./iterations/neb0_image03_iter241.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455265994788 0.268504231315 0.489563148953} O1 1 1
14 {} {0.323200344096 0.239202165962 0.581755928447} Si1 2 1
14 {} {0.583671036626 0.350675311763 0.429698561888} Si2 3 1
8 {} {0.534984458307 0.495256391502 0.367589594573} O2 4 1
8 {} {0.302727106695 0.352467949141 0.698623639353} O3 5 1
14 {} {0.254504570968 0.50424502972 0.738810225309} Si3 6 1
14 {} {0.566251872392 0.657359745676 0.360689889558} Si4 7 1
1 {} {0.34152706065 0.108540906223 0.648556946605} H1 8 1
1 {} {0.206496790177 0.239360100681 0.489760250423} H2 9 1
1 {} {0.643303902726 0.269591208677 0.319168945858} H3 10 1
1 {} {0.683084071424 0.376204120767 0.538904690873} H4 11 1
1 {} {0.105288456642 0.506216376792 0.742222804839} H5 12 1
1 {} {0.316302675212 0.537247832458 0.869889777174} H6 13 1
1 {} {0.435758078395 0.724237420444 0.328539776317} H7 14 1
1 {} {0.666562047458 0.68580213001 0.254316288755} H8 15 1
1 {} {0.621014539864 0.708113356279 0.490858295545} H10 16 1
8 {} {0.308952800727 0.61946782933 0.633463825674} O 17 1
1 {} {0.261190366118 0.630025959354 0.548645032955} 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