./iterations/neb0_image04_iter155.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 {} {0.464208455306 0.246948144633 0.485842401732} O1 1 1
14 {} {0.325374000235 0.230991946686 0.573327476639} Si1 2 1
14 {} {0.58865609898 0.344821533144 0.442760089626} Si2 3 1
8 {} {0.534969188269 0.495675700055 0.412503961577} O2 4 1
8 {} {0.30337458164 0.353956983399 0.677166791341} O3 5 1
14 {} {0.258996112698 0.509179057079 0.706860113775} Si3 6 1
14 {} {0.552563810071 0.659960695992 0.399886125024} Si4 7 1
1 {} {0.336756298442 0.105589583856 0.652722502096} H1 8 1
1 {} {0.215692807136 0.220477314553 0.473258364227} H2 9 1
1 {} {0.648119440501 0.288874219755 0.319015377511} H3 10 1
1 {} {0.691469971395 0.346819989937 0.550315430949} H4 11 1
1 {} {0.112110073052 0.520558678135 0.731711916192} H5 12 1
1 {} {0.342392465138 0.55429339629 0.820155451369} H6 13 1
1 {} {0.421538229371 0.733639567326 0.414411671026} H7 14 1
1 {} {0.606031441753 0.691140473794 0.262551802699} H8 15 1
1 {} {0.648514498521 0.710998833232 0.505415618591} H10 16 1
8 {} {0.303364639859 0.592316437016 0.571342266584} O 17 1
1 {} {0.255953938927 0.66627530468 0.531810690601} 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