element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:35:09     -142.554438         1.009699
BFGS:    1 17:35:10     -142.623804         0.585539
BFGS:    2 17:35:10     -142.650228         0.290284
BFGS:    3 17:35:10     -142.658179         0.278089
BFGS:    4 17:35:10     -142.664590         0.257652
BFGS:    5 17:35:10     -142.682596         0.312807
BFGS:    6 17:35:10     -142.700004         0.308959
BFGS:    7 17:35:11     -142.710056         0.148041
BFGS:    8 17:35:11     -142.711851         0.028866
BFGS:    9 17:35:11     -142.711967         0.001701
BFGS:   10 17:35:11     -142.711969         0.000210
BFGS:   11 17:35:11     -142.711969         0.000014
BFGS:   12 17:35:11     -142.711969         0.000000
BFGS:   13 17:35:11     -142.711969         0.000000
BFGS:   14 17:35:12     -142.711969         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.3213830808340858e-09 eV/Angstrom
Maximum stress component: 7.787230710349043e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.26372908 0.26372908 0.26372908]
 [0.73627092 0.73627092 0.26372908]
 [0.73627092 0.26372908 0.73627092]
 [0.26372908 0.73627092 0.73627092]
 [0.26372908 0.26372908 0.73627092]
 [0.73627092 0.73627092 0.73627092]
 [0.26372908 0.73627092 0.26372908]
 [0.73627092 0.26372908 0.26372908]
 [0.5        0.15350444 0.15350444]
 [0.5        0.84649556 0.15350444]
 [0.5        0.15350444 0.84649556]
 [0.5        0.84649556 0.84649556]
 [0.15350444 0.5        0.15350444]
 [0.15350444 0.5        0.84649556]
 [0.84649556 0.5        0.15350444]
 [0.84649556 0.5        0.84649556]
 [0.15350444 0.15350444 0.5       ]
 [0.84649556 0.15350444 0.5       ]
 [0.15350444 0.84649556 0.5       ]
 [0.84649556 0.84649556 0.5       ]]
cellpar =  Cell([[5.252997597299475, -7.08320623686614e-35, -2.3912565741775723e-32], [1.7885744125420657e-32, 5.252997597299475, -2.2677759233309722e-20], [-2.1263776721073093e-32, -2.2677759233317353e-20, 5.252997597299475]])
forces =  [[-4.65396732e-10 -4.65396732e-10 -4.65396732e-10]
 [ 4.65396732e-10  4.65396732e-10 -4.65396732e-10]
 [ 4.65396732e-10 -4.65396732e-10  4.65396732e-10]
 [-4.65396732e-10  4.65396732e-10  4.65396732e-10]
 [-4.65396732e-10 -4.65396732e-10  4.65396732e-10]
 [ 4.65396732e-10  4.65396732e-10  4.65396732e-10]
 [-4.65396732e-10  4.65396732e-10 -4.65396732e-10]
 [ 4.65396732e-10 -4.65396732e-10 -4.65396732e-10]
 [-1.72661852e-31  1.32138308e-09  1.32138308e-09]
 [-8.63309258e-32 -1.32138308e-09  1.32138308e-09]
 [-8.63309258e-32  1.32138308e-09 -1.32138308e-09]
 [ 2.15827315e-31 -1.32138308e-09 -1.32138308e-09]
 [ 1.32138308e-09 -5.96354657e-30  1.32138308e-09]
 [ 1.32138308e-09  5.61822287e-30 -1.32138308e-09]
 [-1.32138308e-09 -5.53189194e-30  1.32138308e-09]
 [-1.32138308e-09  5.87721564e-30 -1.32138308e-09]
 [ 1.32138308e-09  1.32138308e-09 -5.96354657e-30]
 [-1.32138308e-09  1.32138308e-09 -5.79088472e-30]
 [ 1.32138308e-09 -1.32138308e-09  5.87721564e-30]
 [-1.32138308e-09 -1.32138308e-09  5.87721564e-30]]
stress =  [7.78723071e-12 7.78723071e-12 7.78723071e-12 3.12501573e-27
 5.95586427e-34 1.43883040e-49]
energy per atom =  -7.135598443432613
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0