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 16:49:47       -6.815493        0.2333
BFGS:    1 16:49:47       -6.817761        0.2201
BFGS:    2 16:49:47       -6.837362        0.0488
BFGS:    3 16:49:47       -6.838397        0.0002
BFGS:    4 16:49:47       -6.838397        0.0000
BFGS:    5 16:49:47       -6.838397        0.0000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.33938793e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.616867002693183, 5.85072359703492e-33, -3.686265225550674e-34], [8.59669299255616e-33, 5.616867002693183, 9.598042983500521e-21], [1.7281714019637369e-34, 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  3.25363544e-29
 -1.18459724e-61  6.19525676e-61]
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