./iterations/neb0_image05_iter107.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470459916089 0.227714086427 0.491081739396} O1 1 1
14 {} {0.330845598564 0.223416653155 0.573531868817} Si1 2 1
14 {} {0.591851483051 0.332593789808 0.449055210509} Si2 3 1
8 {} {0.532374621131 0.481981165769 0.424446731798} O2 4 1
8 {} {0.324405091395 0.356617494418 0.67205070197} O3 5 1
14 {} {0.286644620025 0.513982057856 0.678727999882} Si3 6 1
14 {} {0.507000294128 0.650687523412 0.428405848111} Si4 7 1
1 {} {0.328151444809 0.102601296875 0.658594067124} H1 8 1
1 {} {0.213984883185 0.227446167649 0.482480558225} H2 9 1
1 {} {0.648665311189 0.278558030835 0.322375744116} H3 10 1
1 {} {0.694552364237 0.327907346831 0.55976157349} H4 11 1
1 {} {0.139922350597 0.536769539242 0.680409164207} H5 12 1
1 {} {0.35967676036 0.576293744375 0.791575974263} H6 13 1
1 {} {0.411363464226 0.777508207666 0.43850238604} H7 14 1
1 {} {0.524653971062 0.675525206095 0.281785052712} H8 15 1
1 {} {0.605916501734 0.698268650788 0.528924219717} H10 16 1
8 {} {0.33489416296 0.595502534216 0.536504114334} O 17 1
1 {} {0.304723241207 0.689144424558 0.532845050071} 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