./iterations/neb0_image03_iter261.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 {} {0.457245318662 0.267168227107 0.487879337854} O1 1 1
14 {} {0.324171159012 0.240080084864 0.579164480007} Si1 2 1
14 {} {0.586079620608 0.349815720704 0.429736558558} Si2 3 1
8 {} {0.537456679235 0.493989477239 0.369038768625} O2 4 1
8 {} {0.303750169696 0.355036526225 0.694499414119} O3 5 1
14 {} {0.253645823954 0.505810280368 0.73722356854} Si3 6 1
14 {} {0.564210120137 0.656479730578 0.363935208227} Si4 7 1
1 {} {0.341395249434 0.110306301569 0.649491952842} H1 8 1
1 {} {0.20551073697 0.238833299896 0.48859755333} H2 9 1
1 {} {0.64426796713 0.269175321999 0.319661858485} H3 10 1
1 {} {0.682537365081 0.373532465007 0.540414659872} H4 11 1
1 {} {0.104665649778 0.504476986636 0.744206130625} H5 12 1
1 {} {0.317226094383 0.53967007605 0.866716401884} H6 13 1
1 {} {0.433895040804 0.721858344054 0.335883287118} H7 14 1
1 {} {0.660896223914 0.687739475702 0.254037670864} H8 15 1
1 {} {0.622221234448 0.705748300916 0.492240378561} H10 16 1
8 {} {0.307803649132 0.620746212077 0.631858858538} O 17 1
1 {} {0.263108050014 0.632051228226 0.546471525765} 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