./iterations/neb0_image08_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_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 {} {0.472684236966 0.22385806658 0.493545750635} O1 1 1
14 {} {0.331577597825 0.218334303711 0.576955661108} Si1 2 1
14 {} {0.613684802123 0.295972078683 0.452305856322} Si2 3 1
8 {} {0.591216524701 0.455544994527 0.421580154197} O2 4 1
8 {} {0.314281703553 0.35005075973 0.673930888135} O3 5 1
14 {} {0.300168334696 0.513871716096 0.666713514986} Si3 6 1
14 {} {0.510821469562 0.595938227001 0.446901162952} Si4 7 1
1 {} {0.332606054335 0.0983583724142 0.663846126737} H1 8 1
1 {} {0.220235349746 0.212792866241 0.47846592253} H2 9 1
1 {} {0.662953137378 0.230681348957 0.328769572002} H3 10 1
1 {} {0.710521219912 0.281927583143 0.56417604819} H4 11 1
1 {} {0.157159338425 0.552594522582 0.658811096377} H5 12 1
1 {} {0.36617285578 0.56867789008 0.788144635676} H6 13 1
1 {} {0.311468410608 0.912788818787 0.474013655833} H7 14 1
1 {} {0.472982934348 0.652770444833 0.315273716122} H8 15 1
1 {} {0.597705422936 0.687037912646 0.52576163715} H10 16 1
8 {} {0.371665174176 0.571719581484 0.530548348534} O 17 1
1 {} {0.272181678918 0.849598394312 0.471313970969} 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