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 16:34:45       -1.299752         0.602805
BFGS:    1 16:34:45       -1.313762         0.483365
BFGS:    2 16:34:45       -1.345119         0.126647
BFGS:    3 16:34:45       -1.347610         0.009846
BFGS:    4 16:34:45       -1.347626         0.000618
BFGS:    5 16:34:45       -1.347626         0.000003
BFGS:    6 16:34:45       -1.347626         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.621460078546767e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.184244362849383, -6.242897131880446e-34, 3.228752308089639e-34], [3.194009009859212e-33, 4.184244362849383, -2.4021360912387574e-18], [-8.291057920721513e-34, -2.4021360912387585e-18, 4.184244362849383]])
forces =  [[0. 0. 0.]]
stress =  [-1.62146008e-11 -1.62146008e-11 -1.62146008e-11  2.72159245e-28
 -9.16695628e-37 -5.38278579e-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