element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:43:41      -47.876071        9.6054
BFGS:    1 16:43:41      -49.346380        4.3535
BFGS:    2 16:43:41      -49.942017        2.1257
BFGS:    3 16:43:41      -50.103555        1.7728
BFGS:    4 16:43:42      -50.253036        1.4271
BFGS:    5 16:43:42      -50.375009        1.1348
BFGS:    6 16:43:42      -50.480472        1.1250
BFGS:    7 16:43:42      -50.571067        1.1213
BFGS:    8 16:43:42      -50.646508        1.0102
BFGS:    9 16:43:42      -50.706230        0.8135
BFGS:   10 16:43:42      -50.749983        0.7223
BFGS:   11 16:43:42      -50.777013        0.6501
BFGS:   12 16:43:42      -50.793788        0.5649
BFGS:   13 16:43:42      -50.812229        0.4613
BFGS:   14 16:43:42      -50.833681        0.5392
BFGS:   15 16:43:42      -50.856160        0.5941
BFGS:   16 16:43:42      -50.874901        0.4766
BFGS:   17 16:43:42      -50.880860        0.2144
BFGS:   18 16:43:42      -50.881598        0.0901
BFGS:   19 16:43:42      -50.881828        0.0200
BFGS:   20 16:43:42      -50.881845        0.0149
BFGS:   21 16:43:42      -50.881856        0.0134
BFGS:   22 16:43:42      -50.881865        0.0137
BFGS:   23 16:43:42      -50.881883        0.0109
BFGS:   24 16:43:42      -50.881896        0.0052
BFGS:   25 16:43:42      -50.881901        0.0012
BFGS:   26 16:43:42      -50.881902        0.0003
BFGS:   27 16:43:42      -50.881902        0.0000
BFGS:   28 16:43:42      -50.881902        0.0000
BFGS:   29 16:43:42      -50.881902        0.0000
BFGS:   30 16:43:42      -50.881902        0.0000
Minimization converged after 30 steps.
Maximum force component: 2.1566478186629827e-09 eV/Angstrom
Maximum stress component: 2.9863595113144945e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.94445548e-01 9.25114054e-36 4.39848003e-35]
 [4.05554452e-01 0.00000000e+00 1.14186333e-35]
 [9.44455483e-02 5.00000000e-01 4.48671557e-35]
 [9.05554452e-01 5.00000000e-01 4.60793499e-36]
 [6.95692395e-01 1.19724099e-35 5.00000000e-01]
 [3.04307605e-01 0.00000000e+00 5.00000000e-01]
 [1.95692395e-01 5.00000000e-01 5.00000000e-01]
 [8.04307605e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.279854568138838, -3.622844332748379e-36, 0.0], [-2.6088394376301966e-36, 2.5011684299275148, 0.0], [0.0, 0.0, 2.602308533224014]])
forces =  [[ 2.15664782e-09  1.28636430e-37  0.00000000e+00]
 [-2.15664782e-09  9.43639682e-46  0.00000000e+00]
 [ 2.15664782e-09  1.28636430e-37  0.00000000e+00]
 [-2.15664782e-09  9.43639682e-46  0.00000000e+00]
 [-1.36470109e-10  3.08292811e-32  0.00000000e+00]
 [ 1.36470109e-10  6.16585622e-32  0.00000000e+00]
 [-1.36470109e-10  1.00195164e-31  0.00000000e+00]
 [ 1.36470109e-10 -6.16585622e-32  0.00000000e+00]]
stress =  [-1.28693012e-10 -1.33993474e-10 -2.98635951e-10  0.00000000e+00
  0.00000000e+00 -1.21479551e-46]
energy per atom =  -6.360237690887771
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0