./iterations/neb0_image07_iter102.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470043764117 0.22267911872 0.491394761309} O1 1 1
14 {} {0.330692769587 0.222052159344 0.578284966267} Si1 2 1
14 {} {0.600044846986 0.312523522415 0.445834731173} Si2 3 1
8 {} {0.560335680976 0.465004447469 0.40465660832} O2 4 1
8 {} {0.32544303298 0.352596689785 0.678727042616} O3 5 1
14 {} {0.298335986847 0.514613267981 0.676158342109} Si3 6 1
14 {} {0.503850371499 0.611006909586 0.452099347481} Si4 7 1
1 {} {0.327253570997 0.100482658853 0.662200192601} H1 8 1
1 {} {0.216060341233 0.229569923083 0.484471570511} H2 9 1
1 {} {0.658612670691 0.253219148988 0.323094480533} H3 10 1
1 {} {0.695856818089 0.319384200341 0.560041418714} H4 11 1
1 {} {0.151836304206 0.541876424805 0.666414558714} H5 12 1
1 {} {0.355633881006 0.570572902034 0.801849604373} H6 13 1
1 {} {0.350434641804 0.824920385586 0.429402171845} H7 14 1
1 {} {0.483482124977 0.681219032286 0.323150953521} H8 15 1
1 {} {0.603033139528 0.685014660915 0.533443749426} H10 16 1
8 {} {0.37036053755 0.582983658636 0.545392891128} O 17 1
1 {} {0.308775648771 0.782798837618 0.474440553346} 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