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 09:48:36      -13.994055        16.468851
BFGS:    1 09:48:36      -15.877802        15.224441
BFGS:    2 09:48:36      -17.577984        13.425256
BFGS:    3 09:48:36      -19.069206        11.042084
BFGS:    4 09:48:36      -20.373107         8.348531
BFGS:    5 09:48:36      -21.349295         6.111071
BFGS:    6 09:48:36      -22.007957         3.846200
BFGS:    7 09:48:36      -22.369159         1.378273
BFGS:    8 09:48:36      -22.435807         0.170806
BFGS:    9 09:48:36      -22.438088         0.313394
BFGS:   10 09:48:36      -22.441473         0.445699
BFGS:   11 09:48:36      -22.455333         0.749802
BFGS:   12 09:48:36      -22.470049         0.856174
BFGS:   13 09:48:36      -22.484194         0.837074
BFGS:   14 09:48:36      -22.497196         0.736092
BFGS:   15 09:48:36      -22.508040         0.569903
BFGS:   16 09:48:36      -22.515615         0.341850
BFGS:   17 09:48:36      -22.518573         0.038238
BFGS:   18 09:48:36      -22.518667         0.033937
BFGS:   19 09:48:36      -22.518717         0.007491
BFGS:   20 09:48:36      -22.518718         0.000937
BFGS:   21 09:48:36      -22.518718         0.000038
BFGS:   22 09:48:36      -22.518718         0.000001
BFGS:   23 09:48:36      -22.518718         0.000000
BFGS:   24 09:48:36      -22.518718         0.000000
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