#MD System 2.0 @Title neb0_image05 @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 6 {} {0.212938659901 0.527280495265 0.322490593135} C1 1 1 14 {} {0.266853081426 0.490282761185 0.280713681621} Si1 2 1 14 {} {0.166236103118 0.535716435586 0.241523740809} Si2 3 1 8 {} {0.279447211164 0.523297529979 0.182870075698} O1 4 1 8 {} {0.306803929855 0.510602781576 0.351669692717} O2 5 1 6 {} {0.264882141951 0.397094536659 0.273692816938} C2 6 1 6 {} {0.134692790038 0.456023255802 0.223782195599} C3 7 1 8 {} {0.190703417584 0.561642112901 0.147225458454} O3 8 1 8 {} {0.130880716126 0.596823208686 0.268510735844} O4 9 1 14 {} {0.358266139609 0.539507646853 0.356761475954} Si3 10 1 7 {} {0.392856722719 0.476479096301 0.398509990395} N1 11 1 14 {} {0.447143661161 0.474710373063 0.356894544935} Si4 12 1 14 {} {0.372637100855 0.42231128961 0.481280886015} Si5 13 1 7 {} {0.34352280811 0.460178940354 0.566677076901} N2 14 1 7 {} {0.468121519901 0.555101338966 0.361550334742} N3 15 1 1 {} {0.201313818191 0.498663229055 0.38096732374} H1 16 1 1 {} {0.220781820356 0.578125299995 0.346652821493} H2 17 1 1 {} {0.253944624616 0.543494191811 0.152119267756} H3 18 1 1 {} {0.259725238393 0.374087022247 0.339515848161} H4 19 1 1 {} {0.296598714206 0.378055605721 0.246941579139} H5 20 1 1 {} {0.238101810034 0.380014131792 0.228983348929} H6 21 1 1 {} {0.108179163664 0.462259685847 0.173731720264} H7 22 1 1 {} {0.119150490631 0.438312507892 0.285972904291} H8 23 1 1 {} {0.157087532115 0.416215456794 0.200160418925} H9 24 1 1 {} {0.172195861138 0.584717138587 0.104024790547} H10 25 1 1 {} {0.102496676989 0.584480124822 0.294572841981} H11 26 1 1 {} {0.374686379822 0.559468693166 0.266934084516} H12 27 1 1 {} {0.357183641183 0.598339660307 0.417849873466} H13 28 1 1 {} {0.471499996032 0.422954643797 0.409896603731} H14 29 1 1 {} {0.449553359614 0.457242577547 0.260183174575} H15 30 1 1 {} {0.341211619101 0.373227225039 0.440924961654} H16 31 1 1 {} {0.412152215433 0.388135416969 0.52041776076} H17 32 1 1 {} {0.311904794276 0.4766796732 0.555627735651} H18 33 1 1 {} {0.359542433448 0.490614735486 0.610612728629} H19 34 1 1 {} {0.492149452033 0.569379891168 0.317400617432} H20 35 1 1 {} {0.473783598973 0.577036853866 0.421736903627} H21 36 1 6 {} {0.647499425929 0.638711963516 0.490117727324} C4 37 1 14 {} {0.608194400801 0.574895882356 0.442564525426} Si6 38 1 14 {} {0.644924808832 0.725241922224 0.445231526549} Si7 39 1 8 {} {0.605240113251 0.583124558172 0.333002670496} O5 40 1 8 {} {0.627541968353 0.499977794532 0.466511723757} O6 41 1 6 {} {0.551521197009 0.58121750974 0.49290881207} C5 42 1 6 {} {0.597348006768 0.775665178377 0.490032643127} C6 43 1 8 {} {0.640590721052 0.714442019636 0.33482183612} O7 44 1 8 {} {0.692568622678 0.766589896844 0.460907267175} O8 45 1 14 {} {0.638152794722 0.422111658197 0.438703205591} Si8 46 1 7 {} {0.592776120054 0.369825634593 0.456531751961} N4 47 1 14 {} {0.573221775195 0.32076471604 0.368305180975} Si9 48 1 14 {} {0.56811857732 0.366597105179 0.563456565132} Si10 49 1 7 {} {0.603291220841 0.385343854497 0.649847316839} N5 50 1 7 {} {0.608195223252 0.257891190506 0.330805161605} N6 51 1 1 {} {0.643173548071 0.640073445641 0.563140092156} H22 52 1 1 {} {0.681510942278 0.619894331114 0.477682221809} H23 53 1 1 {} {0.617747479779 0.625242684384 0.31085194093} H24 54 1 1 {} {0.551290218541 0.57125548691 0.56507976961} H25 55 1 1 {} {0.530306716555 0.54331226818 0.461017408549} H26 56 1 1 {} {0.536565710838 0.630685303241 0.480924465492} H27 57 1 1 {} {0.596581611755 0.826089796462 0.460613443753} H28 58 1 1 {} {0.599393934059 0.781194538101 0.562973927743} H29 59 1 1 {} {0.565280792421 0.751528698466 0.474840770787} H30 60 1 1 {} {0.648645389281 0.751802023497 0.296843396599} H31 61 1 1 {} {0.692893809007 0.801624226009 0.505580616038} H32 62 1 1 {} {0.649627864846 0.417069216252 0.341888098199} H33 63 1 1 {} {0.677278495634 0.401788269574 0.493433740512} H34 64 1 1 {} {0.531462883916 0.288732649692 0.401142336085} H35 65 1 1 {} {0.56505601377 0.363519363513 0.288803334302} H36 66 1 1 {} {0.530836622762 0.416024792223 0.569670115389} H37 67 1 1 {} {0.550897743194 0.29711390522 0.574985278656} H38 68 1 1 {} {0.609848895904 0.433865468668 0.665143855041} H39 69 1 1 {} {0.630293391396 0.356293561373 0.663332599273} H40 70 1 1 {} {0.632831799447 0.269077782416 0.28662605673} H41 71 1 1 {} {0.617739769621 0.220158689133 0.372106154674} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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