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 15:28:24      -35.475403        10.456026
BFGS:    1 15:28:24      -36.969521         9.475043
BFGS:    2 15:28:24      -38.319529         8.523544
BFGS:    3 15:28:24      -39.522785         7.493384
BFGS:    4 15:28:24      -40.554542         6.202320
BFGS:    5 15:28:24      -41.360351         4.452287
BFGS:    6 15:28:24      -41.862673         2.160801
BFGS:    7 15:28:24      -41.993959         0.329109
BFGS:    8 15:28:24      -41.996986         0.005456
BFGS:    9 15:28:24      -41.996987         0.000005
BFGS:   10 15:28:24      -41.996987         0.000000
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