iterations/neb0_image07_iter62.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.47065446404 0.218713254551 0.483729269918} O1 1 1
14 {} {0.33238115524 0.225060130233 0.57344130972} Si1 2 1
14 {} {0.59915326145 0.313196979343 0.443027114828} Si2 3 1
8 {} {0.549918871674 0.463774822458 0.40312436016} O2 4 1
8 {} {0.33189972386 0.35539478744 0.67435320535} O3 5 1
14 {} {0.298085407018 0.51614191911 0.680230596232} Si3 6 1
14 {} {0.50105423131 0.610246139055 0.455835505064} Si4 7 1
1 {} {0.327295645835 0.103807519796 0.659461787321} H1 8 1
1 {} {0.215666655722 0.233772700199 0.479833178833} H2 9 1
1 {} {0.662644801214 0.253924087797 0.32318481691} H3 10 1
1 {} {0.692562062895 0.32775240273 0.558055900963} H4 11 1
1 {} {0.151503634629 0.537801571963 0.673164771067} H5 12 1
1 {} {0.354330536245 0.571252467606 0.805805000611} H6 13 1
1 {} {0.347825920833 0.813659385953 0.419340392796} H7 14 1
1 {} {0.482728166202 0.68430429758 0.328834259125} H8 15 1
1 {} {0.601918674073 0.679516653996 0.540371278742} H10 16 1
8 {} {0.367720350738 0.588128244755 0.550459367153} O 17 1
1 {} {0.322742582495 0.776070600047 0.478805847575} H14 18 1
@end
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	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
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@end
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	Atom2	reference	AsymmetricAtom
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	Order	int	0
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@data
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14 6 0 0
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7 1 0 0
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10 2 0 0
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@data
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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
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	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end