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Added N-N(S) as a forbidden species
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alongd committed Apr 30, 2019
1 parent d243b53 commit b1102b3
Showing 1 changed file with 14 additions and 0 deletions.
14 changes: 14 additions & 0 deletions input/forbiddenStructures.py
Original file line number Diff line number Diff line change
Expand Up @@ -190,6 +190,20 @@
""",
)

entry(
label = "N-N(S)",
species =
"""
1 N u0 p2 c0 {2,S}
2 N u0 p2 c0 {1,S}
""",
shortDesc = u"""""",
longDesc =
u"""
This structure is not a stationary point, and should quickly become N#N
""",
)

entry(
label = "[N][N]",
species =
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