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_PlummerTucker_2019_TiAlC__MO_736419017411_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 15:50:40      -58.962782         0.413542
BFGS:    1 15:50:40      -58.973073         0.358298
BFGS:    2 15:50:40      -58.976105         0.321428
BFGS:    3 15:50:40      -58.979020         0.245470
BFGS:    4 15:50:40      -58.983976         0.132957
BFGS:    5 15:50:40      -58.985403         0.054726
BFGS:    6 15:50:40      -58.985519         0.004179
BFGS:    7 15:50:40      -58.985522         0.002300
BFGS:    8 15:50:40      -58.985522         0.002136
BFGS:    9 15:50:40      -58.985522         0.001227
BFGS:   10 15:50:40      -58.985523         0.000679
BFGS:   11 15:50:40      -58.985523         0.000215
BFGS:   12 15:50:40      -58.985523         0.000025
BFGS:   13 15:50:40      -58.985523         0.000002
BFGS:   14 15:50:40      -58.985523         0.000000
BFGS:   15 15:50:41      -58.985523         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.3832545551927886e-09 eV/Angstrom
Maximum stress component: 2.5895528977581287e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.37500000e-02]
 [1.64896612e-35 0.00000000e+00 5.93750000e-01]
 [0.00000000e+00 0.00000000e+00 9.06250000e-01]
 [3.81683909e-36 0.00000000e+00 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([[2.5213446854806225, 1.822693222798345e-19, -4.2538314388211966e-37], [-1.2606723427403113, 2.183548549323105, -6.748548342509087e-37], [-2.50827117109502e-36, -6.736513945098151e-36, 8.234677259904924]])
forces =  [[ 1.65749188e-31  2.87086014e-31  1.93416952e-09]
 [-9.94495125e-31  5.74172028e-31  1.93416952e-09]
 [-4.97247563e-31  2.87086014e-31 -1.93416952e-09]
 [ 1.32599350e-30 -5.74172028e-31 -1.93416952e-09]
 [ 1.16024431e-30 -8.61258043e-31 -2.38325456e-09]
 [-8.28745938e-31  2.87086014e-31 -2.38325456e-09]
 [-1.16024431e-30  8.61258043e-31  2.38325456e-09]
 [ 8.28745938e-31 -2.87086014e-31  2.38325456e-09]]
stress =  [ 3.29001944e-11  3.29001944e-11 -2.58955290e-10 -9.14007504e-34
  1.58310743e-33 -7.00563833e-27]
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