./iterations/neb0_image05_iter154.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474579188123 0.229508602059 0.483342778375} O1 1 1
14 {} {0.3307094132 0.227774360571 0.567010879604} Si1 2 1
14 {} {0.595458631756 0.339941290764 0.457206074451} Si2 3 1
8 {} {0.533827508188 0.49247760595 0.47192292565} O2 4 1
8 {} {0.304850833748 0.363607418807 0.654685307629} O3 5 1
14 {} {0.262049233499 0.521335374973 0.667916076051} Si3 6 1
14 {} {0.543987693369 0.654436262035 0.436265488318} Si4 7 1
1 {} {0.335171329254 0.112841957 0.663198884874} H1 8 1
1 {} {0.223991399815 0.205867387152 0.463999883259} H2 9 1
1 {} {0.650039504843 0.312236206887 0.319395355357} H3 10 1
1 {} {0.701110430316 0.318035163097 0.562273293023} H4 11 1
1 {} {0.129702395897 0.530261520717 0.737022163198} H5 12 1
1 {} {0.369755352744 0.587687587597 0.748620977908} H6 13 1
1 {} {0.445126208483 0.748253571186 0.502873095179} H7 14 1
1 {} {0.516239009708 0.660389419822 0.288247473842} H8 15 1
1 {} {0.674479617505 0.705717425485 0.485081003978} H10 16 1
8 {} {0.248712254495 0.583934206653 0.513931717112} O 17 1
1 {} {0.270296015196 0.678212563 0.508064727892} 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