./iterations/neb0_image06_iter298.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.461124040093 0.280585496489 0.490409718978} O1 1 1
14 {} {0.318094784841 0.23149486103 0.553524517773} Si1 2 1
14 {} {0.608064452913 0.354718968041 0.479921645048} Si2 3 1
8 {} {0.593178008367 0.499489402179 0.556202708717} O2 4 1
8 {} {0.228684688829 0.351515470457 0.625462235808} O3 5 1
14 {} {0.265826529979 0.507124212858 0.666845040285} Si3 6 1
14 {} {0.497399715894 0.608941480104 0.475749456019} Si4 7 1
1 {} {0.346536832112 0.136613968538 0.663114957982} H1 8 1
1 {} {0.24042436119 0.171743169039 0.441318245365} H2 9 1
1 {} {0.633171302115 0.387215582625 0.336556194796} H3 10 1
1 {} {0.71489027673 0.273138146634 0.542477280612} H4 11 1
1 {} {0.141978812136 0.578392481908 0.717394012124} H5 12 1
1 {} {0.375258643049 0.518310632573 0.766721359965} H6 13 1
1 {} {0.418346621263 0.766658728948 0.454042997394} H7 14 1
1 {} {0.475250257994 0.584698878236 0.333428543181} H8 15 1
1 {} {0.602069838804 0.72038352529 0.469049533216} H10 16 1
8 {} {0.335711905026 0.576290980166 0.534354954353} O 17 1
1 {} {0.354075129886 0.725202340615 0.424485107925} 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