iterations/neb0_image07_iter275.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481511171839 0.204660128763 0.503028549872} O1 1 1
14 {} {0.339148312062 0.209774373545 0.586074331227} Si1 2 1
14 {} {0.611682096819 0.29257875235 0.454968845577} Si2 3 1
8 {} {0.574996865731 0.4505452587 0.432026517433} O2 4 1
8 {} {0.315326453443 0.356200526982 0.658860890109} O3 5 1
14 {} {0.289479090997 0.517653961957 0.646996860459} Si3 6 1
14 {} {0.496686588454 0.594201885704 0.431420101721} Si4 7 1
1 {} {0.341383080993 0.109428341413 0.696007850505} H1 8 1
1 {} {0.230813388919 0.184401489321 0.487352919373} H2 9 1
1 {} {0.66215846648 0.23976265752 0.326223387218} H3 10 1
1 {} {0.713477485152 0.281936864733 0.561749558667} H4 11 1
1 {} {0.142477082873 0.540646273963 0.649925409066} H5 12 1
1 {} {0.3591883084 0.585362212432 0.76014111245} H6 13 1
1 {} {0.338196228463 0.91871599409 0.490758765563} H7 14 1
1 {} {0.470790090063 0.636634328695 0.291640917291} H8 15 1
1 {} {0.583968895849 0.692950529706 0.50130700753} H10 16 1
8 {} {0.350242897939 0.579946622606 0.506928182131} O 17 1
1 {} {0.308559267253 0.877117671069 0.545646483628} 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