./iterations/neb0_image02_iter300.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.453313245516 0.268118770106 0.480572551457} O1 1 1
14 {} {0.324993008261 0.242406811151 0.578980216519} Si1 2 1
14 {} {0.585880757862 0.347438142922 0.427719232616} Si2 3 1
8 {} {0.543373706756 0.4929523613 0.365345318581} O2 4 1
8 {} {0.311225042673 0.360084431959 0.692128145508} O3 5 1
14 {} {0.240746873876 0.502763057235 0.734152937972} Si3 6 1
14 {} {0.564542834463 0.656026917207 0.357902639471} Si4 7 1
1 {} {0.347146410771 0.114392890104 0.650074692797} H1 8 1
1 {} {0.203044131056 0.238275494771 0.494843197314} H2 9 1
1 {} {0.645965194076 0.266167131379 0.319319308166} H3 10 1
1 {} {0.680844953291 0.368873556926 0.540531219116} H4 11 1
1 {} {0.0957386221311 0.483323383097 0.756904013213} H5 12 1
1 {} {0.311120938971 0.550346023279 0.855881778747} H6 13 1
1 {} {0.435541036385 0.720138501125 0.319029588823} H7 14 1
1 {} {0.669805604349 0.690597819567 0.257453603424} H8 15 1
1 {} {0.605071344359 0.706927079026 0.493159053897} H10 16 1
8 {} {0.25153321354 0.613460232095 0.612216889213} O 17 1
1 {} {0.340199626268 0.650225719106 0.594843150206} H14 18 1
@end
@Columns Cell
	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
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end