element(s):
['I', 'Rb']
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:
['4.4866']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.4866, 0, 0], [0, 4.4866, 0], [0, 0, 4.4866]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:04:14       -4.138263         1.996628
BFGS:    1 14:04:15       -4.285129         1.384492
BFGS:    2 14:04:15       -4.358590         0.651796
BFGS:    3 14:04:15       -4.369522         0.166272
BFGS:    4 14:04:15       -4.370409         0.014404
BFGS:    5 14:04:15       -4.370416         0.000365
BFGS:    6 14:04:15       -4.370416         0.000001
BFGS:    7 14:04:15       -4.370416         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.76499538745172e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.338379381321436, 6.117084808960504e-33, 5.412063581216429e-34], [7.640447919243897e-33, 4.338379381321436, 1.6042036556574589e-19], [-7.238702539093371e-34, 1.6042036556575157e-19, 4.338379381321436]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.76499539e-13  9.76499539e-13  9.76499539e-13  3.46568820e-30
  4.36590364e-34 -2.72899669e-52]
energy per atom =  -2.1852078982618965
===============================================
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.