element(s):
['Si']
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:
['5.4673']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:30:59      -36.973612        0.2520
BFGS:    1 17:30:59      -36.976248        0.2362
BFGS:    2 17:30:59      -36.994803        0.0088
BFGS:    3 17:30:59      -36.994828        0.0003
BFGS:    4 17:30:59      -36.994828        0.0000
BFGS:    5 17:30:59      -36.994828        0.0000
Minimization converged after 5 steps.
Maximum force component: 8.069029089884644e-32 eV/Angstrom
Maximum stress component: 6.859482207145821e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 1.12987958e-32 0.00000000e+00]
 [1.36099223e-32 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([[5.429390202354321, 1.702525626865081e-33, 5.949422761191532e-34], [-2.081013809151437e-33, 5.429390202354321, -3.5678491396394805e-22], [3.2668243838120545e-34, -3.567849139643283e-22, 5.429390202354321]])
forces =  [[ 6.97108345e-33  5.57686676e-33  1.11537335e-32]
 [ 8.06902909e-32 -1.11537335e-32 -5.29802342e-32]
 [ 1.39996838e-65 -3.34612005e-32  1.95190337e-32]
 [-3.34612005e-32  3.48554172e-32  5.43744509e-32]
 [ 2.23074670e-32 -3.34612005e-32 -1.67306003e-32]
 [ 2.23074670e-32  5.57686676e-33  1.11537335e-32]
 [-1.04566252e-32  1.11537335e-32  1.25479502e-32]
 [-3.90380673e-32 -2.09132503e-32 -1.11537335e-32]]
stress =  [ 6.85948221e-13  6.85948221e-13  6.85948221e-13  8.52103793e-29
 -1.73564266e-62  3.89287585e-62]
energy per atom =  -4.624353470931098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0