./iterations/neb0_image06_iter241.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 {} {0.474592480087 0.234018844168 0.492322140996} O1 1 1
14 {} {0.327408589623 0.216953113332 0.56462693962} Si1 2 1
14 {} {0.607069728978 0.325568165567 0.463979288923} Si2 3 1
8 {} {0.579981058192 0.485224226505 0.493861247562} O2 4 1
8 {} {0.283288040557 0.351618715336 0.647426369359} O3 5 1
14 {} {0.283230954048 0.514794760512 0.649638334533} Si3 6 1
14 {} {0.489433054865 0.61523302341 0.450061332067} Si4 7 1
1 {} {0.335804500206 0.108330123056 0.663868067308} H1 8 1
1 {} {0.228538426568 0.185591639712 0.458982799064} H2 9 1
1 {} {0.648008010981 0.314452151361 0.320448785301} H3 10 1
1 {} {0.714376954515 0.284747647896 0.559047105419} H4 11 1
1 {} {0.146246330849 0.547668126637 0.702339163179} H5 12 1
1 {} {0.384970064024 0.573297937147 0.740638508453} H6 13 1
1 {} {0.389047326158 0.809985183761 0.524956523118} H7 14 1
1 {} {0.474024887836 0.63583251788 0.303342604372} H8 15 1
1 {} {0.592447806604 0.718820582477 0.489562341052} H10 16 1
8 {} {0.328524853783 0.577620014921 0.502770344635} O 17 1
1 {} {0.323092892911 0.772761215363 0.503186305701} 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