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 16:48:56      -55.640822       14.4457
BFGS:    1 16:48:56      -57.736228       13.4142
BFGS:    2 16:48:56      -59.644206       11.8935
BFGS:    3 16:48:56      -61.268938        9.6406
BFGS:    4 16:48:56      -62.492659        6.5115
BFGS:    5 16:48:56      -63.183337        2.4195
BFGS:    6 16:48:56      -63.262445        0.7236
BFGS:    7 16:48:56      -63.269300        0.0473
BFGS:    8 16:48:57      -63.269330        0.0008
BFGS:    9 16:48:57      -63.269330        0.0000
BFGS:   10 16:48:57      -63.269330        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.921172036038967e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba', 'Ba', 'Ba']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.30166701e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.53651001e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.913618687442654, 5.2765649720898604e-33, 9.695319643481293e-33], [1.1184974202706558e-33, 5.913618687442654, 2.8248429940428737e-18], [-1.7984902282707103e-33, 2.8248429940428807e-18, 5.913618687442655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.92117204e-13  3.92117204e-13  3.92117204e-13  4.75828765e-29
 -7.55998740e-62 -1.36590354e-62]
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