iterations/neb0_image07_iter48.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	{{}}
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@end
@data
8 {} {0.469964065109 0.219147987487 0.482461515282} O1 1 1
14 {} {0.332077104719 0.225462289908 0.571395712998} Si1 2 1
14 {} {0.598704431565 0.313013440754 0.442630165481} Si2 3 1
8 {} {0.548525932147 0.462942717395 0.400664812765} O2 4 1
8 {} {0.333921974344 0.354788712943 0.67204291067} O3 5 1
14 {} {0.296908695095 0.515502071173 0.680826201101} Si3 6 1
14 {} {0.501434086965 0.610520598812 0.45450654797} Si4 7 1
1 {} {0.328816477887 0.107588122026 0.659732567024} H1 8 1
1 {} {0.215224423652 0.234011593033 0.479537839926} H2 9 1
1 {} {0.663382433006 0.250482840754 0.325105388371} H3 10 1
1 {} {0.693714103329 0.329800026796 0.556041341001} H4 11 1
1 {} {0.148441295068 0.534835666407 0.679505362045} H5 12 1
1 {} {0.351208114392 0.570270355083 0.80842306296} H6 13 1
1 {} {0.344568954168 0.809667749759 0.41753606025} H7 14 1
1 {} {0.488318283821 0.683675079511 0.325324387548} H8 15 1
1 {} {0.601016391935 0.68092776149 0.542028330214} H10 16 1
8 {} {0.365062753195 0.590404476683 0.549215760305} O 17 1
1 {} {0.328796632317 0.779476470711 0.484080010881} 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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2 0 0 0
14 6 0 0
16 5 0 2
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4 1 0 0
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end