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_KimJungLee_2010_FeNbC__MO_072689718616_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 17:29:24      -55.521875         7.394792
BFGS:    1 17:29:24      -57.196283         2.095370
BFGS:    2 17:29:24      -57.303064         1.893010
BFGS:    3 17:29:24      -57.430410         1.525098
BFGS:    4 17:29:24      -57.528920         1.135487
BFGS:    5 17:29:24      -57.597728         0.726845
BFGS:    6 17:29:24      -57.635145         0.296646
BFGS:    7 17:29:24      -57.642016         0.010174
BFGS:    8 17:29:24      -57.642022         0.006610
BFGS:    9 17:29:24      -57.642025         0.007393
BFGS:   10 17:29:24      -57.642031         0.006102
BFGS:   11 17:29:24      -57.642033         0.003266
BFGS:   12 17:29:24      -57.642034         0.001391
BFGS:   13 17:29:24      -57.642034         0.000281
BFGS:   14 17:29:24      -57.642034         0.000026
BFGS:   15 17:29:24      -57.642034         0.000003
BFGS:   16 17:29:24      -57.642034         0.000000
BFGS:   17 17:29:24      -57.642034         0.000000
BFGS:   18 17:29:24      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.239279157019522e-10 eV/Angstrom
Maximum stress component: 4.1741525262020034e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81054252 0.81054252 0.        ]
 [0.18945748 0.18945748 0.        ]
 [0.18945748 0.81054252 0.        ]
 [0.81054252 0.18945748 0.        ]
 [0.31054252 0.31054252 0.5       ]
 [0.68945748 0.68945748 0.5       ]
 [0.68945748 0.31054252 0.5       ]
 [0.31054252 0.68945748 0.5       ]]
cellpar =  Cell([[4.460634110213414, 1.5970769515910113e-35, 2.4173644071448562e-32], [-3.53665152452653e-37, 4.460634110213412, -2.1641757357285574e-17], [1.3714106178459479e-33, -1.233676485141683e-17, 2.4239260190917835]])
forces =  [[-4.23927916e-10 -4.23927916e-10  2.05672071e-27]
 [ 4.23927916e-10  4.23927916e-10 -2.05701948e-27]
 [ 4.23927916e-10 -4.23927916e-10  2.05678046e-27]
 [-4.23927916e-10  4.23927916e-10 -2.05678046e-27]
 [-4.23927916e-10 -4.23927916e-10  2.05678046e-27]
 [ 4.23927916e-10  4.23927916e-10 -2.05688503e-27]
 [ 4.23927916e-10 -4.23927916e-10  2.05678046e-27]
 [-4.23927916e-10  4.23927916e-10 -2.05678046e-27]]
stress =  [ 2.81644622e-10  2.81644622e-10  4.17415253e-10 -3.73550215e-26
 -1.83824850e-32 -1.10901446e-48]
energy per atom =  -7.205254288700426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0