./iterations/neb0_image05_iter68.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468485956682 0.222461186355 0.483962046432} O1 1 1
14 {} {0.330989273886 0.227394976885 0.573803928514} Si1 2 1
14 {} {0.589316395677 0.327549443723 0.44310366584} Si2 3 1
8 {} {0.526555466593 0.476261519434 0.415197130742} O2 4 1
8 {} {0.32949922172 0.360260563599 0.672976021997} O3 5 1
14 {} {0.288505160545 0.517023546728 0.685950092017} Si3 6 1
14 {} {0.503412187325 0.642268128093 0.430591117284} Si4 7 1
1 {} {0.328624636185 0.11015707074 0.663469915315} H1 8 1
1 {} {0.214735663046 0.232832205691 0.48190415969} H2 9 1
1 {} {0.653815826702 0.274626640534 0.31880064789} H3 10 1
1 {} {0.687963087071 0.340225186902 0.555858926342} H4 11 1
1 {} {0.143151716775 0.538679996962 0.68078124462} H5 12 1
1 {} {0.347872261085 0.570732715724 0.809571549389} H6 13 1
1 {} {0.393027706551 0.764708017866 0.427275974241} H7 14 1
1 {} {0.532558448929 0.678961732995 0.288392472264} H8 15 1
1 {} {0.599651960024 0.696546282993 0.533157073433} H10 16 1
8 {} {0.346296632418 0.599289716918 0.552102902655} O 17 1
1 {} {0.325624502385 0.692539018374 0.514159112765} 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