./iterations/neb0_image08_iter89.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471813162418 0.218462879354 0.489447326796} O1 1 1
14 {} {0.333178627677 0.221072939217 0.57795995817} Si1 2 1
14 {} {0.602725831385 0.307405433903 0.444455338654} Si2 3 1
8 {} {0.559355329813 0.45952599438 0.400229446787} O2 4 1
8 {} {0.329253950133 0.352481394722 0.678136736203} O3 5 1
14 {} {0.298797973598 0.514459207859 0.675293991914} Si3 6 1
14 {} {0.504657382614 0.605026838604 0.453599908788} Si4 7 1
1 {} {0.329779469004 0.0994528603149 0.663445943293} H1 8 1
1 {} {0.217629820826 0.226503526185 0.483398923695} H2 9 1
1 {} {0.663426425504 0.24458693607 0.324642734106} H3 10 1
1 {} {0.697083363821 0.314205463885 0.559901204757} H4 11 1
1 {} {0.152290267356 0.538088481774 0.665477258509} H5 12 1
1 {} {0.356453710401 0.571088076581 0.800060979372} H6 13 1
1 {} {0.333079501723 0.844689114508 0.41700358355} H7 14 1
1 {} {0.472437031132 0.683892183431 0.33249471385} H8 15 1
1 {} {0.608570553244 0.670920851045 0.538133497655} H10 16 1
8 {} {0.367957777613 0.584788043375 0.544098804883} O 17 1
1 {} {0.311595950719 0.815867757698 0.483277605143} 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