element(s):
['Br', 'K']
AFLOW prototype label:
AB_cF8_225_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:
['6.6991']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.6991, 0, 0], [0, 6.6991, 0], [0, 0, 6.6991]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:15:23      -39.153368         5.386727
BFGS:    1 19:15:23      -39.952412         5.261258
BFGS:    2 19:15:23      -40.729849         5.097832
BFGS:    3 19:15:23      -41.479607         4.891307
BFGS:    4 19:15:23      -42.194798         4.635908
BFGS:    5 19:15:23      -42.867614         4.325156
BFGS:    6 19:15:23      -43.489761         3.958634
BFGS:    7 19:15:23      -44.051207         3.514782
BFGS:    8 19:15:23      -44.542121         3.017207
BFGS:    9 19:15:23      -44.949939         2.404417
BFGS:   10 19:15:23      -45.258363         1.689900
BFGS:   11 19:15:23      -45.451177         0.860674
BFGS:   12 19:15:24      -45.510103         0.097850
BFGS:   13 19:15:24      -45.510801         0.006386
BFGS:   14 19:15:24      -45.510804         0.000043
BFGS:   15 19:15:24      -45.510804         0.000000
BFGS:   16 19:15:24      -45.510804         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.783996585286095e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.51736245e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.200678063131992, 3.0455765505992727e-33, 1.3890740358587935e-32], [-6.27705213974984e-34, 6.200678063131993, 8.500170550598287e-18], [1.7740581481882052e-33, 8.500170550598292e-18, 6.200678063131993]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.78399659e-15  1.78399659e-15  1.78399659e-15  3.00036393e-31
 -2.00365115e-34 -1.93607080e-50]
energy per atom =  -5.688850529558581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0