./iterations/neb0_image08_iter126.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 {} {0.470897776321 0.220827497691 0.489912397371} O1 1 1
14 {} {0.331772768585 0.220597397006 0.576990221015} Si1 2 1
14 {} {0.60514208461 0.305289439901 0.445746250203} Si2 3 1
8 {} {0.56761250244 0.459412699277 0.402595964204} O2 4 1
8 {} {0.325455890035 0.350373862514 0.678751554712} O3 5 1
14 {} {0.299908494885 0.513095798808 0.675889328384} Si3 6 1
14 {} {0.508106067439 0.604004414294 0.453408994447} Si4 7 1
1 {} {0.328671411551 0.0981588582356 0.660748309591} H1 8 1
1 {} {0.216333474732 0.226484388709 0.482762208691} H2 9 1
1 {} {0.66246104912 0.237894756079 0.326391475175} H3 10 1
1 {} {0.701060861172 0.311838195253 0.560189445485} H4 11 1
1 {} {0.154244594908 0.540698731798 0.664710076019} H5 12 1
1 {} {0.357547025046 0.569101831821 0.801014511273} H6 13 1
1 {} {0.332192600984 0.861177163309 0.426785954842} H7 14 1
1 {} {0.472722595803 0.679302850796 0.330586886239} H8 15 1
1 {} {0.609028678795 0.676980623862 0.535940554976} H10 16 1
8 {} {0.37241862526 0.58080224502 0.544205560952} O 17 1
1 {} {0.294509674816 0.816477220563 0.474428234264} 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