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_1959MedCutoff_Ba__MO_229241184339_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 16:50:22       -3.487573         0.037566
BFGS:    1 16:50:22       -3.487631         0.034391
BFGS:    2 16:50:22       -3.487934         0.000526
BFGS:    3 16:50:22       -3.487934         0.000008
BFGS:    4 16:50:22       -3.487934         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.643109004549432e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.034461094139344, -6.531999120545178e-33, 2.5676177107212793e-32], [2.473006343386315e-33, 5.034461094139344, -1.329815309818534e-21], [-6.892474551456147e-36, -1.3298153097925133e-21, 5.034461094139344]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.64310900e-11 -2.64310900e-11 -2.64310900e-11 -2.29050743e-28
  1.01314882e-35 -2.57896184e-51]
energy per atom =  -1.7439670168109285
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0