./iterations/neb0_image04_iter29.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 {} {0.469448005029 0.227829058145 0.483513981153} O1 1 1
14 {} {0.333047079662 0.236359563319 0.572183631055} Si1 2 1
14 {} {0.593154361381 0.328757127521 0.436246458438} Si2 3 1
8 {} {0.533422330971 0.479135338471 0.39443683944} O2 4 1
8 {} {0.332487152943 0.377518554424 0.658845990627} O3 5 1
14 {} {0.27765018636 0.523656441921 0.69997759581} Si3 6 1
14 {} {0.509730340988 0.647459183538 0.404326820589} Si4 7 1
1 {} {0.330210654004 0.116818769137 0.662061370659} H1 8 1
1 {} {0.215982368757 0.23376846728 0.480965270357} H2 9 1
1 {} {0.663092378478 0.246650028332 0.328564365151} H3 10 1
1 {} {0.691632351046 0.331309917453 0.551350346991} H4 11 1
1 {} {0.132321061295 0.519109011846 0.705467535445} H5 12 1
1 {} {0.340074084111 0.55895724403 0.826241353832} H6 13 1
1 {} {0.389485826539 0.735892236109 0.399600284768} H7 14 1
1 {} {0.567672329086 0.688820977734 0.272174603802} H8 15 1
1 {} {0.584375438174 0.679970102913 0.526532841481} H10 16 1
8 {} {0.330969145737 0.622049041515 0.578889452162} O 17 1
1 {} {0.315331037311 0.718456899293 0.549679268108} 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