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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 14:21:31      -35.475403       10.4560
BFGS:    1 14:21:31      -36.969521        9.4750
BFGS:    2 14:21:31      -38.319529        8.5235
BFGS:    3 14:21:31      -39.522785        7.4934
BFGS:    4 14:21:31      -40.554542        6.2023
BFGS:    5 14:21:31      -41.360351        4.4523
BFGS:    6 14:21:31      -41.862673        2.1608
BFGS:    7 14:21:31      -41.993959        0.3291
BFGS:    8 14:21:31      -41.996986        0.0055
BFGS:    9 14:21:31      -41.996987        0.0000
BFGS:   10 14:21:31      -41.996987        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5699387792370983e-12 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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.61718453e-49 3.23436906e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.77811319e-34 5.00000000e-01]]
cellpar =  Cell([[4.230981400811414, 7.023588316194154e-33, -7.157630411447518e-33], [3.471008081170801e-33, 4.230981400811414, 9.217163785131559e-20], [-6.2985642760899e-33, 9.217163785133041e-20, 4.230981400811414]])
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 =  [ 3.56993878e-12  3.56993878e-12  3.56993878e-12  2.77461490e-28
 -3.44277176e-34  1.99063465e-50]
energy per atom =  -5.249623363249703
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0