./iterations/neb0_image01_iter270.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.461928528069 0.260160794775 0.480270754122} O1 1 1
14 {} {0.327120593016 0.248299598808 0.573122417877} Si1 2 1
14 {} {0.594623068089 0.339420687341 0.42635479715} Si2 3 1
8 {} {0.553150005267 0.478700997638 0.349760949976} O2 4 1
8 {} {0.321878942751 0.368090168896 0.686015782345} O3 5 1
14 {} {0.253768901814 0.5108755632 0.731887089805} Si3 6 1
14 {} {0.540925381899 0.642626243389 0.358563201252} Si4 7 1
1 {} {0.333274001641 0.117887229239 0.644248741633} H1 8 1
1 {} {0.207583078963 0.25702264718 0.484298522734} H2 9 1
1 {} {0.661488640384 0.251785773129 0.326873520065} H3 10 1
1 {} {0.682753275045 0.372345053043 0.542383345618} H4 11 1
1 {} {0.106628317037 0.493459898008 0.745008199334} H5 12 1
1 {} {0.320004992321 0.548931526677 0.860148178019} H6 13 1
1 {} {0.408871621753 0.682986871558 0.303391327427} H7 14 1
1 {} {0.651941947277 0.705202355997 0.281244671127} H8 15 1
1 {} {0.551360084186 0.688373028601 0.501288474658} H10 16 1
8 {} {0.273654054953 0.630197451025 0.618893957389} O 17 1
1 {} {0.359130475831 0.676151764127 0.617303966201} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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