iterations/neb0_image08_iter273.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 {} {0.473904895423 0.215768924889 0.493432242337} O1 1 1
14 {} {0.33291017204 0.215828921971 0.578579364468} Si1 2 1
14 {} {0.612657157685 0.294260226437 0.453527507457} Si2 3 1
8 {} {0.587367534994 0.454379720174 0.427859956193} O2 4 1
8 {} {0.315312752535 0.352249364079 0.668969112877} O3 5 1
14 {} {0.297734021933 0.516009870536 0.660952477823} Si3 6 1
14 {} {0.507804361122 0.596430374553 0.444469618442} Si4 7 1
1 {} {0.334958831957 0.100965017321 0.673355859174} H1 8 1
1 {} {0.221424185811 0.206376470536 0.479402667981} H2 9 1
1 {} {0.663557887913 0.234913318249 0.327038556144} H3 10 1
1 {} {0.710894035303 0.277752203406 0.564536176034} H4 11 1
1 {} {0.153366684607 0.550294703228 0.659285665617} H5 12 1
1 {} {0.367845153802 0.572903777139 0.778918584053} H6 13 1
1 {} {0.314937973267 0.917704111577 0.475337202561} H7 14 1
1 {} {0.475498493493 0.650670482283 0.310581037301} H8 15 1
1 {} {0.594483150913 0.688819289955 0.521680310573} H10 16 1
8 {} {0.364478776913 0.574571952241 0.522571719389} O 17 1
1 {} {0.280950102723 0.852619142595 0.490559701091} 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