./iterations/neb0_image07_iter225.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 {} {0.474806042519 0.227876301669 0.496194074056} O1 1 1
14 {} {0.334776771921 0.215911766487 0.581274819751} Si1 2 1
14 {} {0.615782731967 0.299309161372 0.452988388556} Si2 3 1
8 {} {0.596448436739 0.460350909321 0.425084355461} O2 4 1
8 {} {0.30919776835 0.348922892552 0.675550945787} O3 5 1
14 {} {0.291081957023 0.510714694743 0.649530683313} Si3 6 1
14 {} {0.496057457721 0.589878129245 0.433224599817} Si4 7 1
1 {} {0.343550026744 0.0993970294517 0.672087057035} H1 8 1
1 {} {0.222704716354 0.202753627357 0.484588871201} H2 9 1
1 {} {0.660100134052 0.233121290587 0.327686484794} H3 10 1
1 {} {0.716123346381 0.286856837169 0.562626874344} H4 11 1
1 {} {0.147350605345 0.549616380095 0.648772030398} H5 12 1
1 {} {0.367150279713 0.580016848362 0.757396776623} H6 13 1
1 {} {0.341702085558 0.922182542109 0.503312012413} H7 14 1
1 {} {0.469141535068 0.635620669953 0.294929974104} H8 15 1
1 {} {0.558712324471 0.693445694635 0.519625389642} H10 16 1
8 {} {0.351371819128 0.550450519538 0.501145493856} O 17 1
1 {} {0.314027863342 0.86609252685 0.545038943584} 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