element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:14      -58.318948        2.5032
BFGS:    1 16:46:14      -58.484639        2.1461
BFGS:    2 16:46:14      -58.674309        1.6650
BFGS:    3 16:46:14      -58.816691        1.2201
BFGS:    4 16:46:14      -58.911658        0.7937
BFGS:    5 16:46:14      -58.974111        0.3733
BFGS:    6 16:46:14      -58.991807        0.0502
BFGS:    7 16:46:14      -58.991861        0.0010
BFGS:    8 16:46:14      -58.991861        0.0002
BFGS:    9 16:46:14      -58.991861        0.0002
BFGS:   10 16:46:14      -58.991861        0.0001
BFGS:   11 16:46:14      -58.991861        0.0000
BFGS:   12 16:46:14      -58.991861        0.0000
BFGS:   13 16:46:14      -58.991861        0.0000
BFGS:   14 16:46:14      -58.991861        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.981047596273268e-10 eV/Angstrom
Maximum stress component: 9.38159332355745e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.85056663e-37 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [3.76892876e-37 9.16666667e-01 7.50454830e-01]
 [0.00000000e+00 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.555161093325934, 1.1309804143946704e-38, 0.0], [-1.2255396961750979e-36, 4.425668835031596, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 8.25500574e-47 -2.98104760e-10  0.00000000e+00]
 [ 6.29895842e-32  2.98104760e-10  0.00000000e+00]
 [ 8.25500574e-47 -2.98104760e-10  0.00000000e+00]
 [-1.57473960e-32  2.98104760e-10  0.00000000e+00]
 [ 8.25500574e-47 -2.98104760e-10  0.00000000e+00]
 [ 6.29895842e-32  2.98104760e-10  0.00000000e+00]
 [-3.14947921e-32 -2.98104760e-10  0.00000000e+00]
 [-1.57473960e-31  2.98104760e-10  0.00000000e+00]]
stress =  [ 9.38159332e-11 -7.47941603e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00  1.08999187e-33]
energy per atom =  -7.373982668919968
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0