element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:47      -66.965925         6.576642
BFGS:    1 17:23:47      -68.286493         0.567008
BFGS:    2 17:23:48      -68.312600         0.513373
BFGS:    3 17:23:48      -68.340127         0.498703
BFGS:    4 17:23:48      -68.370901         0.547316
BFGS:    5 17:23:48      -68.409879         0.652382
BFGS:    6 17:23:48      -68.441356         0.494043
BFGS:    7 17:23:48      -68.454202         0.145321
BFGS:    8 17:23:48      -68.455325         0.018855
BFGS:    9 17:23:48      -68.455382         0.000697
BFGS:   10 17:23:48      -68.455382         0.000057
BFGS:   11 17:23:48      -68.455382         0.000001
BFGS:   12 17:23:48      -68.455382         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.9639252854183886e-09 eV/Angstrom
Maximum stress component: 1.2355124362871548e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.41035954 0.41035954 0.41035954]
 [0.08964046 0.58964046 0.91035954]
 [0.58964046 0.91035954 0.08964046]
 [0.91035954 0.08964046 0.58964046]
 [0.58964046 0.58964046 0.58964046]
 [0.91035954 0.41035954 0.08964046]
 [0.41035954 0.08964046 0.91035954]
 [0.08964046 0.91035954 0.41035954]
 [0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]]
cellpar =  Cell([[4.71607876168303, -6.7826774009958365e-37, 0.0], [-4.984395158452179e-37, 4.71607876168303, 0.0], [0.0, 0.0, 4.71607876168303]])
forces =  [[-1.96392529e-09 -1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09  1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09 -1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09  1.96392529e-09  1.96392529e-09]
 [ 1.96392529e-09  1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09 -1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09  1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09 -1.96392529e-09 -1.96392529e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [1.23551244e-10 1.23551244e-10 1.23551244e-10 0.00000000e+00
 0.00000000e+00 1.47783890e-33]
energy per atom =  -5.7046151990623555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0