iterations/neb0_image04_iter267.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 {} {0.467715699116 0.262351564008 0.491557303724} O1 1 1
14 {} {0.326474099622 0.230059668996 0.567000464124} Si1 2 1
14 {} {0.599692158917 0.348146959268 0.448215851013} Si2 3 1
8 {} {0.56112080301 0.505174280682 0.429173437051} O2 4 1
8 {} {0.281539661707 0.349295825454 0.670937881056} O3 5 1
14 {} {0.237832551309 0.504242264886 0.699236664951} Si3 6 1
14 {} {0.584716846847 0.66518439378 0.401713873715} Si4 7 1
1 {} {0.343978791982 0.106682708814 0.648610307757} H1 8 1
1 {} {0.219904797208 0.214204805782 0.464557095287} H2 9 1
1 {} {0.648653490621 0.293027029931 0.319684669916} H3 10 1
1 {} {0.701226120986 0.336317818694 0.555657415348} H4 11 1
1 {} {0.106359009266 0.504582842566 0.770820036669} H5 12 1
1 {} {0.342761069536 0.56600679598 0.785254194986} H6 13 1
1 {} {0.462057710819 0.740900217533 0.441411909599} H7 14 1
1 {} {0.612017647993 0.687347554963 0.257144081482} H8 15 1
1 {} {0.700834156353 0.714950592919 0.481106103634} H10 16 1
8 {} {0.227733068762 0.578334518364 0.551861046114} O 17 1
1 {} {0.185468257322 0.665707941379 0.547115956179} 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