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_1959LowCutoff_Ca__MO_887105884651_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 15:14:24       -6.815493         0.233327
BFGS:    1 15:14:24       -6.817761         0.220129
BFGS:    2 15:14:24       -6.837362         0.048841
BFGS:    3 15:14:24       -6.838397         0.000167
BFGS:    4 15:14:24       -6.838397         0.000003
BFGS:    5 15:14:24       -6.838397         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.486809769681913e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.616867002693183, 6.125030182451782e-33, -5.380697529136189e-34], [8.596692991874913e-33, 5.616867002693183, 9.598042983500705e-21], [5.905925628094615e-35, 9.598042983500793e-21, 5.616867002693183]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.48680977e-12 -4.48680977e-12 -4.48680977e-12 -1.78633229e-29
 -6.38697079e-62  1.21880574e-60]
energy per atom =  -1.7095991896252012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0