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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 16:54:35      -47.786523         9.978785
BFGS:    1 16:54:35      -49.287658         4.466205
BFGS:    2 16:54:35      -49.904434         2.176363
BFGS:    3 16:54:35      -50.072505         1.807161
BFGS:    4 16:54:35      -50.225117         1.454275
BFGS:    5 16:54:35      -50.349123         1.157227
BFGS:    6 16:54:35      -50.455856         1.094900
BFGS:    7 16:54:35      -50.547230         1.100799
BFGS:    8 16:54:36      -50.623146         0.999234
BFGS:    9 16:54:36      -50.683178         0.811955
BFGS:   10 16:54:36      -50.727187         0.724140
BFGS:   11 16:54:36      -50.754781         0.654101
BFGS:   12 16:54:36      -50.771571         0.571422
BFGS:   13 16:54:36      -50.790162         0.468691
BFGS:   14 16:54:36      -50.811689         0.535871
BFGS:   15 16:54:36      -50.834200         0.597420
BFGS:   16 16:54:36      -50.853047         0.489090
BFGS:   17 16:54:36      -50.859410         0.224973
BFGS:   18 16:54:36      -50.860209         0.096952
BFGS:   19 16:54:36      -50.860471         0.019989
BFGS:   20 16:54:36      -50.860489         0.014570
BFGS:   21 16:54:36      -50.860499         0.012869
BFGS:   22 16:54:36      -50.860507         0.013236
BFGS:   23 16:54:37      -50.860524         0.010681
BFGS:   24 16:54:37      -50.860537         0.005343
BFGS:   25 16:54:37      -50.860542         0.001183
BFGS:   26 16:54:37      -50.860542         0.000274
BFGS:   27 16:54:37      -50.860542         0.000026
BFGS:   28 16:54:37      -50.860542         0.000002
BFGS:   29 16:54:37      -50.860542         0.000000
BFGS:   30 16:54:37      -50.860542         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.4708219087111727e-09 eV/Angstrom
Maximum stress component: 2.4486539829840044e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.94438583e-01 1.24837500e-35 4.65998908e-35]
 [4.05561417e-01 3.00911860e-35 0.00000000e+00]
 [9.44385830e-02 5.00000000e-01 4.85953038e-35]
 [9.05561417e-01 5.00000000e-01 0.00000000e+00]
 [6.95687369e-01 0.00000000e+00 5.00000000e-01]
 [3.04312631e-01 1.27012767e-35 5.00000000e-01]
 [1.95687369e-01 5.00000000e-01 5.00000000e-01]
 [8.04312631e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.283828184778125, -1.3104216717887609e-36, 0.0], [2.7909991813374074e-37, 2.5025873264194356, 0.0], [0.0, 0.0, 2.6036554186982324]])
forces =  [[ 1.47082191e-09 -2.32669831e-46  0.00000000e+00]
 [-1.47082191e-09  2.32669831e-46  0.00000000e+00]
 [ 1.47082191e-09 -2.32669831e-46  0.00000000e+00]
 [-1.47082191e-09  2.32669831e-46  0.00000000e+00]
 [-4.27777813e-11 -2.46774163e-31  3.20925308e-32]
 [ 4.27777813e-11  2.46774163e-31  3.20925308e-32]
 [-4.27777813e-11 -1.23387081e-31  6.41850616e-32]
 [ 4.27777813e-11  1.23387081e-31 -4.41272298e-32]]
stress =  [-1.04784675e-10 -7.64942958e-11 -2.44865398e-10  0.00000000e+00
  0.00000000e+00  3.71603806e-35]
energy per atom =  -6.357567765565716
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0