./iterations/neb0_image07_iter22.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 {} {0.469787127089 0.224021250624 0.484716221293} O1 1 1
14 {} {0.332615199018 0.228117981028 0.57574158171} Si1 2 1
14 {} {0.601158490352 0.312751876094 0.439554356599} Si2 3 1
8 {} {0.551546990348 0.463935426249 0.39417895762} O2 4 1
8 {} {0.330778845839 0.363280895586 0.671485518646} O3 5 1
14 {} {0.292367965007 0.520841744287 0.679547601368} Si3 6 1
14 {} {0.498535968772 0.612292795973 0.443483758336} Si4 7 1
1 {} {0.332505296358 0.109340139673 0.666084777608} H1 8 1
1 {} {0.215472273005 0.229026410985 0.481850869212} H2 9 1
1 {} {0.665603523066 0.236792662247 0.326713523819} H3 10 1
1 {} {0.696684191923 0.324248640254 0.55523068278} H4 11 1
1 {} {0.139807563619 0.520207356845 0.694553196642} H5 12 1
1 {} {0.342209788219 0.558897950854 0.81754749157} H6 13 1
1 {} {0.339259666237 0.812699195482 0.41436172036} H7 14 1
1 {} {0.516845399149 0.681070679252 0.310455323266} H8 15 1
1 {} {0.595605520848 0.676893048452 0.533094659293} H10 16 1
8 {} {0.362339280903 0.598574026549 0.548381691075} O 17 1
1 {} {0.326963058692 0.799525880847 0.494076070228} 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