element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:30:05      -37.150279        0.3016
BFGS:    1 17:30:05      -37.154037        0.2799
BFGS:    2 17:30:05      -37.177439        0.0335
BFGS:    3 17:30:05      -37.177787        0.0006
BFGS:    4 17:30:05      -37.177787        0.0000
BFGS:    5 17:30:05      -37.177787        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.5882542722167594e-31 eV/Angstrom
Maximum stress component: 3.1994890056024926e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 1.92652913e-34 4.91058104e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.56783445e-35]
 [5.00000000e-01 1.86115180e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.4254524132799995, -1.4449788499899267e-33, 3.674215733207694e-35], [-8.046098418741251e-34, 5.4254524132799995, 2.0055425810974478e-20], [2.8247423291367224e-34, 2.005542581097459e-20, 5.4254524132799995]])
forces =  [[-3.90097541e-32  8.63787411e-32  1.11456440e-32]
 [-2.78641100e-32 -3.34369320e-32  4.45825761e-32]
 [-1.00310796e-31 -1.11456440e-32  5.01553981e-32]
 [ 3.34369320e-32 -1.58825427e-31 -2.78641100e-32]
 [-1.11456440e-32  1.00310796e-31  6.40874531e-32]
 [ 1.50466194e-31  1.50466194e-31  5.57282201e-32]
 [ 5.57282201e-33 -5.57282201e-32 -2.22912880e-32]
 [ 6.13010421e-32 -2.22912880e-32 -5.57282201e-33]]
stress =  [ 3.19948901e-12  3.19948901e-12  3.19948901e-12  4.16406584e-29
 -1.39581316e-34 -1.16679675e-51]
energy per atom =  -4.647223337947557
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0