./iterations/neb0_image02_iter34.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 {} {0.468070057152 0.238240214729 0.474939085024} O1 1 1
14 {} {0.329890386318 0.246473784966 0.562616950336} Si1 2 1
14 {} {0.596332790812 0.331303282109 0.432200481337} Si2 3 1
8 {} {0.543232218108 0.475352422255 0.374516850102} O2 4 1
8 {} {0.333884086154 0.377569804518 0.659241663748} O3 5 1
14 {} {0.269796012976 0.517480490651 0.716820885241} Si3 6 1
14 {} {0.528909196222 0.63990595271 0.378367875441} Si4 7 1
1 {} {0.32179481698 0.123033011066 0.645334083162} H1 8 1
1 {} {0.214794174017 0.253233596554 0.468718130524} H2 9 1
1 {} {0.668509216285 0.254766914 0.328373938457} H3 10 1
1 {} {0.68459801766 0.348495192729 0.550081831759} H4 11 1
1 {} {0.124810063604 0.499032434799 0.736643808959} H5 12 1
1 {} {0.340907827971 0.545733019677 0.844630282482} H6 13 1
1 {} {0.388355772502 0.679605223872 0.358415773235} H7 14 1
1 {} {0.611393248221 0.702434052376 0.268436905696} H8 15 1
1 {} {0.567846727294 0.687676103068 0.516241013565} H10 16 1
8 {} {0.280302809289 0.635164805579 0.602915724187} O 17 1
1 {} {0.336658727985 0.717017655222 0.612562705976} 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