./iterations/neb0_image09_iter156.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 {} {0.471595745986 0.217098643028 0.49436671293} O1 1 1
14 {} {0.333870690868 0.215406339725 0.583105787913} Si1 2 1
14 {} {0.605166907048 0.298988544613 0.444458966789} Si2 3 1
8 {} {0.566780365964 0.452543080331 0.400201341322} O2 4 1
8 {} {0.324214812575 0.349952338078 0.677876069977} O3 5 1
14 {} {0.299072037953 0.512417944253 0.672639833049} Si3 6 1
14 {} {0.509728572784 0.598197075801 0.451425621256} Si4 7 1
1 {} {0.336243507417 0.0966782548553 0.671946570402} H1 8 1
1 {} {0.218605766566 0.213004681733 0.489251273937} H2 9 1
1 {} {0.659609213755 0.229061642895 0.325272458279} H3 10 1
1 {} {0.704184224246 0.30294888553 0.556262427625} H4 11 1
1 {} {0.153778507765 0.5406734302 0.657560985109} H5 12 1
1 {} {0.355095658114 0.569249806552 0.79835584632} H6 13 1
1 {} {0.319992187672 0.899781845447 0.422985308508} H7 14 1
1 {} {0.473019470229 0.677909397992 0.331905150726} H8 15 1
1 {} {0.614191935549 0.664623362566 0.534362202223} H10 16 1
8 {} {0.373164203627 0.578898389208 0.542937423579} O 17 1
1 {} {0.291772309164 0.855084261255 0.476143788219} 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