iterations/neb0_image07_iter208.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 {} {0.473832691892 0.231607975781 0.495402239257} O1 1 1
14 {} {0.333779015917 0.217924176916 0.580705853885} Si1 2 1
14 {} {0.616165430028 0.301125943174 0.451901526566} Si2 3 1
8 {} {0.599053181973 0.462114105995 0.423086332639} O2 4 1
8 {} {0.306966040087 0.348612664011 0.677810114104} O3 5 1
14 {} {0.290503971377 0.510463222372 0.651910295696} Si3 6 1
14 {} {0.495518022088 0.589650965587 0.434435986691} Si4 7 1
1 {} {0.34504213755 0.0986947422699 0.66844374516} H1 8 1
1 {} {0.221749344086 0.206918218081 0.482436134247} H2 9 1
1 {} {0.6617174839 0.234058069234 0.326829594531} H3 10 1
1 {} {0.71460973436 0.286890583869 0.562835352906} H4 11 1
1 {} {0.147475920438 0.55019522324 0.650794167495} H5 12 1
1 {} {0.36832660466 0.580940245937 0.757577326702} H6 13 1
1 {} {0.343406472252 0.917482986247 0.503333319794} H7 14 1
1 {} {0.468236496474 0.637117307304 0.296138693862} H8 15 1
1 {} {0.557090820611 0.692693412725 0.523028157817} H10 16 1
8 {} {0.350920829719 0.546253557411 0.502522489871} O 17 1
1 {} {0.31569172721 0.859774415989 0.541866464765} 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