./iterations/neb0_image09_iter74.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472224862961 0.213157064415 0.494923140257} O1 1 1
14 {} {0.336201361604 0.216268949805 0.586400842465} Si1 2 1
14 {} {0.603159583386 0.29928775635 0.4449325164} Si2 3 1
8 {} {0.559706088042 0.451519241383 0.401964038035} O2 4 1
8 {} {0.328684125213 0.355128912026 0.675051880787} O3 5 1
14 {} {0.296825115834 0.516090046125 0.669157721675} Si3 6 1
14 {} {0.50698332395 0.599320861 0.450807120024} Si4 7 1
1 {} {0.339930106941 0.102343979707 0.681279402701} H1 8 1
1 {} {0.218480866038 0.209146846152 0.495806718913} H2 9 1
1 {} {0.65895572532 0.232318007434 0.324862984318} H3 10 1
1 {} {0.701733809231 0.306073864833 0.556576536615} H4 11 1
1 {} {0.150341692645 0.538119658514 0.655652707283} H5 12 1
1 {} {0.351300107217 0.576393472472 0.793934063408} H6 13 1
1 {} {0.323473227367 0.878111171466 0.413794500351} H7 14 1
1 {} {0.475763443277 0.678509532769 0.329714702398} H8 15 1
1 {} {0.611075101835 0.663645916885 0.535944913241} H10 16 1
8 {} {0.368096468532 0.584897004453 0.538488386776} O 17 1
1 {} {0.307151156095 0.852185652973 0.48176580073} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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