element(s):
['K']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7492', '1.8014613', '1.4161543', '0.65848443']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_K__MO_836927321152_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.         0.65848443 0.25      ]]
spacegroup =  63
cell =  [[4.7492, 0, 0], [0, 8.5555, 0], [0, 0, 6.7256]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:40       -3.693256         0.251037
BFGS:    1 16:47:40       -3.694212         0.248925
BFGS:    2 16:47:40       -3.706839         0.220221
BFGS:    3 16:47:40       -3.718154         0.191797
BFGS:    4 16:47:40       -3.728171         0.164023
BFGS:    5 16:47:40       -3.736897         0.136405
BFGS:    6 16:47:40       -3.744333         0.109322
BFGS:    7 16:47:40       -3.750498         0.083164
BFGS:    8 16:47:40       -3.755401         0.082359
BFGS:    9 16:47:40       -3.759057         0.083733
BFGS:   10 16:47:40       -3.761471         0.083651
BFGS:   11 16:47:40       -3.762675         0.081891
BFGS:   12 16:47:40       -3.762918         0.079991
BFGS:   13 16:47:40       -3.763157         0.077362
BFGS:   14 16:47:40       -3.764026         0.066055
BFGS:   15 16:47:40       -3.765332         0.046540
BFGS:   16 16:47:40       -3.766943         0.030508
BFGS:   17 16:47:40       -3.767734         0.018762
BFGS:   18 16:47:40       -3.767861         0.015934
BFGS:   19 16:47:40       -3.767869         0.014467
BFGS:   20 16:47:40       -3.767877         0.013327
BFGS:   21 16:47:40       -3.767901         0.010601
BFGS:   22 16:47:40       -3.767950         0.011093
BFGS:   23 16:47:40       -3.768039         0.010986
BFGS:   24 16:47:40       -3.768139         0.007011
BFGS:   25 16:47:40       -3.768192         0.005035
BFGS:   26 16:47:40       -3.768203         0.004783
BFGS:   27 16:47:40       -3.768205         0.004710
BFGS:   28 16:47:40       -3.768209         0.004607
BFGS:   29 16:47:40       -3.768218         0.004390
BFGS:   30 16:47:41       -3.768241         0.003972
BFGS:   31 16:47:41       -3.768295         0.006926
BFGS:   32 16:47:41       -3.768400         0.010427
BFGS:   33 16:47:41       -3.768546         0.010709
BFGS:   34 16:47:41       -3.768654         0.006382
BFGS:   35 16:47:41       -3.768685         0.001716
BFGS:   36 16:47:41       -3.768688         0.000235
BFGS:   37 16:47:41       -3.768688         0.000015
BFGS:   38 16:47:41       -3.768688         0.000007
BFGS:   39 16:47:41       -3.768688         0.000000
BFGS:   40 16:47:41       -3.768688         0.000000
Minimization converged after 40 steps.
Maximum force component: 3.0524625693559213e-09 eV/Angstrom
Maximum stress component: 7.828443439744284e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.         0.66666666 0.25      ]
 [0.         0.33333334 0.75      ]
 [0.5        0.16666666 0.25      ]
 [0.5        0.83333334 0.75      ]]
cellpar =  Cell([[4.632818774208213, -1.4923157297438645e-37, 0.0], [-5.638079704242175e-37, 8.024277516858769, 0.0], [0.0, 0.0, 7.573182782004594]])
forces =  [[-2.14474477e-46  3.05246257e-09  2.33366712e-32]
 [ 2.14474477e-46 -3.05246257e-09 -2.33366712e-32]
 [-2.14474477e-46  3.05246257e-09  2.33366712e-32]
 [ 2.14474477e-46 -3.05246257e-09 -2.33366712e-32]]
stress =  [ 7.82844344e-11 -5.56471468e-11 -3.10761914e-11  0.00000000e+00
  0.00000000e+00  1.72302494e-47]
energy per atom =  -0.9421719880942148
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.