element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['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:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:37      -87.959187         1.551653
BFGS:    1 15:08:37      -88.025223         1.428236
BFGS:    2 15:08:37      -88.153953         1.156400
BFGS:    3 15:08:37      -88.256646         0.892862
BFGS:    4 15:08:37      -88.333054         0.637925
BFGS:    5 15:08:37      -88.384615         0.391087
BFGS:    6 15:08:37      -88.411722         0.152347
BFGS:    7 15:08:37      -88.416727         0.017724
BFGS:    8 15:08:37      -88.416741         0.006061
BFGS:    9 15:08:37      -88.416744         0.005899
BFGS:   10 15:08:37      -88.416765         0.013523
BFGS:   11 15:08:37      -88.416805         0.026666
BFGS:   12 15:08:37      -88.416917         0.049141
BFGS:   13 15:08:38      -88.417164         0.076809
BFGS:   14 15:08:38      -88.417660         0.101230
BFGS:   15 15:08:38      -88.418259         0.098171
BFGS:   16 15:08:38      -88.418802         0.069902
BFGS:   17 15:08:38      -88.419130         0.023573
BFGS:   18 15:08:38      -88.419164         0.002140
BFGS:   19 15:08:38      -88.419164         0.000410
BFGS:   20 15:08:38      -88.419164         0.000099
BFGS:   21 15:08:38      -88.419164         0.000025
BFGS:   22 15:08:38      -88.419164         0.000004
BFGS:   23 15:08:38      -88.419164         0.000000
BFGS:   24 15:08:38      -88.419164         0.000000
Minimization converged after 24 steps.
Maximum force component: 8.825996869411281e-10 eV/Angstrom
Maximum stress component: 2.3803175399535707e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.83437077e-31 5.68091931e-31 4.42973275e-01]
 [0.00000000e+00 1.03900403e-16 5.57026725e-01]
 [6.66666667e-01 3.33333333e-01 7.76306608e-01]
 [6.66666667e-01 3.33333333e-01 8.90360058e-01]
 [3.33333333e-01 6.66666667e-01 1.09639942e-01]
 [3.33333333e-01 6.66666667e-01 2.23693392e-01]
 [1.14897458e-17 2.74378560e-31 2.23694763e-01]
 [1.00000000e+00 9.73419900e-31 7.76305237e-01]
 [6.66666667e-01 3.33333333e-01 5.57028097e-01]
 [6.66666667e-01 3.33333333e-01 1.09638570e-01]
 [3.33333333e-01 6.66666667e-01 8.90361430e-01]
 [3.33333333e-01 6.66666667e-01 4.42971903e-01]]
cellpar =  Cell([[2.5304198201313266, -2.5937056956875305e-18, 1.9442635145587472e-19], [-1.2652099100656633, 2.191407846473378, 3.8885270291179167e-19], [2.854798813171316e-18, 8.241094316330731e-18, 37.150020686256525]])
forces =  [[-6.80452973e-29 -1.96173748e-28 -8.82599687e-10]
 [ 6.72135685e-29  1.95309390e-28  8.82599687e-10]
 [-6.69917741e-29 -1.96077708e-28 -8.82599687e-10]
 [ 6.72690171e-29  1.95213350e-28  8.82599687e-10]
 [-6.70472227e-29 -1.97134145e-28 -8.82599687e-10]
 [ 6.68254283e-29  1.95597509e-28  8.82599687e-10]
 [-6.65209964e-29 -1.87035507e-28 -8.44003049e-10]
 [ 6.58833376e-29  1.85210752e-28  8.44003049e-10]
 [-6.77963140e-29 -1.87515706e-28 -8.44003049e-10]
 [ 6.59665105e-29  1.85306791e-28  8.44003049e-10]
 [-6.75190710e-29 -1.87227587e-28 -8.44003049e-10]
 [ 6.53011274e-29  1.86075110e-28  8.44003049e-10]]
stress =  [-2.31894099e-12 -2.31894099e-12 -2.38031754e-12  3.24058694e-26
  1.12257224e-26  1.34156000e-27]
energy per atom =  -7.368263693512794
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0