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_KimLee_2008_TiC__MO_134206624109_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      -88.341787         0.433002
BFGS:    2 16:09:24      -88.350339         0.445967
BFGS:    3 16:09:24      -88.371168         0.280768
BFGS:    4 16:09:24      -88.374290         0.257462
BFGS:    5 16:09:24      -88.388290         0.137121
BFGS:    6 16:09:24      -88.391748         0.094918
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         0.104554
BFGS:   10 16:09:24      -88.397721         0.168758
BFGS:   11 16:09:24      -88.403932         0.229701
BFGS:   12 16:09:24      -88.410231         0.220452
BFGS:   13 16:09:24      -88.415843         0.125324
BFGS:   14 16:09:24      -88.417870         0.021079
BFGS:   15 16:09:24      -88.417940         0.001079
BFGS:   16 16:09:24      -88.417940         0.000108
BFGS:   17 16:09:24      -88.417940         0.000000
BFGS:   18 16:09:24      -88.417940         0.000000
BFGS:   19 16:09:24      -88.417940         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.4713607318001737e-11 eV/Angstrom
Maximum stress component: 2.7523862017551756e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.16789279e-31 6.03429411e-31 4.48496641e-01]
 [0.00000000e+00 1.03900403e-16 5.51503359e-01]
 [6.66666667e-01 3.33333333e-01 7.81829974e-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 2.18170026e-01]
 [1.14897458e-17 2.43692647e-31 2.17178006e-01]
 [1.00000000e+00 8.81935293e-31 7.82821994e-01]
 [6.66666667e-01 3.33333333e-01 5.50511339e-01]
 [6.66666667e-01 3.33333333e-01 1.16155327e-01]
 [3.33333333e-01 6.66666667e-01 8.83844673e-01]
 [3.33333333e-01 6.66666667e-01 4.49488661e-01]]
cellpar =  Cell([[2.4529951711192495, 2.4804267617830712e-18, 1.0507335475528143e-17], [-1.2264975855596247, 2.124356133549825, 4.807077006508422e-17], [1.565705256398396e-16, 9.104371900219885e-16, 35.85085307499884]])
forces =  [[ 1.04831056e-28  6.09578920e-28  2.40037693e-11]
 [-1.06013600e-28 -6.09392717e-28 -2.40037693e-11]
 [ 1.04293536e-28  6.09392717e-28  2.40037693e-11]
 [-1.05261072e-28 -6.09672021e-28 -2.40037693e-11]
 [ 1.04938560e-28  6.09392717e-28  2.40037693e-11]
 [-1.05261072e-28 -6.09578920e-28 -2.40037693e-11]
 [ 1.07286089e-28  6.27977755e-28  2.47136073e-11]
 [-1.07393593e-28 -6.28163957e-28 -2.47136073e-11]
 [ 1.06641065e-28  6.28722565e-28  2.47136073e-11]
 [-1.07716105e-28 -6.28722565e-28 -2.47136073e-11]
 [ 1.07205461e-28  6.28210508e-28  2.47136073e-11]
 [-1.07501097e-28 -6.28350160e-28 -2.47136073e-11]]
stress =  [-2.75238620e-13 -2.75238620e-13 -1.38712462e-14  1.22242025e-29
 -7.20184728e-30  8.96202807e-29]
energy per atom =  -7.3681617029333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0