./iterations/neb0_image05_iter15.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469406733436 0.227652803721 0.48294552985} O1 1 1
14 {} {0.331433821634 0.231632279215 0.572613860514} Si1 2 1
14 {} {0.602654337881 0.312375191579 0.438981240355} Si2 3 1
8 {} {0.555409798081 0.464882613979 0.384827806082} O2 4 1
8 {} {0.332310198205 0.365459952738 0.667587286679} O3 5 1
14 {} {0.279818701905 0.523460916838 0.696263653144} Si3 6 1
14 {} {0.51037944017 0.625589156895 0.414493685888} Si4 7 1
1 {} {0.330580872833 0.113246578041 0.663055543221} H1 8 1
1 {} {0.214857905865 0.233939954148 0.478763457028} H2 9 1
1 {} {0.667056309438 0.237598057656 0.326922349309} H3 10 1
1 {} {0.695313901802 0.327988792689 0.555405824944} H4 11 1
1 {} {0.127172305487 0.510327708971 0.70749780045} H5 12 1
1 {} {0.343329408134 0.552732237289 0.83226492892} H6 13 1
1 {} {0.354897013279 0.787296289506 0.393984922434} H7 14 1
1 {} {0.551068170009 0.690727813262 0.284175297113} H8 15 1
1 {} {0.588257293629 0.678838848279 0.529872094117} H10 16 1
8 {} {0.330661936321 0.637209355654 0.570678456235} O 17 1
1 {} {0.325477996154 0.751559405794 0.530724260341} 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