iterations/neb0_image01_iter287.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 {} {0.460787830818 0.259784899718 0.480814839527} O1 1 1
14 {} {0.327192265283 0.246608645061 0.574618194771} Si1 2 1
14 {} {0.593030388546 0.339938726449 0.427185716735} Si2 3 1
8 {} {0.550547256344 0.479645503184 0.352234665773} O2 4 1
8 {} {0.322730946416 0.366243557797 0.688057324367} O3 5 1
14 {} {0.254452868294 0.510019182816 0.729727258802} Si3 6 1
14 {} {0.541010506067 0.643783894338 0.359059967271} Si4 7 1
1 {} {0.334608678473 0.115856899015 0.645031735172} H1 8 1
1 {} {0.207039521591 0.255458274148 0.486944097061} H2 9 1
1 {} {0.660007623639 0.253057823797 0.327252012574} H3 10 1
1 {} {0.682196739156 0.371921146212 0.542432051611} H4 11 1
1 {} {0.107359915305 0.492433047909 0.741508354421} H5 12 1
1 {} {0.318747573439 0.551918067392 0.857428009234} H6 13 1
1 {} {0.410472635457 0.686237667288 0.302128812944} H7 14 1
1 {} {0.653460052618 0.704121780588 0.281864267951} H8 15 1
1 {} {0.550477928148 0.690539488406 0.501376421751} H10 16 1
8 {} {0.276977009628 0.626681771663 0.614538370787} O 17 1
1 {} {0.358986189847 0.678267204252 0.618855787287} 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