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_TiSiC__MO_751442731010_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 16:26:46      -58.983359         0.091995
BFGS:    1 16:26:47      -58.983707         0.084325
BFGS:    2 16:26:47      -58.985522         0.000793
BFGS:    3 16:26:47      -58.985523         0.000007
BFGS:    4 16:26:47      -58.985523         0.000000
Minimization converged after 4 steps.
Maximum force component: 7.17864543905716e-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 =  [[5.32840618e-33 0.00000000e+00 0.00000000e+00]
 [5.64939450e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.06263016e-33]
 [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, -1.1522375258300922e-33, -1.1752890319464938e-35], [1.1522616189058718e-33, 3.565719849657385, -3.649177483241155e-21], [8.331236939295322e-33, -3.649177483241731e-21, 3.565719849657385]])
forces =  [[ 2.05104155e-31 -3.51607124e-31 -6.59263357e-32]
 [-1.61153265e-31 -4.39508904e-31  1.17202375e-31]
 [ 2.49055046e-31  3.36956827e-31  6.59263357e-32]
 [-1.46502968e-31  7.17864544e-31  4.39508904e-32]
 [-3.66257420e-32 -2.07093507e-52  2.02357225e-31]
 [-5.86011873e-32  5.42060982e-31 -1.64815839e-31]
 [ 3.66257420e-31 -6.95889099e-31  1.02637919e-31]
 [-2.16091878e-31  7.10539395e-31 -1.02552078e-31]]
stress =  [9.35867857e-11 9.35867857e-11 9.35867857e-11 2.07805160e-26
 2.01969032e-35 2.24231699e-51]
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