./iterations/neb0_image08_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472575852462 0.221002612712 0.493673508213} O1 1 1
14 {} {0.331725909782 0.217153146288 0.57752829404} Si1 2 1
14 {} {0.613480184293 0.295065819817 0.452696341004} Si2 3 1
8 {} {0.589539183551 0.454815535533 0.424557481827} O2 4 1
8 {} {0.315063793632 0.351240062577 0.671319974177} O3 5 1
14 {} {0.299096893991 0.514566055322 0.664857535018} Si3 6 1
14 {} {0.509564221526 0.596539477137 0.445990508025} Si4 7 1
1 {} {0.33384369106 0.0992470685238 0.667776108924} H1 8 1
1 {} {0.220651761408 0.210516446291 0.478539996676} H2 9 1
1 {} {0.66343664945 0.23174539446 0.327548356067} H3 10 1
1 {} {0.71118433953 0.280390550513 0.564744051243} H4 11 1
1 {} {0.155389712728 0.55195997049 0.658813420403} H5 12 1
1 {} {0.367111513304 0.570440512174 0.78490814691} H6 13 1
1 {} {0.313096083383 0.915245706224 0.475761057246} H7 14 1
1 {} {0.473579398677 0.652056836554 0.312988944912} H8 15 1
1 {} {0.596865297955 0.688266235106 0.524548577944} H10 16 1
8 {} {0.368811285361 0.571999944364 0.526975010831} O 17 1
1 {} {0.275070445117 0.85026650794 0.477830424606} 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