iterations/neb0_image07_iter133.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469739000424 0.2279611829 0.491777167694} O1 1 1
14 {} {0.329830558935 0.222116895072 0.578066846288} Si1 2 1
14 {} {0.606056817714 0.308830405071 0.44819471938} Si2 3 1
8 {} {0.57690419302 0.466459588208 0.409998248422} O2 4 1
8 {} {0.320417678333 0.352030176713 0.67947840052} O3 5 1
14 {} {0.297117114764 0.51471062576 0.667728967121} Si3 6 1
14 {} {0.502690676347 0.607622736311 0.448236616304} Si4 7 1
1 {} {0.330863580463 0.0993970732026 0.66055900942} H1 8 1
1 {} {0.215175249107 0.222434165129 0.483439450691} H2 9 1
1 {} {0.65890902792 0.240945525521 0.326049118854} H3 10 1
1 {} {0.704287166189 0.308783512355 0.561696720019} H4 11 1
1 {} {0.15082590561 0.543152729197 0.661685658012} H5 12 1
1 {} {0.361710826588 0.578007924108 0.786616727174} H6 13 1
1 {} {0.348365093121 0.843676600553 0.447544288418} H7 14 1
1 {} {0.466539076125 0.675949961184 0.32279216986} H8 15 1
1 {} {0.591925200654 0.691684042446 0.533113403841} H10 16 1
8 {} {0.363480879028 0.573641363826 0.530040544989} O 17 1
1 {} {0.315248037122 0.79511338684 0.494039867543} 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