./iterations/neb0_image04_iter228.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 {} {0.465121191845 0.259451777718 0.489128972989} O1 1 1
14 {} {0.325668067466 0.229136334281 0.569290939368} Si1 2 1
14 {} {0.594625683835 0.348886375763 0.446324273662} Si2 3 1
8 {} {0.55185563055 0.504150975036 0.423394373652} O2 4 1
8 {} {0.288561164372 0.347770165442 0.677161037631} O3 5 1
14 {} {0.246022636495 0.504203242957 0.703396925313} Si3 6 1
14 {} {0.574549211398 0.665006582978 0.400207826365} Si4 7 1
1 {} {0.342792801027 0.103082904626 0.646877114291} H1 8 1
1 {} {0.217042437628 0.215327866724 0.467743424359} H2 9 1
1 {} {0.646850532538 0.291494562733 0.320975109621} H3 10 1
1 {} {0.697878279877 0.344048223671 0.552181595389} H4 11 1
1 {} {0.104815147683 0.514588388968 0.752644298458} H5 12 1
1 {} {0.344857787214 0.55838754332 0.801696926975} H6 13 1
1 {} {0.446456237506 0.73449560969 0.42906242494} H7 14 1
1 {} {0.614633508745 0.691258850032 0.258731861944} H8 15 1
1 {} {0.684559092637 0.7153475099 0.488177907904} H10 16 1
8 {} {0.257290214371 0.581829707626 0.557620712766} O 17 1
1 {} {0.206506362307 0.664051223856 0.546442460857} 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