./iterations/neb0_image08_iter12.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 {} {0.470191817143 0.219785607319 0.491433650975} O1 1 1
14 {} {0.334751693301 0.220343450126 0.581526407325} Si1 2 1
14 {} {0.603950105663 0.303687320117 0.441958099855} Si2 3 1
8 {} {0.560515031465 0.454500461623 0.393866512206} O2 4 1
8 {} {0.328304090959 0.359367745466 0.67516470712} O3 5 1
14 {} {0.292827014444 0.518493199487 0.674851542771} Si3 6 1
14 {} {0.498933791866 0.603032755734 0.44602199467} Si4 7 1
1 {} {0.338641652378 0.108065276615 0.677385751636} H1 8 1
1 {} {0.216892821744 0.216398228603 0.490831376934} H2 9 1
1 {} {0.66162816889 0.230192329161 0.326318856992} H3 10 1
1 {} {0.700754102969 0.313756277928 0.555422923693} H4 11 1
1 {} {0.138721950222 0.524897507417 0.678201516976} H5 12 1
1 {} {0.344946037236 0.565453807512 0.811451530332} H6 13 1
1 {} {0.328607720435 0.850603487322 0.415723048402} H7 14 1
1 {} {0.508972756973 0.680189024395 0.311172836492} H8 15 1
1 {} {0.602498653695 0.670395314228 0.530783519779} H10 16 1
8 {} {0.363901491384 0.596931147502 0.543428983303} O 17 1
1 {} {0.315047248447 0.836425022238 0.485514744362} 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
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4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
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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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end