./iterations/neb0_image03_iter260.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 {} {0.457151825919 0.267093165322 0.487933456313} O1 1 1
14 {} {0.324110248313 0.239986947446 0.579243233167} Si1 2 1
14 {} {0.585917304925 0.349802617751 0.429720356604} Si2 3 1
8 {} {0.537224575414 0.493979810836 0.368999661314} O2 4 1
8 {} {0.30376657898 0.354998045237 0.694754963475} O3 5 1
14 {} {0.25377680642 0.505714772205 0.737233398687} Si3 6 1
14 {} {0.564117187205 0.656430742701 0.363904295378} Si4 7 1
1 {} {0.341356379067 0.110258995108 0.649524932762} H1 8 1
1 {} {0.205592155727 0.23888680188 0.488617617035} H2 9 1
1 {} {0.64426440702 0.269247058507 0.319539487466} H3 10 1
1 {} {0.682543347946 0.373736709692 0.540329121588} H4 11 1
1 {} {0.10480407345 0.504687111043 0.74393411771} H5 12 1
1 {} {0.317237791742 0.53961803425 0.866741848151} H6 13 1
1 {} {0.433790155217 0.721690630384 0.335501813403} H7 14 1
1 {} {0.661142070218 0.687615116553 0.254207965979} H8 15 1
1 {} {0.622136525032 0.705911836691 0.492237377169} H10 16 1
8 {} {0.30797377168 0.620688131695 0.631818682513} O 17 1
1 {} {0.263180949177 0.632171532686 0.546815287324} 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