./iterations/neb0_image07_iter68.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 {} {0.470561636728 0.219934478153 0.485277937484} O1 1 1
14 {} {0.332292046852 0.224713662523 0.574401622695} Si1 2 1
14 {} {0.599159072558 0.312617006614 0.443561212287} Si2 3 1
8 {} {0.550776493447 0.463353646819 0.403483083882} O2 4 1
8 {} {0.330660116013 0.354982872335 0.675064088786} O3 5 1
14 {} {0.29843611432 0.515805820248 0.68000040893} Si3 6 1
14 {} {0.501638444248 0.610125262293 0.455258562316} Si4 7 1
1 {} {0.32687740417 0.103243205156 0.659199768867} H1 8 1
1 {} {0.216880755577 0.23328113626 0.481043175159} H2 9 1
1 {} {0.662185957044 0.255160457726 0.32271619536} H3 10 1
1 {} {0.692032308218 0.326181441517 0.558526604097} H4 11 1
1 {} {0.152180885258 0.538580934639 0.671413353204} H5 12 1
1 {} {0.354863909094 0.570960629772 0.805539000526} H6 13 1
1 {} {0.349253194593 0.815381037968 0.420995489251} H7 14 1
1 {} {0.481867058991 0.684413625819 0.32866349647} H8 15 1
1 {} {0.603102319813 0.679776908344 0.539667153058} H10 16 1
8 {} {0.368215754051 0.588010789833 0.550048653332} O 17 1
1 {} {0.319102669223 0.775995049334 0.476198153921} 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