./iterations/neb0_image06_iter206.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475046921076 0.225684901549 0.485507980959} O1 1 1
14 {} {0.331208714683 0.216873402575 0.565696689804} Si1 2 1
14 {} {0.608519470467 0.317922722254 0.458046291608} Si2 3 1
8 {} {0.571804250296 0.476413888555 0.468500603476} O2 4 1
8 {} {0.301713378789 0.353334283385 0.651908481667} O3 5 1
14 {} {0.285597107067 0.516226224194 0.653450538262} Si3 6 1
14 {} {0.486167806739 0.613576766667 0.44748332913} Si4 7 1
1 {} {0.335654133591 0.103949346424 0.663471800359} H1 8 1
1 {} {0.224191073943 0.199808782835 0.463204246786} H2 9 1
1 {} {0.65520935199 0.290783381865 0.319325538796} H3 10 1
1 {} {0.712662242509 0.2938895269 0.562566611514} H4 11 1
1 {} {0.145150985142 0.547177286609 0.694478451315} H5 12 1
1 {} {0.381017422463 0.578243484374 0.748469390473} H6 13 1
1 {} {0.389508121696 0.810492148154 0.529593049368} H7 14 1
1 {} {0.468659731922 0.655985017193 0.305979721245} H8 15 1
1 {} {0.585650719917 0.711254979763 0.504586290564} H10 16 1
8 {} {0.330097269159 0.576848305308 0.505755961052} O 17 1
1 {} {0.322227230109 0.784053433574 0.503033117556} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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