./iterations/neb0_image07_iter87.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 {} {0.470610230022 0.221007197426 0.489176329661} O1 1 1
14 {} {0.331400014022 0.223643380579 0.577269164388} Si1 2 1
14 {} {0.599695182959 0.312797037418 0.444685197144} Si2 3 1
8 {} {0.554615318132 0.463918375569 0.402896760695} O2 4 1
8 {} {0.327511547734 0.353481847741 0.679536370948} O3 5 1
14 {} {0.298771241889 0.515843173226 0.678075411672} Si3 6 1
14 {} {0.50402276479 0.611187523041 0.45351346529} Si4 7 1
1 {} {0.326666567783 0.10078150545 0.66102102581} H1 8 1
1 {} {0.216347296046 0.231498801555 0.482145994618} H2 9 1
1 {} {0.660451942279 0.25637059165 0.321779873861} H3 10 1
1 {} {0.693272251427 0.321748833252 0.56044705749} H4 11 1
1 {} {0.152176752439 0.54069991277 0.668603014371} H5 12 1
1 {} {0.354971781526 0.569341864319 0.804998062051} H6 13 1
1 {} {0.351813329641 0.81957890089 0.425976963843} H7 14 1
1 {} {0.482518033378 0.683011443976 0.32566870492} H8 15 1
1 {} {0.605788515739 0.682399051838 0.536537395511} H10 16 1
8 {} {0.36944093515 0.586966562111 0.54747548075} O 17 1
1 {} {0.31001242126 0.778241965017 0.471251670765} 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