./iterations/neb0_image07_iter232.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 {} {0.475476039486 0.224308955474 0.498059157877} O1 1 1
14 {} {0.335839252533 0.213982167176 0.582909905922} Si1 2 1
14 {} {0.616084492332 0.298025528265 0.454293019704} Si2 3 1
8 {} {0.594537803516 0.458077781173 0.42734828171} O2 4 1
8 {} {0.310563510991 0.349243044762 0.673525057295} O3 5 1
14 {} {0.291395825037 0.510831654336 0.647396891188} Si3 6 1
14 {} {0.496596531563 0.589887656903 0.431684087465} Si4 7 1
1 {} {0.342312209808 0.0994593877395 0.676328203608} H1 8 1
1 {} {0.223798791934 0.198338238807 0.48627771298} H2 9 1
1 {} {0.658693076715 0.233303458598 0.328111696381} H3 10 1
1 {} {0.717185209251 0.285396082472 0.562557696766} H4 11 1
1 {} {0.147357691682 0.549385732478 0.645985735474} H5 12 1
1 {} {0.366287032633 0.579072895672 0.75658286428} H6 13 1
1 {} {0.340617721307 0.92818035759 0.505645539157} H7 14 1
1 {} {0.470133818986 0.633781602069 0.292400050534} H8 15 1
1 {} {0.560892120137 0.694476837506 0.51544603745} H10 16 1
8 {} {0.351652876684 0.553486544287 0.499736982798} O 17 1
1 {} {0.31066187192 0.873279899775 0.546768828298} 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
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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