#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 {} {0.308075045349 0.445693726695 0.518292447479} N1 1 1
14 {} {0.374182976759 0.56146738024 0.541070958776} Si1 2 1
14 {} {0.192722097023 0.456181127539 0.494159253611} Si2 3 1
14 {} {0.353277518962 0.310387586071 0.523561493686} Si3 4 1
8 {} {0.443477884874 0.589191872543 0.436570526971} O 5 1
1 {} {0.316784540041 0.660647355446 0.553644710611} H1 6 1
1 {} {0.435705040652 0.541776757172 0.63553916152} H2 7 1
1 {} {0.168838055088 0.576749770324 0.491434074576} H3 8 1
1 {} {0.141751468756 0.398956977498 0.584373682297} H4 9 1
1 {} {0.168665406961 0.403509943115 0.385400566756} H5 10 1
1 {} {0.415240319452 0.289883290426 0.428216936604} H6 11 1
1 {} {0.277234244688 0.230372846102 0.515464754775} H7 12 1
1 {} {0.402890025344 0.292759148736 0.62971847508} H8 13 1
1 {} {0.424158259704 0.603374627994 0.36091139834} H10 14 1
7 {} {0.727800296871 0.505864261542 0.552214418462} N3 15 1
14 {} {0.689691887264 0.486854138201 0.415316439835} Si4 16 1
14 {} {0.830637166995 0.567179190187 0.579300450669} Si5 17 1
14 {} {0.663288295626 0.45529301057 0.662150745328} Si6 18 1
7 {} {0.578812301311 0.459359944994 0.419154215013} N4 19 1
1 {} {0.71294718499 0.591071800381 0.352817963135} H11 20 1
1 {} {0.731093995388 0.388522939176 0.360710308682} H12 21 1
1 {} {0.875324550618 0.589936310585 0.470226911267} H13 22 1
1 {} {0.889140663429 0.491643803844 0.64634382796} H14 23 1
1 {} {0.821848959113 0.674693144298 0.641629362021} H15 24 1
1 {} {0.579874697722 0.520795640121 0.681026705856} H16 25 1
1 {} {0.719451105985 0.466185775601 0.76490889637} H17 26 1
1 {} {0.638564533413 0.335496321413 0.647740113561} H18 27 1
1 {} {0.551789173119 0.389505773131 0.385909273269} H19 28 1
1 {} {0.531166258248 0.519613877855 0.428612475458} 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