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 10:49:43      -39.495337         7.217409
BFGS:    1 10:49:43      -41.026721         3.114702
BFGS:    2 10:49:43      -41.306765         2.735837
BFGS:    3 10:49:43      -41.578888         2.352907
BFGS:    4 10:49:43      -41.818185         1.984950
BFGS:    5 10:49:43      -42.025243         1.631372
BFGS:    6 10:49:43      -42.200624         1.291788
BFGS:    7 10:49:43      -42.344844         0.965787
BFGS:    8 10:49:43      -42.458348         0.736734
BFGS:    9 10:49:43      -42.541448         0.538656
BFGS:   10 10:49:43      -42.594191         0.341926
BFGS:   11 10:49:43      -42.615591         0.198439
BFGS:   12 10:49:43      -42.617410         0.235363
BFGS:   13 10:49:43      -42.620207         0.250165
BFGS:   14 10:49:44      -42.624835         0.213415
BFGS:   15 10:49:44      -42.628704         0.110976
BFGS:   16 10:49:44      -42.630085         0.022489
BFGS:   17 10:49:44      -42.630260         0.004523
BFGS:   18 10:49:44      -42.630267         0.000594
BFGS:   19 10:49:44      -42.630267         0.000090
BFGS:   20 10:49:44      -42.630267         0.000018
BFGS:   21 10:49:44      -42.630267         0.000001
BFGS:   22 10:49:44      -42.630267         0.000000
BFGS:   23 10:49:44      -42.630267         0.000000
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