./iterations/neb0_image04_iter277.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468092172322 0.261448557885 0.491842701143} O1 1 1
14 {} {0.326082660424 0.23036327445 0.567027107392} Si1 2 1
14 {} {0.600261015497 0.347768062396 0.449663899124} Si2 3 1
8 {} {0.564044511048 0.506249064366 0.433693430276} O2 4 1
8 {} {0.279332781445 0.350927204635 0.666721920157} O3 5 1
14 {} {0.234094677228 0.503911811673 0.69872203227} Si3 6 1
14 {} {0.588997958162 0.665745882355 0.403577411341} Si4 7 1
1 {} {0.344204808796 0.109416778651 0.650165373437} H1 8 1
1 {} {0.223839497402 0.213079203276 0.462228259697} H2 9 1
1 {} {0.650079281031 0.296503525078 0.318432257571} H3 10 1
1 {} {0.702869352785 0.331615062967 0.556854657592} H4 11 1
1 {} {0.107351721267 0.501549532828 0.778241739325} H5 12 1
1 {} {0.341950307644 0.572707913446 0.77545691009} H6 13 1
1 {} {0.469087848329 0.741948524896 0.448122129073} H7 14 1
1 {} {0.608743241266 0.684240536208 0.256962095674} H8 15 1
1 {} {0.709535767814 0.713163413797 0.478167759957} H10 16 1
8 {} {0.214126808656 0.576260446123 0.551514822252} O 17 1
1 {} {0.177391515923 0.665618951678 0.543663822208} 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