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 10:46:11     -142.554438         1.009699
BFGS:    1 10:46:12     -142.623804         0.585539
BFGS:    2 10:46:12     -142.650228         0.290284
BFGS:    3 10:46:12     -142.658179         0.278089
BFGS:    4 10:46:12     -142.664590         0.257652
BFGS:    5 10:46:12     -142.682596         0.312807
BFGS:    6 10:46:12     -142.700004         0.308959
BFGS:    7 10:46:12     -142.710056         0.148041
BFGS:    8 10:46:12     -142.711851         0.028866
BFGS:    9 10:46:12     -142.711967         0.001701
BFGS:   10 10:46:13     -142.711969         0.000210
BFGS:   11 10:46:13     -142.711969         0.000014
BFGS:   12 10:46:13     -142.711969         0.000000
BFGS:   13 10:46:13     -142.711969         0.000000
BFGS:   14 10:46:13     -142.711969         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.321421525708662e-09 eV/Angstrom
Maximum stress component: 7.786791577611131e-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([[5.252997597299476, -2.2807421419600937e-32, -8.585415259659373e-33], [-3.618930835241797e-32, 5.252997597299476, 5.826627361274109e-19], [2.494159691399909e-32, 5.82662736127406e-19, 5.252997597299476]])
forces =  [[-4.65406390e-10 -4.65406390e-10 -4.65406390e-10]
 [ 4.65406390e-10  4.65406390e-10 -4.65406390e-10]
 [ 4.65406390e-10 -4.65406390e-10  4.65406390e-10]
 [-4.65406390e-10  4.65406390e-10  4.65406390e-10]
 [-4.65406390e-10 -4.65406390e-10  4.65406390e-10]
 [ 4.65406390e-10  4.65406390e-10  4.65406390e-10]
 [-4.65406390e-10  4.65406390e-10 -4.65406390e-10]
 [ 4.65406390e-10 -4.65406390e-10 -4.65406390e-10]
 [-4.31654629e-32  1.32142153e-09  1.32142153e-09]
 [ 1.29496389e-31 -1.32142153e-09  1.32142153e-09]
 [-1.53778281e-41  1.32142153e-09 -1.32142153e-09]
 [ 1.07913657e-31 -1.32142153e-09 -1.32142153e-09]
 [ 1.32142153e-09  1.46485806e-28  1.32142153e-09]
 [ 1.32142153e-09 -1.46485806e-28 -1.32142153e-09]
 [-1.32142153e-09  1.46572137e-28  1.32142153e-09]
 [-1.32142153e-09 -1.46658468e-28 -1.32142153e-09]
 [ 1.32142153e-09  1.32142153e-09  1.46572137e-28]
 [-1.32142153e-09  1.32142153e-09  1.46658468e-28]
 [ 1.32142153e-09 -1.32142153e-09 -1.46507388e-28]
 [-1.32142153e-09 -1.32142153e-09 -1.46445338e-28]]
stress =  [ 7.78679158e-12  7.78679158e-12  7.78679158e-12  5.14310285e-28
 -2.38234571e-33 -8.96275227e-50]
energy per atom =  -7.135598443432608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0