#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 {} {0.30758601223 0.445883166122 0.518512491689} N1 1 1
14 {} {0.374334539697 0.561695426645 0.540343089843} Si1 2 1
14 {} {0.192292973424 0.456445887157 0.494182933642} Si2 3 1
14 {} {0.352872292041 0.31058090763 0.523553425035} Si3 4 1
8 {} {0.444575302673 0.587966082233 0.436083358318} O 5 1
1 {} {0.316335266025 0.661185824418 0.553675995214} H1 6 1
1 {} {0.435383942842 0.541945199296 0.635800906091} H2 7 1
1 {} {0.168455803188 0.577079536707 0.491490847789} H3 8 1
1 {} {0.141377985276 0.399263180832 0.584417667491} H4 9 1
1 {} {0.168276829294 0.40382062955 0.385436621014} H5 10 1
1 {} {0.414893020819 0.290175334214 0.428252152643} H6 11 1
1 {} {0.276825483088 0.230630530506 0.515486700641} H7 12 1
1 {} {0.402501202313 0.293056076259 0.629778629177} H8 13 1
1 {} {0.424094811864 0.603378333026 0.361571888082} H10 14 1
7 {} {0.728186854653 0.505616331105 0.552230224104} N3 15 1
14 {} {0.68946082623 0.48683532984 0.415409909495} Si4 16 1
14 {} {0.831076130731 0.566945686489 0.579319124071} Si5 17 1
14 {} {0.663525788313 0.455001036659 0.662225190098} Si6 18 1
7 {} {0.579076797224 0.45927081345 0.418984614778} N4 19 1
1 {} {0.713335326401 0.590956888634 0.352704986487} H11 20 1
1 {} {0.731290681423 0.388089627744 0.360633774262} H12 21 1
1 {} {0.875675376298 0.589635395689 0.470168355418} H13 22 1
1 {} {0.889467794756 0.491338843789 0.646294499053} H14 23 1
1 {} {0.8221973931 0.674412341112 0.641584885201} H15 24 1
1 {} {0.580175675841 0.520538485315 0.680979829215} H16 25 1
1 {} {0.719824896819 0.465919459022 0.76485266497} H17 26 1
1 {} {0.638943207945 0.335225115313 0.647679454295} H18 27 1
1 {} {0.55198352266 0.389464769669 0.385966001245} H19 28 1
1 {} {0.53040821183 0.520612112482 0.428800327715} 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