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_DuLenoskyHennig_2011_Si__SM_662785656123_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      -36.168112        0.7190
BFGS:    1 17:20:35      -36.187864        0.6970
BFGS:    2 17:20:35      -36.252824        0.5485
BFGS:    3 17:20:35      -36.286816        0.3586
BFGS:    4 17:20:35      -36.304935        0.4046
BFGS:    5 17:20:35      -36.314572        0.4004
BFGS:    6 17:20:35      -36.319446        0.3319
BFGS:    7 17:20:35      -36.322367        0.2690
BFGS:    8 17:20:35      -36.328257        0.1657
BFGS:    9 17:20:35      -36.334566        0.1617
BFGS:   10 17:20:35      -36.338530        0.0835
BFGS:   11 17:20:35      -36.339493        0.0212
BFGS:   12 17:20:35      -36.339562        0.0034
BFGS:   13 17:20:35      -36.339563        0.0002
BFGS:   14 17:20:35      -36.339563        0.0000
BFGS:   15 17:20:35      -36.339563        0.0000
BFGS:   16 17:20:35      -36.339563        0.0000
BFGS:   17 17:20:35      -36.339563        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.545311723372841e-10 eV/Angstrom
Maximum stress component: 1.1232785836471585e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18646567e-01 8.18646567e-01 1.57568261e-33]
 [1.81353433e-01 1.81353433e-01 0.00000000e+00]
 [1.81353433e-01 8.18646567e-01 1.57568261e-33]
 [8.18646567e-01 1.81353433e-01 0.00000000e+00]
 [3.18646567e-01 3.18646567e-01 5.00000000e-01]
 [6.81353433e-01 6.81353433e-01 5.00000000e-01]
 [6.81353433e-01 3.18646567e-01 5.00000000e-01]
 [3.18646567e-01 6.81353433e-01 5.00000000e-01]]
cellpar =  Cell([[6.50922559307417, 4.003638271672965e-36, 6.197256777449594e-33], [7.614349597807514e-37, 6.509225593074172, -1.0567272292929358e-17], [1.596039331518113e-32, -6.190906715522389e-18, 3.911305348136227]])
forces =  [[ 5.54531172e-10  5.54531172e-10 -9.00242557e-28]
 [-5.54531172e-10 -5.54531172e-10  9.00230505e-28]
 [-5.54531172e-10  5.54531172e-10 -9.00242557e-28]
 [ 5.54531172e-10 -5.54531172e-10  9.00218452e-28]
 [ 5.54531172e-10  5.54531172e-10 -9.00242557e-28]
 [-5.54531172e-10 -5.54531172e-10  9.00242557e-28]
 [-5.54531172e-10  5.54531172e-10 -9.00242557e-28]
 [ 5.54531172e-10 -5.54531172e-10  9.00218452e-28]]
stress =  [ 1.12327858e-10  1.12327858e-10  2.33916580e-11  4.68149853e-27
 -4.23898624e-43 -8.48366843e-59]
energy per atom =  -4.542445395778032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0