./iterations/neb0_image02_iter128.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467683033041 0.241176726179 0.481848725032} O1 1 1
14 {} {0.329617276407 0.242066298882 0.570448163499} Si1 2 1
14 {} {0.592749988302 0.334917983688 0.431262434335} Si2 3 1
8 {} {0.537055722586 0.477980991289 0.373917833617} O2 4 1
8 {} {0.327301551454 0.371368788386 0.671237851898} O3 5 1
14 {} {0.261243890538 0.514412804051 0.718200301966} Si3 6 1
14 {} {0.536636979392 0.642526129103 0.373717166754} Si4 7 1
1 {} {0.327972974431 0.118612343623 0.652973379305} H1 8 1
1 {} {0.212240755894 0.247355221444 0.478983252424} H2 9 1
1 {} {0.659646227093 0.261366481091 0.320867758368} H3 10 1
1 {} {0.683934325587 0.36061200508 0.546376738463} H4 11 1
1 {} {0.115617535961 0.495204148828 0.738847620903} H5 12 1
1 {} {0.33258282462 0.556142295582 0.842213499007} H6 13 1
1 {} {0.399259914638 0.69247649313 0.344746974547} H7 14 1
1 {} {0.630870033784 0.691846805881 0.269079367763} H8 15 1
1 {} {0.580949046344 0.69458310897 0.507367962667} H10 16 1
8 {} {0.27485098538 0.629420341237 0.600048053679} O 17 1
1 {} {0.339873043164 0.700449014913 0.608920948201} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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