./iterations/neb0_image06_iter78.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469050431301 0.223009155362 0.487834755089} O1 1 1
14 {} {0.330934877005 0.225203408633 0.577382067479} Si1 2 1
14 {} {0.594047378861 0.31952452287 0.443722146929} Si2 3 1
8 {} {0.542225827189 0.468573060402 0.408548882757} O2 4 1
8 {} {0.326421103469 0.354817087112 0.678364584155} O3 5 1
14 {} {0.295736061148 0.516318320233 0.679496058694} Si3 6 1
14 {} {0.498883686426 0.620757981414 0.44882543825} Si4 7 1
1 {} {0.327489811689 0.104632880333 0.662975903296} H1 8 1
1 {} {0.216220656624 0.231502932746 0.483694209318} H2 9 1
1 {} {0.655634054205 0.269091229741 0.318872049594} H3 10 1
1 {} {0.68858855328 0.333184269289 0.557224354141} H4 11 1
1 {} {0.148171475484 0.539720582287 0.673969535745} H5 12 1
1 {} {0.350548289496 0.569997894551 0.807673319262} H6 13 1
1 {} {0.368362890259 0.787859875893 0.427831813335} H7 14 1
1 {} {0.505014763149 0.680341341965 0.31125694485} H8 15 1
1 {} {0.59818454493 0.693402812575 0.53344232009} H10 16 1
8 {} {0.365490634113 0.587398351886 0.548673089726} O 17 1
1 {} {0.32908106866 0.747182257919 0.481270515896} 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