iterations/neb0_image07_iter15.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
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@end
@data
8 {} {0.46986587768 0.224276152529 0.486430371291} O1 1 1
14 {} {0.332630361696 0.22665024341 0.57709272697} Si1 2 1
14 {} {0.603494215641 0.307465647614 0.44062104367} Si2 3 1
8 {} {0.558456003797 0.460019542657 0.388877389759} O2 4 1
8 {} {0.330601107419 0.3588717462 0.672524253823} O3 5 1
14 {} {0.288414735531 0.52023819704 0.683608549989} Si3 6 1
14 {} {0.498570945008 0.608311910402 0.440788040027} Si4 7 1
1 {} {0.334141675447 0.110267917671 0.669137728078} H1 8 1
1 {} {0.215706778428 0.22624069958 0.483786428843} H2 9 1
1 {} {0.664845952121 0.234253084531 0.326500138084} H3 10 1
1 {} {0.697823911665 0.32180000449 0.555528817611} H4 11 1
1 {} {0.133684012859 0.517922948587 0.693783483014} H5 12 1
1 {} {0.343690719371 0.558703025735 0.821881162304} H6 13 1
1 {} {0.336198674925 0.81895084938 0.420305732334} H7 14 1
1 {} {0.524721052372 0.685647275513 0.300763111258} H8 15 1
1 {} {0.596517502638 0.676146244154 0.530841198319} H10 16 1
8 {} {0.355802015781 0.607712119062 0.550448607628} O 17 1
1 {} {0.324920601336 0.809040349868 0.488139222178} 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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14 6 0 0
16 5 0 2
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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
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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