./iterations/neb0_image02_iter77.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 {} {0.468181183242 0.236694964531 0.476871544009} O1 1 1
14 {} {0.329667059307 0.243763309521 0.564876424324} Si1 2 1
14 {} {0.59505641739 0.331391669114 0.431397499126} Si2 3 1
8 {} {0.541525624896 0.475255224563 0.374742543728} O2 4 1
8 {} {0.330409701599 0.375340417468 0.662805629669} O3 5 1
14 {} {0.266300162346 0.517306539333 0.714461729799} Si3 6 1
14 {} {0.530265115035 0.639477410327 0.379619807166} Si4 7 1
1 {} {0.323615443459 0.122122968219 0.650096748092} H1 8 1
1 {} {0.213591945048 0.250798416923 0.472130898673} H2 9 1
1 {} {0.666085335916 0.260272955592 0.321661975525} H3 10 1
1 {} {0.682738823426 0.354232461648 0.549980891348} H4 11 1
1 {} {0.121228879125 0.496157322588 0.736961407122} H5 12 1
1 {} {0.339381248739 0.557793966416 0.838024904202} H6 13 1
1 {} {0.388659759396 0.678880564817 0.356851754784} H7 14 1
1 {} {0.616537541061 0.697604137891 0.273112427224} H8 15 1
1 {} {0.577190348146 0.690985385321 0.512254800115} H10 16 1
8 {} {0.279835533186 0.6341102389 0.599407865015} O 17 1
1 {} {0.339815995171 0.710330025437 0.615799133662} 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