element(s):
['K']
AFLOW prototype label:
A_tP4_123_l
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.6836', '0.43686232', '0.29480938']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.29480938 0.         0.        ]]
spacegroup =  123
cell =  [[9.6836, 0, 0], [0, 9.6836, 0], [0, 0, 4.2304]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:43:36       -1.781264        0.3764
BFGS:    1 17:43:36       -1.786368        0.3691
BFGS:    2 17:43:36       -1.827320        0.3061
BFGS:    3 17:43:36       -1.857433        0.2487
BFGS:    4 17:43:36       -1.877703        0.1944
BFGS:    5 17:43:36       -1.889292        0.1460
BFGS:    6 17:43:36       -1.893826        0.1014
BFGS:    7 17:43:36       -1.894851        0.0989
BFGS:    8 17:43:36       -1.900656        0.1100
BFGS:    9 17:43:36       -1.907183        0.1056
BFGS:   10 17:43:36       -1.914335        0.0861
BFGS:   11 17:43:36       -1.921102        0.0470
BFGS:   12 17:43:36       -1.923575        0.0556
BFGS:   13 17:43:36       -1.924006        0.0493
BFGS:   14 17:43:36       -1.924183        0.0410
BFGS:   15 17:43:36       -1.924293        0.0356
BFGS:   16 17:43:36       -1.924585        0.0339
BFGS:   17 17:43:36       -1.925104        0.0302
BFGS:   18 17:43:37       -1.925906        0.0208
BFGS:   19 17:43:37       -1.926704        0.0127
BFGS:   20 17:43:37       -1.926949        0.0060
BFGS:   21 17:43:37       -1.926972        0.0012
BFGS:   22 17:43:37       -1.926973        0.0001
BFGS:   23 17:43:37       -1.926973        0.0000
BFGS:   24 17:43:37       -1.926973        0.0000
BFGS:   25 17:43:37       -1.926973        0.0000
BFGS:   26 17:43:37       -1.926973        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.5853215261814428e-09 eV/Angstrom
Maximum stress component: 1.165965312943507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[3.01599047e-01 0.00000000e+00 0.00000000e+00]
 [6.98400953e-01 6.53778420e-35 9.81772882e-35]
 [6.92313746e-35 3.01599047e-01 1.31732829e-33]
 [9.58673643e-35 6.98400953e-01 1.58079395e-32]]
cellpar =  Cell([[10.466741427354416, 1.5166524047113114e-34, -1.208209832419461e-31], [9.384629599027976e-35, 10.466741427354414, -1.0613832746990931e-16], [-1.5505379156005185e-32, -4.844310494219713e-17, 4.67839024876123]])
forces =  [[-1.58532153e-09 -2.29716368e-44  1.12628167e-34]
 [ 1.58532153e-09  2.29716356e-44 -1.82998794e-41]
 [-1.42142188e-44 -1.58532153e-09  1.60760038e-26]
 [ 1.42142188e-44  1.58532153e-09 -1.60760038e-26]]
stress =  [-2.54821345e-12 -2.54821345e-12 -1.16596531e-11 -1.68147481e-27
 -1.96653893e-36 -3.90353179e-52]
energy per atom =  -0.48174333927601953
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0