./iterations/neb0_image07_iter146.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 {} {0.4715210005 0.238300438132 0.492827621124} O1 1 1
14 {} {0.332127232289 0.223022173217 0.577131439343} Si1 2 1
14 {} {0.613643065234 0.307287396957 0.450104080905} Si2 3 1
8 {} {0.597143917237 0.46827096554 0.419145284803} O2 4 1
8 {} {0.312634962693 0.351142908516 0.678899326976} O3 5 1
14 {} {0.292195410486 0.513046119892 0.660658961341} Si3 6 1
14 {} {0.49776887067 0.598972431667 0.442449150534} Si4 7 1
1 {} {0.336893952181 0.0988814346664 0.660333450165} H1 8 1
1 {} {0.218187173499 0.215757931469 0.480118289389} H2 9 1
1 {} {0.662301408791 0.234277673952 0.331450535608} H3 10 1
1 {} {0.709042741385 0.288994945795 0.561160068875} H4 11 1
1 {} {0.149088142765 0.546406487099 0.658086850409} H5 12 1
1 {} {0.369054531359 0.58546389035 0.763422276747} H6 13 1
1 {} {0.349494110615 0.874088282414 0.47692343224} H7 14 1
1 {} {0.448198002147 0.665505150431 0.319748289892} H8 15 1
1 {} {0.576526366024 0.691590856412 0.52899212926} H10 16 1
8 {} {0.355570267519 0.554407122421 0.51383476036} O 17 1
1 {} {0.318694864266 0.817101630704 0.515771925485} 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