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:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== 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 17:20:07      -35.396030        0.7057
BFGS:    1 17:20:07      -35.408869        0.7889
BFGS:    2 17:20:07      -35.430395        0.7565
BFGS:    3 17:20:07      -35.455869        0.6030
BFGS:    4 17:20:07      -35.475069        0.4036
BFGS:    5 17:20:07      -35.487152        0.1899
BFGS:    6 17:20:07      -35.490932        0.1802
BFGS:    7 17:20:07      -35.492165        0.1612
BFGS:    8 17:20:07      -35.495173        0.1366
BFGS:    9 17:20:07      -35.498392        0.1857
BFGS:   10 17:20:07      -35.501724        0.1484
BFGS:   11 17:20:07      -35.502986        0.0533
BFGS:   12 17:20:07      -35.503153        0.0057
BFGS:   13 17:20:07      -35.503159        0.0007
BFGS:   14 17:20:07      -35.503159        0.0002
BFGS:   15 17:20:07      -35.503159        0.0000
BFGS:   16 17:20:07      -35.503159        0.0000
BFGS:   17 17:20:08      -35.503159        0.0000
BFGS:   18 17:20:08      -35.503159        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.6857869544750776e-09 eV/Angstrom
Maximum stress component: 1.2150344301057868e-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 9.65734305e-35]
 [1.80945632e-01 8.19054368e-01 0.00000000e+00]
 [8.19054368e-01 1.80945632e-01 0.00000000e+00]
 [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([[6.647377260293814, -4.237369820836568e-36, 2.2999571517640682e-32], [-2.0852258495233146e-35, 6.6473772602938155, -1.802985222211511e-17], [-1.2960446366958672e-32, -1.038945235779936e-17, 3.988529629542019]])
forces =  [[-1.68578695e-09 -1.68578695e-09  4.57259994e-27]
 [ 1.68578695e-09  1.68578695e-09 -4.57240329e-27]
 [ 1.68578695e-09 -1.68578695e-09  4.57240329e-27]
 [-1.68578695e-09  1.68578695e-09 -4.57220664e-27]
 [-1.68578695e-09 -1.68578695e-09  4.57259994e-27]
 [ 1.68578695e-09  1.68578695e-09 -4.57240329e-27]
 [ 1.68578695e-09 -1.68578695e-09  4.57240329e-27]
 [-1.68578695e-09  1.68578695e-09 -4.57210832e-27]]
stress =  [-1.81045710e-11 -1.81045710e-11  1.21503443e-10  4.05570630e-27
 -2.00970970e-43 -8.92352116e-60]
energy per atom =  -4.437894869605345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0