iterations/neb0_image09_iter108.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471946983907 0.214444346171 0.494308701966} O1 1 1
14 {} {0.335394617112 0.216152429098 0.585647293074} Si1 2 1
14 {} {0.603324093733 0.299432349801 0.444745586315} Si2 3 1
8 {} {0.561534938871 0.45216603109 0.401150715017} O2 4 1
8 {} {0.327356709071 0.35351459308 0.676116620939} O3 5 1
14 {} {0.29689705747 0.514984037487 0.670404881721} Si3 6 1
14 {} {0.507288843418 0.598855164363 0.451232764714} Si4 7 1
1 {} {0.33908991434 0.101219645773 0.679579357619} H1 8 1
1 {} {0.218090441652 0.210377317808 0.494101644323} H2 9 1
1 {} {0.658952602345 0.231905106306 0.325003035347} H3 10 1
1 {} {0.702042315367 0.306837411216 0.556120944977} H4 11 1
1 {} {0.150620433889 0.538212316772 0.656985920968} H5 12 1
1 {} {0.35139225004 0.574953835321 0.795078305009} H6 13 1
1 {} {0.322904544483 0.881808115591 0.415026062317} H7 14 1
1 {} {0.476554917328 0.678358441592 0.329796593036} H8 15 1
1 {} {0.611824348415 0.664017208107 0.534933397629} H10 16 1
8 {} {0.37004302269 0.582909852388 0.539449183064} O 17 1
1 {} {0.304828129233 0.852369774292 0.48137695755} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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