./iterations/neb0_image04_iter27.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 {} {0.469664035488 0.227621111452 0.483176213732} O1 1 1
14 {} {0.332794161175 0.237274898379 0.572852716078} Si1 2 1
14 {} {0.594217756734 0.326973102819 0.436458273109} Si2 3 1
8 {} {0.535468711051 0.478929641691 0.392966656955} O2 4 1
8 {} {0.332531936406 0.376128037435 0.65886497437} O3 5 1
14 {} {0.277019511848 0.523813995428 0.701573047802} Si3 6 1
14 {} {0.509141110718 0.646710003358 0.404203773534} Si4 7 1
1 {} {0.330058412602 0.116201131663 0.661982776632} H1 8 1
1 {} {0.215695491647 0.234048436894 0.480340060025} H2 9 1
1 {} {0.663909454135 0.245196213437 0.328361184473} H3 10 1
1 {} {0.692160746528 0.330890981326 0.552017764225} H4 11 1
1 {} {0.132300901777 0.51780430484 0.706055677562} H5 12 1
1 {} {0.340191012042 0.557851430111 0.826523607477} H6 13 1
1 {} {0.387229521671 0.738818061167 0.397434485329} H7 14 1
1 {} {0.567693934891 0.689410253999 0.272365009188} H8 15 1
1 {} {0.584053146287 0.679400424255 0.526626608147} H10 16 1
8 {} {0.330208352107 0.625409596707 0.578291218953} O 17 1
1 {} {0.315747935003 0.720036337101 0.550963962291} 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