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_1959MedCutoff_Ca__MO_562200212426_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 09:43:32       -7.313906         0.193448
BFGS:    1 09:43:32       -7.315081         0.184323
BFGS:    2 09:43:32       -7.326096         0.041191
BFGS:    3 09:43:32       -7.326233         0.028881
BFGS:    4 09:43:32       -7.326257         0.030158
BFGS:    5 09:43:32       -7.326603         0.040044
BFGS:    6 09:43:32       -7.327067         0.042945
BFGS:    7 09:43:32       -7.327988         0.036806
BFGS:    8 09:43:32       -7.328443         0.025810
BFGS:    9 09:43:32       -7.328613         0.018185
BFGS:   10 09:43:32       -7.328650         0.010075
BFGS:   11 09:43:32       -7.328653         0.009181
BFGS:   12 09:43:32       -7.328663         0.008193
BFGS:   13 09:43:32       -7.328681         0.010482
BFGS:   14 09:43:32       -7.328721         0.012262
BFGS:   15 09:43:32       -7.328771         0.010503
BFGS:   16 09:43:32       -7.328806         0.004839
BFGS:   17 09:43:32       -7.328814         0.001208
BFGS:   18 09:43:32       -7.328815         0.000140
BFGS:   19 09:43:32       -7.328815         0.000013
BFGS:   20 09:43:32       -7.328815         0.000001
BFGS:   21 09:43:32       -7.328815         0.000000
BFGS:   22 09:43:32       -7.328815         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5149314267954022e-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([[5.572151302692173, 2.922813006177898e-38, 0.0], [-1.4490345158825703e-37, 5.572151303252573, 0.0], [0.0, 0.0, 5.5721513028067164]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.25262168e-13  3.51493143e-12  4.59659615e-13  0.00000000e+00
  0.00000000e+00 -9.98639980e-50]
energy per atom =  -1.8322037441456371
===============================================
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.