./iterations/neb0_image01_iter104.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 {} {0.467238370881 0.242924549323 0.47339777777} O1 1 1
14 {} {0.328024377618 0.249525202313 0.560428716283} Si1 2 1
14 {} {0.598272698869 0.332118537584 0.430215933757} Si2 3 1
8 {} {0.55257546714 0.475636541326 0.365245979345} O2 4 1
8 {} {0.331488791483 0.379907004882 0.660150973251} O3 5 1
14 {} {0.262479631368 0.515088194623 0.724394683123} Si3 6 1
14 {} {0.531448013083 0.638665452467 0.372023992861} Si4 7 1
1 {} {0.320246292664 0.126015193596 0.642917492431} H1 8 1
1 {} {0.213380429942 0.259359934972 0.465723125759} H2 9 1
1 {} {0.670870989373 0.255447166791 0.325899917055} H3 10 1
1 {} {0.683462765832 0.356784588286 0.550296604855} H4 11 1
1 {} {0.117736758371 0.489933653789 0.747896917583} H5 12 1
1 {} {0.338157391078 0.545636849263 0.849118184272} H6 13 1
1 {} {0.389756382214 0.672159352829 0.341629767767} H7 14 1
1 {} {0.621740418053 0.704191370255 0.273004979859} H8 15 1
1 {} {0.564331741817 0.689397964692 0.509485518849} H10 16 1
8 {} {0.268187984932 0.644043024617 0.621491265903} O 17 1
1 {} {0.350687630785 0.695683370708 0.61773616751} 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