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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:56:49       -8.037508         2.655252
BFGS:    1 17:56:49       -8.164148         2.542839
BFGS:    2 17:56:49       -8.315840         2.332693
BFGS:    3 17:56:49       -8.447563         2.011551
BFGS:    4 17:56:49       -8.554184         1.561743
BFGS:    5 17:56:49       -8.629206         0.949629
BFGS:    6 17:56:49       -8.664020         0.150344
BFGS:    7 17:56:49       -8.665877         0.094421
BFGS:    8 17:56:49       -8.666631         0.081594
BFGS:    9 17:56:49       -8.667687         0.023303
BFGS:   10 17:56:49       -8.667728         0.005828
BFGS:   11 17:56:49       -8.667730         0.003952
BFGS:   12 17:56:49       -8.667732         0.000930
BFGS:   13 17:56:49       -8.667732         0.000289
BFGS:   14 17:56:49       -8.667732         0.000012
BFGS:   15 17:56:49       -8.667732         0.000000
BFGS:   16 17:56:49       -8.667732         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.8053133739055746e-09 eV/Angstrom
Maximum stress component: 3.1350561328182785e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[2.92700588e-01 0.00000000e+00 0.00000000e+00]
 [7.07299412e-01 1.08724636e-35 9.16886742e-36]
 [1.70595053e-35 2.92700588e-01 9.83256940e-35]
 [2.93476887e-35 7.07299412e-01 0.00000000e+00]]
cellpar =  Cell([[9.435157113852584, 3.5906977302577655e-36, -1.071666339723842e-31], [3.037594668190039e-35, 9.435157113852586, -8.553085510490902e-18], [-3.1233057878162545e-32, -3.528068503038669e-18, 3.9174499897007924]])
forces =  [[ 1.80531337e-09  6.87040667e-46 -2.35772966e-34]
 [-1.80531337e-09 -6.87040455e-46  2.05051548e-41]
 [-7.26858065e-33  1.80531337e-09 -1.63653907e-27]
 [ 7.26858065e-33 -1.80531337e-09  1.63653907e-27]]
stress =  [-2.98213699e-11 -2.98213699e-11 -3.13505613e-11  1.12078769e-26
  1.95397549e-36  1.26864132e-52]
energy per atom =  -2.1669329088717997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0