./iterations/neb0_image01_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467578482285 0.241350266776 0.472306439256} O1 1 1
14 {} {0.328473601454 0.249408200637 0.558843247539} Si1 2 1
14 {} {0.598449297152 0.33145141441 0.431146631046} Si2 3 1
8 {} {0.551273906351 0.475628874412 0.368702891372} O2 4 1
8 {} {0.33394291239 0.379503451157 0.658333327702} O3 5 1
14 {} {0.266730008961 0.514902425275 0.723472840945} Si3 6 1
14 {} {0.529838948128 0.638900480013 0.373279483292} Si4 7 1
1 {} {0.318681429878 0.125186708618 0.639771773518} H1 8 1
1 {} {0.214304995224 0.26036956 0.464293513107} H2 9 1
1 {} {0.672105223769 0.253914245504 0.328421974039} H3 10 1
1 {} {0.683698968107 0.352323673305 0.551479502574} H4 11 1
1 {} {0.12216358797 0.492314706129 0.745348178167} H5 12 1
1 {} {0.341279231653 0.539529694844 0.849916184244} H6 13 1
1 {} {0.388244412902 0.673244700065 0.345270659228} H7 14 1
1 {} {0.616949392643 0.704511424674 0.270496894747} H8 15 1
1 {} {0.562366904872 0.689117793657 0.511288057901} H10 16 1
8 {} {0.270194264251 0.644582192932 0.620470543261} O 17 1
1 {} {0.343810572305 0.706278133891 0.618215843849} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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