./iterations/neb0_image04_iter261.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466958037408 0.261431499604 0.49088355462} O1 1 1
14 {} {0.325893940929 0.230286039105 0.5680043002} Si1 2 1
14 {} {0.598645563986 0.348161886866 0.447183187191} Si2 3 1
8 {} {0.557280803406 0.504656354231 0.427039441081} O2 4 1
8 {} {0.284113590138 0.348665693385 0.672892848528} O3 5 1
14 {} {0.241118507349 0.50412458636 0.700508329646} Si3 6 1
14 {} {0.580389878026 0.665435916952 0.401176892659} Si4 7 1
1 {} {0.343649507283 0.10572152398 0.648217284988} H1 8 1
1 {} {0.21817133671 0.214625527923 0.465811018963} H2 9 1
1 {} {0.648183827726 0.291348546484 0.319370446221} H3 10 1
1 {} {0.700194446377 0.339174651099 0.555111319755} H4 11 1
1 {} {0.106580605158 0.507950183415 0.764295970468} H5 12 1
1 {} {0.342900594562 0.562899982004 0.791782208509} H6 13 1
1 {} {0.456485526844 0.738308830496 0.437214040051} H7 14 1
1 {} {0.612725605195 0.689015132262 0.25730964903} H8 15 1
1 {} {0.694164811011 0.715070637674 0.484155760216} H10 16 1
8 {} {0.239201237203 0.580241583974 0.553115146024} O 17 1
1 {} {0.193428138338 0.665399234552 0.546986857549} 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
15 6 0 0
4 1 0 0
3 2 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
0 0 1 {0 0 0} 0
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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
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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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end