./iterations/neb0_image02_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_image02

@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 {} {0.467811722298 0.241739556172 0.474395156615} O1 1 1
14 {} {0.328032786295 0.248060886848 0.560152606592} Si1 2 1
14 {} {0.603200000725 0.325036148895 0.433404525441} Si2 3 1
8 {} {0.565721357766 0.470691573888 0.369027783597} O2 4 1
8 {} {0.329721569912 0.377802670389 0.659860131462} O3 5 1
14 {} {0.268605787057 0.510181501724 0.722929422225} Si3 6 1
14 {} {0.52846565311 0.628991762801 0.379477290749} Si4 7 1
1 {} {0.319355107816 0.12554085866 0.642779602881} H1 8 1
1 {} {0.214547471756 0.258908248653 0.46521733118} H2 9 1
1 {} {0.67360687047 0.246449536026 0.32984730289} H3 10 1
1 {} {0.686697757816 0.345581547314 0.554407469396} H4 11 1
1 {} {0.124333034375 0.491846255998 0.738934929835} H5 12 1
1 {} {0.341703512121 0.53493886899 0.848405197923} H6 13 1
1 {} {0.376300472149 0.713839947062 0.33908514781} H7 14 1
1 {} {0.596998075403 0.699949197471 0.2801482676} H8 15 1
1 {} {0.564202403551 0.687209991921 0.506658245204} H10 16 1
8 {} {0.28411969139 0.635062789827 0.626500544504} O 17 1
1 {} {0.336662865994 0.730686617361 0.5998270441} 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
12 5 0 0
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
2 0 2 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end