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_1959MedCutoff_Ba__MO_229241184339_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       -1.433102        0.4819
BFGS:    1 18:24:22       -1.442134        0.3936
BFGS:    2 18:24:22       -1.463014        0.0675
BFGS:    3 18:24:22       -1.463948        0.0206
BFGS:    4 18:24:22       -1.464016        0.0042
BFGS:    5 18:24:22       -1.464019        0.0000
BFGS:    6 18:24:22       -1.464019        0.0000
BFGS:    7 18:24:22       -1.464019        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9308702216686363e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.1417351270200315, -9.056875873964698e-33, 2.6749708592324844e-34], [1.5885411943068557e-32, 4.1417351270200315, -2.376358651055063e-18], [-8.172754689437345e-33, -2.3763586510550506e-18, 4.1417351270200315]])
forces =  [[0. 0. 0.]]
stress =  [ 3.93087022e-14  3.93087022e-14  3.93087022e-14  1.63743562e-30
  7.78817248e-62 -8.36365265e-62]
energy per atom =  -1.4640190236034687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0