./iterations/neb0_image05_iter224.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 {} {0.474365795193 0.251003045706 0.491067934425} O1 1 1
14 {} {0.325946539192 0.229347500314 0.559800593553} Si1 2 1
14 {} {0.605728249761 0.346471663707 0.470084589297} Si2 3 1
8 {} {0.570025866175 0.502695684354 0.508270587898} O2 4 1
8 {} {0.272730159666 0.365829462809 0.632325261298} O3 5 1
14 {} {0.237042624943 0.523239216888 0.661888936855} Si3 6 1
14 {} {0.571784324435 0.656270913891 0.448665385737} Si4 7 1
1 {} {0.338200779761 0.122108747746 0.661490695736} H1 8 1
1 {} {0.229532227915 0.183921805782 0.455382853805} H2 9 1
1 {} {0.646697384539 0.338026509549 0.326968169756} H3 10 1
1 {} {0.712518770919 0.297460174054 0.560285187109} H4 11 1
1 {} {0.136469583552 0.524077264518 0.772263645089} H5 12 1
1 {} {0.363555795376 0.59415973896 0.691028428594} H6 13 1
1 {} {0.495791505564 0.739016450031 0.548809395215} H7 14 1
1 {} {0.497628033021 0.65754973953 0.317637338897} H8 15 1
1 {} {0.711805976577 0.707019489671 0.427842141776} H10 16 1
8 {} {0.172292518761 0.602902167229 0.530230080509} O 17 1
1 {} {0.247969871748 0.63141846286 0.467016965487} 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