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 16:31:13      -13.994055        16.468851
BFGS:    1 16:31:13      -15.877802        15.224441
BFGS:    2 16:31:13      -17.577984        13.425256
BFGS:    3 16:31:13      -19.069206        11.042084
BFGS:    4 16:31:13      -20.373107         8.348531
BFGS:    5 16:31:13      -21.349295         6.111071
BFGS:    6 16:31:13      -22.007957         3.846200
BFGS:    7 16:31:13      -22.369159         1.378273
BFGS:    8 16:31:13      -22.435807         0.170806
BFGS:    9 16:31:13      -22.438088         0.313394
BFGS:   10 16:31:13      -22.441473         0.445699
BFGS:   11 16:31:13      -22.455333         0.749802
BFGS:   12 16:31:13      -22.470049         0.856174
BFGS:   13 16:31:13      -22.484194         0.837074
BFGS:   14 16:31:13      -22.497196         0.736092
BFGS:   15 16:31:13      -22.508040         0.569903
BFGS:   16 16:31:13      -22.515615         0.341850
BFGS:   17 16:31:13      -22.518573         0.038238
BFGS:   18 16:31:13      -22.518667         0.033937
BFGS:   19 16:31:13      -22.518717         0.007491
BFGS:   20 16:31:13      -22.518718         0.000937
BFGS:   21 16:31:13      -22.518718         0.000038
BFGS:   22 16:31:13      -22.518718         0.000001
BFGS:   23 16:31:13      -22.518718         0.000000
BFGS:   24 16:31:13      -22.518718         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.2989914829550367e-10 eV/Angstrom
Maximum stress component: 9.927635532995112e-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 4.00438401e-34]
 [1.86333805e-01 1.86333805e-01 3.00328801e-34]
 [1.86333805e-01 8.13666195e-01 8.00876802e-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([[6.217637362746125, -5.751847359869467e-36, 1.637660903607422e-32], [-1.3548040876614805e-35, 6.217637362746127, 1.3067204669390263e-17], [-1.1724836271123845e-32, 7.693202825535581e-18, 3.847642860225381]])
forces =  [[-1.29899148e-10 -1.29899148e-10 -2.71482977e-28]
 [ 1.29899148e-10  1.29899148e-10  2.73000604e-28]
 [ 1.29899148e-10 -1.29899148e-10 -2.73000604e-28]
 [-1.29899148e-10  1.29899148e-10  2.72241791e-28]
 [-1.29899148e-10 -1.29899148e-10 -2.71482977e-28]
 [ 1.29899148e-10  1.29899148e-10  2.73000604e-28]
 [ 1.29899148e-10 -1.29899148e-10 -2.73000604e-28]
 [-1.29899148e-10  1.29899148e-10  2.73000604e-28]]
stress =  [-9.92763553e-12 -9.92763553e-12 -6.47960348e-13 -9.41224711e-28
 -4.12183217e-33  1.02398485e-48]
energy per atom =  -2.814839811019454
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0