./iterations/neb0_image09_iter267.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472715814786 0.213051037252 0.49471233288} O1 1 1
14 {} {0.333210382429 0.214757732537 0.581953100858} Si1 2 1
14 {} {0.606741133592 0.294244097025 0.446536769985} Si2 3 1
8 {} {0.570610253793 0.450330955692 0.408551939931} O2 4 1
8 {} {0.322816092477 0.35070633238 0.673393158269} O3 5 1
14 {} {0.300694733118 0.514088122832 0.671273448656} Si3 6 1
14 {} {0.512201415537 0.596942457665 0.452445874443} Si4 7 1
1 {} {0.334162862888 0.0981821995093 0.674022322213} H1 8 1
1 {} {0.219044499477 0.209658596803 0.486302855871} H2 9 1
1 {} {0.658714337967 0.228462685446 0.323925780871} H3 10 1
1 {} {0.706738916384 0.292248801052 0.557150626173} H4 11 1
1 {} {0.155662161233 0.545005980936 0.659735008364} H5 12 1
1 {} {0.359837153893 0.5671453909 0.797124810194} H6 13 1
1 {} {0.313791740695 0.917900175419 0.435864531609} H7 14 1
1 {} {0.476716723233 0.671590301778 0.329136389541} H8 15 1
1 {} {0.615082313131 0.667859161648 0.533467661475} H10 16 1
8 {} {0.374351675148 0.580893766199 0.541219572149} O 17 1
1 {} {0.276993969039 0.859450118625 0.464241474815} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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