iterations/neb0_image07_iter271.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 {} {0.479932942043 0.208376686149 0.502992053304} O1 1 1
14 {} {0.338595439631 0.210511753915 0.585728173386} Si1 2 1
14 {} {0.612825885474 0.293821056146 0.455072189741} Si2 3 1
8 {} {0.579031494422 0.451273876946 0.430882877711} O2 4 1
8 {} {0.313915621001 0.354767615604 0.662683935403} O3 5 1
14 {} {0.289776382516 0.516121497236 0.64681067342} Si3 6 1
14 {} {0.49680298225 0.5929767006 0.430435475667} Si4 7 1
1 {} {0.341693828254 0.107007402072 0.693090439732} H1 8 1
1 {} {0.229620361845 0.186274260171 0.486645147323} H2 9 1
1 {} {0.662031346216 0.237987529705 0.326674410173} H3 10 1
1 {} {0.714774094567 0.280684783955 0.562157744936} H4 11 1
1 {} {0.143341335644 0.541571870305 0.648583051081} H5 12 1
1 {} {0.360872640535 0.584094240449 0.758804156605} H6 13 1
1 {} {0.338484365144 0.924033169932 0.495539332591} H7 14 1
1 {} {0.470823092014 0.63595751191 0.290985442809} H8 15 1
1 {} {0.579507341151 0.693804402843 0.50310658829} H10 16 1
8 {} {0.350409421964 0.574062584955 0.503760382714} O 17 1
1 {} {0.307647208275 0.879190913728 0.547105613739} 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