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_1990_SiC__MO_444207127575_000
==== 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      -24.767723        0.8148
BFGS:    1 15:41:16      -24.787847        0.6586
BFGS:    2 15:41:16      -24.833830        0.3046
BFGS:    3 15:41:16      -24.838692        0.1120
BFGS:    4 15:41:16      -24.839053        0.0183
BFGS:    5 15:41:16      -24.839067        0.0200
BFGS:    6 15:41:16      -24.839102        0.0164
BFGS:    7 15:41:16      -24.839116        0.0084
BFGS:    8 15:41:16      -24.839119        0.0021
BFGS:    9 15:41:16      -24.839119        0.0002
BFGS:   10 15:41:16      -24.839119        0.0000
BFGS:   11 15:41:16      -24.839119        0.0000
BFGS:   12 15:41:16      -24.839119        0.0000
BFGS:   13 15:41:16      -24.839119        0.0000
Minimization converged after 13 steps.
Maximum force component: 2.288311137799148e-10 eV/Angstrom
Maximum stress component: 1.1970046533784836e-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 5.00000001e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.045601032799292, 6.6103859474814055e-18, 1.0238518966695672e-36], [-1.522800516399646, 2.637567864196311, -9.709487172155445e-37], [2.7817943598896645e-36, -2.265765280400572e-36, 4.973445660302006]])
forces =  [[ 1.00106483e-30 -3.46779029e-31 -2.28830392e-10]
 [-3.00319448e-31  1.73389514e-31 -2.28830392e-10]
 [ 1.27991969e-46 -1.04249172e-46  2.28831114e-10]
 [ 1.27991969e-46 -1.04249172e-46  2.28831114e-10]]
stress =  [-2.66429050e-12 -2.66429050e-12 -1.19700465e-11  3.75854220e-33
 -2.16999535e-33 -4.46554090e-28]
energy per atom =  -6.209779826423777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0