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 16:09:24      -88.281846         0.650594
BFGS:    1 16:09:24      -88.341788         0.433001
BFGS:    2 16:09:24      -88.350339         0.445968
BFGS:    3 16:09:24      -88.371168         0.280769
BFGS:    4 16:09:24      -88.374290         0.257461
BFGS:    5 16:09:24      -88.388290         0.137116
BFGS:    6 16:09:24      -88.391748         0.094917
BFGS:    7 16:09:24      -88.392628         0.064404
BFGS:    8 16:09:24      -88.393115         0.064611
BFGS:    9 16:09:24      -88.394586         0.104548
BFGS:   10 16:09:24      -88.397721         0.168752
BFGS:   11 16:09:24      -88.403931         0.229696
BFGS:   12 16:09:24      -88.410230         0.220458
BFGS:   13 16:09:24      -88.415842         0.125340
BFGS:   14 16:09:25      -88.417870         0.021091
BFGS:   15 16:09:25      -88.417940         0.001079
BFGS:   16 16:09:25      -88.417940         0.000108
BFGS:   17 16:09:25      -88.417940         0.000000
BFGS:   18 16:09:25      -88.417940         0.000000
BFGS:   19 16:09:25      -88.417940         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.4386629868256025e-11 eV/Angstrom
Maximum stress component: 2.7749309647906385e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.56851747e-31 5.33802924e-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 2.90110285e-31 2.17178005e-01]
 [1.00000000e+00 8.81935266e-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([[2.4529952479893287, 4.412206709770065e-18, 1.0503323016743332e-17], [-1.2264976239946643, 2.124356200121267, 4.806119391147585e-17], [1.5651140396057214e-16, 9.102406228667792e-16, 35.85085294407878]])
forces =  [[ 1.04254072e-28  6.00575304e-28  2.36836705e-11]
 [-1.03394040e-28 -6.01320114e-28 -2.36836705e-11]
 [ 1.03958436e-28  6.00761506e-28  2.36836705e-11]
 [-1.03447792e-28 -6.01320114e-28 -2.36836705e-11]
 [ 1.04092816e-28  6.00668405e-28  2.36836705e-11]
 [-1.03394040e-28 -6.01320114e-28 -2.36836705e-11]
 [ 1.06247889e-28  6.18795602e-28  2.43866299e-11]
 [-1.06120228e-28 -6.19540412e-28 -2.43866299e-11]
 [ 1.07269177e-28  6.18516298e-28  2.43866299e-11]
 [-1.06032881e-28 -6.19540412e-28 -2.43866299e-11]
 [ 1.07161673e-28  6.18609400e-28  2.43866299e-11]
 [-1.07000417e-28 -6.18981804e-28 -2.43866299e-11]]
stress =  [-2.77493096e-13 -2.77493096e-13 -1.38187264e-14  1.22578945e-29
 -7.15769468e-30  8.20937374e-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