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A Enumeration Tables for Pairwise and Triple Overlaps
This appendix provides the explicit enumeration of the 30 pairwise and 8 triple rst-shell inter-
sections that determine
K
(O)
pairwise
= 10
and
K
(O)
triple
= 8
in Eq. (8). The setup follows Section 4.4
exactly: the octahedral void is centered at
(1, 0, 0)
, the 12 FCC nearest-neighbor displace-
ments are
{(±1, ±1, 0), (±1, 0, ±1), (0, ±1, ±1)}
, and the rst-shell neighborhood of an edge is
N(e) = N
1
(v
a
) ∪N
1
(v
b
)
with
|N(e)| = 20
.
Vertex labels.
We label the six bounding vertices of the octahedral void as in Table 4.
The 12 edges of
K
2,2,2
are then
{AC, AD, AE, AF, BC, BD, BE, BF, CE, CF, DE, DF }
(ev-
ery vertex-pair from distinct antipodal classes). The 3 antipodal non-bonds
AB
,
CD
,
EF
are
at distance
L
√
2
and do not contribute to
K
2,2,2
.
30