./iterations/neb0_image03_iter31.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469870161209 0.232861572134 0.479859514898} O1 1 1
14 {} {0.331972703366 0.240126038578 0.567535126929} Si1 2 1
14 {} {0.593367975394 0.331596196267 0.433721022128} Si2 3 1
8 {} {0.534621493754 0.477319641519 0.385446115448} O2 4 1
8 {} {0.332666140795 0.377544121965 0.659575063511} O3 5 1
14 {} {0.274739311931 0.522584556225 0.706443374555} Si3 6 1
14 {} {0.524265014575 0.642987040079 0.389126460835} Si4 7 1
1 {} {0.326710984486 0.119945467081 0.655395526128} H1 8 1
1 {} {0.215351787759 0.24164169397 0.475954341767} H2 9 1
1 {} {0.664302866973 0.251194647369 0.329145257281} H3 10 1
1 {} {0.687884078401 0.338722666032 0.549883538953} H4 11 1
1 {} {0.127677083346 0.510836063721 0.719156993121} H5 12 1
1 {} {0.340762497807 0.553620549277 0.836392179152} H6 13 1
1 {} {0.390022595494 0.703396893186 0.378896549531} H7 14 1
1 {} {0.592295628773 0.696192260562 0.268444229167} H8 15 1
1 {} {0.575716748748 0.683014224048 0.521145254229} H10 16 1
8 {} {0.311123041474 0.625111975814 0.586420907885} O 17 1
1 {} {0.316736009744 0.723822359653 0.588516532154} 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