iterations/neb0_image08_iter90.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 {} {0.471755972864 0.218522441471 0.489513212248} O1 1 1
14 {} {0.333099048556 0.221050821665 0.577924287504} Si1 2 1
14 {} {0.602800550917 0.307345205721 0.444508625315} Si2 3 1
8 {} {0.559682749683 0.459545453226 0.400144535244} O2 4 1
8 {} {0.329154132021 0.352334581443 0.678279819977} O3 5 1
14 {} {0.298787956659 0.514345579505 0.675382081496} Si3 6 1
14 {} {0.504705832744 0.604953897905 0.453604283161} Si4 7 1
1 {} {0.329741829834 0.0993843500975 0.663345197744} H1 8 1
1 {} {0.217596317319 0.226579375757 0.483309038897} H2 9 1
1 {} {0.663421502849 0.244554115943 0.32471186967} H3 10 1
1 {} {0.697168067318 0.314113267676 0.559910804963} H4 11 1
1 {} {0.15231212511 0.538119054767 0.665535925899} H5 12 1
1 {} {0.356460326966 0.570953066242 0.800122242674} H6 13 1
1 {} {0.333046163519 0.845241042898 0.41717210898} H7 14 1
1 {} {0.472559512115 0.683888048034 0.332358306979} H8 15 1
1 {} {0.608687023015 0.671013616228 0.537994299015} H10 16 1
8 {} {0.368020016104 0.584694993793 0.544215690311} O 17 1
1 {} {0.311087002581 0.81587907087 0.48302562455} 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
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	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
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
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end