./iterations/neb0_image02_iter198.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.461964971265 0.256953215622 0.491186942792} O1 1 1
14 {} {0.327929265653 0.239716240766 0.583953713098} Si1 2 1
14 {} {0.584332326134 0.346379879374 0.429410084159} Si2 3 1
8 {} {0.528838965979 0.488135965309 0.368649732324} O2 4 1
8 {} {0.316326437928 0.359377797935 0.695233861818} O3 5 1
14 {} {0.248437484961 0.506104019746 0.728012345541} Si3 6 1
14 {} {0.555532799473 0.650621564726 0.359927786569} Si4 7 1
1 {} {0.340303106246 0.110269426324 0.655976012355} H1 8 1
1 {} {0.209048517265 0.241067364044 0.494687998094} H2 9 1
1 {} {0.644120504578 0.267787686984 0.318765561624} H3 10 1
1 {} {0.683676370265 0.375395250571 0.536778581882} H4 11 1
1 {} {0.102005638042 0.489914086916 0.743582838944} H5 12 1
1 {} {0.315132250381 0.555190845971 0.851559906935} H6 13 1
1 {} {0.429606994932 0.71632820591 0.31561013478} H7 14 1
1 {} {0.664792061535 0.680961211522 0.262698577677} H8 15 1
1 {} {0.592157593206 0.703823789261 0.49519658914} H10 16 1
8 {} {0.265743114903 0.612057375773 0.602272791334} O 17 1
1 {} {0.340137750136 0.672434049989 0.597554632115} 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