element(s):
['Br', '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:
['4.1915']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.1915, 0, 0], [0, 4.1915, 0], [0, 0, 4.1915]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -4.763468         2.037750
BFGS:    1 13:02:52       -4.907964         1.209599
BFGS:    2 13:02:52       -4.944902         0.823987
BFGS:    3 13:02:52       -4.961598         0.141788
BFGS:    4 13:02:52       -4.962189         0.013288
BFGS:    5 13:02:52       -4.962194         0.000248
BFGS:    6 13:02:52       -4.962194         0.000000
BFGS:    7 13:02:52       -4.962194         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.857846065986681e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.071648876704798, -3.08882410879555e-32, -7.54619817172168e-33], [-2.5407872672893367e-32, 4.071648876704798, -5.626256479063855e-19], [9.36082855582974e-34, -5.626256479063808e-19, 4.071648876704798]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.85784607e-13 3.85784607e-13 3.85784607e-13 2.61855207e-29
 0.00000000e+00 3.20668290e-61]
energy per atom =  -2.481097045410701
===============================================
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.