iterations/neb0_image04_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469865580787 0.227692567571 0.481683626006} O1 1 1
14 {} {0.331468474377 0.236757062576 0.572531683774} Si1 2 1
14 {} {0.600447847255 0.319467894976 0.436878493054} Si2 3 1
8 {} {0.548750907133 0.471588701808 0.385413831941} O2 4 1
8 {} {0.331618096571 0.372940139545 0.663658587915} O3 5 1
14 {} {0.279083030831 0.528881340305 0.696256502232} Si3 6 1
14 {} {0.509215496217 0.640439321601 0.400648276715} Si4 7 1
1 {} {0.329133304993 0.114463558496 0.661087594596} H1 8 1
1 {} {0.214269477175 0.236364964154 0.477118689942} H2 9 1
1 {} {0.667263059797 0.239495956833 0.327505713325} H3 10 1
1 {} {0.69397090145 0.330015486744 0.554952211386} H4 11 1
1 {} {0.128054885009 0.510082389294 0.71029006121} H5 12 1
1 {} {0.342901064644 0.552340100622 0.833055212456} H6 13 1
1 {} {0.373014506796 0.756468503067 0.382684091895} H7 14 1
1 {} {0.567279001993 0.691840082966 0.277112624097} H8 15 1
1 {} {0.583398789766 0.678116625978 0.526816840624} H10 16 1
8 {} {0.322715170238 0.633297830549 0.584574108244} O 17 1
1 {} {0.317636539801 0.732265436915 0.558789855971} 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