element(s):
['Si']
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:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:20:35      -13.994055       16.4689
BFGS:    1 17:20:35      -15.877802       15.2244
BFGS:    2 17:20:35      -17.577984       13.4253
BFGS:    3 17:20:35      -19.069206       11.0421
BFGS:    4 17:20:35      -20.373107        8.3485
BFGS:    5 17:20:35      -21.349295        6.1111
BFGS:    6 17:20:35      -22.007957        3.8462
BFGS:    7 17:20:35      -22.369159        1.3783
BFGS:    8 17:20:35      -22.435807        0.1708
BFGS:    9 17:20:35      -22.438088        0.3134
BFGS:   10 17:20:35      -22.441473        0.4457
BFGS:   11 17:20:35      -22.455333        0.7498
BFGS:   12 17:20:35      -22.470049        0.8562
BFGS:   13 17:20:35      -22.484194        0.8371
BFGS:   14 17:20:35      -22.497196        0.7361
BFGS:   15 17:20:35      -22.508040        0.5699
BFGS:   16 17:20:35      -22.515615        0.3419
BFGS:   17 17:20:35      -22.518573        0.0382
BFGS:   18 17:20:35      -22.518667        0.0339
BFGS:   19 17:20:35      -22.518717        0.0075
BFGS:   20 17:20:35      -22.518718        0.0009
BFGS:   21 17:20:35      -22.518718        0.0000
BFGS:   22 17:20:35      -22.518718        0.0000
BFGS:   23 17:20:35      -22.518718        0.0000
BFGS:   24 17:20:35      -22.518718        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.2985697022890874e-10 eV/Angstrom
Maximum stress component: 9.930286703277466e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.13666195e-01 8.13666195e-01 1.40153440e-33]
 [1.86333805e-01 1.86333805e-01 5.50602802e-34]
 [1.86333805e-01 8.13666195e-01 4.00438401e-34]
 [8.13666195e-01 1.86333805e-01 4.00438401e-34]
 [3.13666195e-01 3.13666195e-01 5.00000000e-01]
 [6.86333805e-01 6.86333805e-01 5.00000000e-01]
 [6.86333805e-01 3.13666195e-01 5.00000000e-01]
 [3.13666195e-01 6.86333805e-01 5.00000000e-01]]
cellpar =  Cell([[6.217637362746127, 8.184330055593502e-35, 1.4955507221311914e-32], [8.476758464563056e-35, 6.217637362746127, -5.641364361160164e-18], [-7.076443539466369e-33, -3.835623887292201e-18, 3.8476428602253776]])
forces =  [[-1.29856970e-10 -1.29856970e-10  1.18580173e-28]
 [ 1.29856970e-10  1.29856970e-10 -1.18200766e-28]
 [ 1.29856970e-10 -1.29856970e-10  1.17821359e-28]
 [-1.29856970e-10  1.29856970e-10 -1.18580173e-28]
 [-1.29856970e-10 -1.29856970e-10  1.15165511e-28]
 [ 1.29856970e-10  1.29856970e-10 -1.17062545e-28]
 [ 1.29856970e-10 -1.29856970e-10  1.20097800e-28]
 [-1.29856970e-10  1.29856970e-10 -1.18580173e-28]]
stress =  [-9.93028670e-12 -9.93028670e-12 -6.55770552e-13 -3.78347881e-28
 -8.24366433e-33  5.66369548e-49]
energy per atom =  -2.8148398110194472
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0