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_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== 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 14:21:33      -26.874863       10.8406
BFGS:    1 14:21:33      -28.434719        9.9397
BFGS:    2 14:21:33      -29.852654        8.9560
BFGS:    3 14:21:33      -31.119294        7.9273
BFGS:    4 14:21:33      -32.229542        6.8719
BFGS:    5 14:21:33      -33.179367        5.7860
BFGS:    6 14:21:33      -33.962777        4.6489
BFGS:    7 14:21:33      -34.570304        3.4381
BFGS:    8 14:21:33      -34.990314        2.1511
BFGS:    9 14:21:33      -35.213581        0.8248
BFGS:   10 14:21:33      -35.252507        0.0143
BFGS:   11 14:21:33      -35.252519        0.0003
BFGS:   12 14:21:33      -35.252519        0.0000
BFGS:   13 14:21:33      -35.252519        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3312151220729926e-13 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 1.79059665e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.58119329e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.26840473e-68 3.97592325e-50]
 [0.00000000e+00 5.00000000e-01 1.79059665e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.302320010568905, -1.3527653318618976e-32, 1.7444423544688845e-33], [-1.6848656876487674e-32, 4.302320010568905, -8.947185571141601e-18], [-4.750379094858861e-34, -8.947185571141601e-18, 4.302320010568905]])
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 =  [-1.33121512e-13 -1.33121512e-13 -1.33121512e-13 -8.43528450e-31
 -8.32386545e-35  5.38716745e-52]
energy per atom =  -4.40656484941269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0