:54:33      -57.985445         0.250902
BFGS:   10 16:54:33      -57.993879         0.385300
BFGS:   11 16:54:33      -58.001237         0.781246
BFGS:   12 16:54:33      -58.011768         0.983967
BFGS:   13 16:54:33      -58.020072         0.634261
BFGS:   14 16:54:33      -58.025316         0.355371
BFGS:   15 16:54:33      -58.028917         0.359903
BFGS:   16 16:54:33      -58.033869         0.676336
BFGS:   17 16:54:34      -58.038655         0.663301
BFGS:   18 16:54:34      -58.041328         0.325363
BFGS:   19 16:54:34      -58.041881         0.057962
BFGS:   20 16:54:34      -58.041918         0.002232
BFGS:   21 16:54:34      -58.041919         0.000721
BFGS:   22 16:54:34      -58.041919         0.000087
BFGS:   23 16:54:34      -58.041919         0.000005
BFGS:   24 16:54:34      -58.041919         0.000002
BFGS:   25 16:54:34      -58.041919         0.000000
BFGS:   26 16:54:34      -58.041919         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.6205349760491663e-09 eV/Angstrom
Maximum stress component: 2.435460603176799e-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 0.00000000e+00]
 [4.06426720e-01 0.00000000e+00 0.00000000e+00]
 [9.35732801e-02 5.00000000e-01 0.00000000e+00]
 [9.06426720e-01 5.00000000e-01 0.00000000e+00]
 [6.93769110e-01 5.16850172e-37 5.00000000e-01]
 [3.06230890e-01 9.52334095e-37 5.00000000e-01]
 [1.93769110e-01 5.00000000e-01 5.00000000e-01]
 [8.06230890e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.954688365801228, -6.913485831455295e-36, 0.0], [-1.0606742062250753e-35, 2.539479626265882, 0.0], [0.0, 0.0, 2.568801673660356]])
forces =  [[ 1.94601244e-09 -1.69129560e-45  0.00000000e+00]
 [-1.94601244e-09  1.69129560e-45  0.00000000e+00]
 [ 1.94601244e-09 -1.69129560e-45  0.00000000e+00]
 [-1.94601244e-09  1.69129560e-45  0.00000000e+00]
 [-2.62053498e-09 -3.75618037e-31  0.00000000e+00]
 [ 2.62053498e-09 -2.50412025e-31  0.00000000e+00]
 [-2.62053498e-09 -2.50412025e-31  0.00000000e+00]
 [ 2.62053498e-09 -3.75618037e-31  0.00000000e+00]]
stress =  [ 7.54882211e-11 -8.56580730e-11  2.43546060e-10  0.00000000e+00
  0.00000000e+00 -2.44068958e-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