#MD System 2.0

@Title neb1_max2_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
7 {} {0.308199720069 0.445620913645 0.518241131018} N1 1 1
14 {} {0.37417268702 0.56140228676 0.541218223526} Si1 2 1
14 {} {0.192844522697 0.456097741851 0.494148777573} Si2 3 1
14 {} {0.353396567299 0.310321715197 0.523559001117} Si3 4 1
8 {} {0.443182299278 0.589547436019 0.436590508409} O 5 1
1 {} {0.316881456192 0.660524053455 0.553662970403} H1 6 1
1 {} {0.435805167381 0.541721944896 0.635484915743} H2 7 1
1 {} {0.168950332768 0.576654343252 0.491417820658} H3 8 1
1 {} {0.141862509191 0.398868275274 0.584359513391} H4 9 1
1 {} {0.168780034589 0.403419243179 0.385391820016} H5 10 1
1 {} {0.415343152762 0.289796961039 0.428207121748} H6 11 1
1 {} {0.277355509883 0.230298401076 0.51545889816} H7 12 1
1 {} {0.403004957801 0.292672786657 0.629702435326} H8 13 1
1 {} {0.424194906618 0.603347571501 0.360841516156} H10 14 1
7 {} {0.727703362053 0.50593838938 0.552213933843} N3 15 1
14 {} {0.689616933624 0.486871355542 0.415317322398} Si4 16 1
14 {} {0.830516633653 0.567252703384 0.579306640128} Si5 17 1
14 {} {0.663202181682 0.455372525958 0.662138877632} Si6 18 1
7 {} {0.579018036497 0.459126990756 0.419139592366} N4 19 1
1 {} {0.712842020014 0.591118481653 0.352837976374} H11 20 1
1 {} {0.731046029952 0.388618113779 0.360716231377} H12 21 1
1 {} {0.875220282295 0.590023846888 0.47024203394} H13 22 1
1 {} {0.88904172169 0.491734531202 0.646355540992} H14 23 1
1 {} {0.821744707374 0.674772740535 0.641640205059} H15 24 1
1 {} {0.579789007551 0.520870929324 0.681038929196} H16 25 1
1 {} {0.719344034307 0.466264764957 0.764923129984} H17 26 1
1 {} {0.638455596857 0.335578230639 0.647757018573} H18 27 1
1 {} {0.55173625152 0.389555122906 0.385908625087} H19 28 1
1 {} {0.531183332392 0.5195759388 0.428599837673} H20 29 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} {15 12 12 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15 0 0} {0 12 0} {0 0 12}} {{0.0666666666667 0 0} {0 0.0833333333333 0} {0 0 0.0833333333333}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
27 18 0 0
2 0 0 0
15 14 0 0
10 3 0 0
6 1 0 0
26 17 0 0
7 2 0 0
8 2 0 0
21 16 0 0
28 18 0 0
9 2 0 0
20 15 0 0
19 15 0 0
1 0 0 0
4 1 0 0
5 1 0 0
25 17 0 0
18 15 0 0
13 4 0 0
3 0 0 0
16 14 0 0
17 14 0 0
12 3 0 0
24 17 0 0
23 16 0 0
11 3 0 0
22 16 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 27 18 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 15 {0 0 0} 0
3 3 10 {0 0 0} 0
4 1 6 {0 0 0} 0
5 26 17 {0 0 0} 0
6 7 2 {0 0 0} 0
7 8 2 {0 0 0} 0
8 16 21 {0 0 0} 0
9 28 18 {0 0 0} 0
10 9 2 {0 0 0} 0
11 15 20 {0 0 0} 0
12 15 19 {0 0 0} 0
13 0 1 {0 0 0} 0
14 4 1 {0 0 0} 0
15 1 5 {0 0 0} 0
16 17 25 {0 0 0} 0
17 15 18 {0 0 0} 0
18 4 13 {0 0 0} 0
19 3 0 {0 0 0} 0
20 16 14 {0 0 0} 0
21 14 17 {0 0 0} 0
22 3 12 {0 0 0} 0
23 17 24 {0 0 0} 0
24 16 23 {0 0 0} 0
25 11 3 {0 0 0} 0
26 22 16 {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