./iterations/neb0_image04_iter150.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.463944724032 0.246823599467 0.48603679831} O1 1 1
14 {} {0.326121471882 0.229508204172 0.573315854691} Si1 2 1
14 {} {0.587630332187 0.344037607288 0.443008147456} Si2 3 1
8 {} {0.532855950519 0.49673802452 0.412134079608} O2 4 1
8 {} {0.305417183107 0.353019196336 0.678179918899} O3 5 1
14 {} {0.260846937213 0.509605883691 0.705680215733} Si3 6 1
14 {} {0.549701376659 0.661418268133 0.401060682558} Si4 7 1
1 {} {0.335744113382 0.10435418831 0.652498897106} H1 8 1
1 {} {0.214843539346 0.221298660641 0.474661917513} H2 9 1
1 {} {0.647085683112 0.287563669891 0.320273369697} H3 10 1
1 {} {0.691450497651 0.348127310749 0.549501131902} H4 11 1
1 {} {0.113083896773 0.522213933168 0.727177655587} H5 12 1
1 {} {0.343040514943 0.554513386454 0.820715567681} H6 13 1
1 {} {0.421055274435 0.73345082396 0.412435206953} H7 14 1
1 {} {0.605019442263 0.690595981488 0.262944975195} H8 15 1
1 {} {0.645728369225 0.710766264238 0.506499955573} H10 16 1
8 {} {0.3074015412 0.592578053201 0.572736199438} O 17 1
1 {} {0.259115207209 0.665904806621 0.532197468467} 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