iterations/neb0_image08_iter47.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 {} {0.470921509566 0.215280840076 0.487596174505} O1 1 1
14 {} {0.334151184259 0.221021018647 0.577626896318} Si1 2 1
14 {} {0.60112115901 0.306378650519 0.443629015542} Si2 3 1
8 {} {0.555051805617 0.457290875494 0.400793627331} O2 4 1
8 {} {0.332624688902 0.355233486466 0.673261911662} O3 5 1
14 {} {0.296770820761 0.515788032067 0.674889406671} Si3 6 1
14 {} {0.504244284345 0.605015448129 0.453241888899} Si4 7 1
1 {} {0.333857908879 0.104834157503 0.669439642677} H1 8 1
1 {} {0.216198127863 0.223209832722 0.486327985537} H2 9 1
1 {} {0.662061532848 0.241082239839 0.325165908076} H3 10 1
1 {} {0.697853233966 0.319850199833 0.556310102573} H4 11 1
1 {} {0.149494898803 0.536618758368 0.668494964807} H5 12 1
1 {} {0.35200375725 0.573479716098 0.800454775228} H6 13 1
1 {} {0.332814508117 0.834302939933 0.415912060494} H7 14 1
1 {} {0.479991929295 0.6812652302 0.328495262925} H8 15 1
1 {} {0.605403829473 0.672110780551 0.539842226623} H10 16 1
8 {} {0.365043493035 0.589153795197 0.542359388348} O 17 1
1 {} {0.320477453835 0.820601964505 0.487216762796} 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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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
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
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
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3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
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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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end