./iterations/neb0_image02_iter284.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 {} {0.454676141776 0.268703428298 0.48462013159} O1 1 1
14 {} {0.324848511905 0.241226908594 0.581569231454} Si1 2 1
14 {} {0.584396566881 0.34896468267 0.428003632859} Si2 3 1
8 {} {0.538510363036 0.493778046029 0.365520213125} O2 4 1
8 {} {0.311339070163 0.359344421836 0.696271444367} O3 5 1
14 {} {0.240181750022 0.502544612606 0.734055706107} Si3 6 1
14 {} {0.565579838229 0.655967863651 0.357140687916} Si4 7 1
1 {} {0.34764269398 0.111527172054 0.651040882091} H1 8 1
1 {} {0.20341310454 0.238136535877 0.495770538446} H2 9 1
1 {} {0.643343520638 0.267993136461 0.318585136383} H3 10 1
1 {} {0.681527656232 0.372944592753 0.538548418879} H4 11 1
1 {} {0.0942631843416 0.483247269102 0.755446888975} H5 12 1
1 {} {0.310878308128 0.552192471053 0.854984938568} H6 13 1
1 {} {0.438004572662 0.720410861871 0.315735640014} H7 14 1
1 {} {0.672967974143 0.68655615895 0.257707765635} H8 15 1
1 {} {0.604663420736 0.707865468488 0.491791737245} H10 16 1
8 {} {0.252539822639 0.612544087296 0.610379153465} O 17 1
1 {} {0.341309969649 0.648570534831 0.593885510069} 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