element(s):
['F', 'K']
AFLOW prototype label:
AB_cP2_221_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:
['3.2675']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2675, 0, 0], [0, 3.2675, 0], [0, 0, 3.2675]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -6.771713         0.900249
BFGS:    1 13:02:52       -6.800628         0.593895
BFGS:    2 13:02:52       -6.820343         0.087595
BFGS:    3 13:02:52       -6.820729         0.006777
BFGS:    4 13:02:52       -6.820732         0.000071
BFGS:    5 13:02:52       -6.820732         0.000000
BFGS:    6 13:02:52       -6.820732         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0235233006498736e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2106123435489415, 1.1570622159927595e-32, -7.80181441370966e-34], [-3.17243818761609e-33, 3.2106123435489415, 5.704261940333756e-19], [-4.963499052563184e-34, 5.704261940333727e-19, 3.2106123435489415]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.02352330e-14  3.02352330e-14  3.02352330e-14  6.77858655e-31
  7.97174611e-34 -2.22993611e-51]
energy per atom =  -3.4103659258876835
===============================================
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 "CsCl" 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.