iterations/neb0_image09_iter188.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 {} {0.472045069639 0.216294729875 0.494040024542} O1 1 1
14 {} {0.333476224918 0.215466589004 0.582135973026} Si1 2 1
14 {} {0.60555690066 0.298080333483 0.444508192428} Si2 3 1
8 {} {0.568236472674 0.452201154545 0.401409986357} O2 4 1
8 {} {0.323194617655 0.3492440195 0.677669034963} O3 5 1
14 {} {0.299352546806 0.511977449147 0.672879294482} Si3 6 1
14 {} {0.510680779466 0.597474193201 0.452395071934} Si4 7 1
1 {} {0.335588180055 0.0971092168994 0.671477148129} H1 8 1
1 {} {0.218208799968 0.212711785524 0.487742907742} H2 9 1
1 {} {0.659502830031 0.229215708909 0.324641955554} H3 10 1
1 {} {0.704520362714 0.302107598439 0.555875045399} H4 11 1
1 {} {0.154061670245 0.541007069181 0.659410803088} H5 12 1
1 {} {0.355722414645 0.568277795149 0.798412967236} H6 13 1
1 {} {0.31864478744 0.905565454313 0.426374252748} H7 14 1
1 {} {0.474171948859 0.675613043014 0.331851442654} H8 15 1
1 {} {0.614921127613 0.665848433047 0.533993561752} H10 16 1
8 {} {0.374824861605 0.578006889042 0.54301882346} O 17 1
1 {} {0.287376509824 0.856316463243 0.473221214818} 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