./iterations/neb0_image05_iter239.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471378887195 0.25767069958 0.491577349002} O1 1 1
14 {} {0.325673356189 0.229243921297 0.558945749711} Si1 2 1
14 {} {0.60865613909 0.346542170851 0.471636126025} Si2 3 1
8 {} {0.580603349493 0.504901837167 0.517593007815} O2 4 1
8 {} {0.264339132542 0.364372240425 0.625096101359} O3 5 1
14 {} {0.233970031922 0.524703500556 0.658305143235} Si3 6 1
14 {} {0.575800540466 0.657832241238 0.454667300625} Si4 7 1
1 {} {0.338626999975 0.125466617202 0.665784402846} H1 8 1
1 {} {0.234783045645 0.180720445353 0.450312608579} H2 9 1
1 {} {0.647751830993 0.341491035651 0.326916466797} H3 10 1
1 {} {0.714711088954 0.289291307166 0.559002308893} H4 11 1
1 {} {0.136826089261 0.530191193254 0.772587159496} H5 12 1
1 {} {0.365168023049 0.592399974253 0.689221372595} H6 13 1
1 {} {0.513988648429 0.74707758825 0.557195294017} H7 14 1
1 {} {0.486004836392 0.651105043756 0.331193395621} H8 15 1
1 {} {0.715641629796 0.708748548075 0.417483435944} H10 16 1
8 {} {0.163817816227 0.603565875766 0.528421320315} O 17 1
1 {} {0.232344579372 0.617193840575 0.455119660225} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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