element(s):
['Ca']
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:
['5.5236']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:49:47       -7.322332        0.1248
BFGS:    1 16:49:47       -7.322982        0.1182
BFGS:    2 16:49:47       -7.328804        0.0049
BFGS:    3 16:49:47       -7.328815        0.0002
BFGS:    4 16:49:47       -7.328815        0.0000
BFGS:    5 16:49:47       -7.328815        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.96402624385093e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.22794183e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.38253959e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.572151302883769, 9.030233659322138e-33, -3.287409633028765e-33], [1.0847056649724757e-32, 5.572151302883769, 9.669975761480535e-18], [3.023450700379573e-33, 9.669975761480531e-18, 5.572151302883769]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.96402624e-13 -6.96402624e-13 -6.96402624e-13 -2.91161227e-30
 -1.44531942e-61  1.77241888e-61]
energy per atom =  -1.8322037441456314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0