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_1959HighCutoff_Ca__MO_159753408472_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 16:15:03       -7.421449         0.091996
BFGS:    1 16:15:04       -7.421803         0.087255
BFGS:    2 16:15:04       -7.425037         0.002751
BFGS:    3 16:15:04       -7.425041         0.000086
BFGS:    4 16:15:04       -7.425041         0.000000
BFGS:    5 16:15:04       -7.425041         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.77189223485776e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.46127811e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.559938661705851, 1.0856763599862419e-33, -8.234835057357208e-33], [2.373343083203075e-32, 5.559938661705851, -7.069635835986494e-18], [3.7368197966901876e-33, -7.069635835986508e-18, 5.559938661705851]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.77189223e-14 -6.77189223e-14 -6.77189223e-14 -6.19402151e-31
  4.14857376e-62 -3.53733018e-62]
energy per atom =  -1.8562601265611356
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0