./iterations/neb0_image01_iter162.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 {} {0.465310649438 0.252850843157 0.476564735242} O1 1 1
14 {} {0.32731392476 0.25100321884 0.565820012193} Si1 2 1
14 {} {0.597567086901 0.335302268419 0.427528066279} Si2 3 1
8 {} {0.556210364176 0.476674971049 0.354147785099} O2 4 1
8 {} {0.325181407151 0.377675783871 0.670359345654} O3 5 1
14 {} {0.257048695262 0.513593706528 0.731818211322} Si3 6 1
14 {} {0.537247096962 0.639399443211 0.363786751153} Si4 7 1
1 {} {0.325635983446 0.124771833118 0.64384615969} H1 8 1
1 {} {0.211195913991 0.259861690627 0.473556397875} H2 9 1
1 {} {0.667350750134 0.25165409297 0.327092571699} H3 10 1
1 {} {0.68396393218 0.366208154103 0.544798391407} H4 11 1
1 {} {0.111340672683 0.493407077705 0.75049439902} H5 12 1
1 {} {0.328353284947 0.540286018731 0.859670737295} H6 13 1
1 {} {0.398842529057 0.674825618716 0.323081971} H7 14 1
1 {} {0.636764830293 0.707171589129 0.27595309657} H8 15 1
1 {} {0.558525753727 0.686240150922 0.504946368025} H10 16 1
8 {} {0.267136084008 0.642479404531 0.628612900254} O 17 1
1 {} {0.35509700647 0.679111999723 0.608980018349} 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