element(s):
['Ba']
AFLOW prototype label:
A_tI8_140_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:
['8.2789', '0.9114979', '0.82334573']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ba']
representative atom coordinates =  [[0.82334573 0.32334573 0.        ]]
spacegroup =  140
cell =  [[8.2789, 0, 0], [0, 8.2789, 0], [0, 0, 7.5462]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:21:40     -102.163705        7.4251
BFGS:    1 17:21:40     -103.223829        6.5382
BFGS:    2 17:21:40     -104.022205        5.4190
BFGS:    3 17:21:40     -104.608628        4.1093
BFGS:    4 17:21:40     -104.997330        2.6810
BFGS:    5 17:21:40     -105.190751        1.0341
BFGS:    6 17:21:40     -105.216333        0.1670
BFGS:    7 17:21:40     -105.216969        0.0791
BFGS:    8 17:21:40     -105.217502        0.0629
BFGS:    9 17:21:40     -105.217614        0.0177
BFGS:   10 17:21:40     -105.217621        0.0022
BFGS:   11 17:21:40     -105.217622        0.0002
BFGS:   12 17:21:40     -105.217622        0.0000
BFGS:   13 17:21:40     -105.217622        0.0000
BFGS:   14 17:21:40     -105.217622        0.0000
BFGS:   15 17:21:40     -105.217622        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.641836585615699e-11 eV/Angstrom
Maximum stress component: 2.1176520005764763e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba']
basis =  [[8.25304848e-01 3.25304848e-01 4.23405963e-34]
 [1.74695152e-01 6.74695152e-01 0.00000000e+00]
 [6.74695152e-01 8.25304848e-01 4.23405963e-33]
 [3.25304848e-01 1.74695152e-01 1.69362385e-33]
 [1.74695152e-01 3.25304848e-01 5.00000000e-01]
 [8.25304848e-01 6.74695152e-01 5.00000000e-01]
 [3.25304848e-01 8.25304848e-01 5.00000000e-01]
 [6.74695152e-01 1.74695152e-01 5.00000000e-01]]
cellpar =  Cell([[8.055564936630736, -1.0673517566941764e-35, 2.872600961145354e-32], [-1.1575416807441668e-35, 8.055564936630736, -4.324098158749507e-17], [-3.144782315843099e-32, -1.767964750134147e-15, 7.2778566740938215]])
forces =  [[-3.64183659e-11 -3.64183659e-11  1.95308538e-28]
 [ 3.64183659e-11  3.64183659e-11 -1.95129125e-28]
 [ 3.64183659e-11 -3.64183659e-11  1.94770299e-28]
 [-3.64183659e-11  3.64183659e-11 -1.94949712e-28]
 [ 3.64183659e-11 -3.64183659e-11  1.94770299e-28]
 [-3.64183659e-11  3.64183659e-11 -1.94770299e-28]
 [-3.64183659e-11 -3.64183659e-11  1.95487951e-28]
 [ 3.64183659e-11  3.64183659e-11 -1.94949712e-28]]
stress =  [-2.11765200e-11 -2.11765200e-11 -8.45611174e-12 -3.96977801e-27
  3.36388345e-33  1.44222119e-49]
energy per atom =  -13.1522026897454
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0