./iterations/neb0_image09_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47262092148 0.213226553943 0.494646076672} O1 1 1
14 {} {0.333168723987 0.214769193671 0.581904207292} Si1 2 1
14 {} {0.606714427284 0.294305009671 0.446455939902} Si2 3 1
8 {} {0.570579224401 0.450391593986 0.408293564415} O2 4 1
8 {} {0.322766889377 0.350562800483 0.673503663691} O3 5 1
14 {} {0.300609499232 0.513901921372 0.671491243335} Si3 6 1
14 {} {0.512156782742 0.596931369219 0.452512801473} Si4 7 1
1 {} {0.33419989666 0.0981823042949 0.673826162845} H1 8 1
1 {} {0.219029538824 0.209814231514 0.486308487407} H2 9 1
1 {} {0.658740029509 0.228383760121 0.323885776054} H3 10 1
1 {} {0.706737131028 0.292718929221 0.557082888638} H4 11 1
1 {} {0.155634738096 0.544838369734 0.659875948831} H5 12 1
1 {} {0.359633894057 0.567064253277 0.797284114076} H6 13 1
1 {} {0.313849204774 0.917741469143 0.435716020706} H7 14 1
1 {} {0.476774336734 0.671620901687 0.329160723337} H8 15 1
1 {} {0.61512656808 0.667869469184 0.533472950788} H10 16 1
8 {} {0.374555107621 0.580673989977 0.541253359522} O 17 1
1 {} {0.277189260552 0.859521796074 0.464383729293} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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