#MD System 2.0 @Title neb0_image02 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.848339732685 0.307031169863 0.0632075903807} Si1 1 0.0 1 14 {} {0.848504273744 0.385235056311 0.444847981462} Si2 2 0.0 1 14 {} {0.0982351347041 0.306953287944 0.193189230246} Si3 3 0.0 1 14 {} {0.0982742679905 0.383227243213 0.318088860229} Si4 4 0.0 1 14 {} {0.854854876794 0.54087121981 0.435876265755} Si5 5 0.0 1 14 {} {0.102681620183 0.537164753467 0.307751557231} Si6 6 0.0 1 14 {} {0.850810550068 0.458549736244 0.0647035879006} Si7 7 0.0 1 14 {} {0.844843735424 0.229155340735 0.442089920041} Si8 8 0.0 1 14 {} {0.0992115101398 0.458317166317 0.192975526217} Si9 9 0.0 1 14 {} {0.0947624806354 0.22842209505 0.314198914787} Si10 10 0.0 1 8 {} {0.355400064862 0.592128941869 0.520144771629} O1 11 0.0 1 14 {} {0.336448388602 0.656043075743 0.525759259864} Si11 12 0.0 1 8 {} {0.111230520697 0.589702814768 0.21248690825} O2 13 0.0 1 1 {} {0.0115690091323 0.593246362824 0.152075272731} H1 14 0.0 1 8 {} {0.334011430391 0.177823029031 0.541301203181} O3 15 0.0 1 1 {} {0.93311588015 0.17470165666 0.60173108295} H2 16 0.0 1 8 {} {0.0837719722371 0.176745892952 0.216045495902} O4 17 0.0 1 1 {} {0.182717037938 0.17329912239 0.155810230567} H3 18 0.0 1 14 {} {0.84863033139 0.307594400675 0.564550077731} Si12 19 0.0 1 14 {} {0.849343495616 0.383629339366 0.939014644218} Si13 20 0.0 1 14 {} {0.0987686157315 0.307988902616 0.693518606739} Si14 21 0.0 1 14 {} {0.0992148505306 0.386059074766 0.81216762905} Si15 22 0.0 1 14 {} {0.8511715532 0.537308671061 0.949143475017} Si16 23 0.0 1 14 {} {0.101019292486 0.541253360206 0.823738698846} Si17 24 0.0 1 14 {} {0.850084897411 0.463994322836 0.562937848791} Si18 25 0.0 1 14 {} {0.844843055696 0.228373868891 0.942578539531} Si19 26 0.0 1 14 {} {0.0988148026572 0.464779312883 0.693251715983} Si20 27 0.0 1 14 {} {0.0949737702183 0.22922660144 0.814935610076} Si21 28 0.0 1 8 {} {0.361964690644 0.588757679795 0.0466535890321} O5 29 0.0 1 1 {} {0.262043023126 0.593533892668 0.10628092467} H4 30 0.0 1 8 {} {0.120001356975 0.597786138965 0.748812832488} O6 31 0.0 1 1 {} {0.0206623618864 0.621824551076 0.738887580322} H5 32 0.0 1 8 {} {0.333888509941 0.176734483659 0.0410390024518} O7 33 0.0 1 1 {} {0.932862406843 0.173382865728 0.101264791534} H6 34 0.0 1 8 {} {0.0840655394148 0.178273210687 0.714772949198} O8 35 0.0 1 1 {} {0.183372722758 0.174850944921 0.654669830643} H7 36 0.0 1 14 {} {0.34809937732 0.306912576025 0.0632368996614} Si22 37 0.0 1 14 {} {0.348516421252 0.385050852863 0.444458541078} Si23 38 0.0 1 14 {} {0.598206947748 0.306956125646 0.193049617134} Si24 39 0.0 1 14 {} {0.598730589643 0.383337293173 0.317810175791} Si25 40 0.0 1 14 {} {0.354446343373 0.538590879963 0.4323693784} Si26 41 0.0 1 14 {} {0.606559756031 0.537511942461 0.307807846811} Si27 42 0.0 1 14 {} {0.34961359279 0.457962981915 0.0668000074301} Si28 43 