element(s):
['F', '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:
['3.4513']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.4513, 0, 0], [0, 3.4513, 0], [0, 0, 3.4513]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -5.303885         1.281591
BFGS:    1 13:02:52       -5.361399         0.795044
BFGS:    2 13:02:52       -5.388158         0.257636
BFGS:    3 13:02:52       -5.390578         0.033428
BFGS:    4 13:02:52       -5.390621         0.001182
BFGS:    5 13:02:52       -5.390621         0.000006
BFGS:    6 13:02:52       -5.390621         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.944727597120503e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3792108708136217, -1.0567449468850932e-32, 4.390181536315581e-34], [-1.5186752312460373e-32, 3.3792108708136217, 1.1525412021172554e-17], [9.183706604250983e-34, 1.1525412021172553e-17, 3.3792108708136217]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.94472760e-11 4.94472760e-11 4.94472760e-11 6.41980154e-28
 2.11386130e-33 6.12688523e-50]
energy per atom =  -2.6953106435054757
===============================================
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.