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_KimJungLee_2009_FeTiC__MO_110119204723_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 16:01:07      -88.281846        0.6506
BFGS:    1 16:01:07      -88.341788        0.4330
BFGS:    2 16:01:07      -88.350339        0.4460
BFGS:    3 16:01:07      -88.371168        0.2808
BFGS:    4 16:01:07      -88.374290        0.2575
BFGS:    5 16:01:07      -88.388290        0.1371
BFGS:    6 16:01:07      -88.391748        0.0949
BFGS:    7 16:01:07      -88.392628        0.0644
BFGS:    8 16:01:07      -88.393115        0.0646
BFGS:    9 16:01:07      -88.394586        0.1045
BFGS:   10 16:01:07      -88.397721        0.1688
BFGS:   11 16:01:07      -88.403931        0.2297
BFGS:   12 16:01:07      -88.410230        0.2205
BFGS:   13 16:01:07      -88.415842        0.1253
BFGS:   14 16:01:07      -88.417870        0.0211
BFGS:   15 16:01:08      -88.417940        0.0011
BFGS:   16 16:01:08      -88.417940        0.0001
BFGS:   17 16:01:08      -88.417940        0.0000
BFGS:   18 16:01:08      -88.417940        0.0000
BFGS:   19 16:01:08      -88.417940        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.4425097650456383e-11 eV/Angstrom
Maximum stress component: 2.7712817861510235e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.81615266e-31 6.03429392e-31 4.48496641e-01]
 [0.00000000e+00 1.03900403e-16 5.51503359e-01]
 [6.66666667e-01 3.33333333e-01 7.81829975e-01]
 [6.66666667e-01 3.33333333e-01 8.84836692e-01]
 [3.33333333e-01 6.66666667e-01 1.15163308e-01]
 [3.33333333e-01 6.66666667e-01 2.18170025e-01]
 [1.14897458e-17 3.59736753e-31 2.17178005e-01]
 [1.00000000e+00 1.16044114e-30 7.82821995e-01]
 [6.66666667e-01 3.33333333e-01 5.50511339e-01]
 [6.66666667e-01 3.33333333e-01 1.16155328e-01]
 [3.33333333e-01 6.66666667e-01 8.83844672e-01]
 [3.33333333e-01 6.66666667e-01 4.49488661e-01]]
cellpar =  Cell([[2.452995247989329, -4.4594916552992696e-18, 1.0503322078918013e-17], [-1.2264976239946646, 2.124356200121267, 4.806118962011183e-17], [1.56511389985907e-16, 9.102405415918567e-16, 35.85085294407864]])
forces =  [[ 1.02859116e-28  6.02738552e-28  2.37212049e-11]
 [-1.02644108e-28 -6.02552349e-28 -2.37212049e-11]
 [ 1.03195066e-28  6.02552349e-28  2.37212049e-11]
 [-1.02644108e-28 -6.02645451e-28 -2.37212049e-11]
 [ 1.03235380e-28  6.02459248e-28  2.37212049e-11]
 [-1.03181628e-28 -6.02459248e-28 -2.37212049e-11]
 [ 1.07007088e-28  6.20144635e-28  2.44250977e-11]
 [-1.06953336e-28 -6.19679129e-28 -2.44250977e-11]
 [ 1.06845832e-28  6.20051534e-28  2.44250977e-11]
 [-1.06845832e-28 -6.19772230e-28 -2.44250977e-11]
 [ 1.07114592e-28  6.20144635e-28  2.44250977e-11]
 [-1.06738328e-28 -6.20144635e-28 -2.44250977e-11]]
stress =  [-2.77128179e-13 -2.77128179e-13 -1.38793052e-14  1.22706167e-29
 -7.19572560e-30 -1.00633068e-29]
energy per atom =  -7.3681617057144
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0