./iterations/neb0_image04_iter80.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 {} {0.46763037161 0.231529608087 0.48589792546} O1 1 1
14 {} {0.330278415874 0.2305861767 0.576706445492} Si1 2 1
14 {} {0.584401680853 0.337657780541 0.438100203688} Si2 3 1
8 {} {0.518099208495 0.482503856832 0.40432925451} O2 4 1
8 {} {0.323640780142 0.360587192855 0.67764877095} O3 5 1
14 {} {0.279296717759 0.515913464762 0.700545593419} Si3 6 1
14 {} {0.523866575285 0.648082963978 0.403000191729} Si4 7 1
1 {} {0.329132319069 0.10926588431 0.662713003246} H1 8 1
1 {} {0.213827282002 0.234209124394 0.48410699737} H2 9 1
1 {} {0.650049124455 0.280433213878 0.316782599478} H3 10 1
1 {} {0.681640763922 0.350428225024 0.550796962562} H4 11 1
1 {} {0.131732371346 0.529924365893 0.698106911803} H5 12 1
1 {} {0.338373318524 0.561361228419 0.828123547479} H6 13 1
1 {} {0.398233613862 0.730052429519 0.392556749889} H7 14 1
1 {} {0.589729738384 0.681979979901 0.274493978454} H8 15 1
1 {} {0.605564217121 0.695970727377 0.518767178532} H10 16 1
8 {} {0.342660642727 0.605766598861 0.57680427265} O 17 1
1 {} {0.301928983427 0.686265132892 0.541577397023} 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