./iterations/neb0_image02_iter46.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 {} {0.467526716819 0.236737733376 0.475333065646} O1 1 1
14 {} {0.329270740912 0.245037388218 0.5627917621} Si1 2 1
14 {} {0.595354234929 0.330756234401 0.432251194412} Si2 3 1
8 {} {0.543897580228 0.474780238087 0.374262493814} O2 4 1
8 {} {0.334535352163 0.376830146313 0.659835056745} O3 5 1
14 {} {0.268011377165 0.517307382268 0.715215600313} Si3 6 1
14 {} {0.529964594097 0.638888879676 0.380007577915} Si4 7 1
1 {} {0.322736331723 0.123232359308 0.647107621694} H1 8 1
1 {} {0.213803594555 0.252788010997 0.469508002064} H2 9 1
1 {} {0.667298104641 0.258428590685 0.32444578465} H3 10 1
1 {} {0.684015164337 0.352641537755 0.5505132221} H4 11 1
1 {} {0.122098028067 0.498961473856 0.737278604873} H5 12 1
1 {} {0.340877624958 0.551326776553 0.840661736429} H6 13 1
1 {} {0.386380159883 0.676832888949 0.3584130078} H7 14 1
1 {} {0.61297199235 0.699864715109 0.272554276684} H8 15 1
1 {} {0.572551624576 0.689647301183 0.513893950927} H10 16 1
8 {} {0.281268691688 0.635054593838 0.601971596869} O 17 1
1 {} {0.337524236409 0.713401702922 0.615013431834} 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