./iterations/neb0_image08_iter148.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47096985695 0.22755033694 0.493886451396} O1 1 1
14 {} {0.330577188106 0.22060736751 0.577003368465} Si1 2 1
14 {} {0.609699034848 0.302366683995 0.448817764706} Si2 3 1
8 {} {0.584631487048 0.45974204453 0.408496237652} O2 4 1
8 {} {0.319511115076 0.349126998498 0.679604128594} O3 5 1
14 {} {0.301125028567 0.512922313742 0.673914322061} Si3 6 1
14 {} {0.511007809407 0.600779707664 0.451883903806} Si4 7 1
1 {} {0.328650709771 0.0951116441613 0.657165335457} H1 8 1
1 {} {0.217582033997 0.223234740463 0.479535130083} H2 9 1
1 {} {0.662407151979 0.229889909658 0.331048783638} H3 10 1
1 {} {0.705846388804 0.29537449112 0.561788688414} H4 11 1
1 {} {0.158531957157 0.547621241583 0.659040359242} H5 12 1
1 {} {0.363367883051 0.567735578045 0.795712520306} H6 13 1
1 {} {0.322573403838 0.8864625794 0.456068790753} H7 14 1
1 {} {0.464456419236 0.672187162256 0.329260634504} H8 15 1
1 {} {0.606786820901 0.681659762206 0.530948885764} H10 16 1
8 {} {0.377099316588 0.573672966388 0.541624211403} O 17 1
1 {} {0.275262623884 0.826472364483 0.455258306192} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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