iterations/neb0_image03_iter279.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457353829241 0.264280726782 0.484274650415} O1 1 1
14 {} {0.324371895498 0.241052975899 0.576729441166} Si1 2 1
14 {} {0.588123555076 0.347238566689 0.431198760096} Si2 3 1
8 {} {0.542513951431 0.492912577227 0.371172681818} O2 4 1
8 {} {0.304120140722 0.360652887915 0.685875719553} O3 5 1
14 {} {0.250894710417 0.508574716267 0.734119732356} Si3 6 1
14 {} {0.565626138725 0.656232706544 0.368507093762} Si4 7 1
1 {} {0.341861609774 0.113605008128 0.650275928775} H1 8 1
1 {} {0.207064011406 0.236756858963 0.485466223263} H2 9 1
1 {} {0.649029757249 0.269539039852 0.320145099455} H3 10 1
1 {} {0.683642320061 0.366761671987 0.544267672702} H4 11 1
1 {} {0.103163096349 0.500099130904 0.750759167367} H5 12 1
1 {} {0.318087314024 0.545001726765 0.860582529491} H6 13 1
1 {} {0.431408872371 0.718550497754 0.354030349229} H7 14 1
1 {} {0.650491677012 0.693543702892 0.250500558301} H8 15 1
1 {} {0.630272506804 0.701889035321 0.495481865553} H10 16 1
8 {} {0.297443622577 0.62767118173 0.629405945477} O 17 1
1 {} {0.264617090304 0.628155003987 0.538264163743} 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