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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_004
==== 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 16:48:45       -7.092644        0.0271
BFGS:    1 16:48:45       -7.092675        0.0260
BFGS:    2 16:48:45       -7.093032        0.0003
BFGS:    3 16:48:45       -7.093032        0.0000
BFGS:    4 16:48:45       -7.093032        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.881019090206597e-12 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.97028356e-38]]
cellpar =  Cell([[6.332024960929655, -1.7034193598492997e-33, 6.895778836086293e-34], [2.514194347477164e-33, 6.332024960929655, -2.1121295824581734e-21], [2.0502071949822097e-32, -2.1121295824782884e-21, 6.332024960929655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.88101909e-12  6.88101909e-12  6.88101909e-12 -1.52410027e-27
 -6.40462912e-36 -4.42049108e-53]
energy per atom =  -1.7732579298079418
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0