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 14:35:55       -1.575968        0.4752
BFGS:    1 14:35:55       -1.579933        0.3774
BFGS:    2 14:35:55       -1.588289        0.0505
BFGS:    3 14:35:55       -1.588509        0.0273
BFGS:    4 14:35:55       -1.588543        0.0202
BFGS:    5 14:35:55       -1.588558        0.0158
BFGS:    6 14:35:55       -1.588571        0.0024
BFGS:    7 14:35:55       -1.588571        0.0002
BFGS:    8 14:35:55       -1.588571        0.0000
BFGS:    9 14:35:55       -1.588571        0.0000
BFGS:   10 14:35:55       -1.588571        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.814344484365797e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.358342653718189, 5.822373916471525e-18, -9.980073660747848e-40], [-2.1791713268590946, 3.7744354565172364, -5.953865657291016e-39], [2.986524385997625e-36, 5.70584500545275e-36, 4.103913119780343]])
forces =  [[0. 0. 0.]]
stress =  [-8.73676247e-12 -8.73676247e-12 -7.81434448e-11 -1.21845687e-46
 -4.00301058e-47 -1.92290674e-27]
energy per atom =  -1.5885713909859125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0