element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.058']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.058, 0, 0], [0, 4.058, 0], [0, 0, 4.058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:28:26      -37.464961        15.491881
BFGS:    1 15:28:26      -39.657623        13.764508
BFGS:    2 15:28:26      -41.600386        12.158608
BFGS:    3 15:28:26      -43.310905        10.666703
BFGS:    4 15:28:26      -44.805744         9.281752
BFGS:    5 15:28:26      -46.100446         7.997123
BFGS:    6 15:28:26      -47.209584         6.806572
BFGS:    7 15:28:26      -48.146827         5.704221
BFGS:    8 15:28:26      -48.924983         4.684535
BFGS:    9 15:28:26      -49.556059         3.742304
BFGS:   10 15:28:26      -50.051301         2.872625
BFGS:   11 15:28:26      -50.421243         2.070883
BFGS:   12 15:28:26      -50.675746         1.332738
BFGS:   13 15:28:26      -50.824040         0.654104
BFGS:   14 15:28:26      -50.874533         0.052728
BFGS:   15 15:28:26      -50.874881         0.002357
BFGS:   16 15:28:26      -50.874882         0.000009
BFGS:   17 15:28:26      -50.874882         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5940033657500646e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.74513315e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.54998960e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.74513315e-34 5.00000000e-01]]
cellpar =  Cell([[4.414402290253971, -2.4278062421356416e-32, -9.842618175264656e-33], [-2.1132541153380177e-32, 4.414402290253971, 9.118266819376949e-18], [1.6573617325719288e-32, 9.118266819376926e-18, 4.414402290253971]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.59400337e-10 -1.59400337e-10 -1.59400337e-10 -1.23946830e-27
 -1.58130867e-34  6.95998915e-51]
energy per atom =  -6.359360268220215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0