element(s):
['K']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6342']
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 =  225
cell =  [[6.6342, 0, 0], [0, 6.6342, 0], [0, 0, 6.6342]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:01:04      -10.669885        4.2474
BFGS:    1 17:01:04      -11.321297        4.4359
BFGS:    2 17:01:04      -11.999891        4.6211
BFGS:    3 17:01:04      -12.704500        4.7684
BFGS:    4 17:01:04      -13.428535        4.8779
BFGS:    5 17:01:04      -14.165189        4.9337
BFGS:    6 17:01:04      -14.905800        4.9301
BFGS:    7 17:01:04      -15.637983        4.8131
BFGS:    8 17:01:04      -16.343052        4.5621
BFGS:    9 17:01:04      -16.998247        4.1481
BFGS:   10 17:01:04      -17.574176        3.4864
BFGS:   11 17:01:04      -18.028867        2.5179
BFGS:   12 17:01:04      -18.312546        1.1959
BFGS:   13 17:01:04      -18.366267        0.4839
BFGS:   14 17:01:04      -18.374609        0.0499
BFGS:   15 17:01:04      -18.374704        0.0018
BFGS:   16 17:01:04      -18.374704        0.0000
BFGS:   17 17:01:04      -18.374704        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9731064351458725e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.583564649602663, -1.5438591592554083e-32, 2.812752221286271e-34], [-1.6456882069875466e-32, 5.583564649602663, -1.799550924473438e-17], [-1.5148034199366023e-33, -1.799550924473438e-17, 5.583564649602663]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.97310644e-11  1.97310644e-11  1.97310644e-11 -1.55669306e-28
 -6.17756591e-36  2.20774923e-53]
energy per atom =  -4.593675989676141
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0