./iterations/neb0_image02_iter49.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467784456141 0.236508688868 0.475205259558} O1 1 1
14 {} {0.329228972329 0.244930646917 0.562891323058} Si1 2 1
14 {} {0.595520268839 0.330606642726 0.432249334724} Si2 3 1
8 {} {0.544139627307 0.474858627874 0.374145130218} O2 4 1
8 {} {0.334281244355 0.376820379763 0.6601325097} O3 5 1
14 {} {0.267709285325 0.516824168476 0.715610417632} Si3 6 1
14 {} {0.529370874321 0.638781875482 0.380123237409} Si4 7 1
1 {} {0.322789712339 0.12302131266 0.647562123388} H1 8 1
1 {} {0.213455658958 0.25275910755 0.469530467868} H2 9 1
1 {} {0.667153662171 0.258761882338 0.323888368823} H3 10 1
1 {} {0.683860646922 0.353116127479 0.550608242058} H4 11 1
1 {} {0.121789889934 0.498670434898 0.737331158639} H5 12 1
1 {} {0.340860391391 0.552076910503 0.840168424736} H6 13 1
1 {} {0.386560856167 0.676793197333 0.358247393255} H7 14 1
1 {} {0.613147367617 0.699444700442 0.273220983833} H8 15 1
1 {} {0.573296339649 0.689895958104 0.51347729633} H10 16 1
8 {} {0.281890169162 0.636361577675 0.601458557695} O 17 1
1 {} {0.337246724874 0.712285715585 0.615207759227} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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