./iterations/neb0_image06_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469484129902 0.225667529286 0.482099181209} O1 1 1
14 {} {0.332240242626 0.231404990671 0.571370163175} Si1 2 1
14 {} {0.595262618565 0.320092872168 0.440238732931} Si2 3 1
8 {} {0.538959290659 0.46956913446 0.401930144902} O2 4 1
8 {} {0.333164121357 0.363484488319 0.665019537616} O3 5 1
14 {} {0.292592846918 0.519733412923 0.684428714303} Si3 6 1
14 {} {0.4959859856 0.621296162549 0.447006677769} Si4 7 1
1 {} {0.329347568971 0.113307039021 0.659088518641} H1 8 1
1 {} {0.216060041134 0.235202829963 0.480036029272} H2 9 1
1 {} {0.662616199084 0.251026148463 0.328090763673} H3 10 1
1 {} {0.691313082326 0.332594368148 0.552076914488} H4 11 1
1 {} {0.143917714367 0.527398123086 0.695044121181} H5 12 1
1 {} {0.342084384336 0.563522179185 0.817022473602} H6 13 1
1 {} {0.357102633907 0.789666662 0.423107595413} H7 14 1
1 {} {0.515490188358 0.682702421102 0.308456624878} H8 15 1
1 {} {0.595469057817 0.684897621563 0.538187582017} H10 16 1
8 {} {0.365078733664 0.59702447795 0.556046199251} O 17 1
1 {} {0.333917293307 0.743927491967 0.481808009185} 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