./iterations/neb0_image09_iter96.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472168092006 0.213679656281 0.494761648365} O1 1 1
14 {} {0.335459005341 0.216327461333 0.58624219295} Si1 2 1
14 {} {0.603116759103 0.2993730881 0.444948840122} Si2 3 1
8 {} {0.561116878264 0.452248502614 0.400800592303} O2 4 1
8 {} {0.328028715041 0.353857080782 0.676167255188} O3 5 1
14 {} {0.296448087854 0.51535656882 0.670226494404} Si3 6 1
14 {} {0.506870156233 0.599140980251 0.450848330357} Si4 7 1
1 {} {0.339572614624 0.101759933299 0.680492675108} H1 8 1
1 {} {0.218188851229 0.209755434106 0.494538072986} H2 9 1
1 {} {0.659103551999 0.232419415726 0.32505962604} H3 10 1
1 {} {0.701990793574 0.305944070793 0.556434546309} H4 11 1
1 {} {0.150193774901 0.53804859675 0.656538524072} H5 12 1
1 {} {0.351346372033 0.575462610977 0.794561433947} H6 13 1
1 {} {0.323261104817 0.880163264647 0.414074910788} H7 14 1
1 {} {0.47656041188 0.678874350175 0.329546562828} H8 15 1
1 {} {0.611755313163 0.663688759488 0.535009028854} H10 16 1
8 {} {0.368972121 0.584292688566 0.53884516154} O 17 1
1 {} {0.305933569793 0.852125498844 0.481962065482} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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