iterations/neb0_image02_iter79.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 {} {0.468224868352 0.23685283043 0.477178116092} O1 1 1
14 {} {0.329646183265 0.243619146632 0.565248393191} Si1 2 1
14 {} {0.594739894556 0.331620035479 0.431357969217} Si2 3 1
8 {} {0.540895016495 0.475558103477 0.374831505082} O2 4 1
8 {} {0.330308227255 0.375254225234 0.663269580983} O3 5 1
14 {} {0.26603149018 0.517361636723 0.714525158449} Si3 6 1
14 {} {0.530462991416 0.639710356045 0.379295154474} Si4 7 1
1 {} {0.32382447505 0.121840131006 0.650335684765} H1 8 1
1 {} {0.213636878682 0.250392338874 0.472322281991} H2 9 1
1 {} {0.665910890281 0.260334974417 0.321723961764} H3 10 1
1 {} {0.682791319546 0.354134077046 0.549775056939} H4 11 1
1 {} {0.121071882158 0.495998833001 0.736986723346} H5 12 1
1 {} {0.339041093858 0.558197941897 0.837786687012} H6 13 1
1 {} {0.389456692466 0.67928890648 0.356706136957} H7 14 1
1 {} {0.617168025229 0.697523454034 0.272593664642} H8 15 1
1 {} {0.577295725776 0.69095322336 0.512209992222} H10 16 1
8 {} {0.279820662476 0.634309744294 0.599208281259} O 17 1
1 {} {0.339759796784 0.709568021261 0.615703637121} 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