element(s):
['Br', 'Cs']
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:
['4.3829']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.3829, 0, 0], [0, 4.3829, 0], [0, 0, 4.3829]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -5.514258         3.116734
BFGS:    1 13:02:52       -5.881846         2.291855
BFGS:    2 13:02:52       -6.105284         0.491414
BFGS:    3 13:02:52       -6.110840         0.240469
BFGS:    4 13:02:52       -6.112350         0.013646
BFGS:    5 13:02:52       -6.112355         0.000350
BFGS:    6 13:02:52       -6.112355         0.000001
BFGS:    7 13:02:52       -6.112355         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.440836763575505e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.155131562290212, -5.135025270399823e-33, -6.39665668608298e-33], [2.714585546778953e-33, 4.155131562290212, -4.695788413063484e-18], [1.47767067390733e-33, -4.695788413063491e-18, 4.155131562290212]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.44083676e-13  5.44083676e-13  5.44083676e-13  1.17166148e-28
 -2.97467593e-35 -3.49583186e-51]
energy per atom =  -3.056177319632809
===============================================
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.