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_1959MedCutoff_K__MO_202712315930_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       -3.618573         0.272555
BFGS:    1 16:47:40       -3.619646         0.269945
BFGS:    2 16:47:40       -3.632584         0.237042
BFGS:    3 16:47:40       -3.644000         0.205145
BFGS:    4 16:47:40       -3.653955         0.175099
BFGS:    5 16:47:40       -3.662578         0.148049
BFGS:    6 16:47:40       -3.669903         0.119218
BFGS:    7 16:47:40       -3.675931         0.091708
BFGS:    8 16:47:40       -3.680698         0.085505
BFGS:    9 16:47:40       -3.684191         0.090428
BFGS:   10 16:47:40       -3.686496         0.093807
BFGS:   11 16:47:40       -3.687684         0.095837
BFGS:   12 16:47:40       -3.688015         0.095347
BFGS:   13 16:47:40       -3.688483         0.092487
BFGS:   14 16:47:40       -3.689781         0.081079
BFGS:   15 16:47:40       -3.691652         0.062304
BFGS:   16 16:47:40       -3.694516         0.037515
BFGS:   17 16:47:40       -3.695708         0.015758
BFGS:   18 16:47:40       -3.695901         0.014618
BFGS:   19 16:47:40       -3.695909         0.012876
BFGS:   20 16:47:40       -3.695915         0.011947
BFGS:   21 16:47:40       -3.695940         0.010483
BFGS:   22 16:47:40       -3.695989         0.011270
BFGS:   23 16:47:40       -3.696084         0.010466
BFGS:   24 16:47:40       -3.696153         0.007343
BFGS:   25 16:47:40       -3.696213         0.004679
BFGS:   26 16:47:40       -3.696219         0.004673
BFGS:   27 16:47:40       -3.696212         0.004635
BFGS:   28 16:47:40       -3.696225         0.004547
BFGS:   29 16:47:40       -3.696227         0.004535
BFGS:   30 16:47:40       -3.696263         0.004226
BFGS:   31 16:47:40       -3.696315         0.008087
BFGS:   32 16:47:40       -3.696375         0.007752
BFGS:   33 16:47:40       -3.696661         0.002125
BFGS:   34 16:47:40       -3.696679         0.000682
BFGS:   35 16:47:40       -3.696681         0.000185
BFGS:   36 16:47:40       -3.696681         0.000025
BFGS:   37 16:47:40       -3.696681         0.000001
BFGS:   38 16:47:41       -3.696681         0.000000
BFGS:   39 16:47:41       -3.696681         0.000000
Minimization converged after 39 steps.
Maximum force component: 4.0186941209273276e-10 eV/Angstrom
Maximum stress component: 4.9452036368279854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[4.50508210e-36 6.66666666e-01 2.50000000e-01]
 [8.72199883e-36 3.33333334e-01 7.50000000e-01]
 [5.00000000e-01 1.66666666e-01 2.50000000e-01]
 [5.00000000e-01 8.33333334e-01 7.50000000e-01]]
cellpar =  Cell([[4.657469077578255, 4.6374097856479325e-37, 0.0], [4.38018247479735e-37, 8.066973072738229, 0.0], [0.0, 0.0, 7.608756228450881]])
forces =  [[ 2.18205929e-47  4.01869412e-10  0.00000000e+00]
 [-2.18205929e-47 -4.01869412e-10  0.00000000e+00]
 [ 1.23336938e-33  4.01869412e-10  0.00000000e+00]
 [-2.18205929e-47 -4.01869412e-10  0.00000000e+00]]
stress =  [3.96161193e-11 1.27391395e-11 4.94520364e-11 0.00000000e+00
 0.00000000e+00 8.20162448e-35]
energy per atom =  -0.9241701674683579
===============================================
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.