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_2005SiII_SiC__MO_408791041969_004
==== 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 16:21:17      -66.965924         6.576642
BFGS:    1 16:21:17      -68.286492         0.567008
BFGS:    2 16:21:17      -68.312599         0.513373
BFGS:    3 16:21:17      -68.340126         0.498703
BFGS:    4 16:21:17      -68.370900         0.547316
BFGS:    5 16:21:17      -68.409878         0.652382
BFGS:    6 16:21:17      -68.441355         0.494043
BFGS:    7 16:21:17      -68.454201         0.145321
BFGS:    8 16:21:17      -68.455324         0.018855
BFGS:    9 16:21:17      -68.455381         0.000697
BFGS:   10 16:21:17      -68.455381         0.000057
BFGS:   11 16:21:17      -68.455381         0.000001
BFGS:   12 16:21:17      -68.455381         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.0428503892276066e-09 eV/Angstrom
Maximum stress component: 1.2161943242922123e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.10359536e-01 4.10359536e-01 4.10359536e-01]
 [8.96404635e-02 5.89640464e-01 9.10359536e-01]
 [5.89640464e-01 9.10359536e-01 8.96404635e-02]
 [9.10359536e-01 8.96404635e-02 5.89640464e-01]
 [5.89640464e-01 5.89640464e-01 5.89640464e-01]
 [9.10359536e-01 4.10359536e-01 8.96404635e-02]
 [4.10359536e-01 8.96404635e-02 9.10359536e-01]
 [8.96404635e-02 9.10359536e-01 4.10359536e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [3.54209085e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.716078770069563, -6.330469545501351e-37, 0.0], [1.683162691027726e-36, 4.716078770069563, 0.0], [0.0, 0.0, 4.716078770069563]])
forces =  [[-2.04285039e-09 -2.04285039e-09 -2.04285039e-09]
 [ 2.04285039e-09  2.04285039e-09 -2.04285039e-09]
 [ 2.04285039e-09 -2.04285039e-09  2.04285039e-09]
 [-2.04285039e-09  2.04285039e-09  2.04285039e-09]
 [ 2.04285039e-09  2.04285039e-09  2.04285039e-09]
 [-2.04285039e-09 -2.04285039e-09  2.04285039e-09]
 [-2.04285039e-09  2.04285039e-09 -2.04285039e-09]
 [ 2.04285039e-09 -2.04285039e-09 -2.04285039e-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 =  [ 1.21619432e-10  1.21619432e-10  1.21619432e-10  0.00000000e+00
  0.00000000e+00 -1.16352746e-62]
energy per atom =  -5.704615117962298
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0