iterations/neb0_image08_iter248.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472729326596 0.223502772103 0.493550977156} O1 1 1
14 {} {0.331586463219 0.218077476871 0.576888248796} Si1 2 1
14 {} {0.613585052839 0.295592018929 0.452406646215} Si2 3 1
8 {} {0.591038304983 0.455338648788 0.421974484293} O2 4 1
8 {} {0.314593553582 0.350146164466 0.673533085513} O3 5 1
14 {} {0.300031102057 0.514042736655 0.666450317544} Si3 6 1
14 {} {0.510590772099 0.595924919362 0.446991585593} Si4 7 1
1 {} {0.332782491136 0.0984883980165 0.664314309046} H1 8 1
1 {} {0.22025147153 0.212520917392 0.478472473316} H2 9 1
1 {} {0.662990087362 0.230879602871 0.328603388872} H3 10 1
1 {} {0.710562223242 0.281925013459 0.564196596729} H4 11 1
1 {} {0.156977227514 0.552683394642 0.658608661329} H5 12 1
1 {} {0.366413281056 0.569044670946 0.787707488309} H6 13 1
1 {} {0.311800806381 0.912956996774 0.474020826906} H7 14 1
1 {} {0.472731863721 0.65279559433 0.314891393467} H8 15 1
1 {} {0.597688487723 0.687347925116 0.525880170938} H10 16 1
8 {} {0.371124543674 0.571795023258 0.530194090389} O 17 1
1 {} {0.272609183041 0.849455607919 0.472372975943} 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
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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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11 5 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 12 5 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end