./iterations/neb0_image04_iter202.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465254153489 0.254714301257 0.488742258941} O1 1 1
14 {} {0.325259132755 0.229033395701 0.570992690477} Si1 2 1
14 {} {0.59232141022 0.348595513208 0.444584758402} Si2 3 1
8 {} {0.545857331799 0.502700774552 0.418253196886} O2 4 1
8 {} {0.291966810566 0.348835736611 0.677334549744} O3 5 1
14 {} {0.251528918196 0.506012975654 0.704233336089} Si3 6 1
14 {} {0.567175003845 0.664332847185 0.399365387645} Si4 7 1
1 {} {0.341012091504 0.102893776634 0.648929205148} H1 8 1
1 {} {0.216281563968 0.217986879493 0.470770232735} H2 9 1
1 {} {0.647006789507 0.291475931969 0.317976020442} H3 10 1
1 {} {0.695007020556 0.345313562536 0.55342605263} H4 11 1
1 {} {0.108437951173 0.517207195875 0.744953326545} H5 12 1
1 {} {0.34273693849 0.556874711928 0.809894244679} H6 13 1
1 {} {0.438198679373 0.732796597373 0.422625801988} H7 14 1
1 {} {0.611778319242 0.690662027246 0.259810333479} H8 15 1
1 {} {0.670188915903 0.713102238718 0.495207972468} H10 16 1
8 {} {0.277065567577 0.586128510519 0.562026006537} O 17 1
1 {} {0.223009420488 0.663850891272 0.541932755157} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
	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