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_MEAM_Wagner_2007_SiC__SM_264944083668_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 09:48:35      -35.396030         0.705727
BFGS:    1 09:48:35      -35.408869         0.788907
BFGS:    2 09:48:35      -35.430395         0.756544
BFGS:    3 09:48:35      -35.455869         0.603045
BFGS:    4 09:48:35      -35.475069         0.403648
BFGS:    5 09:48:35      -35.487152         0.189898
BFGS:    6 09:48:35      -35.490932         0.180154
BFGS:    7 09:48:35      -35.492165         0.161161
BFGS:    8 09:48:35      -35.495173         0.136557
BFGS:    9 09:48:35      -35.498392         0.185725
BFGS:   10 09:48:35      -35.501724         0.148406
BFGS:   11 09:48:35      -35.502986         0.053311
BFGS:   12 09:48:35      -35.503153         0.005721
BFGS:   13 09:48:35      -35.503159         0.000707
BFGS:   14 09:48:35      -35.503159         0.000155
BFGS:   15 09:48:35      -35.503159         0.000019
BFGS:   16 09:48:35      -35.503159         0.000001
BFGS:   17 09:48:35      -35.503159         0.000000
BFGS:   18 09:48:35      -35.503159         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.6858128226715503e-09 eV/Angstrom
Maximum stress component: 1.215036825890202e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19054368e-01 8.19054368e-01 0.00000000e+00]
 [1.80945632e-01 1.80945632e-01 0.00000000e+00]
 [1.80945632e-01 8.19054368e-01 4.82867152e-35]
 [8.19054368e-01 1.80945632e-01 1.20716788e-35]
 [3.19054368e-01 3.19054368e-01 5.00000000e-01]
 [6.80945632e-01 6.80945632e-01 5.00000000e-01]
 [6.80945632e-01 3.19054368e-01 5.00000000e-01]
 [3.19054368e-01 6.80945632e-01 5.00000000e-01]]
cellpar =  Cell([[6.64737726029381, 2.571657573597231e-37, -1.567523943895135e-33], [-2.4601985425993965e-36, 6.64737726029381, -1.4776895371774486e-18], [-7.505495837370154e-33, -9.6716574729917e-19, 3.988529629542018]])
forces =  [[-1.68581282e-09 -1.68581282e-09  3.74750503e-28]
 [ 1.68581282e-09  1.68581282e-09 -3.74848828e-28]
 [ 1.68581282e-09 -1.68581282e-09  3.74750503e-28]
 [-1.68581282e-09  1.68581282e-09 -3.74750503e-28]
 [-1.68581282e-09 -1.68581282e-09  3.74750503e-28]
 [ 1.68581282e-09  1.68581282e-09 -3.74750503e-28]
 [ 1.68581282e-09 -1.68581282e-09  3.74799665e-28]
 [-1.68581282e-09  1.68581282e-09 -3.74750503e-28]]
stress =  [-1.81057482e-11 -1.81057482e-11  1.21503683e-10 -2.01014278e-27
 -9.29795212e-34  8.77386879e-65]
energy per atom =  -4.437894869605346
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0