element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP8_186_ab_ab
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0934', '3.2733562', '0.00019436728', '0.18764075', '0.74957521', '0.93758968']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.9436728e-04]
 [3.3333333e-01 6.6666667e-01 7.4957521e-01]
 [0.0000000e+00 0.0000000e+00 1.8764075e-01]
 [3.3333333e-01 6.6666667e-01 9.3758968e-01]]
spacegroup =  186
cell =  [[3.0934, 0, 0], [-1.5467, 2.6789629840668, 0], [0, 0, 10.1258]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:56:38      -50.702045        0.2602
BFGS:    1 15:56:38      -50.704781        0.2169
BFGS:    2 15:56:38      -50.707834        0.1452
BFGS:    3 15:56:38      -50.710007        0.1754
BFGS:    4 15:56:38      -50.712463        0.1488
BFGS:    5 15:56:38      -50.713231        0.0588
BFGS:    6 15:56:38      -50.713367        0.0132
BFGS:    7 15:56:38      -50.713377        0.0079
BFGS:    8 15:56:38      -50.713380        0.0073
BFGS:    9 15:56:38      -50.713384        0.0065
BFGS:   10 15:56:38      -50.713389        0.0079
BFGS:   11 15:56:38      -50.713392        0.0048
BFGS:   12 15:56:38      -50.713393        0.0012
BFGS:   13 15:56:38      -50.713393        0.0001
BFGS:   14 15:56:38      -50.713393        0.0000
BFGS:   15 15:56:38      -50.713393        0.0000
BFGS:   16 15:56:38      -50.713393        0.0000
BFGS:   17 15:56:38      -50.713393        0.0000
BFGS:   18 15:56:38      -50.713393        0.0000
BFGS:   19 15:56:38      -50.713393        0.0000
Minimization converged after 19 steps.
Maximum force component: 3.853322355640287e-09 eV/Angstrom
Maximum stress component: 2.7537188952676237e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.20813991e-36 0.00000000e+00 1.82590557e-09]
 [0.00000000e+00 7.47108547e-36 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [0.00000000e+00 3.42797992e-37 1.87500002e-01]
 [6.30648283e-37 0.00000000e+00 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.0825103791276955, -1.7236539680754334e-18, 4.5196228276778684e-39], [-1.5412551895638478, 2.669532295753787, 8.343085783801304e-39], [-3.373458812422292e-37, -9.842537016038594e-37, 10.067436741246327]])
forces =  [[ 1.01319664e-31 -1.75490805e-31 -1.34961350e-09]
 [ 2.02639327e-31  1.31833095e-46 -1.34961350e-09]
 [ 1.01319664e-31  1.75490805e-31  3.85332236e-09]
 [ 3.03958991e-31  1.75490805e-31  3.85332236e-09]
 [ 9.27652820e-47  1.75490805e-31 -2.60055230e-09]
 [ 1.51979496e-31  8.77454026e-32 -2.60055230e-09]
 [-3.41953865e-31  2.41299857e-31  9.68420899e-11]
 [-2.02639327e-31 -1.75490805e-31  9.68420899e-11]]
stress =  [ 1.24702779e-10  1.24702779e-10  2.75371890e-10  3.28958605e-45
 -4.23668062e-33  1.29456638e-26]
energy per atom =  -6.339174124308629
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0