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 19:15:10      -35.475403        10.456026
BFGS:    1 19:15:11      -36.969521         9.475043
BFGS:    2 19:15:11      -38.319529         8.523544
BFGS:    3 19:15:11      -39.522785         7.493384
BFGS:    4 19:15:11      -40.554542         6.202320
BFGS:    5 19:15:11      -41.360351         4.452287
BFGS:    6 19:15:11      -41.862673         2.160801
BFGS:    7 19:15:11      -41.993959         0.329109
BFGS:    8 19:15:11      -41.996986         0.005456
BFGS:    9 19:15:11      -41.996987         0.000005
BFGS:   10 19:15:11      -41.996987         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5699387792371e-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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [8.76083472e-67 3.64157582e-34 5.00000000e-01]]
cellpar =  Cell([[4.230981400811414, -6.039020041321967e-33, -2.4282141782532071e-32], [-1.0178815608797515e-32, 4.230981400811414, 1.8368515077278487e-17], [7.109522270389776e-33, 1.8368515077278468e-17, 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  1.48823281e-27
 -2.29518117e-34 -4.78211496e-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