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 12:49:27      -52.190047        41.857736
BFGS:    1 12:49:28      -55.934908         7.300869
BFGS:    2 12:49:28      -57.277657         3.170607
BFGS:    3 12:49:28      -57.715573         1.065142
BFGS:    4 12:49:28      -57.771842         0.901396
BFGS:    5 12:49:28      -57.869531         0.660872
BFGS:    6 12:49:28      -57.934507         0.481781
BFGS:    7 12:49:29      -57.971722         0.538065
BFGS:    8 12:49:29      -57.982314         0.381095
BFGS:    9 12:49:29      -57.985445         0.250902
BFGS:   10 12:49:29      -57.993879         0.385300
BFGS:   11 12:49:29      -58.001237         0.781246
BFGS:   12 12:49:29      -58.011768         0.983967
BFGS:   13 12:49:29      -58.020072         0.634261
BFGS:   14 12:49:30      -58.025316         0.355371
BFGS:   15 12:49:30      -58.028917         0.359903
BFGS:   16 12:49:30      -58.033869         0.676336
BFGS:   17 12:49:30      -58.038655         0.663301
BFGS:   18 12:49:30      -58.041328         0.325363
BFGS:   19 12:49:30      -58.041881         0.057962
BFGS:   20 12:49:30      -58.041918         0.002232
BFGS:   21 12:49:31      -58.041919         0.000721
BFGS:   22 12:49:31      -58.041919         0.000087
BFGS:   23 12:49:31      -58.041919         0.000005
BFGS:   24 12:49:31      -58.041919         0.000002
BFGS:   25 12:49:31      -58.041919         0.000000
BFGS:   26 12:49:31      -58.041919         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.6205063460286812e-09 eV/Angstrom
Maximum stress component: 2.435369453055049e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.93573280e-01 5.95261156e-35 5.45685083e-37]
 [4.06426720e-01 1.20377968e-35 0.00000000e+00]
 [9.35732801e-02 5.00000000e-01 1.03884546e-36]
 [9.06426720e-01 5.00000000e-01 0.00000000e+00]
 [6.93769110e-01 0.00000000e+00 5.00000000e-01]
 [3.06230890e-01 7.80436126e-36 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, -1.8915393476899868e-35, 0.0], [-4.73427332580973e-36, 2.539479626265882, 0.0], [0.0, 0.0, 2.568801673660355]])
forces =  [[ 1.94589039e-09 -4.62711808e-45  0.00000000e+00]
 [-1.94589039e-09  4.69522546e-32  0.00000000e+00]
 [ 1.94589039e-09 -4.69522546e-32  0.00000000e+00]
 [-1.94589039e-09  4.62711808e-45  0.00000000e+00]
 [-2.62050635e-09  6.23128228e-45  0.00000000e+00]
 [ 2.62050635e-09  2.50412025e-31  0.00000000e+00]
 [-2.62050635e-09  1.87809018e-31  0.00000000e+00]
 [ 2.62050635e-09  1.00164810e-30  0.00000000e+00]]
stress =  [ 7.54922566e-11 -8.56563769e-11  2.43536945e-10  0.00000000e+00
  0.00000000e+00  1.57012520e-46]
energy per atom =  -7.255239821817371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.