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 16:25:39      -39.153368         5.386727
BFGS:    1 16:25:39      -39.952412         5.261258
BFGS:    2 16:25:39      -40.729849         5.097832
BFGS:    3 16:25:40      -41.479607         4.891307
BFGS:    4 16:25:40      -42.194798         4.635908
BFGS:    5 16:25:40      -42.867614         4.325156
BFGS:    6 16:25:41      -43.489761         3.958634
BFGS:    7 16:25:41      -44.051207         3.514782
BFGS:    8 16:25:41      -44.542121         3.017207
BFGS:    9 16:25:42      -44.949939         2.404417
BFGS:   10 16:25:42      -45.258363         1.689900
BFGS:   11 16:25:42      -45.451177         0.860674
BFGS:   12 16:25:42      -45.510103         0.097850
BFGS:   13 16:25:43      -45.510801         0.006386
BFGS:   14 16:25:43      -45.510804         0.000043
BFGS:   15 16:25:43      -45.510804         0.000000
BFGS:   16 16:25:44      -45.510804         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0760083524359073e-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]
 [4.41388996e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.24239957e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.48479915e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [8.82777991e-49 5.00000000e-01 1.24239957e-34]
 [2.75868122e-50 1.24239957e-34 5.00000000e-01]]
cellpar =  Cell([[6.200678063131993, -2.7640414162773223e-32, 8.607001958044144e-33], [-4.416572580375485e-32, 6.200678063131993, -9.993070930949446e-18], [-1.2478341958218501e-33, -9.993070930949433e-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 =  [ 2.07600835e-15  2.07600835e-15  2.07600835e-15 -4.38276212e-32
 -7.93375415e-64 -2.12842630e-63]
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