element(s):
['Ba']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9588']
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 =  221
cell =  [[3.9588, 0, 0], [0, 3.9588, 0], [0, 0, 3.9588]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:24:22       -1.299752        0.6028
BFGS:    1 18:24:22       -1.313762        0.4834
BFGS:    2 18:24:22       -1.345119        0.1266
BFGS:    3 18:24:22       -1.347610        0.0098
BFGS:    4 18:24:22       -1.347626        0.0006
BFGS:    5 18:24:22       -1.347626        0.0000
BFGS:    6 18:24:22       -1.347626        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6214600785467663e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.184244362849383, -8.851188320585258e-34, 2.0013279166992795e-34], [3.3167656331246015e-33, 4.184244362849383, -2.4021740215641713e-18], [-1.1985951754800447e-33, -2.402174021564173e-18, 4.184244362849383]])
forces =  [[0. 0. 0.]]
stress =  [-1.62146008e-11 -1.62146008e-11 -1.62146008e-11 -1.90867896e-28
 -9.16695628e-37  5.31235215e-53]
energy per atom =  -1.347626240880787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0