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 15:04:50       -7.421449         0.091996
BFGS:    1 15:04:50       -7.421803         0.087255
BFGS:    2 15:04:50       -7.425037         0.002751
BFGS:    3 15:04:50       -7.425041         0.000086
BFGS:    4 15:04:50       -7.425041         0.000000
BFGS:    5 15:04:50       -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, -3.922718064907592e-34, -8.90678733131487e-33], [2.2255482665532242e-32, 5.559938661705851, -7.069635835986495e-18], [2.3588568354867172e-33, -7.069635835986506e-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 -3.40602166e-30
  1.60577654e-62  6.30226294e-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