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 19:18:48      -37.464961        15.491881
BFGS:    1 19:18:48      -39.657623        13.764508
BFGS:    2 19:18:49      -41.600386        12.158608
BFGS:    3 19:18:49      -43.310905        10.666703
BFGS:    4 19:18:49      -44.805744         9.281752
BFGS:    5 19:18:49      -46.100446         7.997123
BFGS:    6 19:18:49      -47.209584         6.806572
BFGS:    7 19:18:49      -48.146827         5.704221
BFGS:    8 19:18:49      -48.924983         4.684535
BFGS:    9 19:18:49      -49.556059         3.742304
BFGS:   10 19:18:49      -50.051301         2.872625
BFGS:   11 19:18:49      -50.421243         2.070883
BFGS:   12 19:18:49      -50.675746         1.332738
BFGS:   13 19:18:49      -50.824040         0.654104
BFGS:   14 19:18:49      -50.874533         0.052728
BFGS:   15 19:18:49      -50.874881         0.002357
BFGS:   16 19:18:49      -50.874882         0.000009
BFGS:   17 19:18:49      -50.874882         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.594011655866341e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.74513315e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.54998960e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.74513315e-34]
 [2.32498441e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.41440229025397, 7.533097440743703e-33, -4.774879455596247e-33], [1.2304182161986995e-32, 4.41440229025397, 8.289725677958015e-18], [4.484775524399495e-33, 8.28972567795801e-18, 4.41440229025397]])
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 =  [-1.59401166e-10 -1.59401166e-10 -1.59401166e-10  5.78357855e-28
  2.54631127e-59  7.11198793e-59]
energy per atom =  -6.3593602682202235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0