./iterations/neb0_image06_iter230.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474994469766 0.229151828594 0.487852177276} O1 1 1
14 {} {0.330643955368 0.216069253319 0.564976470553} Si1 2 1
14 {} {0.608526927303 0.320632505135 0.461432191137} Si2 3 1
8 {} {0.576395375681 0.478891626779 0.482524768614} O2 4 1
8 {} {0.292844383577 0.35134911504 0.650898914273} O3 5 1
14 {} {0.28432389054 0.515798157758 0.650691554832} Si3 6 1
14 {} {0.489729819627 0.613028979822 0.448166192515} Si4 7 1
1 {} {0.334081779189 0.105152164413 0.663633849976} H1 8 1
1 {} {0.225922020915 0.192375185121 0.462100576725} H2 9 1
1 {} {0.650157334111 0.302476256578 0.319974432171} H3 10 1
1 {} {0.713513371804 0.291192705446 0.561538479491} H4 11 1
1 {} {0.146006747719 0.546875626219 0.697124101691} H5 12 1
1 {} {0.384427165775 0.575105326068 0.741980822449} H6 13 1
1 {} {0.388321871059 0.811292545888 0.528101930348} H7 14 1
1 {} {0.469707107588 0.648208007081 0.305690139641} H8 15 1
1 {} {0.589992729715 0.71712876621 0.496080941895} H10 16 1
8 {} {0.329706811623 0.57667283999 0.50268156014} O 17 1
1 {} {0.320790175808 0.781117046688 0.505609039942} 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