element(s):
['K']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2674']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.2674, 0, 0], [0, 5.2674, 0], [0, 0, 5.2674]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:58:38       -5.294292        4.1423
BFGS:    1 17:58:38       -5.940409        4.4588
BFGS:    2 17:58:38       -6.626631        4.6571
BFGS:    3 17:58:38       -7.325708        4.6292
BFGS:    4 17:58:38       -7.991463        4.1458
BFGS:    5 17:58:38       -8.529381        2.8568
BFGS:    6 17:58:38       -8.783421        0.2357
BFGS:    7 17:58:38       -8.784389        0.0953
BFGS:    8 17:58:38       -8.784569        0.0019
BFGS:    9 17:58:38       -8.784570        0.0000
BFGS:   10 17:58:38       -8.784570        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.451484313169353e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.468788413220154, -9.477846968527166e-33, 9.245193436708077e-34], [-8.963652325579945e-34, 4.468788413220154, -3.0737738018329675e-17], [-1.8220888276494253e-33, -3.073773801832966e-17, 4.468788413220154]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.45148431e-11 -4.45148431e-11 -4.45148431e-11 -1.63453927e-27
  1.28587762e-34  9.20463329e-52]
energy per atom =  -4.392284780100502
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0