./iterations/neb0_image01_iter56.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 {} {0.46770397202 0.240380037662 0.472359711476} O1 1 1
14 {} {0.328385664982 0.249000413663 0.559111005483} Si1 2 1
14 {} {0.598405516407 0.331371912205 0.430926429291} Si2 3 1
8 {} {0.551592131879 0.475215272169 0.368353173225} O2 4 1
8 {} {0.33352418632 0.379683134519 0.658238964475} O3 5 1
14 {} {0.264954963038 0.514890192045 0.722787593167} Si3 6 1
14 {} {0.529760253834 0.637997017905 0.374298440381} Si4 7 1
1 {} {0.319301893456 0.125251562727 0.641487307664} H1 8 1
1 {} {0.213234701092 0.26021435462 0.464990326636} H2 9 1
1 {} {0.671167603881 0.256508316361 0.325514405049} H3 10 1
1 {} {0.682844399377 0.355435147033 0.551448042476} H4 11 1
1 {} {0.120139844356 0.491199261141 0.745851231521} H5 12 1
1 {} {0.34125250509 0.544268030775 0.847135013327} H6 13 1
1 {} {0.387556867719 0.670392954593 0.345703205056} H7 14 1
1 {} {0.618268889679 0.702971354702 0.273585592448} H8 15 1
1 {} {0.565499687213 0.690540281597 0.510232377362} H10 16 1
8 {} {0.270068814098 0.644178737073 0.619514115695} O 17 1
1 {} {0.346424253708 0.703019973331 0.619521052804} 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