./iterations/neb0_image02_iter288.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453759458961 0.268385804881 0.483435233728} O1 1 1
14 {} {0.325092168687 0.241951383083 0.58099459071} Si1 2 1
14 {} {0.584905834525 0.348562641663 0.427844410243} Si2 3 1
8 {} {0.540060962284 0.493606657045 0.365558786537} O2 4 1
8 {} {0.311381076469 0.359374138259 0.694493422444} O3 5 1
14 {} {0.24035401812 0.50295335102 0.733863814952} Si3 6 1
14 {} {0.565000702649 0.656035858432 0.357346263177} Si4 7 1
1 {} {0.347439806477 0.11241183213 0.650515785366} H1 8 1
1 {} {0.2032426641 0.238149956157 0.495018853338} H2 9 1
1 {} {0.644345581764 0.267545027817 0.318786668437} H3 10 1
1 {} {0.681424610102 0.371427847824 0.539361542732} H4 11 1
1 {} {0.09494910646 0.483081738753 0.755921118734} H5 12 1
1 {} {0.311185147234 0.552196032829 0.854728332034} H6 13 1
1 {} {0.437055699432 0.719723218831 0.317398708346} H7 14 1
1 {} {0.671529142717 0.687929587872 0.257822751443} H8 15 1
1 {} {0.60500588312 0.707433273308 0.49238021373} H10 16 1
8 {} {0.252332483142 0.613242688074 0.610856267986} O 17 1
1 {} {0.34102214971 0.648507238666 0.594730850619} 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