element(s):
['Cs', 'F']
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:
['3.6971']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'F']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.6971, 0, 0], [0, 3.6971, 0], [0, 0, 3.6971]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:14       -6.431257         2.105908
BFGS:    1 14:04:15       -6.570693         0.907783
BFGS:    2 14:04:15       -6.591879         0.341982
BFGS:    3 14:04:15       -6.594746         0.031813
BFGS:    4 14:04:15       -6.594772         0.000776
BFGS:    5 14:04:16       -6.594772         0.000002
BFGS:    6 14:04:16       -6.594772         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.967717680331059e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'F']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6098757425233092, -1.5888371367442383e-32, 5.2917347868335275e-33], [6.698100770099952e-33, 3.6098757425233092, 2.3804188105020567e-18], [-5.241129856632171e-33, 2.3804188105020586e-18, 3.6098757425233092]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.96771768e-12  7.96771768e-12  7.96771768e-12  2.12871197e-31
 -3.15293269e-34 -2.40370674e-52]
energy per atom =  -3.297386010971445
===============================================
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.