element(s):
['I', '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:
['7.1729']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.1729, 0, 0], [0, 7.1729, 0], [0, 0, 7.1729]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:33:46      -21.479365        1.4089
BFGS:    1 14:33:47      -21.559177        1.2330
BFGS:    2 14:33:47      -21.708552        0.7465
BFGS:    3 14:33:47      -21.779219        0.1818
BFGS:    4 14:33:47      -21.783222        0.0110
BFGS:    5 14:33:47      -21.783242        0.0036
BFGS:    6 14:33:47      -21.783244        0.0004
BFGS:    7 14:33:47      -21.783244        0.0000
BFGS:    8 14:33:47      -21.783244        0.0000
BFGS:    9 14:33:47      -21.783244        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5323275698133225e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.94053533e-49 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 0.00000000e+00 0.00000000e+00]
 [3.88107066e-49 5.00000000e-01 0.00000000e+00]
 [4.85133833e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.051948553431072, 1.9052909069116033e-32, -7.92286304207598e-35], [1.8693107021449824e-32, 7.051948553431072, 8.886627926777652e-18], [3.426671759189176e-33, 8.886627926777646e-18, 7.051948553431072]])
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 =  [ 1.53232757e-12  1.53232757e-12  1.53232757e-12 -5.26273168e-29
 -1.03273988e-35  8.32730801e-53]
energy per atom =  -2.722905537556267
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0