./iterations/neb0_image07_iter152.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 {} {0.471249311927 0.239890170613 0.492459726903} O1 1 1
14 {} {0.332569663309 0.221861064605 0.576747596181} Si1 2 1
14 {} {0.614930822689 0.306705779176 0.451120620926} Si2 3 1
8 {} {0.598060508241 0.469038778633 0.419526512157} O2 4 1
8 {} {0.309878260208 0.349471041165 0.680543598265} O3 5 1
14 {} {0.292732602852 0.511893708231 0.658213600394} Si3 6 1
14 {} {0.49673751846 0.596422105379 0.441002102061} Si4 7 1
1 {} {0.338311658777 0.0990129592527 0.660716716003} H1 8 1
1 {} {0.219608954691 0.215637770958 0.479758749903} H2 9 1
1 {} {0.662764817086 0.235529203845 0.330894244377} H3 10 1
1 {} {0.710370156842 0.285690756022 0.562267442622} H4 11 1
1 {} {0.147082600997 0.5481335092 0.657473330547} H5 12 1
1 {} {0.370530271024 0.586784902688 0.761685822182} H6 13 1
1 {} {0.349520500782 0.880386536068 0.483278910564} H7 14 1
1 {} {0.448717480857 0.66194790238 0.316677466014} H8 15 1
1 {} {0.573323533617 0.691801411893 0.528482722799} H10 16 1
8 {} {0.355299872279 0.550175291085 0.511898484957} O 17 1
1 {} {0.318397471205 0.822134933906 0.518310212398} 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