iterations/neb0_image07_iter184.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 {} {0.471976644044 0.238642969831 0.494610042228} O1 1 1
14 {} {0.33254934921 0.221253018075 0.579291133542} Si1 2 1
14 {} {0.615675321462 0.303232707747 0.451087290028} Si2 3 1
8 {} {0.598740929345 0.463822163491 0.419826424837} O2 4 1
8 {} {0.304851572708 0.348180847476 0.681150894774} O3 5 1
14 {} {0.291044408787 0.510372733688 0.654520530181} Si3 6 1
14 {} {0.496036942847 0.590934109159 0.436949050196} Si4 7 1
1 {} {0.345233548315 0.100101409944 0.663399595845} H1 8 1
1 {} {0.221776488587 0.212250758692 0.48019058258} H2 9 1
1 {} {0.664072714211 0.235895237471 0.327668777983} H3 10 1
1 {} {0.712331769964 0.284956927422 0.562718883423} H4 11 1
1 {} {0.147644599758 0.548958736469 0.655865681904} H5 12 1
1 {} {0.368559442321 0.583382719936 0.758576276024} H6 13 1
1 {} {0.346218262414 0.904226400527 0.496922297469} H7 14 1
1 {} {0.463350874795 0.645037754807 0.303192574322} H8 15 1
1 {} {0.559525924984 0.691542488846 0.525769785374} H10 16 1
8 {} {0.353269210279 0.544132710157 0.505816392091} O 17 1
1 {} {0.317227963626 0.84559412278 0.533501609182} 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
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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