./iterations/neb0_image04_iter220.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 {} {0.46538343625 0.257267276623 0.488793655623} O1 1 1
14 {} {0.325838975467 0.22965565656 0.569708527104} Si1 2 1
14 {} {0.594363390978 0.347699217083 0.445327163581} Si2 3 1
8 {} {0.549385914684 0.502465151469 0.421086813268} O2 4 1
8 {} {0.290879876854 0.349057706879 0.676434122809} O3 5 1
14 {} {0.248971491719 0.505023603718 0.703638868428} Si3 6 1
14 {} {0.570051331204 0.663817076737 0.400061369139} Si4 7 1
1 {} {0.341806560923 0.104135869951 0.648157215932} H1 8 1
1 {} {0.21636221668 0.216476893745 0.468881789392} H2 9 1
1 {} {0.647332558618 0.29011657949 0.320172949985} H3 10 1
1 {} {0.696450445614 0.344244630666 0.55236375221} H4 11 1
1 {} {0.106962543495 0.515234527188 0.749270103985} H5 12 1
1 {} {0.343674812856 0.557739864406 0.805665900958} H6 13 1
1 {} {0.441848145414 0.734155459354 0.426464370958} H7 14 1
1 {} {0.612165774487 0.691393817631 0.259317704059} H8 15 1
1 {} {0.676877033637 0.71385434301 0.491824200603} H10 16 1
8 {} {0.266004640427 0.584611347954 0.559979132545} O 17 1
1 {} {0.21572685165 0.665568828829 0.543910521207} 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