./iterations/neb0_image06_iter243.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 {} {0.474552052998 0.233580225843 0.49206111511} O1 1 1
14 {} {0.327586632066 0.217295925017 0.564709010049} Si1 2 1
14 {} {0.607065120816 0.325091224371 0.463468016296} Si2 3 1
8 {} {0.579501607506 0.484633738951 0.491402410592} O2 4 1
8 {} {0.28463733118 0.351783954052 0.647970487234} O3 5 1
14 {} {0.283375185646 0.514958049862 0.650046990278} Si3 6 1
14 {} {0.489324111072 0.615166504908 0.449677558864} Si4 7 1
1 {} {0.335858657553 0.10838971568 0.663451052354} H1 8 1
1 {} {0.228181523459 0.186739055382 0.459410036442} H2 9 1
1 {} {0.64865085573 0.312327936727 0.320685412938} H3 10 1
1 {} {0.714043476103 0.285549051502 0.55903065985} H4 11 1
1 {} {0.146115581865 0.547144982048 0.70205391253} H5 12 1
1 {} {0.384368089654 0.57361270468 0.741840072022} H6 13 1
1 {} {0.389037027458 0.810050145106 0.524441273803} H7 14 1
1 {} {0.474030442402 0.637353878033 0.303432478879} H8 15 1
1 {} {0.591917984193 0.718021485635 0.491000669586} H10 16 1
8 {} {0.328633007882 0.577854826875 0.503041758494} O 17 1
1 {} {0.323207274775 0.772964576756 0.503335277251} 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