element(s):
['Ba']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0183']
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 =  229
cell =  [[5.0183, 0, 0], [0, 5.0183, 0], [0, 0, 5.0183]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:34       -3.537081        0.0167
BFGS:    1 17:45:34       -3.537092        0.0153
BFGS:    2 17:45:34       -3.537153        0.0001
BFGS:    3 17:45:34       -3.537153        0.0000
BFGS:    4 17:45:34       -3.537153        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.830756625353132e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.0255759926619525, 1.0612010216500456e-32, -4.676689906764585e-35], [5.73025555574682e-33, 5.0255759926619525, -2.4835907609912652e-21], [-5.688880816033311e-33, -2.4835907609888676e-21, 5.0255759926619525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.83075663e-13 -4.83075663e-13 -4.83075663e-13 -1.46858017e-28
  4.06693775e-35  6.27298166e-51]
energy per atom =  -1.7685766492476906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0