iterations/neb0_image08_iter151.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 {} {0.471102723615 0.22759868909 0.493244368139} O1 1 1
14 {} {0.330381432798 0.220403831915 0.576919972489} Si1 2 1
14 {} {0.609825762134 0.302469772397 0.448893079458} Si2 3 1
8 {} {0.583894214193 0.459846871501 0.409036768046} O2 4 1
8 {} {0.319125580055 0.34881808783 0.67943859664} O3 5 1
14 {} {0.30133399489 0.51241322759 0.673973018048} Si3 6 1
14 {} {0.51103710843 0.601279224774 0.451044396792} Si4 7 1
1 {} {0.328389168184 0.0949244136968 0.657194610965} H1 8 1
1 {} {0.217776528475 0.223922788328 0.47934770273} H2 9 1
1 {} {0.662657691563 0.230790174506 0.330098441539} H3 10 1
1 {} {0.705903980987 0.295676199066 0.56258447405} H4 11 1
1 {} {0.157920389321 0.547792739422 0.658967995291} H5 12 1
1 {} {0.363966930619 0.568331759251 0.796366683805} H6 13 1
1 {} {0.322320204615 0.885538200535 0.455636291235} H7 14 1
1 {} {0.464098744243 0.672186746263 0.329897396818} H8 15 1
1 {} {0.607253740474 0.681360829166 0.53106737375} H10 16 1
8 {} {0.377034671336 0.572739793527 0.541603776832} O 17 1
1 {} {0.276063365881 0.826424543215 0.455742877556} 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