#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 {} {-0.922649978427 0.981029873228 0.641591073579} N1 1 1 14 {} {-3.91340601636 3.31381401747 3.77105140711} Si1 2 1 14 {} {-0.747349748891 1.06091879652 0.491479709373} Si2 3 1 14 {} {-0.565457043899 1.12027651439 0.836437179302} Si3 4 1 8 {} {-8.85434121612 13.4417131936 -0.610182222533} O 5 1 1 {} {-2.90838141763 1.62512025944 3.30516872586} H1 6 1 1 {} {-1.49220397232 1.65559809441 -0.823807412751} H2 7 1 1 {} {-0.657652486831 1.1348004541 0.39845730938} H3 8 1 1 {} {-1.15713515159 0.895982712365 0.812773473599} H4 9 1 1 {} {-0.885866004728 0.805386075808 0.0588032992306} H5 10 1 1 {} {-0.725315332784 0.744181739608 0.338709928134} H6 11 1 1 {} {-0.701255673017 0.551212084915 0.737285679028} H7 12 1 1 {} {-0.32694773635 0.757882690487 0.833194678358} H8 13 1 1 {} {-4.00278306981 3.316944706 -0.46384574085} H10 14 1 7 {} {1.96052230553 -0.344075320048 -0.218575986965} N3 15 1 14 {} {4.19029323624 -1.98872661233 -0.183146735793} Si4 16 1 14 {} {1.79627633263 0.116796928569 0.585341846456} Si5 17 1 14 {} {2.02757469347 -0.239580848083 0.330799347746} Si6 18 1 7 {} {5.47507039103 -5.58493609637 0.435127929401} N4 19 1 1 {} {1.82962088153 -0.801680824102 0.634938678053} H11 20 1 1 {} {4.66769275279 -0.68470015688 -0.535240087187} H12 21 1 1 {} {1.78273624789 0.183453849358 0.369775365058} H13 22 1 1 {} {2.03013983847 -0.0933352110725 0.751908378856} H14 23 1 1 {} {1.81899624831 0.351909373192 0.778861100928} H15 24 1 1 {} {1.88621952351 -0.219354021494 0.6886196319} H16 25 1 1 {} {1.49624962726 -0.185981645278 0.739555692772} H17 26 1 1 {} {1.45740296306 -0.340178009095 0.736586022976} H18 27 1 1 {} {3.85194182604 -2.98970961599 -0.649734021497} H19 28 1 1 {} {6.5552935689 -4.79400046764 0.314477795598} 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