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_001
==== 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 13:02:52      -21.479365         1.408876
BFGS:    1 13:02:52      -21.559177         1.232957
BFGS:    2 13:02:53      -21.708552         0.746503
BFGS:    3 13:02:53      -21.779219         0.181828
BFGS:    4 13:02:53      -21.783222         0.011037
BFGS:    5 13:02:53      -21.783242         0.003637
BFGS:    6 13:02:53      -21.783244         0.000433
BFGS:    7 13:02:53      -21.783244         0.000026
BFGS:    8 13:02:53      -21.783244         0.000000
BFGS:    9 13:02:53      -21.783244         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.53149733285641e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.09242427e-34 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]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.051948553431068, 1.868649578481284e-32, -7.807100801322418e-34], [2.593953947455506e-32, 7.051948553431068, 8.873894466487801e-18], [2.642602446658482e-33, 8.8738944664878e-18, 7.051948553431068]])
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 =  [1.53149733e-12 1.53149733e-12 1.53149733e-12 1.15766233e-29
 1.29092485e-36 2.42522925e-53]
energy per atom =  -2.7229055375562674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Rock Salt" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.