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_1959LowCutoff_Ba__MO_143487634619_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 15:12:42       -6.470307         0.167447
BFGS:    1 15:12:42       -6.471480         0.159592
BFGS:    2 15:12:42       -6.483596         0.009605
BFGS:    3 15:12:42       -6.483644         0.000601
BFGS:    4 15:12:43       -6.483644         0.000002
BFGS:    5 15:12:43       -6.483644         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.855413791692052e-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 2.39495843e-34]]
cellpar =  Cell([[6.4332805725262485, 1.8770822368785893e-32, 3.997254812666395e-33], [2.3044681434876367e-32, 6.4332805725262485, -1.8407235653336215e-17], [2.2935569035399512e-32, -1.8407235653336233e-17, 6.4332805725262485]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.85541379e-12 -9.85541379e-12 -9.85541379e-12  3.93541011e-29
  1.76737921e-59  4.44598837e-60]
energy per atom =  -1.6209109265183834
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0