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_1959HighCutoff_Ba__MO_676977998912_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 10:41:45       -1.458838         0.458646
BFGS:    1 10:41:45       -1.467035         0.376223
BFGS:    2 10:41:45       -1.485923         0.058593
BFGS:    3 10:41:45       -1.486474         0.008377
BFGS:    4 10:41:45       -1.486486         0.000250
BFGS:    5 10:41:45       -1.486486         0.000001
BFGS:    6 10:41:45       -1.486486         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.208631074434927e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.128730627230283, 1.796183376164581e-33, 3.467906144507814e-33], [2.3124124966491546e-33, 4.128730627230283, -9.048522669960172e-19], [1.722833066872772e-32, -9.048522669960331e-19, 4.128730627230283]])
forces =  [[0. 0. 0.]]
stress =  [-2.20863107e-12 -2.20863107e-12 -2.20863107e-12  9.74806756e-28
  2.09712350e-60  2.18525619e-61]
energy per atom =  -1.4864858394752418
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0