iterations/neb0_image07_iter1.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470826999392 0.222257331527 0.490625085381} O1 1 1
14 {} {0.334128627224 0.225576474786 0.581342708639} Si1 2 1
14 {} {0.604056183474 0.304554814054 0.4415450641} Si2 3 1
8 {} {0.565282749367 0.455015939222 0.3899208109} O2 4 1
8 {} {0.327098764004 0.362834778364 0.670513772176} O3 5 1
14 {} {0.285168950674 0.513225727828 0.687115519452} Si3 6 1
14 {} {0.517107472573 0.606699021046 0.422883729929} Si4 7 1
1 {} {0.337142629023 0.111303979754 0.674788854627} H1 8 1
1 {} {0.21757378 0.219541235297 0.490194829093} H2 9 1
1 {} {0.662020471317 0.231215564691 0.327357702879} H3 10 1
1 {} {0.699174149247 0.315552190235 0.554751830382} H4 11 1
1 {} {0.139902296625 0.520611581402 0.682035975446} H5 12 1
1 {} {0.344895674682 0.561904571426 0.811927557781} H6 13 1
1 {} {0.337372409091 0.847406503706 0.386772953425} H7 14 1
1 {} {0.524185150979 0.681867514405 0.308916670419} H8 15 1
1 {} {0.595090489709 0.669831387837 0.523548724821} H10 16 1
8 {} {0.338136812952 0.600676220289 0.569201049137} O 17 1
1 {} {0.310922529671 0.822443124132 0.517615161412} 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
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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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3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end