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_2005_SiC__MO_903987585848_005
==== 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 14:21:32      -30.765997        9.6297
BFGS:    1 14:21:32      -32.141277        8.6597
BFGS:    2 14:21:32      -33.345177        7.3165
BFGS:    3 14:21:32      -34.311010        5.4746
BFGS:    4 14:21:32      -34.964012        3.1700
BFGS:    5 14:21:32      -35.251781        0.6665
BFGS:    6 14:21:32      -35.273082        0.4898
BFGS:    7 14:21:32      -35.317264        0.3097
BFGS:    8 14:21:33      -35.346215        0.0787
BFGS:    9 14:21:33      -35.348302        0.0033
BFGS:   10 14:21:33      -35.348306        0.0000
BFGS:   11 14:21:33      -35.348306        0.0000
BFGS:   12 14:21:33      -35.348306        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.078202775533431e-15 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 1.36118877e-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 3.22394263e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.28957705e-48 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.2446646438759466, 2.3513837425952507e-32, 9.731014250540892e-34], [3.2337697313864574e-32, 4.2446646438759466, -9.789770779870763e-19], [2.7342567626472307e-32, -9.78977077987107e-19, 4.2446646438759466]])
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 =  [-9.07820278e-15 -9.07820278e-15 -9.07820278e-15 -3.38744482e-30
  1.42525461e-35  4.01376759e-51]
energy per atom =  -4.418538248554335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0