iterations/neb0_image03_iter286.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457823584298 0.261435141386 0.481781207111} O1 1 1
14 {} {0.324380551048 0.241148365714 0.575097069231} Si1 2 1
14 {} {0.589829019531 0.344790969716 0.431954590839} Si2 3 1
8 {} {0.545070129515 0.491437686779 0.372975746806} O2 4 1
8 {} {0.305480877347 0.363847432095 0.681083177433} O3 5 1
14 {} {0.250690346627 0.510409499921 0.731708928812} Si3 6 1
14 {} {0.563825431647 0.655550034896 0.372498012185} Si4 7 1
1 {} {0.34155123849 0.115118688847 0.651529821605} H1 8 1
1 {} {0.208070664686 0.235691834447 0.48298603311} H2 9 1
1 {} {0.652335579854 0.268513848171 0.320405662817} H3 10 1
1 {} {0.684559931249 0.362772405271 0.546299052803} H4 11 1
1 {} {0.103910273748 0.499476086059 0.751156214797} H5 12 1
1 {} {0.319960382925 0.548021735161 0.856650861056} H6 13 1
1 {} {0.428059561487 0.71658257991 0.364991821648} H7 14 1
1 {} {0.642725778594 0.696369772555 0.250550236702} H8 15 1
1 {} {0.633847101324 0.699868951833 0.497807011352} H10 16 1
8 {} {0.292729611637 0.630783297946 0.627064788249} O 17 1
1 {} {0.265236005637 0.630699662074 0.534517347141} 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