element(s):
['Ba']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.3471']
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 =  225
cell =  [[6.3471, 0, 0], [0, 6.3471, 0], [0, 0, 6.3471]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:56      -55.640822        14.445688
BFGS:    1 16:12:56      -57.736228        13.414182
BFGS:    2 16:12:56      -59.644206        11.893461
BFGS:    3 16:12:56      -61.268938         9.640628
BFGS:    4 16:12:56      -62.492659         6.511462
BFGS:    5 16:12:56      -63.183337         2.419538
BFGS:    6 16:12:56      -63.262445         0.723608
BFGS:    7 16:12:56      -63.269300         0.047323
BFGS:    8 16:12:56      -63.269330         0.000846
BFGS:    9 16:12:56      -63.269330         0.000001
BFGS:   10 16:12:56      -63.269330         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9210074489282104e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba', 'Ba', 'Ba']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.21083295e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.913618687442654, -1.8633070947712523e-32, -9.953402470321978e-33], [-2.0109643157467763e-32, 5.913618687442654, 3.489989271400152e-17], [6.094340029036813e-33, 3.48998927140015e-17, 5.913618687442655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.92100745e-13  3.92100745e-13  3.92100745e-13  1.53832388e-29
  1.08333470e-61 -4.01285857e-63]
energy per atom =  -15.817332447204434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0