./iterations/neb0_image07_iter132.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 {} {0.469660858429 0.227913500763 0.491733642752} O1 1 1
14 {} {0.32983008689 0.222116902297 0.578060878044} Si1 2 1
14 {} {0.606055155107 0.308855908169 0.448178610331} Si2 3 1
8 {} {0.576798786021 0.466422412998 0.409917523628} O2 4 1
8 {} {0.320440549637 0.352087480575 0.679450561449} O3 5 1
14 {} {0.297144894001 0.514804558387 0.667753716447} Si3 6 1
14 {} {0.502690426426 0.607725793856 0.448256571544} Si4 7 1
1 {} {0.330828149744 0.0993848602407 0.660576690973} H1 8 1
1 {} {0.215057496026 0.222433072339 0.483488927726} H2 9 1
1 {} {0.658817779527 0.240745500746 0.326075504519} H3 10 1
1 {} {0.704389755956 0.309001494658 0.561682722803} H4 11 1
1 {} {0.150822625635 0.543014167683 0.661818307699} H5 12 1
1 {} {0.361574267516 0.577926063244 0.786810620195} H6 13 1
1 {} {0.348280246736 0.843453974464 0.447195159973} H7 14 1
1 {} {0.466807815862 0.675995698474 0.322685381788} H8 15 1
1 {} {0.591925112093 0.691905821364 0.53318595357} H10 16 1
8 {} {0.363609069049 0.573808063982 0.52992863257} O 17 1
1 {} {0.315353006879 0.79492261947 0.494258519384} 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
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7 1 0 0
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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
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3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
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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