element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:49      -39.495337        7.2174
BFGS:    1 17:18:49      -41.026721        3.1147
BFGS:    2 17:18:49      -41.306765        2.7358
BFGS:    3 17:18:49      -41.578888        2.3529
BFGS:    4 17:18:49      -41.818185        1.9849
BFGS:    5 17:18:49      -42.025243        1.6314
BFGS:    6 17:18:49      -42.200624        1.2918
BFGS:    7 17:18:49      -42.344844        0.9658
BFGS:    8 17:18:49      -42.458348        0.7367
BFGS:    9 17:18:49      -42.541448        0.5387
BFGS:   10 17:18:49      -42.594191        0.3419
BFGS:   11 17:18:49      -42.615591        0.1984
BFGS:   12 17:18:49      -42.617410        0.2354
BFGS:   13 17:18:49      -42.620207        0.2502
BFGS:   14 17:18:49      -42.624835        0.2134
BFGS:   15 17:18:49      -42.628704        0.1110
BFGS:   16 17:18:49      -42.630085        0.0225
BFGS:   17 17:18:49      -42.630260        0.0045
BFGS:   18 17:18:49      -42.630267        0.0006
BFGS:   19 17:18:49      -42.630267        0.0001
BFGS:   20 17:18:49      -42.630267        0.0000
BFGS:   21 17:18:50      -42.630267        0.0000
BFGS:   22 17:18:50      -42.630267        0.0000
BFGS:   23 17:18:50      -42.630267        0.0000
Minimization converged after 23 steps.
Maximum force component: 1.6477253244497808e-09 eV/Angstrom
Maximum stress component: 2.593503315524364e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.11633587e-01 8.11633587e-01 0.00000000e+00]
 [1.88366413e-01 1.88366413e-01 0.00000000e+00]
 [1.88366413e-01 8.11633587e-01 5.81080265e-34]
 [8.11633587e-01 1.88366413e-01 0.00000000e+00]
 [3.11633587e-01 3.11633587e-01 5.00000000e-01]
 [6.88366413e-01 6.88366413e-01 5.00000000e-01]
 [6.88366413e-01 3.11633587e-01 5.00000000e-01]
 [3.11633587e-01 6.88366413e-01 5.00000000e-01]]
cellpar =  Cell([[4.655077184091852, 1.4143879811466693e-35, 5.580255423974593e-33], [-2.083177428118672e-35, 4.6550771840918514, 1.2150484710779507e-17], [-6.68477901535644e-33, 7.166397374585425e-18, 2.6515165764631883]])
forces =  [[-1.64772532e-09 -1.64772532e-09 -4.30082673e-27]
 [ 1.64772532e-09  1.64772532e-09  4.30083081e-27]
 [ 1.64772532e-09 -1.64772532e-09 -4.30083899e-27]
 [-1.64772532e-09  1.64772532e-09  4.30081447e-27]
 [-1.64772532e-09 -1.64772532e-09 -4.30084716e-27]
 [ 1.64772532e-09  1.64772532e-09  4.30082264e-27]
 [ 1.64772532e-09 -1.64772532e-09 -4.30085533e-27]
 [-1.64772532e-09  1.64772532e-09  4.30081447e-27]]
stress =  [ 5.71467052e-11  5.71467052e-11  2.59350332e-10 -4.20935879e-26
  2.49654406e-34 -4.35048365e-50]
energy per atom =  -5.328783367302311
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0