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 17:58:38       -1.520079         0.438146
BFGS:    1 17:58:38       -1.526609         0.429050
BFGS:    2 17:58:38       -1.573156         0.368958
BFGS:    3 17:58:38       -1.609766         0.304996
BFGS:    4 17:58:38       -1.637583         0.251163
BFGS:    5 17:58:38       -1.658050         0.202613
BFGS:    6 17:58:38       -1.671441         0.153286
BFGS:    7 17:58:38       -1.678805         0.108288
BFGS:    8 17:58:38       -1.682496         0.125471
BFGS:    9 17:58:38       -1.685664         0.150846
BFGS:   10 17:58:38       -1.688786         0.151722
BFGS:   11 17:58:38       -1.700720         0.135262
BFGS:   12 17:58:38       -1.713969         0.100380
BFGS:   13 17:58:38       -1.726013         0.044893
BFGS:   14 17:58:38       -1.728459         0.055447
BFGS:   15 17:58:38       -1.728638         0.052080
BFGS:   16 17:58:38       -1.728849         0.044324
BFGS:   17 17:58:38       -1.729015         0.037466
BFGS:   18 17:58:38       -1.729392         0.033911
BFGS:   19 17:58:38       -1.730231         0.028344
BFGS:   20 17:58:38       -1.731213         0.017406
BFGS:   21 17:58:38       -1.731883         0.010562
BFGS:   22 17:58:38       -1.731994         0.003558
BFGS:   23 17:58:38       -1.732003         0.000279
BFGS:   24 17:58:38       -1.732004         0.000018
BFGS:   25 17:58:38       -1.732004         0.000001
BFGS:   26 17:58:38       -1.732004         0.000000
BFGS:   27 17:58:38       -1.732004         0.000000
BFGS:   28 17:58:38       -1.732004         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.1065234402962698e-09 eV/Angstrom
Maximum stress component: 2.3441679461152474e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[3.00822985e-01 0.00000000e+00 0.00000000e+00]
 [6.99177015e-01 1.35990433e-35 9.02801704e-35]
 [0.00000000e+00 3.00822985e-01 0.00000000e+00]
 [0.00000000e+00 6.99177015e-01 5.15797898e-33]]
cellpar =  Cell([[10.755803382539785, 5.1660822972359386e-36, 4.30863653981396e-32], [-2.820362798929792e-36, 10.755803382539794, 1.0869700466289795e-16], [-5.025293040461679e-33, 4.874999635143239e-17, 4.779372579575356]])
forces =  [[ 3.10652344e-09  1.49208326e-45 -1.43823888e-35]
 [-3.10652344e-09  2.07149238e-33 -1.24443335e-41]
 [-8.14585655e-46  3.10652344e-09  3.13941954e-26]
 [-2.07149238e-33 -3.10652344e-09 -3.13941954e-26]]
stress =  [-2.34416795e-12 -2.34416795e-12 -2.07663862e-12  1.32148709e-28
 -4.68313587e-37 -2.88898994e-53]
energy per atom =  -0.43300089426845867
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0