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 16:38:00       -3.693256        0.2510
BFGS:    1 16:38:00       -3.694212        0.2489
BFGS:    2 16:38:00       -3.706839        0.2202
BFGS:    3 16:38:00       -3.718154        0.1918
BFGS:    4 16:38:00       -3.728171        0.1640
BFGS:    5 16:38:00       -3.736897        0.1364
BFGS:    6 16:38:00       -3.744333        0.1093
BFGS:    7 16:38:00       -3.750498        0.0832
BFGS:    8 16:38:00       -3.755401        0.0824
BFGS:    9 16:38:00       -3.759057        0.0837
BFGS:   10 16:38:00       -3.761471        0.0837
BFGS:   11 16:38:00       -3.762675        0.0819
BFGS:   12 16:38:00       -3.762918        0.0800
BFGS:   13 16:38:00       -3.763157        0.0774
BFGS:   14 16:38:00       -3.764026        0.0661
BFGS:   15 16:38:00       -3.765332        0.0465
BFGS:   16 16:38:00       -3.766943        0.0305
BFGS:   17 16:38:00       -3.767734        0.0188
BFGS:   18 16:38:00       -3.767861        0.0159
BFGS:   19 16:38:00       -3.767869        0.0145
BFGS:   20 16:38:00       -3.767877        0.0133
BFGS:   21 16:38:00       -3.767901        0.0106
BFGS:   22 16:38:00       -3.767950        0.0111
BFGS:   23 16:38:00       -3.768039        0.0110
BFGS:   24 16:38:00       -3.768139        0.0070
BFGS:   25 16:38:00       -3.768192        0.0050
BFGS:   26 16:38:00       -3.768203        0.0048
BFGS:   27 16:38:00       -3.768205        0.0047
BFGS:   28 16:38:00       -3.768209        0.0046
BFGS:   29 16:38:00       -3.768218        0.0044
BFGS:   30 16:38:00       -3.768241        0.0040
BFGS:   31 16:38:00       -3.768295        0.0069
BFGS:   32 16:38:00       -3.768400        0.0104
BFGS:   33 16:38:00       -3.768546        0.0107
BFGS:   34 16:38:00       -3.768654        0.0064
BFGS:   35 16:38:00       -3.768685        0.0017
BFGS:   36 16:38:00       -3.768688        0.0002
BFGS:   37 16:38:00       -3.768688        0.0000
BFGS:   38 16:38:00       -3.768688        0.0000
BFGS:   39 16:38:00       -3.768688        0.0000
BFGS:   40 16:38:00       -3.768688        0.0000
Minimization converged after 40 steps.
Maximum force component: 3.0524627737076664e-09 eV/Angstrom
Maximum stress component: 7.828442331088348e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[3.24436441e-36 6.66666663e-01 2.50000000e-01]
 [4.42432426e-36 3.33333337e-01 7.50000000e-01]
 [5.00000000e-01 1.66666663e-01 2.50000000e-01]
 [5.00000000e-01 8.33333337e-01 7.50000000e-01]]
cellpar =  Cell([[4.632818774208211, -2.2386085533856457e-37, 0.0], [-2.405384581454393e-36, 8.02427751685877, 0.0], [0.0, 0.0, 7.573182782004588]])
forces =  [[ 1.11531055e-34  3.05246277e-09  0.00000000e+00]
 [-2.23062110e-34 -3.05246277e-09  0.00000000e+00]
 [-9.15016570e-46  3.05246277e-09 -1.16683356e-32]
 [ 9.15016570e-46 -3.05246277e-09  0.00000000e+00]]
stress =  [ 7.82844233e-11 -5.56471557e-11 -3.10762221e-11  0.00000000e+00
  0.00000000e+00  4.14456753e-35]
energy per atom =  -0.9421719880942168
===============================================
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.