./iterations/neb0_image01_iter48.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467453856003 0.240734158363 0.472462718538} O1 1 1
14 {} {0.328454176797 0.249072656797 0.558993959365} Si1 2 1
14 {} {0.59817512132 0.331340268463 0.431089435844} Si2 3 1
8 {} {0.551281213776 0.475255731312 0.368644005118} O2 4 1
8 {} {0.334110414556 0.379579513149 0.658059009662} O3 5 1
14 {} {0.265629924083 0.514925570653 0.722837441078} Si3 6 1
14 {} {0.530210759662 0.638509064711 0.374079419738} Si4 7 1
1 {} {0.319147749051 0.125258376023 0.640705314879} H1 8 1
1 {} {0.213772426721 0.260188086985 0.464799177338} H2 9 1
1 {} {0.671401745662 0.255762375775 0.326673451838} H3 10 1
1 {} {0.68316368775 0.354316706256 0.551313210939} H4 11 1
1 {} {0.120726173649 0.491958818089 0.745609340466} H5 12 1
1 {} {0.341341619041 0.542606342433 0.84793264942} H6 13 1
1 {} {0.387671397845 0.671146443751 0.345819901393} H7 14 1
1 {} {0.617681593548 0.703494059617 0.272505448986} H8 15 1
1 {} {0.564294966932 0.689943630319 0.510543517133} H10 16 1
8 {} {0.270182151497 0.643966235058 0.619921964472} O 17 1
1 {} {0.345387168679 0.704459913839 0.619068018851} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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