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 17:51:14       -1.443144         0.622948
BFGS:    1 17:51:14       -1.451082         0.495342
BFGS:    2 17:51:14       -1.468278         0.055333
BFGS:    3 17:51:14       -1.468390         0.022390
BFGS:    4 17:51:14       -1.468403         0.011565
BFGS:    5 17:51:14       -1.468412         0.008107
BFGS:    6 17:51:14       -1.468417         0.002264
BFGS:    7 17:51:14       -1.468417         0.000716
BFGS:    8 17:51:15       -1.468417         0.000077
BFGS:    9 17:51:15       -1.468417         0.000003
BFGS:   10 17:51:15       -1.468417         0.000000
BFGS:   11 17:51:15       -1.468417         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2514418689683587e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.406268316889766, 3.2406798344787546e-19, -4.8421452297889206e-37], [-2.203134158444883, 3.815940298317039, -8.882465938298131e-36], [-5.937854178485813e-35, 1.7565374558204637e-34, 4.1472280970120945]])
forces =  [[0. 0. 0.]]
stress =  [8.27676378e-12 8.27676378e-12 2.25144187e-11 1.18447971e-45
 6.34081347e-46 1.14936255e-27]
energy per atom =  -1.4684172164238645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0