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_Tersoff_1994_SiC__MO_794973922560_000
==== 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 16:58:45      -71.270629        10.686367
BFGS:    1 16:58:45      -74.149012         4.139774
BFGS:    2 16:58:45      -75.017023         1.787680
BFGS:    3 16:58:45      -75.392870         1.792104
BFGS:    4 16:58:45      -75.611324         1.712590
BFGS:    5 16:58:45      -75.799292         1.601002
BFGS:    6 16:58:45      -75.977525         1.470856
BFGS:    7 16:58:45      -76.149951         1.433666
BFGS:    8 16:58:45      -76.316214         1.469348
BFGS:    9 16:58:45      -76.474153         1.437432
BFGS:   10 16:58:45      -76.620292         1.339230
BFGS:   11 16:58:45      -76.749810         1.171062
BFGS:   12 16:58:46      -76.856292         0.924201
BFGS:   13 16:58:46      -76.931202         0.581294
BFGS:   14 16:58:46      -76.961978         0.094078
BFGS:   15 16:58:46      -76.962586         0.048771
BFGS:   16 16:58:46      -76.962865         0.000075
BFGS:   17 16:58:46      -76.962865         0.000001
BFGS:   18 16:58:46      -76.962865         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.3456469936596687e-11 eV/Angstrom
Maximum stress component: 3.601862301856674e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.03485344e-01 4.03485344e-01 4.03485344e-01]
 [9.65146564e-02 5.96514656e-01 9.03485344e-01]
 [5.96514656e-01 9.03485344e-01 9.65146564e-02]
 [9.03485344e-01 9.65146564e-02 5.96514656e-01]
 [5.96514656e-01 5.96514656e-01 5.96514656e-01]
 [9.03485344e-01 4.03485344e-01 9.65146564e-02]
 [4.03485344e-01 9.65146564e-02 9.03485344e-01]
 [9.65146564e-02 9.03485344e-01 4.03485344e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 1.61063496e-53 5.00000000e-01]
 [1.47258053e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.537552707639649, -1.7228173592523417e-37, 0.0], [-3.7372560164125395e-36, 4.537552707639649, 0.0], [0.0, 0.0, 4.537552707639649]])
forces =  [[-2.34564699e-11 -2.34564699e-11 -2.34564699e-11]
 [ 2.34564699e-11  2.34564699e-11 -2.34564699e-11]
 [ 2.34564699e-11 -2.34564699e-11  2.34564699e-11]
 [-2.34564699e-11  2.34564699e-11  2.34564699e-11]
 [ 2.34564699e-11  2.34564699e-11  2.34564699e-11]
 [-2.34564699e-11 -2.34564699e-11  2.34564699e-11]
 [-2.34564699e-11  2.34564699e-11 -2.34564699e-11]
 [ 2.34564699e-11 -2.34564699e-11 -2.34564699e-11]
 [ 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 =  [ 3.60186230e-12  3.60186230e-12  3.60186230e-12  0.00000000e+00
  0.00000000e+00 -9.57849059e-33]
energy per atom =  -6.413572080975449
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0