element(s):
['Ba']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.3471']
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 =  225
cell =  [[6.3471, 0, 0], [0, 6.3471, 0], [0, 0, 6.3471]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:42       -6.994256         0.003663
BFGS:    1 15:12:42       -6.994256         0.003511
BFGS:    2 15:12:43       -6.994263         0.000005
BFGS:    3 15:12:43       -6.994263         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.270386321728969e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba', 'Ba', 'Ba']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.85260423e-39 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.85260423e-39]]
cellpar =  Cell([[6.3450916009875895, -2.934100562054979e-34, -7.775814398232748e-35], [3.221857972366198e-34, 6.3450916009875895, -8.961290545582501e-23], [7.573396722019611e-36, -8.961290545622876e-23, 6.3450916009875895]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.27038632e-10  1.27038632e-10  1.27038632e-10 -5.13130255e-27
  2.59864730e-62  2.18393487e-60]
energy per atom =  -1.7485656867409187
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0