./iterations/neb0_image08_iter21.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470949875173 0.21973903261 0.489726756325} O1 1 1
14 {} {0.33436349795 0.222731682761 0.5817124609} Si1 2 1
14 {} {0.602552458802 0.306075372802 0.441773288252} Si2 3 1
8 {} {0.555251692759 0.457384409805 0.39741918395} O2 4 1
8 {} {0.329328270668 0.359697840929 0.673337431017} O3 5 1
14 {} {0.294398959942 0.519297994669 0.673402016485} Si3 6 1
14 {} {0.503165426682 0.605691388541 0.445279788322} Si4 7 1
1 {} {0.337540324781 0.107025842329 0.675630359899} H1 8 1
1 {} {0.216422265607 0.218263747041 0.489208071876} H2 9 1
1 {} {0.662151103354 0.231928220246 0.326375212595} H3 10 1
1 {} {0.69997354856 0.315442889989 0.555242766948} H4 11 1
1 {} {0.143367117371 0.526873718006 0.678221599413} H5 12 1
1 {} {0.344318194769 0.565814632863 0.807907420237} H6 13 1
1 {} {0.330312002735 0.844894611222 0.413770915873} H7 14 1
1 {} {0.502483991185 0.677401675571 0.317656357774} H8 15 1
1 {} {0.602340187094 0.670820590957 0.532916361114} H10 16 1
8 {} {0.364621951815 0.591780857718 0.542937241931} O 17 1
1 {} {0.31654527482 0.831653459361 0.488540774565} 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