iterations/neb0_image01_iter16.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 {} {0.467627999486 0.243142301296 0.471528345642} O1 1 1
14 {} {0.327724680675 0.25054908788 0.556988268559} Si1 2 1
14 {} {0.601863035852 0.330457414967 0.431348904639} Si2 3 1
8 {} {0.559133086954 0.475282987951 0.366218940206} O2 4 1
8 {} {0.332163396858 0.378286237466 0.65823585807} O3 5 1
14 {} {0.267003225301 0.513331626988 0.728064823084} Si3 6 1
14 {} {0.526465880655 0.637901188144 0.371130743834} Si4 7 1
1 {} {0.316879678422 0.126092023676 0.638410267523} H1 8 1
1 {} {0.213619719695 0.26374498921 0.461481046566} H2 9 1
1 {} {0.675001937101 0.248987432701 0.32992283576} H3 10 1
1 {} {0.685040019152 0.350056691222 0.554382361738} H4 11 1
1 {} {0.121601398672 0.48872123816 0.747405240971} H5 12 1
1 {} {0.341852899091 0.531959016698 0.855918282008} H6 13 1
1 {} {0.387977689045 0.683181119538 0.337380182163} H7 14 1
1 {} {0.613275804922 0.70446603453 0.271351801544} H8 15 1
1 {} {0.559327677292 0.688971565443 0.507880839742} H10 16 1
8 {} {0.272448441097 0.646321389473 0.627649106595} O 17 1
1 {} {0.341079564817 0.711065606684 0.61576014322} 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