element(s):
['Ba']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0183']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ba']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.0183, 0, 0], [0, 5.0183, 0], [0, 0, 5.0183]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:49      -27.556546        12.793236
BFGS:    1 15:48:49      -29.245094         9.303242
BFGS:    2 15:48:49      -30.192012         2.640194
BFGS:    3 15:48:49      -30.235970         1.307021
BFGS:    4 15:48:49      -30.247700         0.098004
BFGS:    5 15:48:49      -30.247769         0.003284
BFGS:    6 15:48:49      -30.247769         0.000009
BFGS:    7 15:48:49      -30.247769         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3577640667432015e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.732946124886031, 6.48562354999495e-33, 3.117542256898047e-33], [7.965262877434038e-33, 4.732946124886031, 2.793491250623072e-17], [-2.5199533307003368e-33, 2.793491250623074e-17, 4.732946124886031]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.35776407e-11  1.35776407e-11  1.35776407e-11  2.80871250e-29
 -1.11171020e-60  1.87798857e-60]
energy per atom =  -15.123884733483596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0