iterations/neb0_image03_iter272.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457766501418 0.266072550651 0.485475347509} O1 1 1
14 {} {0.324794674286 0.241057764159 0.577404522011} Si1 2 1
14 {} {0.587378789652 0.348764462598 0.430322100103} Si2 3 1
8 {} {0.541528109257 0.493818574265 0.370211294646} O2 4 1
8 {} {0.303557881063 0.358741522493 0.688764248827} O3 5 1
14 {} {0.251326375587 0.507777339532 0.735269417976} Si3 6 1
14 {} {0.566672836726 0.656364383174 0.366219249853} Si4 7 1
1 {} {0.341911600515 0.112497244265 0.649716387762} H1 8 1
1 {} {0.205819506661 0.23749716145 0.486625532869} H2 9 1
1 {} {0.647093970101 0.269383927542 0.32041924696} H3 10 1
1 {} {0.68306064916 0.368942699925 0.543055623057} H4 11 1
1 {} {0.102453354084 0.500470257281 0.750062286928} H5 12 1
1 {} {0.317453581952 0.542983743979 0.863271124616} H6 13 1
1 {} {0.432959475682 0.720193601755 0.347627909348} H7 14 1
1 {} {0.653907891693 0.691621443392 0.251717145831} H8 15 1
1 {} {0.62748464275 0.702802267599 0.493620678919} H10 16 1
8 {} {0.300487929583 0.625688792772 0.630416917688} O 17 1
1 {} {0.264428345009 0.627840294159 0.540858546684} 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
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
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
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end