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_001
==== 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 09:49:07      -55.521875         7.394792
BFGS:    1 09:49:07      -57.196283         2.095370
BFGS:    2 09:49:07      -57.303064         1.893010
BFGS:    3 09:49:07      -57.430410         1.525098
BFGS:    4 09:49:07      -57.528920         1.135487
BFGS:    5 09:49:07      -57.597728         0.726845
BFGS:    6 09:49:07      -57.635145         0.296646
BFGS:    7 09:49:07      -57.642016         0.010174
BFGS:    8 09:49:07      -57.642022         0.006610
BFGS:    9 09:49:07      -57.642025         0.007393
BFGS:   10 09:49:07      -57.642031         0.006102
BFGS:   11 09:49:07      -57.642033         0.003266
BFGS:   12 09:49:07      -57.642034         0.001391
BFGS:   13 09:49:07      -57.642034         0.000281
BFGS:   14 09:49:07      -57.642034         0.000026
BFGS:   15 09:49:07      -57.642034         0.000003
BFGS:   16 09:49:07      -57.642034         0.000000
BFGS:   17 09:49:07      -57.642034         0.000000
BFGS:   18 09:49:07      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.2397645908514415e-10 eV/Angstrom
Maximum stress component: 4.174194934280551e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.10542524e-01 8.10542524e-01 3.17819922e-34]
 [1.89457476e-01 1.89457476e-01 0.00000000e+00]
 [1.89457476e-01 8.10542524e-01 1.58909961e-34]
 [8.10542524e-01 1.89457476e-01 1.19182471e-34]
 [3.10542524e-01 3.10542524e-01 5.00000000e-01]
 [6.89457476e-01 6.89457476e-01 5.00000000e-01]
 [6.89457476e-01 3.10542524e-01 5.00000000e-01]
 [3.10542524e-01 6.89457476e-01 5.00000000e-01]]
cellpar =  Cell([[4.4606341102134115, 7.406941270980615e-36, -1.7751872053257893e-32], [-6.394535415403077e-36, 4.460634110213414, 2.4224881663204497e-18], [8.30107193783422e-33, 1.2790370920643183e-18, 2.4239260190917844]])
forces =  [[-4.23976459e-10 -4.23976459e-10 -2.30014783e-28]
 [ 4.23976459e-10  4.23976459e-10  2.30462941e-28]
 [ 4.23976459e-10 -4.23976459e-10 -2.30612326e-28]
 [-4.23976459e-10  4.23976459e-10  2.30433063e-28]
 [-4.23976459e-10 -4.23976459e-10 -2.30373309e-28]
 [ 4.23976459e-10  4.23976459e-10  2.30253800e-28]
 [ 4.23976459e-10 -4.23976459e-10 -2.30552572e-28]
 [-4.23976459e-10  4.23976459e-10  2.30433063e-28]]
stress =  [ 2.81643614e-10  2.81643614e-10  4.17419493e-10 -1.02794495e-25
 -2.84999769e-34  4.88353533e-50]
energy per atom =  -7.2052542887004245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0