iterations/neb0_image07_iter220.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474561018904 0.229100671043 0.495856290894} O1 1 1
14 {} {0.334437628144 0.216514437496 0.58099598996} Si1 2 1
14 {} {0.615581387305 0.299689969006 0.452785667807} Si2 3 1
8 {} {0.596209041251 0.460639843358 0.424390592797} O2 4 1
8 {} {0.308973273876 0.349047112829 0.676031280665} O3 5 1
14 {} {0.291207593572 0.510609970501 0.650177036079} Si3 6 1
14 {} {0.495998161043 0.590234441143 0.4338174145} Si4 7 1
1 {} {0.343506529789 0.0996910894709 0.67105473977} H1 8 1
1 {} {0.222598623332 0.203854238713 0.484160386264} H2 9 1
1 {} {0.660484865959 0.233377585955 0.327859684826} H3 10 1
1 {} {0.715679401467 0.286903642817 0.562548574109} H4 11 1
1 {} {0.147364171168 0.549274572186 0.64988691755} H5 12 1
1 {} {0.367102764581 0.580400103308 0.757895230471} H6 13 1
1 {} {0.342152641807 0.919194024832 0.501738208179} H7 14 1
1 {} {0.468403592221 0.637222457279 0.296219119747} H8 15 1
1 {} {0.559297019614 0.693397522722 0.520396328848} H10 16 1
8 {} {0.351927799733 0.550353248566 0.501699744516} O 17 1
1 {} {0.31460039696 0.863012890964 0.543544573474} 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