element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:52      -58.962782         0.413542
BFGS:    1 16:35:52      -58.973073         0.358298
BFGS:    2 16:35:52      -58.976105         0.321428
BFGS:    3 16:35:52      -58.979020         0.245470
BFGS:    4 16:35:52      -58.983976         0.132957
BFGS:    5 16:35:52      -58.985403         0.054726
BFGS:    6 16:35:52      -58.985519         0.004179
BFGS:    7 16:35:52      -58.985522         0.002300
BFGS:    8 16:35:52      -58.985522         0.002136
BFGS:    9 16:35:52      -58.985522         0.001227
BFGS:   10 16:35:52      -58.985523         0.000679
BFGS:   11 16:35:52      -58.985523         0.000215
BFGS:   12 16:35:52      -58.985523         0.000025
BFGS:   13 16:35:52      -58.985523         0.000002
BFGS:   14 16:35:52      -58.985523         0.000000
BFGS:   15 16:35:52      -58.985523         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.3832010424430017e-09 eV/Angstrom
Maximum stress component: 2.589562644145446e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.53062050e-37 0.00000000e+00 9.37500000e-02]
 [6.40007312e-36 0.00000000e+00 5.93750000e-01]
 [8.98277905e-38 5.96270741e-36 9.06250000e-01]
 [1.41878562e-35 2.83432312e-36 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.521344685480622, 2.231319699431335e-19, -6.640339067339114e-38], [-1.260672342740311, 2.1835485493231044, -1.8527013224229178e-37], [-7.028870920026793e-38, -1.5608355504706013e-36, 8.234677259904922]])
forces =  [[ 1.20168161e-30 -2.15314511e-31  1.93418094e-09]
 [-9.53057829e-31  5.02400525e-31  1.93418094e-09]
 [-1.16024431e-30  2.87086014e-31 -1.93418094e-09]
 [ 2.48623781e-31 -4.30629021e-31 -1.93418094e-09]
 [ 1.24311891e-30 -1.00480105e-30 -2.38320104e-09]
 [-9.94495125e-31  2.87086014e-31 -2.38320104e-09]
 [-4.97247563e-31  2.87086014e-31  2.38320104e-09]
 [ 1.82324106e-30 -8.61258043e-31  2.38320104e-09]]
stress =  [ 3.28978298e-11  3.28978298e-11 -2.58956264e-10  8.32945173e-47
  2.91301124e-47 -1.36648080e-26]
energy per atom =  -7.3731903311880105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0