iterations/neb0_image07_iter147.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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	WyckoffPosition	int	-1
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@data
8 {} {0.471430793683 0.238806847604 0.492884257107} O1 1 1
14 {} {0.332396305253 0.223044277544 0.576969322806} Si1 2 1
14 {} {0.614042218663 0.307285545317 0.450198116912} Si2 3 1
8 {} {0.597571845351 0.46870669209 0.419335979945} O2 4 1
8 {} {0.312115643643 0.350988038621 0.679025059565} O3 5 1
14 {} {0.29189173914 0.513041258447 0.660349885342} Si3 6 1
14 {} {0.497551351108 0.598287945675 0.44205920716} Si4 7 1
1 {} {0.337362052439 0.0989790423096 0.660589190792} H1 8 1
1 {} {0.21843765838 0.215565944458 0.479917260315} H2 9 1
1 {} {0.662563666008 0.234150224821 0.331629286062} H3 10 1
1 {} {0.709303847794 0.287923834301 0.561153364059} H4 11 1
1 {} {0.148774534796 0.546477935692 0.658391709185} H5 12 1
1 {} {0.369071871519 0.585503164293 0.762540758876} H6 13 1
1 {} {0.349516799675 0.87572910511 0.478370146808} H7 14 1
1 {} {0.448391991893 0.664591386594 0.318971265771} H8 15 1
1 {} {0.575619485174 0.691403449687 0.528616588546} H10 16 1
8 {} {0.355366959505 0.553253027615 0.51313996368} O 17 1
1 {} {0.318677253025 0.818780118114 0.516916507358} 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
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@data
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5 4 1 {0 0 0} 0
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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