element(s):
['Rb']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6544']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.6544, 0, 0], [0, 5.6544, 0], [0, 0, 5.6544]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:04:22       -1.645627         0.483842
BFGS:    1 13:04:22       -1.655179         0.437041
BFGS:    2 13:04:22       -1.691267         0.020103
BFGS:    3 13:04:22       -1.691326         0.003794
BFGS:    4 13:04:22       -1.691328         0.000025
BFGS:    5 13:04:22       -1.691328         0.000000
BFGS:    6 13:04:22       -1.691328         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9392507240341156e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.487757384234925, -6.396311449249805e-33, 1.334465006992334e-33], [-6.608578561079715e-33, 5.487757384234925, 2.096912779920213e-17], [3.032119694890465e-33, 2.0969127799202226e-17, 5.487757384234925]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.93925072e-15 -2.93925072e-15 -2.93925072e-15 -1.17082446e-31
  3.41074623e-35  8.02891033e-52]
energy per atom =  -0.8456642074715411
===============================================
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 "Body-Centered Cubic" 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.