iterations/neb0_image08_iter37.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470766321727 0.218199790833 0.488239309677} O1 1 1
14 {} {0.334130821677 0.222368687658 0.578998814209} Si1 2 1
14 {} {0.600987561888 0.305834940309 0.443177683905} Si2 3 1
8 {} {0.55281956919 0.45719239162 0.400424545664} O2 4 1
8 {} {0.331970028436 0.356317763293 0.671527914068} O3 5 1
14 {} {0.29680473634 0.517241825302 0.673115208492} Si3 6 1
14 {} {0.503601194401 0.604200338579 0.452524098166} Si4 7 1
1 {} {0.335243507849 0.106907780085 0.670845748931} H1 8 1
1 {} {0.217049304141 0.221847503969 0.487871621926} H2 9 1
1 {} {0.661771612934 0.238537948195 0.326814714478} H3 10 1
1 {} {0.69793589506 0.319104864441 0.554537489594} H4 11 1
1 {} {0.149129894219 0.533473824622 0.673185511244} H5 12 1
1 {} {0.347649200378 0.570497618611 0.802055395381} H6 13 1
1 {} {0.332390723358 0.836150236607 0.414363999259} H7 14 1
1 {} {0.487019547815 0.6794381908 0.323861807583} H8 15 1
1 {} {0.605623958563 0.673345450056 0.539106056176} H10 16 1
8 {} {0.365532755441 0.588296366762 0.541431400896} O 17 1
1 {} {0.319659496763 0.823562446324 0.488976688023} 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