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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 16:00:37      -88.281846        0.6506
BFGS:    1 16:00:37      -88.341787        0.4330
BFGS:    2 16:00:37      -88.350339        0.4460
BFGS:    3 16:00:37      -88.371168        0.2808
BFGS:    4 16:00:37      -88.374290        0.2575
BFGS:    5 16:00:37      -88.388290        0.1371
BFGS:    6 16:00:37      -88.391748        0.0949
BFGS:    7 16:00:37      -88.392628        0.0644
BFGS:    8 16:00:37      -88.393115        0.0646
BFGS:    9 16:00:37      -88.394586        0.1045
BFGS:   10 16:00:37      -88.397721        0.1688
BFGS:   11 16:00:37      -88.403931        0.2297
BFGS:   12 16:00:37      -88.410230        0.2205
BFGS:   13 16:00:37      -88.415842        0.1253
BFGS:   14 16:00:37      -88.417870        0.0211
BFGS:   15 16:00:37      -88.417940        0.0011
BFGS:   16 16:00:37      -88.417940        0.0001
BFGS:   17 16:00:37      -88.417940        0.0000
BFGS:   18 16:00:37      -88.417940        0.0000
BFGS:   19 16:00:37      -88.417940        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.440657167109469e-11 eV/Angstrom
Maximum stress component: 2.766555309676473e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.48356728e-31 5.57011747e-31 4.48496642e-01]
 [0.00000000e+00 1.03900403e-16 5.51503358e-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 2.66901462e-31 2.17178005e-01]
 [1.00000000e+00 9.74770557e-31 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([[2.452995247989282, 3.167791467746424e-18, 1.0503317291959954e-17], [-1.226497623994641, 2.124356200121225, 4.806116000296775e-17], [1.5651131827416486e-16, 9.102399951676307e-16, 35.85085297691977]])
forces =  [[ 1.02951815e-28  6.02060451e-28  2.37055121e-11]
 [-1.02978691e-28 -6.02246654e-28 -2.37055121e-11]
 [ 1.02091783e-28  6.02246654e-28  2.37055121e-11]
 [-1.01769271e-28 -6.02991463e-28 -2.37055121e-11]
 [ 1.02629303e-28  6.02246654e-28  2.37055121e-11]
 [-1.02360543e-28 -6.02712160e-28 -2.37055121e-11]
 [ 1.07463681e-28  6.19394591e-28  2.44065717e-11]
 [-1.06711153e-28 -6.19487692e-28 -2.44065717e-11]
 [ 1.08081829e-28  6.18929085e-28  2.44065717e-11]
 [-1.06764905e-28 -6.19673894e-28 -2.44065717e-11]
 [ 1.07409929e-28  6.19301490e-28  2.44065717e-11]
 [-1.07302425e-28 -6.19115287e-28 -2.44065717e-11]]
stress =  [-2.76655531e-13 -2.76655531e-13 -1.37448868e-14  1.22073287e-29
 -7.11936961e-30 -4.75692389e-29]
energy per atom =  -7.368161705714399
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0