element(s):
['Cl', 'Na']
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:
['3.49']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.49, 0, 0], [0, 3.49, 0], [0, 0, 3.49]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -5.916339         0.765742
BFGS:    1 13:02:52       -5.937839         0.547924
BFGS:    2 13:02:52       -5.958974         0.053312
BFGS:    3 13:02:52       -5.959152         0.004370
BFGS:    4 13:02:52       -5.959154         0.000032
BFGS:    5 13:02:52       -5.959154         0.000000
BFGS:    6 13:02:52       -5.959154         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.451574933819543e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Na']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4268257901610606, -5.683702920513989e-33, 4.8965274141105774e-33], [4.045257925492116e-33, 3.4268257901610606, -1.6151438730772005e-19], [-9.113350677611702e-33, -1.6151438730771954e-19, 3.4268257901610606]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.45157493e-15  4.45157493e-15  4.45157493e-15  9.94423249e-31
 -8.74692011e-34 -7.91919756e-50]
energy per atom =  -2.979576849653643
===============================================
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.