iterations/neb0_image07_iter116.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470240909266 0.22536648236 0.491301613239} O1 1 1
14 {} {0.330736152782 0.222188262348 0.578547207024} Si1 2 1
14 {} {0.602927456688 0.311002102622 0.447120770173} Si2 3 1
8 {} {0.566984749644 0.464950259435 0.406871748373} O2 4 1
8 {} {0.322846415616 0.352740689079 0.678411667951} O3 5 1
14 {} {0.297827873609 0.515120615347 0.672892518853} Si3 6 1
14 {} {0.503771462609 0.609504923338 0.450476836131} Si4 7 1
1 {} {0.328271667463 0.0991787913381 0.662428685236} H1 8 1
1 {} {0.214681720951 0.226510185452 0.484982069986} H2 9 1
1 {} {0.657035711669 0.247461699308 0.325516105347} H3 10 1
1 {} {0.699426637047 0.316116288945 0.559684849813} H4 11 1
1 {} {0.152274757809 0.541914388549 0.6645093743} H5 12 1
1 {} {0.357117267726 0.573056883048 0.796047777954} H6 13 1
1 {} {0.348836949574 0.832040914211 0.435252168502} H7 14 1
1 {} {0.478830533494 0.679288311941 0.32135536065} H8 15 1
1 {} {0.598612104907 0.689892712076 0.533215180589} H10 16 1
8 {} {0.36841883283 0.57882770732 0.539216765063} O 17 1
1 {} {0.311244915997 0.787356701366 0.483227242437} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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