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 17:04:09       -7.413444         0.174405
BFGS:    1 17:04:09       -7.414314         0.166697
BFGS:    2 17:04:09       -7.422434         0.032654
BFGS:    3 17:04:09       -7.422482         0.029773
BFGS:    4 17:04:09       -7.422521         0.033074
BFGS:    5 17:04:09       -7.422671         0.040034
BFGS:    6 17:04:09       -7.422971         0.046127
BFGS:    7 17:04:09       -7.423599         0.047317
BFGS:    8 17:04:09       -7.424376         0.041082
BFGS:    9 17:04:09       -7.424794         0.024897
BFGS:   10 17:04:09       -7.424935         0.009371
BFGS:   11 17:04:09       -7.424943         0.006953
BFGS:   12 17:04:09       -7.424945         0.006712
BFGS:   13 17:04:09       -7.424951         0.005947
BFGS:   14 17:04:09       -7.424962         0.005614
BFGS:   15 17:04:09       -7.424986         0.006266
BFGS:   16 17:04:09       -7.425016         0.005115
BFGS:   17 17:04:09       -7.425036         0.002149
BFGS:   18 17:04:09       -7.425040         0.000402
BFGS:   19 17:04:09       -7.425040         0.000064
BFGS:   20 17:04:09       -7.425041         0.000005
BFGS:   21 17:04:09       -7.425041         0.000000
BFGS:   22 17:04:09       -7.425041         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.092275176733994e-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([[5.559938666681258, -2.222258230745319e-37, 0.0], [2.3460337340510894e-36, 5.559938667951461, 0.0], [0.0, 0.0, 5.559938654539895]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.00980030e-10 1.09227518e-10 2.21454113e-11 0.00000000e+00
 0.00000000e+00 3.48005368e-48]
energy per atom =  -1.8562601265610916
===============================================
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.