./iterations/neb0_image08_iter218.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 {} {0.471863926123 0.225679011126 0.49318194949} O1 1 1
14 {} {0.330597552025 0.218895427661 0.576556014982} Si1 2 1
14 {} {0.613531714257 0.297250005523 0.451172728296} Si2 3 1
8 {} {0.592847377386 0.456806194977 0.416965056062} O2 4 1
8 {} {0.313044885738 0.348856949639 0.676756734074} O3 5 1
14 {} {0.30031482425 0.51320261978 0.66967795552} Si3 6 1
14 {} {0.511958663569 0.59651746517 0.448742994323} Si4 7 1
1 {} {0.331688162584 0.0969170952955 0.661186327672} H1 8 1
1 {} {0.219123759888 0.216722161061 0.477901663027} H2 9 1
1 {} {0.663316012302 0.230127316627 0.328205376512} H3 10 1
1 {} {0.710118053612 0.285356808461 0.564496915543} H4 11 1
1 {} {0.157271939698 0.552714375579 0.659537681959} H5 12 1
1 {} {0.365657465935 0.568462566303 0.791669502981} H6 13 1
1 {} {0.311293869871 0.908123229732 0.474337420245} H7 14 1
1 {} {0.471740355692 0.654696285473 0.317652772934} H8 15 1
1 {} {0.600596428617 0.68657390069 0.52753776833} H10 16 1
8 {} {0.375022787247 0.569807240699 0.534547153813} O 17 1
1 {} {0.270098486091 0.845809212598 0.460931710419} 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