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 17:26:06       -1.433102         0.481907
BFGS:    1 17:26:07       -1.442134         0.393580
BFGS:    2 17:26:07       -1.463014         0.067485
BFGS:    3 17:26:07       -1.463948         0.020560
BFGS:    4 17:26:07       -1.464016         0.004244
BFGS:    5 17:26:07       -1.464019         0.000046
BFGS:    6 17:26:07       -1.464019         0.000000
BFGS:    7 17:26:07       -1.464019         0.000000
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, 3.417931292125938e-33, -3.369482955015292e-33], [1.3901348969111127e-32, 4.1417351270200315, -1.6020512493441685e-18], [3.463382852836099e-33, -1.6020512493441962e-18, 4.1417351270200315]])
forces =  [[0. 0. 0.]]
stress =  [3.93087022e-14 3.93087022e-14 3.93087022e-14 1.33098226e-32
 4.67804722e-37 7.35851548e-55]
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