0.0 1 14 {} {0.344814293785 0.229076780835 0.4420144161} Si29 44 0.0 1 14 {} {0.601483608089 0.458518896858 0.192437718011} Si30 45 0.0 1 14 {} {0.594779853433 0.228454207938 0.314174610837} Si31 46 0.0 1 8 {} {0.84821779137 0.594581563009 0.522545482502} O9 47 0.0 1 1 {} {0.94069072682 0.621396013215 0.518287667121} H8 48 0.0 1 8 {} {0.613944222681 0.589684164115 0.211645633914} O10 49 0.0 1 1 {} {0.512785086785 0.593408701204 0.152395828316} H9 50 0.0 1 8 {} {0.833873722933 0.177952987963 0.541529225355} O11 51 0.0 1 1 {} {0.433191164113 0.17450960208 0.601511097836} H10 52 0.0 1 8 {} {0.58394374305 0.176773811022 0.216020974905} O12 53 0.0 1 1 {} {0.682866423103 0.17337839681 0.155750278982} H11 54 0.0 1 14 {} {0.348539040735 0.307556010248 0.56423077398} Si32 55 0.0 1 14 {} {0.348903838361 0.383488951322 0.939313816819} Si33 56 0.0 1 14 {} {0.598453782368 0.307695722771 0.693368595186} Si34 57 0.0 1 14 {} {0.599101088583 0.385455389769 0.812475247088} Si35 58 0.0 1 14 {} {0.348930623492 0.536410844587 0.951488718276} Si36 59 0.0 1 14 {} {0.598273435169 0.538255901675 0.825745087299} Si37 60 0.0 1 14 {} {0.348700848057 0.463245730095 0.56370241761} Si38 61 0.0 1 14 {} {0.344845320413 0.22832260198 0.942685517938} Si39 62 0.0 1 14 {} {0.599555714094 0.463543149872 0.69221083353} Si40 63 0.0 1 14 {} {0.594778659866 0.229127063289 0.814920422151} Si41 64 0.0 1 8 {} {0.861537215292 0.589793035265 0.0443828496929} O13 65 0.0 1 1 {} {0.761675576233 0.593770162099 0.104706069214} H12 66 0.0 1 8 {} {0.593672829932 0.593377486177 0.744408719686} O14 67 0.0 1 14 {} {0.599068556181 0.657655233658 0.743312938092} Si42 68 0.0 1 8 {} {0.833945866207 0.176788365313 0.0409744789986} O15 69 0.0 1 1 {} {0.432814416957 0.173340288436 0.101310711813} H13 70 0.0 1 8 {} {0.583945876152 0.178138284235 0.714903271262} O16 71 0.0 1 1 {} {0.683244808364 0.174822873642 0.654755729867} H14 72 0.0 1 7 {} {0.45872657831 0.682716706701 0.638897612766} N 73 0.0 1 1 {} {0.45165103993 0.723926427776 0.6422865742} H16 74 0.0 1 9 {} {0.800148209154 0.673721436407 0.71995041248} F4 75 0.0 1 9 {} {0.376819900144 0.680617188995 0.39287219729} F5 76 0.0 1 9 {} {0.560679553257 0.679989542365 0.878889052375} F3 77 0.0 1 9 {} {0.130158836602 0.668173555724 0.541381844037} F1 78 0.0 1 9 {} {0.443135949977 0.792229900989 0.651812827194} F2 79 0.0 1 9 {} {0.575463600768 0.784245084067 0.534917247812} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 2 0 0 0 38 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 79 78 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 44 41 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 2 {1 0 0} 0 21 0 38 {0 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 68 33 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 78 79 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 67 74 {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