iterations/neb0_image04_iter241.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 {} {0.464775639018 0.261704167136 0.491457881399} O1 1 1
14 {} {0.324408148941 0.228810858603 0.569043320689} Si1 2 1
14 {} {0.59624971387 0.348930041134 0.447413604229} Si2 3 1
8 {} {0.554377611301 0.506159517036 0.426569681486} O2 4 1
8 {} {0.285245060654 0.346434982233 0.67693223617} O3 5 1
14 {} {0.243232982226 0.503073041392 0.701312369079} Si3 6 1
14 {} {0.579702531267 0.666852820551 0.399742398318} Si4 7 1
1 {} {0.343508485635 0.104004070288 0.645809068679} H1 8 1
1 {} {0.218231151235 0.214138285082 0.466797785135} H2 9 1
1 {} {0.647871690713 0.291379666503 0.318375230501} H3 10 1
1 {} {0.701244869605 0.341325949583 0.555495034422} H4 11 1
1 {} {0.105293229214 0.511231570271 0.759044404329} H5 12 1
1 {} {0.344347889233 0.560005859677 0.795043396034} H6 13 1
1 {} {0.453346985064 0.73810131285 0.434917339487} H7 14 1
1 {} {0.616236545271 0.690244102954 0.257126534126} H8 15 1
1 {} {0.693150305986 0.716864514829 0.484187636316} H10 16 1
8 {} {0.243621447298 0.579606611693 0.554406288675} O 17 1
1 {} {0.195241676165 0.663650454964 0.547384021917} 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