./iterations/neb0_image04_iter121.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466352927049 0.237028978356 0.489939669386} O1 1 1
14 {} {0.327598123728 0.228348494984 0.576393248516} Si1 2 1
14 {} {0.584930181172 0.340815792795 0.441097039421} Si2 3 1
8 {} {0.522874149324 0.487821763871 0.405363372424} O2 4 1
8 {} {0.31812425034 0.35517727906 0.680415103933} O3 5 1
14 {} {0.277668786992 0.512043271849 0.701260949461} Si3 6 1
14 {} {0.530802074871 0.652733108162 0.401376797141} Si4 7 1
1 {} {0.330829476324 0.102845623028 0.655218357004} H1 8 1
1 {} {0.210304824207 0.231071393082 0.484990870796} H2 9 1
1 {} {0.644657726762 0.280621835921 0.318492585902} H3 10 1
1 {} {0.685412670623 0.353553689373 0.551444484175} H4 11 1
1 {} {0.13019601489 0.529337400724 0.697199731505} H5 12 1
1 {} {0.340904958198 0.55853516221 0.826590457967} H6 13 1
1 {} {0.406728460606 0.735809105389 0.396001775493} H7 14 1
1 {} {0.594124921078 0.684337995211 0.269453374509} H8 15 1
1 {} {0.612179518572 0.702545293668 0.517498795663} H10 16 1
8 {} {0.33960906982 0.602805554381 0.576487701719} O 17 1
1 {} {0.28678794211 0.677086184079 0.541833683464} 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