./iterations/neb0_image02_iter132.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 {} {0.467543902331 0.241699185707 0.482477377522} O1 1 1
14 {} {0.329345953735 0.241835950795 0.571283460099} Si1 2 1
14 {} {0.592091916584 0.335482067567 0.431043783343} Si2 3 1
8 {} {0.536195301195 0.478419054044 0.373756174407} O2 4 1
8 {} {0.326840027819 0.370744016156 0.672688745259} O3 5 1
14 {} {0.260388473669 0.513804382856 0.718563038616} Si3 6 1
14 {} {0.537831845431 0.64309686936 0.373102973264} Si4 7 1
1 {} {0.328646935668 0.11810427331 0.653382535039} H1 8 1
1 {} {0.212043051721 0.247037964628 0.479818093914} H2 9 1
1 {} {0.659063500192 0.261873587744 0.320408124146} H3 10 1
1 {} {0.683846189324 0.361767158559 0.54573340482} H4 11 1
1 {} {0.114421187136 0.494822126305 0.73925556067} H5 12 1
1 {} {0.331754391109 0.55647109682 0.84231870346} H6 13 1
1 {} {0.400789796173 0.693186816713 0.343302974485} H7 14 1
1 {} {0.632922304316 0.691003899938 0.268947748795} H8 15 1
1 {} {0.581689247115 0.695357296125 0.5065674255} H10 16 1
8 {} {0.274436473178 0.628508143327 0.600060243288} O 17 1
1 {} {0.340235609674 0.699304089093 0.60834767481} 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