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 09:57:25       -1.781264         0.376410
BFGS:    1 09:57:25       -1.786368         0.369094
BFGS:    2 09:57:25       -1.827320         0.306104
BFGS:    3 09:57:25       -1.857433         0.248741
BFGS:    4 09:57:26       -1.877703         0.194381
BFGS:    5 09:57:26       -1.889292         0.146044
BFGS:    6 09:57:26       -1.893826         0.101441
BFGS:    7 09:57:26       -1.894851         0.098941
BFGS:    8 09:57:26       -1.900656         0.109968
BFGS:    9 09:57:26       -1.907183         0.105633
BFGS:   10 09:57:26       -1.914335         0.086109
BFGS:   11 09:57:26       -1.921102         0.047033
BFGS:   12 09:57:26       -1.923575         0.055604
BFGS:   13 09:57:26       -1.924006         0.049346
BFGS:   14 09:57:26       -1.924183         0.041005
BFGS:   15 09:57:26       -1.924293         0.035627
BFGS:   16 09:57:26       -1.924585         0.033898
BFGS:   17 09:57:26       -1.925104         0.030215
BFGS:   18 09:57:26       -1.925906         0.020806
BFGS:   19 09:57:26       -1.926704         0.012723
BFGS:   20 09:57:26       -1.926949         0.006018
BFGS:   21 09:57:26       -1.926972         0.001152
BFGS:   22 09:57:26       -1.926973         0.000051
BFGS:   23 09:57:26       -1.926973         0.000003
BFGS:   24 09:57:26       -1.926973         0.000000
BFGS:   25 09:57:26       -1.926973         0.000000
BFGS:   26 09:57:26       -1.926973         0.000000
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