iterations/neb0_image03_iter134.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.465060594509 0.244076926868 0.487593161779} O1 1 1
14 {} {0.327749009819 0.2350873054 0.57708537981} Si1 2 1
14 {} {0.585789209693 0.341287448708 0.432860514994} Si2 3 1
8 {} {0.52635548961 0.484640849683 0.383421635669} O2 4 1
8 {} {0.318638895642 0.357930291273 0.685575061752} O3 5 1
14 {} {0.268607414894 0.510780359638 0.717169801965} Si3 6 1
14 {} {0.541989502464 0.649022701133 0.377248721799} Si4 7 1
1 {} {0.331909146124 0.108023381033 0.653755613478} H1 8 1
1 {} {0.209833072751 0.239711998477 0.486555054563} H2 9 1
1 {} {0.648552182944 0.270590613832 0.31758419782} H3 10 1
1 {} {0.682591981746 0.365081110067 0.544028125417} H4 11 1
1 {} {0.119489290964 0.51601821929 0.723655073238} H5 12 1
1 {} {0.329582888199 0.551097773387 0.846968218225} H6 13 1
1 {} {0.41085614069 0.711510265771 0.347489114729} H7 14 1
1 {} {0.63681294225 0.680684227665 0.266621955135} H8 15 1
1 {} {0.598389828424 0.703551638867 0.504180040404} H10 16 1
8 {} {0.323292144088 0.607263031369 0.593661103083} O 17 1
1 {} {0.284586414094 0.696159863881 0.585605133901} 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