iterations/neb0_image09_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472140651708 0.215301572371 0.495080651371} O1 1 1
14 {} {0.3359127515 0.217640749883 0.588268840076} Si1 2 1
14 {} {0.603669893075 0.298744839378 0.444167227245} Si2 3 1
8 {} {0.560075103072 0.451331904687 0.399810891554} O2 4 1
8 {} {0.327549997363 0.355902676851 0.674908618188} O3 5 1
14 {} {0.294436563512 0.517354734636 0.670021367058} Si3 6 1
14 {} {0.507339049075 0.599096628988 0.446715308529} Si4 7 1
1 {} {0.342823231964 0.104981582246 0.685248778244} H1 8 1
1 {} {0.217756678398 0.206848584342 0.497233548094} H2 9 1
1 {} {0.658518485796 0.2267979455 0.32605475987} H3 10 1
1 {} {0.703379672825 0.306297854377 0.555088488617} H4 11 1
1 {} {0.145958060789 0.532355954703 0.662745921014} H5 12 1
1 {} {0.345759508907 0.572047404778 0.799242692381} H6 13 1
1 {} {0.322480386503 0.884910349934 0.411327792842} H7 14 1
1 {} {0.491805224828 0.674335192848 0.321532633046} H8 15 1
1 {} {0.608170735346 0.664896137738 0.532800172343} H10 16 1
8 {} {0.366923029272 0.587320944902 0.538765435543} O 17 1
1 {} {0.305387130743 0.85635289848 0.482044872602} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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