./iterations/neb0_image08_iter296.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474052539783 0.211492615114 0.494241246144} O1 1 1
14 {} {0.334744382439 0.214099431001 0.580418786065} Si1 2 1
14 {} {0.610915451822 0.293901213984 0.453049832391} Si2 3 1
8 {} {0.5782738648 0.452467650911 0.431313315178} O2 4 1
8 {} {0.319885445343 0.356010421956 0.661886521435} O3 5 1
14 {} {0.29576752332 0.518053965969 0.656612725388} Si3 6 1
14 {} {0.503579599931 0.598080504197 0.4422356393} Si4 7 1
1 {} {0.336741639582 0.104816327587 0.68142476725} H1 8 1
1 {} {0.222469764426 0.198751969383 0.483762751223} H2 9 1
1 {} {0.662858726739 0.238949248583 0.324426190215} H3 10 1
1 {} {0.709546009551 0.279235924757 0.564309905051} H4 11 1
1 {} {0.15007800755 0.546432590693 0.659511260543} H5 12 1
1 {} {0.366823620748 0.578055181756 0.772814726612} H6 13 1
1 {} {0.319913079193 0.909778745036 0.467565177249} H7 14 1
1 {} {0.478436525888 0.649285593065 0.305249794329} H8 15 1
1 {} {0.590526508484 0.688868418893 0.522275369977} H10 16 1
8 {} {0.35771234296 0.580131065818 0.516786561571} O 17 1
1 {} {0.297761106009 0.854106914738 0.513173229889} 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