./iterations/neb0_image03_iter40.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 {} {0.468588991201 0.232991046593 0.480210776861} O1 1 1
14 {} {0.331778605303 0.240000709768 0.567872610724} Si1 2 1
14 {} {0.591963299439 0.330643369755 0.434924455608} Si2 3 1
8 {} {0.531335693078 0.474075766002 0.386577890062} O2 4 1
8 {} {0.333253739026 0.375326327546 0.659477537368} O3 5 1
14 {} {0.274318124066 0.519786145593 0.706064931926} Si3 6 1
14 {} {0.526593723554 0.641016216626 0.388988515772} Si4 7 1
1 {} {0.327811222977 0.121627485784 0.656625712037} H1 8 1
1 {} {0.214917831546 0.240665509116 0.476847015143} H2 9 1
1 {} {0.660690061845 0.259148247929 0.326547420645} H3 10 1
1 {} {0.685713719198 0.344130923888 0.548042467815} H4 11 1
1 {} {0.125547161655 0.514083988384 0.719360961978} H5 12 1
1 {} {0.339985069985 0.558059417205 0.834870742235} H6 13 1
1 {} {0.38906451341 0.696408710844 0.3799316371} H7 14 1
1 {} {0.598526866212 0.695231707429 0.267921031418} H8 15 1
1 {} {0.582235787631 0.687572513204 0.522478478668} H10 16 1
8 {} {0.313864921073 0.622846470964 0.583593067127} O 17 1
1 {} {0.313896786176 0.718903411085 0.590722731803} 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