iterations/neb0_image07_iter199.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 {} {0.474119549286 0.231766053936 0.495821215018} O1 1 1
14 {} {0.333315649161 0.217770135501 0.581361768562} Si1 2 1
14 {} {0.615497385689 0.301587713983 0.45169724007} Si2 3 1
8 {} {0.598417388192 0.462578186837 0.422474667216} O2 4 1
8 {} {0.306802907098 0.348898142024 0.678187116966} O3 5 1
14 {} {0.290587408135 0.510204433966 0.653242367293} Si3 6 1
14 {} {0.495650357714 0.590157756891 0.434965428382} Si4 7 1
1 {} {0.344586220265 0.0980554854213 0.668291468109} H1 8 1
1 {} {0.221413705881 0.207881853111 0.482754799755} H2 9 1
1 {} {0.661302424909 0.235180849139 0.326360050236} H3 10 1
1 {} {0.713665506377 0.287886360468 0.562803751921} H4 11 1
1 {} {0.147623110587 0.55038578725 0.650790479179} H5 12 1
1 {} {0.368059079111 0.580116605714 0.759457792922} H6 13 1
1 {} {0.344216395378 0.915326819358 0.501794013616} H7 14 1
1 {} {0.469974624753 0.637855433985 0.295808660064} H8 15 1
1 {} {0.558547880868 0.692817918318 0.523202940876} H10 16 1
8 {} {0.352401163916 0.546884905872 0.503161276365} O 17 1
1 {} {0.313905175125 0.857163376708 0.538882764761} 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