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_1959LowCutoff_Ba__MO_143487634619_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 14:35:54       -1.443144        0.6229
BFGS:    1 14:35:54       -1.451082        0.4953
BFGS:    2 14:35:54       -1.468278        0.0553
BFGS:    3 14:35:54       -1.468390        0.0224
BFGS:    4 14:35:54       -1.468403        0.0116
BFGS:    5 14:35:55       -1.468412        0.0081
BFGS:    6 14:35:55       -1.468417        0.0023
BFGS:    7 14:35:55       -1.468417        0.0007
BFGS:    8 14:35:55       -1.468417        0.0001
BFGS:    9 14:35:55       -1.468417        0.0000
BFGS:   10 14:35:55       -1.468417        0.0000
BFGS:   11 14:35:55       -1.468417        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2514430251317726e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.406268316889764, -3.3678527346458566e-17, 6.04069234978801e-38], [-2.203134158444882, 3.8159402983170376, 3.0178096539562493e-38], [-1.9925984993096074e-37, -6.4305127550203584e-37, 4.1472280970120945]])
forces =  [[0. 0. 0.]]
stress =  [ 8.27668401e-12  8.27668401e-12  2.25144303e-11 -3.62458577e-48
 -1.48773823e-48 -3.98942979e-28]
energy per atom =  -1.4684172164238631
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0