iterations/neb0_image07_iter229.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 {} {0.475074273876 0.226765210588 0.496565829175} O1 1 1
14 {} {0.335055609488 0.215288125465 0.581621626061} Si1 2 1
14 {} {0.615889943788 0.298917683314 0.453287293969} Si2 3 1
8 {} {0.596424638036 0.459920810662 0.425741287189} O2 4 1
8 {} {0.309442296164 0.348807000484 0.675108148978} O3 5 1
14 {} {0.291062829831 0.510731330786 0.648849919054} Si3 6 1
14 {} {0.496174488655 0.58965122268 0.432711962549} Si4 7 1
1 {} {0.343454386031 0.0992402653184 0.673159118047} H1 8 1
1 {} {0.22289967151 0.201601732959 0.485087834441} H2 9 1
1 {} {0.659664819 0.232986364853 0.327615460726} H3 10 1
1 {} {0.716577567583 0.286678842938 0.562700099589} H4 11 1
1 {} {0.147348910817 0.549876250491 0.647748156395} H5 12 1
1 {} {0.367080433018 0.579679852599 0.756983294111} H6 13 1
1 {} {0.341299597334 0.92477856755 0.504547987496} H7 14 1
1 {} {0.469734403737 0.634353993339 0.293847100167} H8 15 1
1 {} {0.558502446224 0.693611116392 0.518695845846} H10 16 1
8 {} {0.35112180562 0.550804983266 0.500583826353} O 17 1
1 {} {0.313277774175 0.868824466974 0.546202977906} 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