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_1959HighCutoff_Ca__MO_159753408472_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       -7.413444        0.1744
BFGS:    1 16:54:23       -7.414314        0.1667
BFGS:    2 16:54:23       -7.422434        0.0327
BFGS:    3 16:54:23       -7.422482        0.0298
BFGS:    4 16:54:23       -7.422521        0.0331
BFGS:    5 16:54:23       -7.422671        0.0400
BFGS:    6 16:54:23       -7.422971        0.0461
BFGS:    7 16:54:23       -7.423599        0.0473
BFGS:    8 16:54:23       -7.424376        0.0411
BFGS:    9 16:54:23       -7.424794        0.0249
BFGS:   10 16:54:23       -7.424935        0.0094
BFGS:   11 16:54:23       -7.424943        0.0070
BFGS:   12 16:54:23       -7.424945        0.0067
BFGS:   13 16:54:23       -7.424951        0.0059
BFGS:   14 16:54:23       -7.424962        0.0056
BFGS:   15 16:54:23       -7.424986        0.0063
BFGS:   16 16:54:23       -7.425016        0.0051
BFGS:   17 16:54:23       -7.425036        0.0021
BFGS:   18 16:54:23       -7.425040        0.0004
BFGS:   19 16:54:23       -7.425040        0.0001
BFGS:   20 16:54:23       -7.425041        0.0000
BFGS:   21 16:54:23       -7.425041        0.0000
BFGS:   22 16:54:23       -7.425041        0.0000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0922749582315925e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.01346963e-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([[5.559938666681255, 1.2839363823841427e-37, 0.0], [-2.4150722850521128e-36, 5.559938667951461, 0.0], [0.0, 0.0, 5.559938654539897]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.00979975e-10  1.09227496e-10  2.21453839e-11  0.00000000e+00
  0.00000000e+00 -4.98414273e-35]
energy per atom =  -1.856260126561092
===============================================
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.