element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:43      -20.781611         1.291098
BFGS:    1 16:02:43      -20.876077         1.270545
BFGS:    2 16:02:43      -21.103862         1.170896
BFGS:    3 16:02:43      -21.292135         1.021323
BFGS:    4 16:02:43      -21.437304         0.822457
BFGS:    5 16:02:43      -21.536412         0.572458
BFGS:    6 16:02:43      -21.587129         0.346555
BFGS:    7 16:02:43      -21.598296         0.272985
BFGS:    8 16:02:43      -21.602683         0.078075
BFGS:    9 16:02:43      -21.603118         0.004098
BFGS:   10 16:02:43      -21.603123         0.000225
BFGS:   11 16:02:43      -21.603123         0.000002
BFGS:   12 16:02:43      -21.603123         0.000000
BFGS:   13 16:02:43      -21.603123         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.972971218255661e-10 eV/Angstrom
Maximum stress component: 6.451294372007007e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[3.51677525e-37 5.43503105e-86 0.00000000e+00]
 [2.77134241e-01 2.77134241e-01 2.77134241e-01]
 [7.22865759e-01 7.22865759e-01 2.77134241e-01]
 [7.22865759e-01 2.77134241e-01 7.22865759e-01]
 [2.77134241e-01 7.22865759e-01 7.22865759e-01]]
cellpar =  Cell([[3.847623408958493, 3.5818879853558657e-34, -6.9725517242549955e-34], [7.003898874690986e-33, 3.847623408958493, -9.138620891736388e-18], [1.1488582436069904e-33, -9.13862089173639e-18, 3.847623408958493]])
forces =  [[ 6.32341601e-32  3.16170801e-32  3.16170801e-32]
 [ 2.97297122e-10  2.97297122e-10  2.97297122e-10]
 [-2.97297122e-10 -2.97297122e-10  2.97297122e-10]
 [-2.97297122e-10  2.97297122e-10 -2.97297122e-10]
 [ 2.97297122e-10 -2.97297122e-10 -2.97297122e-10]]
stress =  [-6.45129437e-12 -6.45129437e-12 -6.45129437e-12  6.64026887e-29
  1.11013061e-33 -2.42127605e-50]
energy per atom =  -4.3206245031122235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0