./iterations/neb0_image07_iter219.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474721508165 0.2279534174 0.496368513608} O1 1 1
14 {} {0.334844254198 0.215726116124 0.581406111169} Si1 2 1
14 {} {0.615974009039 0.299366875986 0.453149840357} Si2 3 1
8 {} {0.597207642201 0.460530798005 0.4252401349} O2 4 1
8 {} {0.308770897326 0.348402234765 0.675898776195} O3 5 1
14 {} {0.291050453755 0.510804893699 0.649135399726} Si3 6 1
14 {} {0.496266685201 0.589699981143 0.43305183094} Si4 7 1
1 {} {0.343670956601 0.0991179816205 0.672247358499} H1 8 1
1 {} {0.222785253084 0.202561235865 0.484758444693} H2 9 1
1 {} {0.659963551818 0.233084272154 0.327515774357} H3 10 1
1 {} {0.716467421864 0.286255623214 0.56293099421} H4 11 1
1 {} {0.147310541737 0.550073526964 0.648170296998} H5 12 1
1 {} {0.36747388988 0.580137284902 0.756871229886} H6 13 1
1 {} {0.341771271753 0.923529644383 0.504314432051} H7 14 1
1 {} {0.469001546631 0.63512565016 0.294571710098} H8 15 1
1 {} {0.558195224205 0.693352559994 0.519253673255} H10 16 1
8 {} {0.351137082668 0.549725818593 0.5010488175} O 17 1
1 {} {0.313473710936 0.867069903787 0.545124435409} 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