element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:16      -24.612225        0.6850
BFGS:    1 15:41:16      -24.625391        0.5606
BFGS:    2 15:41:16      -24.655068        0.2712
BFGS:    3 15:41:16      -24.658098        0.1196
BFGS:    4 15:41:16      -24.658638        0.0143
BFGS:    5 15:41:16      -24.658644        0.0132
BFGS:    6 15:41:16      -24.658664        0.0004
BFGS:    7 15:41:16      -24.658664        0.0000
BFGS:    8 15:41:16      -24.658664        0.0000
BFGS:    9 15:41:16      -24.658664        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.88896676078798e-11 eV/Angstrom
Maximum stress component: 2.410665054152403e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 4.99999999e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.0554506061632885, 4.702401445180141e-18, 2.2979425689683588e-38], [-1.5277253030816442, 2.6460978449459684, -4.526414589936964e-39], [-6.649401513045507e-37, 3.654635713306053e-37, 4.989529946187278]])
forces =  [[-2.44798687e-31  7.61032395e-32  1.88896676e-11]
 [ 2.25968019e-31 -4.34875654e-32  1.88896676e-11]
 [ 1.88306682e-31 -1.52206479e-31 -1.88885713e-11]
 [-4.77043595e-31  1.30462696e-31 -1.88885713e-11]]
stress =  [ 1.65099899e-11  1.65099899e-11 -2.41066505e-11 -4.66793641e-34
 -8.08510303e-34  3.09808820e-27]
energy per atom =  -6.164666030249295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0