./iterations/neb0_image07_iter280.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481000694652 0.205648485388 0.502955199464} O1 1 1
14 {} {0.339060764557 0.210173877567 0.586476744476} Si1 2 1
14 {} {0.61181167589 0.292579245828 0.455278236313} Si2 3 1
8 {} {0.57473925326 0.450239068045 0.431956881578} O2 4 1
8 {} {0.315339959528 0.355509954665 0.658997557677} O3 5 1
14 {} {0.289494728238 0.517520398656 0.647001413288} Si3 6 1
14 {} {0.496610762977 0.59417339582 0.431796127527} Si4 7 1
1 {} {0.341554626406 0.10970448838 0.695347413436} H1 8 1
1 {} {0.230997272523 0.184654869616 0.487575559452} H2 9 1
1 {} {0.661687530225 0.24085830259 0.325853708845} H3 10 1
1 {} {0.713859750646 0.28209224789 0.562213051533} H4 11 1
1 {} {0.142823189562 0.541623129754 0.650149560665} H5 12 1
1 {} {0.358568686879 0.584315599678 0.76034223666} H6 13 1
1 {} {0.33908815311 0.918359757057 0.490921953786} H7 14 1
1 {} {0.471191759274 0.635960889981 0.291090438376} H8 15 1
1 {} {0.583800350607 0.692957831436 0.501607160275} H10 16 1
8 {} {0.350905439209 0.579666783407 0.507048744732} O 17 1
1 {} {0.307551174702 0.876479552694 0.544445706646} 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
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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