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_1959LowCutoff_Ba__MO_143487634619_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 15:58:59       -3.228776         0.149408
BFGS:    1 15:58:59       -3.229688         0.135649
BFGS:    2 15:58:59       -3.234135         0.007427
BFGS:    3 15:58:59       -3.234149         0.000400
BFGS:    4 15:58:59       -3.234149         0.000001
BFGS:    5 15:58:59       -3.234149         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4006766387818396e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.079688233341052, 2.2809175337493804e-33, 2.223381634666179e-34], [4.155243125652471e-33, 5.079688233341052, 6.223497972296487e-20], [3.1487192273492445e-35, 6.223497972296489e-20, 5.079688233341052]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.40067664e-12 -3.40067664e-12 -3.40067664e-12 -8.98430152e-29
  6.21992464e-36  1.31559900e-52]
energy per atom =  -1.6170744379324762
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0