./iterations/neb0_image02_iter281.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 {} {0.455221057234 0.268490489955 0.48625871924} O1 1 1
14 {} {0.32518471632 0.240927916038 0.582645048999} Si1 2 1
14 {} {0.584084051922 0.34967275468 0.427901307226} Si2 3 1
8 {} {0.53669726912 0.493933491891 0.365558456098} O2 4 1
8 {} {0.31155495064 0.358259761197 0.697516763065} O3 5 1
14 {} {0.240404399193 0.502666922504 0.733811617026} Si3 6 1
14 {} {0.565398387765 0.655929939476 0.356534855655} Si4 7 1
1 {} {0.347527561308 0.110824318065 0.651649100294} H1 8 1
1 {} {0.203583652646 0.237900447073 0.496342421815} H2 9 1
1 {} {0.642513829512 0.268071547395 0.318369538234} H3 10 1
1 {} {0.681846878952 0.373985226419 0.538065560525} H4 11 1
1 {} {0.0940956371261 0.483753036875 0.754300165453} H5 12 1
1 {} {0.310705561268 0.55276471911 0.855241080777} H6 13 1
1 {} {0.438776680375 0.721274818666 0.314235030043} H7 14 1
1 {} {0.673880293623 0.685157680719 0.257949386452} H8 15 1
1 {} {0.604218647981 0.707964863531 0.491503461894} H10 16 1
8 {} {0.252921565205 0.611281499412 0.609722541414} O 17 1
1 {} {0.341471298705 0.649658793671 0.593452652595} 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