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_GW_GaoWeber_2002_SiC__SM_606253546840_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      -19.069207       11.0421
BFGS:    4 17:20:35      -20.373108        8.3485
BFGS:    5 17:20:35      -21.349295        6.1111
BFGS:    6 17:20:35      -22.007958        3.8462
BFGS:    7 17:20:35      -22.369159        1.3783
BFGS:    8 17:20:35      -22.435808        0.1708
BFGS:    9 17:20:35      -22.438089        0.3134
BFGS:   10 17:20:35      -22.441474        0.4457
BFGS:   11 17:20:35      -22.455334        0.7498
BFGS:   12 17:20:35      -22.470050        0.8562
BFGS:   13 17:20:35      -22.484194        0.8371
BFGS:   14 17:20:35      -22.497197        0.7361
BFGS:   15 17:20:35      -22.508041        0.5699
BFGS:   16 17:20:35      -22.515616        0.3419
BFGS:   17 17:20:35      -22.518573        0.0382
BFGS:   18 17:20:35      -22.518668        0.0339
BFGS:   19 17:20:35      -22.518717        0.0075
BFGS:   20 17:20:35      -22.518719        0.0009
BFGS:   21 17:20:35      -22.518719        0.0000
BFGS:   22 17:20:35      -22.518719        0.0000
BFGS:   23 17:20:35      -22.518719        0.0000
BFGS:   24 17:20:35      -22.518719        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.2990458405151567e-10 eV/Angstrom
Maximum stress component: 9.928196918106649e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81366619 0.81366619 0.        ]
 [0.18633381 0.18633381 0.        ]
 [0.18633381 0.81366619 0.        ]
 [0.81366619 0.18633381 0.        ]
 [0.31366619 0.31366619 0.5       ]
 [0.68633381 0.68633381 0.5       ]
 [0.68633381 0.31366619 0.5       ]
 [0.31366619 0.68633381 0.5       ]]
cellpar =  Cell([[6.217637315948412, -3.15184136126914e-35, -1.0360835840947696e-32], [-7.653401988882069e-36, 6.217637315948412, 7.776525375111932e-18], [1.0849570512371246e-33, 3.7911902194887484e-18, 3.8476428788812176]])
forces =  [[-1.29904584e-10 -1.29904584e-10 -1.61336083e-28]
 [ 1.29904584e-10  1.29904584e-10  1.62094897e-28]
 [ 1.29904584e-10 -1.29904584e-10 -1.63897080e-28]
 [-1.29904584e-10  1.29904584e-10  1.61336083e-28]
 [-1.29904584e-10 -1.29904584e-10 -1.62094897e-28]
 [ 1.29904584e-10  1.29904584e-10  1.62094897e-28]
 [ 1.29904584e-10 -1.29904584e-10 -1.63612524e-28]
 [-1.29904584e-10  1.29904584e-10  1.62284600e-28]]
stress =  [-9.92819692e-12 -9.92819692e-12 -6.50109952e-13 -1.06176091e-27
 -1.44264126e-32 -2.82266719e-48]
energy per atom =  -2.8148398770550593
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0