./iterations/neb0_image08_iter212.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 {} {0.471842318374 0.225826137582 0.493074813747} O1 1 1
14 {} {0.330305361853 0.218897783402 0.576599933421} Si1 2 1
14 {} {0.613213038493 0.297517016399 0.450970758712} Si2 3 1
8 {} {0.592384254267 0.457148012691 0.416054608107} O2 4 1
8 {} {0.313334474038 0.348615856353 0.677079001324} O3 5 1
14 {} {0.300284312117 0.51305142457 0.670327063416} Si3 6 1
14 {} {0.512309767705 0.596770427285 0.448921266276} Si4 7 1
1 {} {0.331392116606 0.0964988696047 0.660753121911} H1 8 1
1 {} {0.218797631379 0.217774599884 0.477653764286} H2 9 1
1 {} {0.663520176322 0.230628833815 0.327875977567} H3 10 1
1 {} {0.709649948023 0.286670178965 0.564425377425} H4 11 1
1 {} {0.157186854148 0.55253568772 0.659808425601} H5 12 1
1 {} {0.365543782586 0.56845442929 0.792326117095} H6 13 1
1 {} {0.311628237435 0.90587202692 0.473051649196} H7 14 1
1 {} {0.471326494691 0.655558339752 0.318210765005} H8 15 1
1 {} {0.601579094453 0.686538262344 0.528262977254} H10 16 1
8 {} {0.375132257875 0.569472604736 0.535574323113} O 17 1
1 {} {0.270656141005 0.844687376362 0.460087786929} 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