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 15:16:21      -10.669885         4.247432
BFGS:    1 15:16:21      -11.321297         4.435947
BFGS:    2 15:16:21      -11.999891         4.621145
BFGS:    3 15:16:21      -12.704500         4.768433
BFGS:    4 15:16:21      -13.428535         4.877867
BFGS:    5 15:16:21      -14.165189         4.933723
BFGS:    6 15:16:21      -14.905800         4.930059
BFGS:    7 15:16:22      -15.637983         4.813136
BFGS:    8 15:16:22      -16.343052         4.562128
BFGS:    9 15:16:22      -16.998247         4.148092
BFGS:   10 15:16:22      -17.574176         3.486435
BFGS:   11 15:16:22      -18.028867         2.517865
BFGS:   12 15:16:22      -18.312546         1.195915
BFGS:   13 15:16:22      -18.366267         0.483918
BFGS:   14 15:16:22      -18.374609         0.049897
BFGS:   15 15:16:22      -18.374704         0.001812
BFGS:   16 15:16:22      -18.374704         0.000007
BFGS:   17 15:16:22      -18.374704         0.000000
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