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 11:19:04       -9.674142         0.862300
BFGS:    1 11:19:04       -9.701196         0.679702
BFGS:    2 11:19:04       -9.739079         0.144806
BFGS:    3 11:19:04       -9.739892         0.031167
BFGS:    4 11:19:04       -9.739929         0.035041
BFGS:    5 11:19:04       -9.740030         0.029634
BFGS:    6 11:19:04       -9.740066         0.013773
BFGS:    7 11:19:04       -9.740075         0.002273
BFGS:    8 11:19:04       -9.740075         0.000256
BFGS:    9 11:19:04       -9.740075         0.000014
BFGS:   10 11:19:04       -9.740075         0.000001
BFGS:   11 11:19:04       -9.740075         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.9238312969102664e-32 eV/Angstrom
Maximum stress component: 4.328958646373122e-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([[2.919966904697278, -8.699960583583619e-19, -2.3474527947638976e-37], [-1.459983452348639, 2.528765517677658, -2.3212865306204388e-38], [1.3744247972201765e-37, -4.933054287850888e-36, 4.682392124671012]])
forces =  [[ 5.64703120e-70 -2.02681962e-68  1.92383130e-32]
 [-5.64703120e-70  2.02681962e-68 -1.92383130e-32]]
stress =  [ 4.32895865e-10  4.32895865e-10  3.98010882e-10 -6.07240756e-34
  1.50253120e-34 -6.91150358e-26]
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