element(s):
['Ba']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9588']
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 =  221
cell =  [[3.9588, 0, 0], [0, 3.9588, 0], [0, 0, 3.9588]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:24:32       -9.878274       11.5593
BFGS:    1 18:24:32      -10.325450        3.1710
BFGS:    2 18:24:32      -10.395634        1.0978
BFGS:    3 18:24:32      -10.403751        0.1160
BFGS:    4 18:24:32      -10.403834        0.0146
BFGS:    5 18:24:32      -10.403835        0.0001
BFGS:    6 18:24:32      -10.403835        0.0000
BFGS:    7 18:24:32      -10.403835        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5960686158572207e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.093481812663872, -3.261058049379837e-33, 1.2002854711389402e-33], [5.651471599002352e-33, 4.093481812663872, 6.130120680342625e-19], [-1.2193744338536419e-32, 6.130120680342764e-19, 4.093481812663872]])
forces =  [[0. 0. 0.]]
stress =  [ 2.59606862e-15  2.59606862e-15  2.59606862e-15 -3.35475692e-31
  3.83118833e-36 -1.25502535e-51]
energy per atom =  -10.403835341836956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0