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 17:32:04      -39.495337         7.217409
BFGS:    1 17:32:05      -41.026721         3.114702
BFGS:    2 17:32:05      -41.306765         2.735837
BFGS:    3 17:32:05      -41.578888         2.352907
BFGS:    4 17:32:05      -41.818185         1.984950
BFGS:    5 17:32:05      -42.025243         1.631372
BFGS:    6 17:32:05      -42.200624         1.291788
BFGS:    7 17:32:05      -42.344844         0.965787
BFGS:    8 17:32:05      -42.458348         0.736734
BFGS:    9 17:32:05      -42.541448         0.538656
BFGS:   10 17:32:05      -42.594191         0.341926
BFGS:   11 17:32:05      -42.615591         0.198439
BFGS:   12 17:32:05      -42.617410         0.235363
BFGS:   13 17:32:05      -42.620207         0.250165
BFGS:   14 17:32:05      -42.624835         0.213415
BFGS:   15 17:32:05      -42.628704         0.110976
BFGS:   16 17:32:05      -42.630085         0.022489
BFGS:   17 17:32:05      -42.630260         0.004523
BFGS:   18 17:32:05      -42.630267         0.000594
BFGS:   19 17:32:05      -42.630267         0.000090
BFGS:   20 17:32:05      -42.630267         0.000018
BFGS:   21 17:32:05      -42.630267         0.000001
BFGS:   22 17:32:05      -42.630267         0.000000
BFGS:   23 17:32:05      -42.630267         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.6477358905454727e-09 eV/Angstrom
Maximum stress component: 2.593481070654655e-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 0.00000000e+00]
 [8.11633587e-01 1.88366413e-01 1.81587583e-34]
 [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, -4.129074689230637e-36, 2.311637508104443e-33], [1.6389513585668585e-35, 4.655077184091852, 1.0370429858018485e-18], [5.276034071305996e-33, 5.631615032776333e-19, 2.6515165764631865]])
forces =  [[-1.64773589e-09 -1.64773589e-09 -3.67044571e-28]
 [ 1.64773589e-09  1.64773589e-09  3.67028230e-28]
 [ 1.64773589e-09 -1.64773589e-09 -3.67044571e-28]
 [-1.64773589e-09  1.64773589e-09  3.67044571e-28]
 [-1.64773589e-09 -1.64773589e-09 -3.67077254e-28]
 [ 1.64773589e-09  1.64773589e-09  3.67011889e-28]
 [ 1.64773589e-09 -1.64773589e-09 -3.67011889e-28]
 [-1.64773589e-09  1.64773589e-09  3.67044571e-28]]
stress =  [ 5.71469448e-11  5.71469448e-11  2.59348107e-10 -4.92019154e-26
 -7.48963219e-34  1.42088665e-49]
energy per atom =  -5.328783367302315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0