./iterations/neb0_image01_iter36.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 {} {0.467603483209 0.241477726199 0.472208842956} O1 1 1
14 {} {0.328505034614 0.249658727885 0.558799786563} Si1 2 1
14 {} {0.598768831675 0.33166340067 0.4310783328} Si2 3 1
8 {} {0.551579814262 0.475503918004 0.368648377773} O2 4 1
8 {} {0.333776192395 0.37933833268 0.658400111921} O3 5 1
14 {} {0.266993411665 0.515049392376 0.723838855085} Si3 6 1
14 {} {0.529667779634 0.639105440538 0.373037720459} Si4 7 1
1 {} {0.318482733163 0.12509432369 0.639583995005} H1 8 1
1 {} {0.21430485411 0.260538383792 0.46399499872} H2 9 1
1 {} {0.672386624671 0.25322761911 0.328895453285} H3 10 1
1 {} {0.683877090577 0.351722059746 0.55165702035} H4 11 1
1 {} {0.122573976563 0.492219528647 0.745333617951} H5 12 1
1 {} {0.341262360828 0.538463572425 0.850656316319} H6 13 1
1 {} {0.38836692262 0.674179721294 0.344816508628} H7 14 1
1 {} {0.616603285979 0.704741028128 0.270035865532} H8 15 1
1 {} {0.561767384144 0.688888141732 0.511321636986} H10 16 1
8 {} {0.269936660772 0.644537635624 0.620852459569} O 17 1
1 {} {0.343629697942 0.707108993344 0.617898087207} 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