iterations/neb0_image08_iter225.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471842429865 0.225504052081 0.493160842804} O1 1 1
14 {} {0.330717151341 0.219065956236 0.576588405154} Si1 2 1
14 {} {0.613349230947 0.297471065546 0.451056099436} Si2 3 1
8 {} {0.592104174994 0.456759082139 0.416973892729} O2 4 1
8 {} {0.313398628534 0.349032588145 0.676628261168} O3 5 1
14 {} {0.300400622842 0.513198121321 0.669487557421} Si3 6 1
14 {} {0.511888769003 0.596768860441 0.44858674817} Si4 7 1
1 {} {0.331718439564 0.0971523672632 0.66126844348} H1 8 1
1 {} {0.219132763922 0.216667598079 0.478090394859} H2 9 1
1 {} {0.663226491767 0.230232483254 0.328371416134} H3 10 1
1 {} {0.709910661892 0.285758170448 0.564255776067} H4 11 1
1 {} {0.157312184166 0.552456430442 0.65967111365} H5 12 1
1 {} {0.365374895443 0.568477899298 0.791591499757} H6 13 1
1 {} {0.311909379904 0.907319802687 0.473304180747} H7 14 1
1 {} {0.471788507461 0.655009572195 0.318141856413} H8 15 1
1 {} {0.600509386216 0.686368196029 0.527617359702} H10 16 1
8 {} {0.374842318706 0.570145925852 0.534518965643} O 17 1
1 {} {0.270660225173 0.845129697574 0.461744919209} 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
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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