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 16:56:31       -1.781264         0.376410
BFGS:    1 16:56:31       -1.786368         0.369094
BFGS:    2 16:56:31       -1.827320         0.306104
BFGS:    3 16:56:31       -1.857433         0.248741
BFGS:    4 16:56:31       -1.877703         0.194381
BFGS:    5 16:56:31       -1.889292         0.146044
BFGS:    6 16:56:31       -1.893826         0.101441
BFGS:    7 16:56:31       -1.894851         0.098941
BFGS:    8 16:56:31       -1.900656         0.109968
BFGS:    9 16:56:31       -1.907183         0.105633
BFGS:   10 16:56:31       -1.914335         0.086109
BFGS:   11 16:56:31       -1.921102         0.047033
BFGS:   12 16:56:31       -1.923575         0.055604
BFGS:   13 16:56:31       -1.924006         0.049346
BFGS:   14 16:56:31       -1.924183         0.041005
BFGS:   15 16:56:31       -1.924293         0.035627
BFGS:   16 16:56:31       -1.924585         0.033898
BFGS:   17 16:56:31       -1.925104         0.030215
BFGS:   18 16:56:31       -1.925906         0.020806
BFGS:   19 16:56:31       -1.926704         0.012723
BFGS:   20 16:56:31       -1.926949         0.006018
BFGS:   21 16:56:31       -1.926972         0.001152
BFGS:   22 16:56:31       -1.926973         0.000051
BFGS:   23 16:56:31       -1.926973         0.000003
BFGS:   24 16:56:31       -1.926973         0.000000
BFGS:   25 16:56:31       -1.926973         0.000000
BFGS:   26 16:56:31       -1.926973         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.5853200552740023e-09 eV/Angstrom
Maximum stress component: 1.1659687490168763e-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 4.53273912e-35 2.85909613e-35]
 [7.97775110e-35 3.01599047e-01 0.00000000e+00]
 [5.56682929e-35 6.98400953e-01 0.00000000e+00]]
cellpar =  Cell([[10.466741427354416, 1.5655481641140095e-34, -1.3856413528995051e-31], [8.835418656630233e-35, 10.46674142735442, -4.70050318212749e-17], [5.288050367129019e-32, -2.0448196050672364e-17, 4.678390248761224]])
forces =  [[-1.58532006e-09 -2.37122018e-44 -1.12628127e-34]
 [ 1.58532006e-09  2.37122021e-44  5.63140532e-35]
 [-1.33823564e-44 -1.58532006e-09  7.11950516e-27]
 [ 1.33823564e-44  1.58532006e-09 -7.11950516e-27]]
stress =  [-2.54820327e-12 -2.54820327e-12 -1.16596875e-11  1.16999985e-27
  1.96653894e-36 -2.92764884e-52]
energy per atom =  -0.4817433392760197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0