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_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_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 10:18:50       -9.674142         0.862300
BFGS:    1 10:18:50       -9.701196         0.679702
BFGS:    2 10:18:50       -9.739079         0.144806
BFGS:    3 10:18:50       -9.739892         0.031167
BFGS:    4 10:18:50       -9.739929         0.035041
BFGS:    5 10:18:50       -9.740030         0.029634
BFGS:    6 10:18:50       -9.740066         0.013773
BFGS:    7 10:18:50       -9.740075         0.002273
BFGS:    8 10:18:50       -9.740075         0.000256
BFGS:    9 10:18:50       -9.740075         0.000014
BFGS:   10 10:18:50       -9.740075         0.000001
BFGS:   11 10:18:50       -9.740075         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.809578242275664e-33 eV/Angstrom
Maximum stress component: 4.328953873476061e-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, 6.222039479227398e-18, -1.8711028639441477e-37], [-1.459983452348639, 2.5287655176776576, 1.1237756595898904e-36], [7.733553591286983e-37, 4.429666536068369e-36, 4.6823921246710105]])
forces =  [[-7.94361730e-70 -4.54998796e-69 -4.80957824e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.32895387e-10  4.32895387e-10  3.98010512e-10 -4.85792605e-33
 -1.20202496e-33  1.13070094e-25]
energy per atom =  -4.870037627072213
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0