iterations/neb0_image06_iter267.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.471049318129 0.24626216898 0.491090828306} O1 1 1
14 {} {0.326217752562 0.219179504076 0.561542567167} Si1 2 1
14 {} {0.608424600496 0.332207638835 0.467918058437} Si2 3 1
8 {} {0.581028853609 0.487308638869 0.514363786094} O2 4 1
8 {} {0.268067882356 0.353548724142 0.636055984507} O3 5 1
14 {} {0.278669771192 0.51676476647 0.653319938497} Si3 6 1
14 {} {0.492452493835 0.613451117866 0.456432101337} Si4 7 1
1 {} {0.33925761929 0.115074517663 0.667721756929} H1 8 1
1 {} {0.233529942444 0.179713231527 0.452443743132} H2 9 1
1 {} {0.643016993608 0.333076083501 0.323364979574} H3 10 1
1 {} {0.717151335023 0.278689510835 0.554223171048} H4 11 1
1 {} {0.14454424634 0.556828170622 0.711172439876} H5 12 1
1 {} {0.38271645816 0.566797502201 0.748630178916} H6 13 1
1 {} {0.394637038063 0.797105517515 0.510018482307} H7 14 1
1 {} {0.475025576933 0.620697760999 0.308337974801} H8 15 1
1 {} {0.595329243319 0.72274561239 0.480878809662} H10 16 1
8 {} {0.327748374854 0.577971536719 0.50777286757} O 17 1
1 {} {0.331218530986 0.755096089929 0.485770616581} 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
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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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