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 17:00:20       -5.294292         4.142326
BFGS:    1 17:00:20       -5.940409         4.458815
BFGS:    2 17:00:20       -6.626631         4.657113
BFGS:    3 17:00:20       -7.325708         4.629168
BFGS:    4 17:00:20       -7.991463         4.145784
BFGS:    5 17:00:20       -8.529381         2.856794
BFGS:    6 17:00:21       -8.783421         0.235722
BFGS:    7 17:00:21       -8.784389         0.095256
BFGS:    8 17:00:21       -8.784569         0.001898
BFGS:    9 17:00:21       -8.784570         0.000015
BFGS:   10 17:00:21       -8.784570         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.451484333903667e-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, -9.217101711241208e-33, -9.665261261614375e-33], [4.7360621367288624e-33, 4.468788413220154, -9.891629953310185e-17], [-5.5354297297825306e-33, -9.891629953310184e-17, 4.468788413220154]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.45148433e-11 -4.45148433e-11 -4.45148433e-11  2.81103996e-28
  3.21469405e-35 -9.13717914e-53]
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