iterations/neb0_image05_iter83.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470831880985 0.22439394504 0.487925307016} O1 1 1
14 {} {0.332367048939 0.224096116816 0.575491762549} Si1 2 1
14 {} {0.589266140276 0.331495485998 0.444134189987} Si2 3 1
8 {} {0.529331882164 0.480455665708 0.419551692873} O2 4 1
8 {} {0.327219917926 0.357252871758 0.675257862998} O3 5 1
14 {} {0.288427559368 0.515146083062 0.683291482925} Si3 6 1
14 {} {0.502921809604 0.646715692553 0.428248175186} Si4 7 1
1 {} {0.326454487457 0.102583647714 0.661930066048} H1 8 1
1 {} {0.215242024677 0.232388240518 0.483567016393} H2 9 1
1 {} {0.651521283396 0.279011869755 0.319603017556} H3 10 1
1 {} {0.686189433723 0.335084445618 0.55665451344} H4 11 1
1 {} {0.141829861524 0.54093723732 0.674194473529} H5 12 1
1 {} {0.355017682765 0.573622920653 0.802985915196} H6 13 1
1 {} {0.397248054998 0.770363279166 0.435092306606} H7 14 1
1 {} {0.533609846194 0.674974024693 0.285180999014} H8 15 1
1 {} {0.59811166816 0.695782107782 0.530004131313} H10 16 1
8 {} {0.345539300738 0.596330878055 0.545216413058} O 17 1
1 {} {0.318956218607 0.69188342779 0.522728661055} 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