./iterations/neb0_image08_iter101.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 {} {0.471401354896 0.219644568433 0.48979249824} O1 1 1
14 {} {0.332519897148 0.220666450156 0.577675341082} Si1 2 1
14 {} {0.602996401775 0.307024434241 0.44483994675} Si2 3 1
8 {} {0.561938394055 0.459667493731 0.401211917223} O2 4 1
8 {} {0.328136127041 0.351414813623 0.677945686633} O3 5 1
14 {} {0.299144254226 0.51332149767 0.67571644957} Si3 6 1
14 {} {0.505338317815 0.604498733574 0.453379907193} Si4 7 1
1 {} {0.329302923015 0.0992532038682 0.662382408378} H1 8 1
1 {} {0.217659634335 0.227225756444 0.483345886794} H2 9 1
1 {} {0.663319689125 0.243397084598 0.325207213587} H3 10 1
1 {} {0.697835914684 0.313970533472 0.559639329155} H4 11 1
1 {} {0.152584802563 0.538565793302 0.665808148186} H5 12 1
1 {} {0.356600202272 0.570272916522 0.800744858249} H6 13 1
1 {} {0.332931327808 0.849945133224 0.418872676435} H7 14 1
1 {} {0.473579730292 0.682917204393 0.332142596733} H8 15 1
1 {} {0.608709523265 0.671788915904 0.536604309506} H10 16 1
8 {} {0.369793403008 0.583052323259 0.544893557023} O 17 1
1 {} {0.306294246751 0.815891122429 0.480855222313} 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