#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 {} {0.310280742767 0.445483644616 0.517748668911} N1 1 1
14 {} {0.376866432352 0.559698716982 0.539701088416} Si1 2 1
14 {} {0.194798077336 0.454846381424 0.494030139456} Si2 3 1
14 {} {0.35473122347 0.309868241297 0.523161146606} Si3 4 1
8 {} {0.447185942105 0.583968033388 0.435649120953} O 5 1
1 {} {0.319128965789 0.658368588807 0.552989588315} H1 6 1
1 {} {0.437433530365 0.540895629518 0.635502554743} H2 7 1
1 {} {0.170260803833 0.575604968327 0.491264039351} H3 8 1
1 {} {0.143366320324 0.397677311915 0.584215085871} H4 9 1
1 {} {0.170224503911 0.402286693851 0.385338375515} H5 10 1
1 {} {0.416926403854 0.288764533333 0.428181768739} H6 11 1
1 {} {0.278948911743 0.229302240385 0.515327944044} H7 12 1
1 {} {0.404547815199 0.291650832128 0.629582281601} H8 13 1
1 {} {0.426966885946 0.601301735201 0.362971591355} H10 14 1
7 {} {0.726143729094 0.50672943569 0.552213100936} N3 15 1
14 {} {0.687116511896 0.488872218834 0.415430214886} Si4 16 1
14 {} {0.82888012294 0.568091322069 0.579312747426} Si5 17 1
14 {} {0.661543159466 0.456404568651 0.662309580423} Si6 18 1
7 {} {0.577087595011 0.462156129468 0.419508608803} N4 19 1
1 {} {0.711245278512 0.591561665644 0.353069615695} H11 20 1
1 {} {0.728649302108 0.390177755348 0.361461601683} H12 21 1
1 {} {0.873903698032 0.591099157948 0.470374320852} H13 22 1
1 {} {0.887730058297 0.492818628617 0.646582403205} H14 23 1
1 {} {0.820278310393 0.675823398616 0.641775271986} H15 24 1
1 {} {0.578328412283 0.522038723027 0.681033962219} H16 25 1
1 {} {0.718112821886 0.467307808648 0.765199648305} H17 26 1
1 {} {0.637110183063 0.336680629552 0.647823686154} H18 27 1
1 {} {0.549420517753 0.391556571149 0.38624446696} H19 28 1
1 {} {0.527217706357 0.521932764973 0.428417911278} 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