element(s):
['Ba']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2709', '0.92493385']
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 =  191
cell =  [[4.2709, 0, 0], [-2.13545, 3.698707897023, 0], [0, 0, 3.9503]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:51:13       -1.575968         0.475178
BFGS:    1 17:51:13       -1.579933         0.377385
BFGS:    2 17:51:13       -1.588289         0.050464
BFGS:    3 17:51:13       -1.588509         0.027262
BFGS:    4 17:51:13       -1.588543         0.020168
BFGS:    5 17:51:13       -1.588558         0.015823
BFGS:    6 17:51:13       -1.588571         0.002381
BFGS:    7 17:51:13       -1.588571         0.000245
BFGS:    8 17:51:13       -1.588571         0.000012
BFGS:    9 17:51:13       -1.588571         0.000001
BFGS:   10 17:51:13       -1.588571         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.814346684952832e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.358342653718191, 9.319853583996282e-18, -5.925215802042708e-39], [-2.1791713268590955, 3.7744354565172387, -1.5022308982418503e-38], [-3.457420958725846e-36, 4.008170454848866e-36, 4.103913119780343]])
forces =  [[0. 0. 0.]]
stress =  [-8.73669680e-12 -8.73669680e-12 -7.81434668e-11 -1.34920608e-46
 -5.70313945e-47  1.67740012e-27]
energy per atom =  -1.5885713909859132
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0