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 16:43:40      -47.786523        9.9788
BFGS:    1 16:43:40      -49.287658        4.4662
BFGS:    2 16:43:40      -49.904434        2.1764
BFGS:    3 16:43:40      -50.072505        1.8072
BFGS:    4 16:43:40      -50.225117        1.4543
BFGS:    5 16:43:40      -50.349123        1.1572
BFGS:    6 16:43:40      -50.455856        1.0949
BFGS:    7 16:43:40      -50.547230        1.1008
BFGS:    8 16:43:40      -50.623146        0.9992
BFGS:    9 16:43:40      -50.683178        0.8120
BFGS:   10 16:43:40      -50.727187        0.7241
BFGS:   11 16:43:40      -50.754781        0.6541
BFGS:   12 16:43:40      -50.771571        0.5714
BFGS:   13 16:43:40      -50.790162        0.4687
BFGS:   14 16:43:40      -50.811689        0.5359
BFGS:   15 16:43:40      -50.834200        0.5974
BFGS:   16 16:43:40      -50.853047        0.4891
BFGS:   17 16:43:40      -50.859410        0.2250
BFGS:   18 16:43:40      -50.860209        0.0970
BFGS:   19 16:43:40      -50.860471        0.0200
BFGS:   20 16:43:40      -50.860489        0.0146
BFGS:   21 16:43:40      -50.860499        0.0129
BFGS:   22 16:43:40      -50.860507        0.0132
BFGS:   23 16:43:40      -50.860524        0.0107
BFGS:   24 16:43:40      -50.860537        0.0053
BFGS:   25 16:43:40      -50.860542        0.0012
BFGS:   26 16:43:40      -50.860542        0.0003
BFGS:   27 16:43:40      -50.860542        0.0000
BFGS:   28 16:43:40      -50.860542        0.0000
BFGS:   29 16:43:40      -50.860542        0.0000
BFGS:   30 16:43:40      -50.860542        0.0000
Minimization converged after 30 steps.
Maximum force component: 1.4706855733237485e-09 eV/Angstrom
Maximum stress component: 2.4486865637690035e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.94438583e-01 0.00000000e+00 0.00000000e+00]
 [4.05561417e-01 1.22807476e-35 0.00000000e+00]
 [9.44385830e-02 5.00000000e-01 0.00000000e+00]
 [9.05561417e-01 5.00000000e-01 0.00000000e+00]
 [6.95687369e-01 0.00000000e+00 5.00000000e-01]
 [3.04312631e-01 2.38959634e-35 5.00000000e-01]
 [1.95687369e-01 5.00000000e-01 5.00000000e-01]
 [8.04312631e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.28382818477812, -1.3015755300619969e-36, 0.0], [-1.736437356868712e-37, 2.5025873264194356, 0.0], [0.0, 0.0, 2.6036554186982324]])
forces =  [[ 1.47068557e-09 -2.31077747e-46  0.00000000e+00]
 [-1.47068557e-09  2.31077747e-46  0.00000000e+00]
 [ 1.47068557e-09 -2.31077747e-46  0.00000000e+00]
 [-1.47068557e-09  4.81980787e-34  0.00000000e+00]
 [-4.26036983e-11  6.69399824e-48 -2.24647716e-31]
 [ 4.26036983e-11 -6.69399824e-48  1.28370123e-31]
 [-4.26036983e-11  6.69399824e-48 -2.56740246e-31]
 [ 4.26036983e-11 -6.69399824e-48  1.28370123e-31]]
stress =  [-1.04787703e-10 -7.64928889e-11 -2.44868656e-10  0.00000000e+00
  0.00000000e+00 -6.78636305e-48]
energy per atom =  -6.357567765565719
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0