iterations/neb0_image06_iter63.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.468804140758 0.219561408384 0.483763853277} O1 1 1
14 {} {0.331147186739 0.227169702723 0.574146784071} Si1 2 1
14 {} {0.594193085112 0.319471929719 0.443234139052} Si2 3 1
8 {} {0.539254505896 0.467964903238 0.406369082896} O2 4 1
8 {} {0.330316075986 0.358150786785 0.674456159406} O3 5 1
14 {} {0.295210915735 0.518106436149 0.682544820917} Si3 6 1
14 {} {0.498029338295 0.620165944802 0.451302308483} Si4 7 1
1 {} {0.32904211842 0.108425595375 0.663433620135} H1 8 1
1 {} {0.214023293379 0.232352347877 0.480454887255} H2 9 1
1 {} {0.65739254983 0.264596306308 0.320452161922} H3 10 1
1 {} {0.690758558546 0.335309513186 0.556381179017} H4 11 1
1 {} {0.14753992124 0.538918961881 0.677494885199} H5 12 1
1 {} {0.348927312204 0.571092919014 0.810542775651} H6 13 1
1 {} {0.368928923252 0.783697987604 0.425422837956} H7 14 1
1 {} {0.50351655158 0.6824846311 0.315273778282} H8 15 1
1 {} {0.599520198128 0.690823702217 0.535412079627} H10 16 1
8 {} {0.365301544921 0.59105311595 0.554295140289} O 17 1
1 {} {0.328179893735 0.743171758571 0.476077489939} 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