element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:14:26       -9.674142         0.862300
BFGS:    1 14:14:26       -9.701196         0.679702
BFGS:    2 14:14:26       -9.739079         0.144806
BFGS:    3 14:14:26       -9.739892         0.031167
BFGS:    4 14:14:26       -9.739929         0.035041
BFGS:    5 14:14:26       -9.740030         0.029634
BFGS:    6 14:14:26       -9.740066         0.013773
BFGS:    7 14:14:26       -9.740075         0.002273
BFGS:    8 14:14:26       -9.740075         0.000256
BFGS:    9 14:14:26       -9.740075         0.000014
BFGS:   10 14:14:26       -9.740075         0.000001
BFGS:   11 14:14:26       -9.740075         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.60718368170675e-33 eV/Angstrom
Maximum stress component: 4.3289435289168904e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.919966904697276, -9.035153292374267e-19, 4.994670706781357e-37], [-1.459983452348638, 2.528765517677656, 3.546132963011422e-37], [-5.6570644199727165e-37, 1.3993811659233775e-35, 4.682392124671013]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.35804391e-70  1.07804404e-68  3.60718368e-33]]
stress =  [4.32894353e-10 4.32894353e-10 3.98010325e-10 2.77595774e-33
 2.40404992e-33 1.43604474e-25]
energy per atom =  -4.870037627072212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0