element(s):
['F', 'K']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2675']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2675, 0, 0], [0, 3.2675, 0], [0, 0, 3.2675]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:27:34       -0.663265        25.057884
BFGS:    1 12:27:34       -3.622943        15.084430
BFGS:    2 12:27:34       -5.355640         8.477751
BFGS:    3 12:27:34       -6.277712         4.133928
BFGS:    4 12:27:34       -6.661086         1.435568
BFGS:    5 12:27:34       -6.728995         0.393232
BFGS:    6 12:27:34       -6.735393         0.058340
BFGS:    7 12:27:34       -6.735546         0.002994
BFGS:    8 12:27:34       -6.735546         0.000025
BFGS:    9 12:27:34       -6.735546         0.000000
BFGS:   10 12:27:34       -6.735546         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.914014414888787e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.650131347015329, 1.3372889824804922e-33, 2.4585498551213855e-33], [-1.2364301789454513e-32, 3.650131347015329, 1.910988797851798e-17], [8.23213628345897e-33, 1.9109887978517986e-17, 3.650131347015329]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.91401441e-16 -7.91401441e-16 -7.91401441e-16 -8.45205442e-32
 -1.54188585e-34  1.57948118e-50]
energy per atom =  -3.3677732480049127
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0