./iterations/neb0_image08_iter177.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 {} {0.471052508881 0.228026768113 0.493007566995} O1 1 1
14 {} {0.329980139245 0.220898950936 0.576808634036} Si1 2 1
14 {} {0.612157705145 0.300043111049 0.450100216497} Si2 3 1
8 {} {0.58901978044 0.458280657982 0.411459390759} O2 4 1
8 {} {0.314071640432 0.34795007918 0.680448779711} O3 5 1
14 {} {0.300565034224 0.511784824579 0.672653382002} Si3 6 1
14 {} {0.51224958708 0.598353643911 0.449680018969} Si4 7 1
1 {} {0.330680446711 0.0971263630277 0.658875915894} H1 8 1
1 {} {0.218241558014 0.221825083522 0.478015468307} H2 9 1
1 {} {0.663145650128 0.230813138398 0.329288451057} H3 10 1
1 {} {0.708249095648 0.290444184979 0.563776351663} H4 11 1
1 {} {0.15743618444 0.549379860372 0.661286668543} H5 12 1
1 {} {0.363462002753 0.567938597004 0.79477666373} H6 13 1
1 {} {0.31539014913 0.895264412397 0.46751791623} H7 14 1
1 {} {0.468936074936 0.664961532528 0.324765427356} H8 15 1
1 {} {0.605889784086 0.683968191809 0.527700659471} H10 16 1
8 {} {0.37698121002 0.569206490643 0.538766886256} O 17 1
1 {} {0.272577705386 0.83625197827 0.452129395241} 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