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_1959LowCutoff_K__MO_749732139672_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 15:03:20       -1.520079         0.438146
BFGS:    1 15:03:20       -1.526609         0.429050
BFGS:    2 15:03:20       -1.573156         0.368958
BFGS:    3 15:03:20       -1.609766         0.304996
BFGS:    4 15:03:20       -1.637583         0.251163
BFGS:    5 15:03:20       -1.658050         0.202613
BFGS:    6 15:03:21       -1.671441         0.153286
BFGS:    7 15:03:21       -1.678805         0.108288
BFGS:    8 15:03:21       -1.682496         0.125471
BFGS:    9 15:03:21       -1.685664         0.150846
BFGS:   10 15:03:21       -1.688786         0.151722
BFGS:   11 15:03:21       -1.700720         0.135262
BFGS:   12 15:03:21       -1.713969         0.100380
BFGS:   13 15:03:21       -1.726013         0.044893
BFGS:   14 15:03:21       -1.728459         0.055447
BFGS:   15 15:03:21       -1.728638         0.052080
BFGS:   16 15:03:22       -1.728849         0.044324
BFGS:   17 15:03:22       -1.729015         0.037466
BFGS:   18 15:03:22       -1.729392         0.033911
BFGS:   19 15:03:22       -1.730231         0.028344
BFGS:   20 15:03:22       -1.731213         0.017406
BFGS:   21 15:03:22       -1.731883         0.010562
BFGS:   22 15:03:22       -1.731994         0.003558
BFGS:   23 15:03:22       -1.732003         0.000279
BFGS:   24 15:03:22       -1.732004         0.000018
BFGS:   25 15:03:22       -1.732004         0.000001
BFGS:   26 15:03:22       -1.732004         0.000000
BFGS:   27 15:03:23       -1.732004         0.000000
BFGS:   28 15:03:23       -1.732004         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.106522659338667e-09 eV/Angstrom
Maximum stress component: 2.344162323845684e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[3.00822985e-01 3.09264274e-35 1.11519149e-34]
 [6.99177015e-01 0.00000000e+00 4.74192272e-35]
 [5.18426989e-35 3.00822985e-01 1.93424212e-33]
 [0.00000000e+00 6.99177015e-01 2.57898949e-33]]
cellpar =  Cell([[10.755803382539794, 9.87941688648959e-35, -2.1087423401546666e-31], [-1.6276972285456506e-34, 10.755803382539792, -4.7615250724893644e-17], [1.5562253529897996e-32, -2.2328161817384905e-17, 4.779372579575355]])
forces =  [[ 3.10652266e-09  2.85340209e-44  1.15059149e-34]
 [-3.10652266e-09 -2.85340214e-44  6.09053144e-41]
 [-4.70116285e-44  3.10652266e-09 -1.37523764e-26]
 [ 8.28596952e-33 -3.10652266e-09  1.37523764e-26]]
stress =  [-2.34416232e-12 -2.34416232e-12 -2.07664379e-12  1.24413230e-27
  9.36627177e-37 -1.50193213e-52]
energy per atom =  -0.4330008942684586
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0