./iterations/neb0_image01_iter51.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467717792251 0.240542433662 0.472328435702} O1 1 1
14 {} {0.328309208671 0.248905778282 0.559010480127} Si1 2 1
14 {} {0.598222869629 0.331273564918 0.431080234927} Si2 3 1
8 {} {0.551429012772 0.475356110903 0.368491099656} O2 4 1
8 {} {0.33385087984 0.379905412845 0.658272161753} O3 5 1
14 {} {0.265347264978 0.51476734367 0.722693631312} Si3 6 1
14 {} {0.530046464626 0.638169618605 0.374261378878} Si4 7 1
1 {} {0.31924450745 0.125222159699 0.641117645712} H1 8 1
1 {} {0.213469863833 0.260201485125 0.4648788128} H2 9 1
1 {} {0.671250291834 0.256197501998 0.326040863365} H3 10 1
1 {} {0.683006607126 0.354935807244 0.551383683759} H4 11 1
1 {} {0.120316336663 0.49163054376 0.745726750788} H5 12 1
1 {} {0.341343272105 0.543507609868 0.847460518992} H6 13 1
1 {} {0.38757403377 0.670719812113 0.345795177167} H7 14 1
1 {} {0.617926007366 0.703164687811 0.273160505792} H8 15 1
1 {} {0.564952457063 0.690255225178 0.51029890722} H10 16 1
8 {} {0.269822757852 0.643661637146 0.619775823489} O 17 1
1 {} {0.34625652124 0.704101222514 0.619281872302} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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