element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:27:12      -58.983359        0.0920
BFGS:    1 17:27:12      -58.983707        0.0843
BFGS:    2 17:27:12      -58.985522        0.0008
BFGS:    3 17:27:12      -58.985523        0.0000
BFGS:    4 17:27:12      -58.985523        0.0000
Minimization converged after 4 steps.
Maximum force component: 5.5671127894729e-31 eV/Angstrom
Maximum stress component: 9.358678570174852e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.60494162e-33 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.565719849657385, -1.755120553015597e-38, -7.780187459441386e-42], [0.0, 3.565719849657385, -2.9437507499548304e-41], [0.0, -3.0639785551888865e-41, 3.565719849657385]])
forces =  [[ 5.86011873e-32 -5.56711279e-31 -1.46502968e-32]
 [-1.46502968e-32 -2.49055046e-31 -1.61153265e-31]
 [ 8.79017809e-32  1.61153265e-31 -9.52269293e-32]
 [-5.86011873e-32  5.27410685e-31 -2.63705343e-31]
 [-3.66257420e-32 -1.46502968e-31  3.09029698e-31]
 [ 2.19754452e-31  1.97779007e-31 -1.68478413e-31]
 [ 8.79017809e-32 -3.66257420e-32  1.11737127e-31]
 [-3.66257420e-33  3.51607124e-31 -2.27079601e-31]]
stress =  [ 9.35867857e-11  9.35867857e-11  9.35867857e-11  5.62773184e-30
 -2.01969032e-35 -1.73937438e-54]
energy per atom =  -7.373190331188167
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0