./iterations/neb0_image06_iter236.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474555977608 0.231142521775 0.490178678789} O1 1 1
14 {} {0.329417451441 0.217368197088 0.564902577443} Si1 2 1
14 {} {0.607989478747 0.322338959794 0.461879660931} Si2 3 1
8 {} {0.578152653769 0.481075909166 0.484444697854} O2 4 1
8 {} {0.289556749291 0.351293994302 0.650518369622} O3 5 1
14 {} {0.283853263166 0.515111121749 0.650451380695} Si3 6 1
14 {} {0.489998011419 0.613924231313 0.448325024049} Si4 7 1
1 {} {0.334731059692 0.107361411813 0.662399130354} H1 8 1
1 {} {0.226912017547 0.19038764637 0.461669814831} H2 9 1
1 {} {0.649751493684 0.305493072269 0.321228895697} H3 10 1
1 {} {0.712951938489 0.289350450691 0.559847239528} H4 11 1
1 {} {0.14585513807 0.545690202281 0.699713772629} H5 12 1
1 {} {0.383975848444 0.57459238523 0.743119632423} H6 13 1
1 {} {0.388522193978 0.811765900974 0.524733091724} H7 14 1
1 {} {0.472277965988 0.644099266628 0.304448526414} H8 15 1
1 {} {0.590423728547 0.716863875204 0.494842686357} H10 16 1
8 {} {0.329364781106 0.577801778018 0.502563639254} O 17 1
1 {} {0.321796201392 0.776857028837 0.505791342608} 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