./iterations/neb0_image03_iter149.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460597139324 0.255852598161 0.492344204661} O1 1 1
14 {} {0.325785308297 0.234198550865 0.58208045986} Si1 2 1
14 {} {0.581822403169 0.347461679077 0.432273302492} Si2 3 1
8 {} {0.524681236266 0.490947048378 0.377047426264} O2 4 1
8 {} {0.311954265348 0.350812938281 0.69846134987} O3 5 1
14 {} {0.263953909376 0.504951937783 0.726691011909} Si3 6 1
14 {} {0.554023838713 0.652997498239 0.368370697267} Si4 7 1
1 {} {0.336395352365 0.101686605495 0.649239240488} H1 8 1
1 {} {0.208084548846 0.239691380651 0.490819756505} H2 9 1
1 {} {0.642424804704 0.273539960843 0.319929375469} H3 10 1
1 {} {0.682875471492 0.372943967852 0.537990424942} H4 11 1
1 {} {0.115458625586 0.51824653992 0.724984298568} H5 12 1
1 {} {0.323003328848 0.5416324633 0.856693615285} H6 13 1
1 {} {0.424810541849 0.71801788892 0.332731064016} H7 14 1
1 {} {0.656316990204 0.680141419554 0.261429053921} H8 15 1
1 {} {0.606794756848 0.710062770024 0.497948363278} H10 16 1
8 {} {0.32600152959 0.606560824369 0.607775169631} O 17 1
1 {} {0.265102139635 0.672771969281 0.574249007077} 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