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 14:20:03      -52.190047       41.8577
BFGS:    1 14:20:03      -55.934908        7.3009
BFGS:    2 14:20:03      -57.277657        3.1706
BFGS:    3 14:20:03      -57.715573        1.0651
BFGS:    4 14:20:03      -57.771842        0.9014
BFGS:    5 14:20:03      -57.869531        0.6609
BFGS:    6 14:20:03      -57.934507        0.4818
BFGS:    7 14:20:03      -57.971722        0.5381
BFGS:    8 14:20:03      -57.982314        0.3811
BFGS:    9 14:20:03      -57.985445        0.2509
BFGS:   10 14:20:03      -57.993879        0.3853
BFGS:   11 14:20:03      -58.001237        0.7812
BFGS:   12 14:20:03      -58.011768        0.9840
BFGS:   13 14:20:03      -58.020072        0.6343
BFGS:   14 14:20:03      -58.025316        0.3554
BFGS:   15 14:20:03      -58.028917        0.3599
BFGS:   16 14:20:03      -58.033869        0.6763
BFGS:   17 14:20:03      -58.038655        0.6633
BFGS:   18 14:20:03      -58.041328        0.3254
BFGS:   19 14:20:03      -58.041881        0.0580
BFGS:   20 14:20:03      -58.041918        0.0022
BFGS:   21 14:20:03      -58.041919        0.0007
BFGS:   22 14:20:03      -58.041919        0.0001
BFGS:   23 14:20:03      -58.041919        0.0000
BFGS:   24 14:20:03      -58.041919        0.0000
BFGS:   25 14:20:04      -58.041919        0.0000
BFGS:   26 14:20:04      -58.041919        0.0000
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.
Successfully added property instance for parameter set 0