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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 14:20:39      -23.348203        1.9876
BFGS:    1 14:20:39      -23.503397        1.6501
BFGS:    2 14:20:39      -23.700698        0.9588
BFGS:    3 14:20:39      -23.783960        0.1258
BFGS:    4 14:20:39      -23.785238        0.0127
BFGS:    5 14:20:39      -23.785252        0.0002
BFGS:    6 14:20:39      -23.785252        0.0000
BFGS:    7 14:20:39      -23.785252        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.6534136825998545e-12 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]
 [4.15574407e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.67895186e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.33947593e-34]
 [4.15574407e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.585850856452675, 2.0558382466758227e-36, 2.965161167197868e-32], [3.548434676743316e-32, 6.585850856452674, -1.3986696665699573e-17], [-2.990087824008613e-32, -1.3986696665699548e-17, 6.585850856452675]])
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 =  [ 4.65341368e-12  4.65341368e-12  4.65341368e-12 -1.64776712e-29
 -3.70028740e-37  2.21244500e-54]
energy per atom =  -2.973156457995248
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0