./iterations/neb0_image05_iter6.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 {} {0.470134244867 0.230168412371 0.483397584586} O1 1 1
14 {} {0.331306539512 0.23160534248 0.571588810294} Si1 2 1
14 {} {0.603231792386 0.309265085905 0.43991789833} Si2 3 1
8 {} {0.561434070717 0.463129788426 0.381195250333} O2 4 1
8 {} {0.332290663999 0.361217251188 0.666209936216} O3 5 1
14 {} {0.275328352787 0.517410937258 0.706479133984} Si3 6 1
14 {} {0.514642827893 0.616734305546 0.413724623079} Si4 7 1
1 {} {0.330263924418 0.1158124352 0.662355798458} H1 8 1
1 {} {0.215833974232 0.235009265235 0.479592029349} H2 9 1
1 {} {0.666985059894 0.237354889095 0.327507860445} H3 10 1
1 {} {0.694765680529 0.328030181957 0.555053760287} H4 11 1
1 {} {0.128418515298 0.50866907829 0.706896843632} H5 12 1
1 {} {0.344122211786 0.551384719921 0.830982393999} H6 13 1
1 {} {0.353644708429 0.790970392007 0.378114469403} H7 14 1
1 {} {0.554442451346 0.69348470546 0.285438469828} H8 15 1
1 {} {0.585465794652 0.678441679376 0.524080149276} H10 16 1
8 {} {0.325016023842 0.630548292208 0.576019920131} O 17 1
1 {} {0.322759307679 0.773281195216 0.542503067212} 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