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:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== 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 16:54:42      -57.222438         6.696876
BFGS:    1 16:54:42      -57.781159         2.419124
BFGS:    2 16:54:42      -57.929161         1.272448
BFGS:    3 16:54:42      -57.978136         1.239957
BFGS:    4 16:54:42      -58.071009         1.133845
BFGS:    5 16:54:42      -58.142063         1.019920
BFGS:    6 16:54:42      -58.197133         0.900649
BFGS:    7 16:54:42      -58.238903         0.776945
BFGS:    8 16:54:42      -58.269654         0.649341
BFGS:    9 16:54:42      -58.291694         0.518303
BFGS:   10 16:54:42      -58.307509         0.554658
BFGS:   11 16:54:42      -58.319885         0.608524
BFGS:   12 16:54:42      -58.331756         0.593570
BFGS:   13 16:54:42      -58.345395         0.471633
BFGS:   14 16:54:42      -58.357552         0.214279
BFGS:   15 16:54:42      -58.361636         0.055593
BFGS:   16 16:54:42      -58.362222         0.009898
BFGS:   17 16:54:42      -58.362242         0.002827
BFGS:   18 16:54:42      -58.362243         0.002207
BFGS:   19 16:54:42      -58.362243         0.001821
BFGS:   20 16:54:42      -58.362243         0.001181
BFGS:   21 16:54:42      -58.362243         0.001366
BFGS:   22 16:54:42      -58.362243         0.000726
BFGS:   23 16:54:42      -58.362243         0.000154
BFGS:   24 16:54:42      -58.362243         0.000010
BFGS:   25 16:54:42      -58.362243         0.000001
BFGS:   26 16:54:42      -58.362243         0.000000
BFGS:   27 16:54:42      -58.362243         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.4417368410235556e-09 eV/Angstrom
Maximum stress component: 9.087142195996397e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.92103452e-01 0.00000000e+00 0.00000000e+00]
 [4.07896548e-01 0.00000000e+00 1.28246434e-35]
 [9.21034517e-02 5.00000000e-01 0.00000000e+00]
 [9.07896548e-01 5.00000000e-01 1.19782874e-35]
 [6.91659749e-01 1.17841587e-36 5.00000000e-01]
 [3.08340251e-01 1.96941222e-37 5.00000000e-01]
 [1.91659749e-01 5.00000000e-01 5.00000000e-01]
 [8.08340251e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.8960977872559965, 1.0840696301633705e-36, 0.0], [-1.394903098470573e-36, 2.51406619283482, 0.0], [0.0, 0.0, 2.556709899144035]])
forces =  [[ 1.44173684e-09  1.23953033e-31  1.89083296e-31]
 [-1.44173684e-09 -1.08458904e-31  0.00000000e+00]
 [ 1.44173684e-09  6.19765166e-32  0.00000000e+00]
 [-1.44173684e-09  6.19765166e-32  0.00000000e+00]
 [ 1.94117430e-10  2.66507352e-47  0.00000000e+00]
 [-1.94117430e-10  7.74706458e-32  0.00000000e+00]
 [ 1.94117430e-10  2.61463430e-32  0.00000000e+00]
 [-1.94117430e-10  2.47906067e-31  0.00000000e+00]]
stress =  [-8.39033377e-10 -3.68026706e-10 -9.08714220e-10  0.00000000e+00
  0.00000000e+00 -2.48365475e-33]
energy per atom =  -7.2952803796888475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0