iterations/neb0_image08_iter119.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471092585461 0.221101597453 0.489504033236} O1 1 1
14 {} {0.331899111656 0.22078412401 0.577127505614} Si1 2 1
14 {} {0.605030473549 0.305740223515 0.445485043606} Si2 3 1
8 {} {0.566212146059 0.459317932069 0.40276817671} O2 4 1
8 {} {0.325648848517 0.350642406591 0.678252891025} O3 5 1
14 {} {0.29985678516 0.513064340983 0.676047300849} Si3 6 1
14 {} {0.507632477956 0.603925796877 0.453501487333} Si4 7 1
1 {} {0.328522441005 0.098049266504 0.661063880127} H1 8 1
1 {} {0.216344570986 0.227164014034 0.482799544622} H2 9 1
1 {} {0.662480227711 0.238921227526 0.326321720286} H3 10 1
1 {} {0.700299428193 0.312891661793 0.559784501832} H4 11 1
1 {} {0.154220429841 0.539947719055 0.665568614905} H5 12 1
1 {} {0.356911225897 0.568836077859 0.801357448948} H6 13 1
1 {} {0.332447903019 0.859473523679 0.425484730652} H7 14 1
1 {} {0.473748521364 0.679919671789 0.330519933034} H8 15 1
1 {} {0.609388548368 0.676304838047 0.535886067589} H10 16 1
8 {} {0.372488045078 0.5802324634 0.544732702639} O 17 1
1 {} {0.295862405153 0.816201095303 0.474852350441} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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