element(s):
['Cs', 'I']
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:
['4.6648']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'I']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.6648, 0, 0], [0, 4.6648, 0], [0, 0, 4.6648]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:02:52       -4.835547         2.793483
BFGS:    1 13:02:52       -5.139398         2.218004
BFGS:    2 13:02:52       -5.376541         0.777317
BFGS:    3 13:02:52       -5.390835         0.493015
BFGS:    4 13:02:52       -5.397594         0.047594
BFGS:    5 13:02:52       -5.397663         0.003254
BFGS:    6 13:02:52       -5.397663         0.000231
BFGS:    7 13:02:52       -5.397663         0.000000
BFGS:    8 13:02:53       -5.397663         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.279542483631234e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.4142795405017505, 6.94109960591851e-34, 2.233077705905681e-32], [-9.834660501207667e-33, 4.4142795405017505, -1.452106914731106e-17], [-1.8636345653165365e-32, -1.4521069147311047e-17, 4.4142795405017505]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.27954248e-13  7.27954248e-13  7.27954248e-13 -6.39153953e-29
  2.10852882e-34 -1.57819997e-50]
energy per atom =  -2.698831634893725
===============================================
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.