./iterations/neb0_image09_iter130.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 {} {0.471788821685 0.214807893687 0.494085552765} O1 1 1
14 {} {0.334887457204 0.216134749666 0.58460608668} Si1 2 1
14 {} {0.603839456766 0.299281402554 0.444427084178} Si2 3 1
8 {} {0.56291737172 0.452183540281 0.400329678259} O2 4 1
8 {} {0.326441396541 0.352417513498 0.677102514898} O3 5 1
14 {} {0.297619373065 0.514161487714 0.671153112835} Si3 6 1
14 {} {0.508461499015 0.598718228935 0.451698260169} Si4 7 1
1 {} {0.338336088962 0.10001760951 0.676770333362} H1 8 1
1 {} {0.217706667732 0.211018414325 0.492811502433} H2 9 1
1 {} {0.658947364975 0.230417480944 0.324997284122} H3 10 1
1 {} {0.702670062645 0.307205625175 0.555981395091} H4 11 1
1 {} {0.151699230371 0.53908456809 0.657133854532} H5 12 1
1 {} {0.352149514231 0.573390140014 0.796234184661} H6 13 1
1 {} {0.322260179004 0.88674582446 0.416599016279} H7 14 1
1 {} {0.475350788173 0.677320141067 0.33042260296} H8 15 1
1 {} {0.61257654927 0.665063574191 0.535726737998} H10 16 1
8 {} {0.371115030133 0.581721998749 0.540396798259} O 17 1
1 {} {0.301319289316 0.852827781468 0.480581942059} 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