iterations/neb0_image02_iter184.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 {} {0.463779015247 0.254106883576 0.490691395821} O1 1 1
14 {} {0.328463706635 0.239687536641 0.581997373226} Si1 2 1
14 {} {0.586151282191 0.344406755192 0.429802864172} Si2 3 1
8 {} {0.529061376897 0.486224296095 0.369741123333} O2 4 1
8 {} {0.318837846202 0.361108419055 0.692033657153} O3 5 1
14 {} {0.250701743231 0.507328365575 0.72655913026} Si3 6 1
14 {} {0.551563120006 0.649326380837 0.361757299902} Si4 7 1
1 {} {0.337983322571 0.111079466633 0.656115840642} H1 8 1
1 {} {0.209326502087 0.2417209375 0.49208990813} H2 9 1
1 {} {0.646530233748 0.266395310634 0.318806115577} H3 10 1
1 {} {0.684189112142 0.373346890563 0.538442906018} H4 11 1
1 {} {0.103813151614 0.491200536141 0.742108965358} H5 12 1
1 {} {0.317788728992 0.556268823446 0.850231609673} H6 13 1
1 {} {0.424379380649 0.714330966338 0.318663880753} H7 14 1
1 {} {0.659865584172 0.68124587578 0.264316026087} H8 15 1
1 {} {0.590050714918 0.702011422634 0.496728024625} H10 16 1
8 {} {0.26721428005 0.61478488331 0.601981544436} O 17 1
1 {} {0.340387006214 0.677944177832 0.598990482314} 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