./iterations/neb0_image01_iter284.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.461056738107 0.260166711284 0.480686048595} O1 1 1
14 {} {0.327021153012 0.246996083094 0.574484967721} Si1 2 1
14 {} {0.593252915632 0.339890650557 0.427112333353} Si2 3 1
8 {} {0.551111510224 0.47951903058 0.35154931619} O2 4 1
8 {} {0.32274189086 0.366597387328 0.687932494804} O3 5 1
14 {} {0.254205066774 0.510143561633 0.730438147017} Si3 6 1
14 {} {0.541094378966 0.643567593759 0.358833200846} Si4 7 1
1 {} {0.334519079318 0.116121061809 0.644863700047} H1 8 1
1 {} {0.207031295533 0.255712389903 0.486489277332} H2 9 1
1 {} {0.660191422531 0.252556945497 0.327275762105} H3 10 1
1 {} {0.68242026237 0.372188873843 0.542320985429} H4 11 1
1 {} {0.106901796966 0.492860943744 0.742318894639} H5 12 1
1 {} {0.318723663474 0.55096236519 0.85823225549} H6 13 1
1 {} {0.410424797702 0.685875962767 0.301814998291} H7 14 1
1 {} {0.653448706977 0.704461581809 0.281658258957} H8 15 1
1 {} {0.550431459384 0.690042613229 0.501402554689} H10 16 1
8 {} {0.276346639674 0.626972269635 0.615439244647} O 17 1
1 {} {0.359163142524 0.677881569569 0.618205444094} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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