element(s):
['Ca']
AFLOW prototype label:
A_oF4_69_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6138', '0.95457622', '0.98761979']
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 =  69
cell =  [[5.3588, 0, 0], [0, 5.5443, 0], [0, 0, 5.6138]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:54:23       -6.800846        0.3348
BFGS:    1 16:54:23       -6.804483        0.3172
BFGS:    2 16:54:23       -6.830319        0.1451
BFGS:    3 16:54:23       -6.836032        0.0340
BFGS:    4 16:54:23       -6.836082        0.0305
BFGS:    5 16:54:23       -6.836122        0.0338
BFGS:    6 16:54:23       -6.836275        0.0404
BFGS:    7 16:54:23       -6.836569        0.0451
BFGS:    8 16:54:23       -6.837118        0.0426
BFGS:    9 16:54:23       -6.837714        0.0322
BFGS:   10 16:54:23       -6.837865        0.0233
BFGS:   11 16:54:23       -6.838052        0.0171
BFGS:   12 16:54:23       -6.837826        0.0254
BFGS:   13 16:54:23       -6.838150        0.0152
BFGS:   14 16:54:23       -6.838114        0.0149
BFGS:   15 16:54:23       -6.838180        0.0111
BFGS:   16 16:54:23       -6.838183        0.0110
BFGS:   17 16:54:23       -6.838266        0.0094
BFGS:   18 16:54:23       -6.838312        0.0065
BFGS:   19 16:54:23       -6.838341        0.0092
BFGS:   20 16:54:23       -6.838349        0.0101
BFGS:   21 16:54:23       -6.838356        0.0102
BFGS:   22 16:54:23       -6.838369        0.0089
BFGS:   23 16:54:23       -6.838385        0.0053
BFGS:   24 16:54:23       -6.838395        0.0020
BFGS:   25 16:54:23       -6.838397        0.0003
BFGS:   26 16:54:23       -6.838397        0.0001
BFGS:   27 16:54:23       -6.838397        0.0000
BFGS:   28 16:54:23       -6.838397        0.0000
BFGS:   29 16:54:23       -6.838397        0.0000
Minimization converged after 29 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.882023919187616e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.23052897e-53 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([[5.616867002106159, 2.498026632826906e-36, 0.0], [-6.005325804119299e-37, 5.616866995919288, 0.0], [0.0, 0.0, 5.616867015656465]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.08199051e-11 3.17906367e-11 1.88202392e-10 0.00000000e+00
 0.00000000e+00 3.81533101e-37]
energy per atom =  -1.709599189625201
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF4_69_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.