./iterations/neb0_image04_iter113.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466839030749 0.23552093302 0.490321275301} O1 1 1
14 {} {0.328078451208 0.228292214375 0.57691417231} Si1 2 1
14 {} {0.583927032492 0.340848089166 0.441359697396} Si2 3 1
8 {} {0.520039687247 0.487516987568 0.404115313622} O2 4 1
8 {} {0.31998017819 0.355812430856 0.681064563922} O3 5 1
14 {} {0.278548957818 0.512781669622 0.700650560271} Si3 6 1
14 {} {0.531214129777 0.652378873299 0.400783382451} Si4 7 1
1 {} {0.330424919986 0.10236587454 0.655651911719} H1 8 1
1 {} {0.210707793072 0.23184956738 0.485565664296} H2 9 1
1 {} {0.644218430186 0.28256622017 0.318940313978} H3 10 1
1 {} {0.684439963678 0.352665110153 0.551263560315} H4 11 1
1 {} {0.130651435118 0.531052785246 0.694274954622} H5 12 1
1 {} {0.341604760022 0.559501914794 0.826741437953} H6 13 1
1 {} {0.406313248139 0.735068851752 0.395496689699} H7 14 1
1 {} {0.593814739984 0.682985733729 0.270090681373} H8 15 1
1 {} {0.608058259326 0.70190121946 0.51755617888} H10 16 1
8 {} {0.341049429374 0.602814768644 0.577556169457} O 17 1
1 {} {0.290175639683 0.676594690762 0.542711466127} 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