element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:25      -87.965239         1.548615
BFGS:    1 16:48:25      -88.031026         1.425466
BFGS:    2 16:48:25      -88.159798         1.153546
BFGS:    3 16:48:25      -88.261928         0.890202
BFGS:    4 16:48:25      -88.337991         0.635357
BFGS:    5 16:48:25      -88.389176         0.388627
BFGS:    6 16:48:25      -88.416018         0.149952
BFGS:    7 16:48:25      -88.420903         0.061791
BFGS:    8 16:48:25      -88.421015         0.012429
BFGS:    9 16:48:25      -88.421020         0.002332
BFGS:   10 16:48:25      -88.421020         0.002331
BFGS:   11 16:48:25      -88.421035         0.013341
BFGS:   12 16:48:25      -88.421059         0.024678
BFGS:   13 16:48:25      -88.421123         0.041971
BFGS:   14 16:48:25      -88.421231         0.052963
BFGS:   15 16:48:25      -88.421343         0.046152
BFGS:   16 16:48:25      -88.421429         0.021345
BFGS:   17 16:48:25      -88.421443         0.004261
BFGS:   18 16:48:25      -88.421444         0.000781
BFGS:   19 16:48:25      -88.421444         0.000093
BFGS:   20 16:48:25      -88.421444         0.000018
BFGS:   21 16:48:25      -88.421444         0.000001
BFGS:   22 16:48:25      -88.421444         0.000000
Minimization converged after 22 steps.
Maximum force component: 5.9092845903368834e-09 eV/Angstrom
Maximum stress component: 2.343618487348459e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.58109386e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.87051278e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.71195560e-01]
 [6.66666667e-01 3.33333333e-01 3.71195560e-01]
 [6.66666667e-01 3.33333333e-01 1.28804440e-01]
 [3.33333333e-01 6.66666667e-01 6.28804440e-01]
 [3.33333333e-01 6.66666667e-01 1.28805890e-01]
 [6.66666667e-01 3.33333333e-01 6.28805890e-01]
 [6.66666667e-01 3.33333333e-01 8.71194110e-01]
 [3.33333333e-01 6.66666667e-01 3.71194110e-01]]
cellpar =  Cell([[2.530404557932182, 5.6448801845218986e-18, -4.514421956450909e-23], [-1.265202278966091, 2.191394629021202, -9.028843912893406e-23], [-6.240584494091852e-22, -1.8015015687822643e-21, 34.974447110864]])
forces =  [[-1.66344769e-30  1.72870555e-30 -5.93541832e-53]
 [ 2.66151631e-30 -1.15247037e-30 -8.77061653e-36]
 [-9.98068615e-31  5.76235184e-31 -1.18708366e-53]
 [ 6.65379077e-31 -5.76235184e-31  1.40329865e-34]
 [-2.54412014e-30 -8.79603761e-31 -5.77814079e-09]
 [-1.89303631e-30 -8.54843655e-31 -5.77814079e-09]
 [-1.13497465e-31  8.72851005e-31  5.77814079e-09]
 [-1.43385907e-30  2.00731402e-30  5.77814079e-09]
 [ 4.93983581e-30 -4.03538942e-30 -5.90928459e-09]
 [-3.55414397e-30  2.03308736e-30 -5.90928459e-09]
 [-4.93463753e-30  4.02638574e-30  5.90928459e-09]
 [ 3.55414397e-30 -2.03308736e-30  5.90928459e-09]]
stress =  [ 2.34361849e-11  2.34361849e-11 -1.14590809e-11 -2.84201790e-29
 -9.84503844e-30  1.23683964e-27]
energy per atom =  -7.368453637219576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0