./iterations/neb0_image09_iter247.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472438078283 0.214757741848 0.494212157546} O1 1 1
14 {} {0.333377373732 0.215009025188 0.581710450413} Si1 2 1
14 {} {0.606588558497 0.295748247568 0.445599837167} Si2 3 1
8 {} {0.570286853751 0.45098576346 0.405459313491} O2 4 1
8 {} {0.322595742895 0.349771418215 0.675386586697} O3 5 1
14 {} {0.300500182263 0.51291076296 0.672458535601} Si3 6 1
14 {} {0.51173732199 0.596939887238 0.452438668625} Si4 7 1
1 {} {0.334186829364 0.0972395833142 0.672016326249} H1 8 1
1 {} {0.219034782385 0.210601485277 0.486321179137} H2 9 1
1 {} {0.658915287937 0.228401195553 0.324325661985} H3 10 1
1 {} {0.705948439819 0.295660878352 0.556569645663} H4 11 1
1 {} {0.155736048589 0.543707143513 0.659566616016} H5 12 1
1 {} {0.358371756346 0.567119698993 0.798207939178} H6 13 1
1 {} {0.315378785861 0.915476576491 0.433462198926} H7 14 1
1 {} {0.475350929177 0.67284246388 0.330264339356} H8 15 1
1 {} {0.614789046766 0.666910642181 0.534043024263} H10 16 1
8 {} {0.375389755374 0.579890911367 0.542480331371} O 17 1
1 {} {0.27946036572 0.858544518529 0.466534827613} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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