./iterations/neb0_image02_iter253.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.457981082913 0.265472283867 0.489917516015} O1 1 1
14 {} {0.326724346666 0.239925030745 0.58455160844} Si1 2 1
14 {} {0.583627763222 0.349407664905 0.427813412536} Si2 3 1
8 {} {0.531955931273 0.492451555257 0.365921128001} O2 4 1
8 {} {0.311560980244 0.355605089798 0.700239092801} O3 5 1
14 {} {0.243588242402 0.502422822325 0.732295566336} Si3 6 1
14 {} {0.561706962676 0.654267081048 0.356493599811} Si4 7 1
1 {} {0.344992107515 0.110104838534 0.654134920406} H1 8 1
1 {} {0.205547593575 0.239181078585 0.497825987799} H2 9 1
1 {} {0.641728145665 0.26832031412 0.317793043315} H3 10 1
1 {} {0.682185900548 0.377297256075 0.536063108572} H4 11 1
1 {} {0.0970969079091 0.486403963774 0.748669691945} H5 12 1
1 {} {0.310990461483 0.554371207355 0.854409567104} H6 13 1
1 {} {0.436686158891 0.721019099131 0.310637234869} H7 14 1
1 {} {0.67383543951 0.681260233509 0.261867444933} H8 15 1
1 {} {0.601182348669 0.708056723122 0.490986144856} H10 16 1
8 {} {0.258279115611 0.609014575939 0.606586693737} O 17 1
1 {} {0.340416830784 0.657937316338 0.594852142936} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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