#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 {} {-0.922547721093 0.980987087215 0.641581410607} N1 1 1 14 {} {-3.91304952363 3.31358915694 3.77078222826} Si1 2 1 14 {} {-0.747273153003 1.06086850267 0.491480084472} Si2 3 1 14 {} {-0.565380204906 1.12020872163 0.836411930535} Si3 4 1 8 {} {-8.85356547591 13.4406485086 -0.610097326753} O 5 1 1 {} {-2.90811795542 1.62504041741 3.30494534415} H1 6 1 1 {} {-1.49204585813 1.65550628561 -0.823688750363} H2 7 1 1 {} {-0.65758364786 1.13475406119 0.398464671607} H3 8 1 1 {} {-1.1570278428 0.895941199483 0.81275496404} H4 9 1 1 {} {-0.885778712117 0.805351989352 0.0588293701769} H5 10 1 1 {} {-0.725220405189 0.744143762419 0.338716769984} H6 11 1 1 {} {-0.701174891646 0.551184543113 0.737267331974} H7 12 1 1 {} {-0.326887029805 0.757844110741 0.833177738648} H8 13 1 1 {} {-4.00241993513 3.31672040024 -0.463776808974} H10 14 1 7 {} {1.96042070151 -0.344005515314 -0.218511519474} N3 15 1 14 {} {4.19000142276 -1.9885247763 -0.183096409335} Si4 16 1 14 {} {1.79619737411 0.116835644615 0.585342217653} Si5 17 1 14 {} {2.02746213661 -0.239522765494 0.330826992262} Si6 18 1 7 {} {5.47466312014 -5.58443583595 0.435126672428} N4 19 1 1 {} {1.8295283329 -0.801565825452 0.634914231711} H11 20 1 1 {} {4.66736957684 -0.684612040829 -0.535166728553} H12 21 1 1 {} {1.78266102212 0.183487925346 0.369783336287} H13 22 1 1 {} {2.03004562966 -0.0932872338139 0.75190046491} H14 23 1 1 {} {1.818913383 0.35193695078 0.778850207672} H15 24 1 1 {} {1.88611085714 -0.21929196265 0.688618794113} H16 25 1 1 {} {1.49618520115 -0.185927297862 0.739557425819} H17 26 1 1 {} {1.45733492861 -0.340122713627 0.736578652806} H18 27 1 1 {} {3.85167069387 -2.9894307161 -0.649648740787} H19 28 1 1 {} {6.5547932295 -4.79355898669 0.314487492284} 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