./iterations/neb0_image07_iter297.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 {} {0.48231597908 0.202281929805 0.502576848301} O1 1 1
14 {} {0.33974567318 0.21191358266 0.585584230184} Si1 2 1
14 {} {0.609273449241 0.294852775977 0.45643929645} Si2 3 1
8 {} {0.562115069162 0.450047811659 0.438853707707} O2 4 1
8 {} {0.32031186179 0.361266395593 0.646520275132} O3 5 1
14 {} {0.2891272974 0.523220626796 0.649927368534} Si3 6 1
14 {} {0.496678043231 0.598290169879 0.435361429885} Si4 7 1
1 {} {0.341601087207 0.116068137524 0.699870611165} H1 8 1
1 {} {0.231135773558 0.179734185055 0.488760017735} H2 9 1
1 {} {0.658799772892 0.248113516883 0.324341846771} H3 10 1
1 {} {0.713801785672 0.287450494884 0.562085843656} H4 11 1
1 {} {0.141842941933 0.542844376203 0.654630385769} H5 12 1
1 {} {0.352654720227 0.579840120378 0.771529031951} H6 13 1
1 {} {0.344615362807 0.893852284684 0.47456249209} H7 14 1
1 {} {0.470643101293 0.63674324497 0.294848461248} H8 15 1
1 {} {0.594833911199 0.69093334933 0.498817638095} H10 16 1
8 {} {0.352833587911 0.594833924218 0.515992269109} O 17 1
1 {} {0.307756320023 0.860231051735 0.53035600005} 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