./iterations/neb0_image01_iter299.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.460585688755 0.259254077896 0.480780367127} O1 1 1
14 {} {0.327399634427 0.246071014855 0.575395830257} Si1 2 1
14 {} {0.592317930596 0.340066794042 0.427696809057} Si2 3 1
8 {} {0.549719364898 0.48014744719 0.353816905199} O2 4 1
8 {} {0.322878788115 0.365238592031 0.688130387662} O3 5 1
14 {} {0.25528658362 0.509291728702 0.729132429} Si3 6 1
14 {} {0.540690578741 0.644248033696 0.359158921626} Si4 7 1
1 {} {0.334861829991 0.115834316406 0.645856828296} H1 8 1
1 {} {0.207234005497 0.254609210489 0.488643587568} H2 9 1
1 {} {0.659347527895 0.253385402053 0.328027528346} H3 10 1
1 {} {0.681618529164 0.370936858838 0.542615211443} H4 11 1
1 {} {0.108517447631 0.492188933833 0.739247527944} H5 12 1
1 {} {0.317623733719 0.551953007655 0.856899974438} H6 13 1
1 {} {0.411231496177 0.689209226565 0.301552135575} H7 14 1
1 {} {0.653552508833 0.703812471583 0.281968972827} H8 15 1
1 {} {0.54997909632 0.69155837994 0.501212759458} H10 16 1
8 {} {0.278183456572 0.625526586618 0.61340281351} O 17 1
1 {} {0.35905773782 0.679185457358 0.617518882212} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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