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_1959HighCutoff_Ba__MO_676977998912_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 17:51:15       -1.601411         0.449708
BFGS:    1 17:51:15       -1.604814         0.357736
BFGS:    2 17:51:15       -1.612027         0.047386
BFGS:    3 17:51:15       -1.612183         0.027528
BFGS:    4 17:51:15       -1.612215         0.020778
BFGS:    5 17:51:15       -1.612243         0.013316
BFGS:    6 17:51:15       -1.612250         0.003832
BFGS:    7 17:51:15       -1.612251         0.000364
BFGS:    8 17:51:15       -1.612251         0.000041
BFGS:    9 17:51:15       -1.612251         0.000002
BFGS:   10 17:51:15       -1.612251         0.000000
BFGS:   11 17:51:15       -1.612251         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.344699710422202e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.348658760823367, -1.5318211656552792e-17, -7.4809482019505e-37], [-2.1743293804116837, 3.766048959262792, 7.021516834664046e-37], [3.700074902708619e-36, 8.581117433962689e-36, 4.093224080256285]])
forces =  [[0. 0. 0.]]
stress =  [-4.34469971e-12 -4.34469971e-12 -4.12503314e-12 -3.07987336e-48
 -1.12883353e-48 -1.53273931e-27]
energy per atom =  -1.6122505263646103
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0