iterations/neb0_image05_iter244.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 {} {0.471314625219 0.256961137783 0.491312160626} O1 1 1
14 {} {0.325564780906 0.229080273085 0.559402687503} Si1 2 1
14 {} {0.608162712872 0.346163398876 0.470867955388} Si2 3 1
8 {} {0.579462214643 0.503863511728 0.514335755654} O2 4 1
8 {} {0.266534143874 0.364743673265 0.626175416323} O3 5 1
14 {} {0.235732908035 0.524340507406 0.658992420629} Si3 6 1
14 {} {0.573037775422 0.65768563202 0.45335968987} Si4 7 1
1 {} {0.33857815677 0.125000680413 0.666022021605} H1 8 1
1 {} {0.23394315214 0.182412135271 0.450864193798} H2 9 1
1 {} {0.648364179173 0.337584146148 0.326863935167} H3 10 1
1 {} {0.714533836559 0.290190257767 0.558750524621} H4 11 1
1 {} {0.13692944421 0.529994628423 0.769708102394} H5 12 1
1 {} {0.364386383957 0.591263460569 0.693886853292} H6 13 1
1 {} {0.510282823144 0.748601658765 0.552419248003} H7 14 1
1 {} {0.486884631183 0.652082226291 0.329791304414} H8 15 1
1 {} {0.711827493284 0.708027379841 0.421932665414} H10 16 1
8 {} {0.170383054302 0.604440876572 0.529050240007} O 17 1
1 {} {0.234163714363 0.620082490441 0.457323020106} 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