#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 {} {0.848035300782 0.306845263796 0.0632415939466} Si1 1 0.0 1 14 {} {0.84837333255 0.385077851797 0.444658906587} Si2 2 0.0 1 14 {} {0.0978691934238 0.306827398725 0.193131418459} Si3 3 0.0 1 14 {} {0.0982618660472 0.383011692703 0.317987919429} Si4 4 0.0 1 14 {} {0.854729338093 0.540827007028 0.435119749313} Si5 5 0.0 1 14 {} {0.10328904932 0.537160832045 0.307975420008} Si6 6 0.0 1 14 {} {0.848838630803 0.458085800013 0.0653239011546} Si7 7 0.0 1 14 {} {0.844369488184 0.229010073298 0.442048753279} Si8 8 0.0 1 14 {} {0.0990546264427 0.458185242359 0.192985184498} Si9 9 0.0 1 14 {} {0.0943896879333 0.228355734159 0.314160540362} Si10 10 0.0 1 8 {} {0.357009142344 0.592743578814 0.520261541469} O1 11 0.0 1 14 {} {0.346691473292 0.657455396868 0.524036266577} Si11 12 0.0 1 8 {} {0.111830192475 0.589517952269 0.212253191771} O2 13 0.0 1 1 {} {0.0119374911221 0.593281542007 0.152027648934} H1 14 0.0 1 8 {} {0.333481092291 0.177684755906 0.541426966674} O3 15 0.0 1 1 {} {0.932722256537 0.174636048876 0.601894941568} H2 16 0.0 1 8 {} {0.0833324841202 0.176701378906 0.216044072976} O4 17 0.0 1 1 {} {0.182324792126 0.173198877157 0.155874769339} H3 18 0.0 1 14 {} {0.848011056272 0.30745938538 0.564293185683} Si12 19 0.0 1 14 {} {0.849137445249 0.383273476577 0.938988133898} Si13 20 0.0 1 14 {} {0.0980129296208 0.307704338871 0.693421023715} Si14 21 0.0 1 14 {} {0.0991573981263 0.385731354098 0.812119171167} Si15 22 0.0 1 14 {} {0.850068483381 0.536686407756 0.949373278715} Si16 23 0.0 1 14 {} {0.098174132097 0.539602795271 0.824133715304} Si17 24 0.0 1 14 {} {0.849956547971 0.463943971884 0.562429954779} Si18 25 0.0 1 14 {} {0.844386112661 0.228266766864 0.94278664828} Si19 26 0.0 1 14 {} {0.0990803371536 0.464313425917 0.692665663478} Si20 27 0.0 1 14 {} {0.0943943790035 0.229098046406 0.814990773434} Si21 28 0.0 1 8 {} {0.361004324426 0.588736460197 0.0461328061118} O5 29 0.0 1 1 {} {0.261434434265 0.593301191298 0.106295178345} H4 30 0.0 1 8 {} {0.115321694559 0.596697396798 0.747349392007} O6 31 0.0 1 1 {} {0.0255806285993 0.624215719592 0.733422095356} H5 32 0.0 1 8 {} {0.333347203964 0.176639087044 0.0411029862688} O7 33 0.0 1 1 {} {0.932435921 0.173287113187 0.101416347166} H6 34 0.0 1 8 {} {0.0835602363205 0.178170453512 0.714836793587} O8 35 0.0 1 1 {} {0.18290626308 0.17475437178 0.654778625551} H7 36 0.0 1 14 {} {0.347838139988 0.306813202361 0.0632879672748} Si22 37 0.0 1 14 {} {0.348705773692 0.384746211157 0.444251418747} Si23 38 0.0 1 14 {} {0.597956484263 0.306786421358 0.192924389193} Si24 39 0.0 1 14 {} {0.598776239055 0.382981266474 0.31768945106} Si25 40 0.0 1 14 {} {0.354464554194 0.538815418136 0.433139140639} Si26 41 0.0 1 14 {} {0.60551321086 0.537675525145 0.308138793082} Si27 42 0.0 1 14 {} {0.34945776833 0.457977294076 0.0660033950969} Si28 43 0.0 1 14 {} {0.344489576267 0.228868408083 0.44199400034} Si29 44 0.0 1 14 {} {0.599861356515 0.458464590267 0.193713994646} Si30 45 0.0 1 14 {} {0.59445172299 0.228300709843 0.313947998876} Si31 46 0.0 1 8 {} {0.846548190092 0.595240364162 0.520429108774} O9 47 0.0 1 1 {} {0.94194202494 0.621058772503 0.5213269899} H8 48 0.0 1 8 {} {0.614445768459 0.589055887267 0.209790993073} O10 49 0.0 1 1 {} {0.512810013162 0.593228858406 0.150972826264} H9 50 0.0 1 8 {} {0.833458336353 0.177907603912 0.541695710712} O11 51 0.0 1 1 {} {0.432618449769 0.174401612648 0.601691445007} H10 52 0.0 1 8 {} {0.583571325138 0.176623643366 0.215875550023} O12 53 0.0 1 1 {} {0.682468082907 0.17317639485 0.155585564784} H11 54 0.0 1 14 {} {0.347962998399 0.307269495193 0.564315403876} Si32 55 0.0 1 14 {} {0.348867378653 0.383263918967 0.939214449387} Si33 56 0.0 1 14 {} {0.598007445771 0.307578956862 0.693343388156} Si34 57 0.0 1 14 {} {0.599022058335 0.385418812984 0.81245136398} Si35 58 0.0 1 14 {} {0.34837783944 0.536542706257 0.950468163501} Si36 59 0.0 1 14 {} {0.597615122986 0.539338673459 0.823640923152} Si37 60 0.0 1 14 {} {0.349511379443 0.463177875301 0.563155265289} Si38 61 0.0 1 14 {} {0.344273162334 0.228244673854 0.94285858377} Si39 62 0.0 1 14 {} {0.599861546924 0.46376906729 0.692385114377} Si40 63 0.0 1 14 {} {0.594323382983 0.229033288288 0.815050284079} Si41 64 0.0 1 8 {} {0.862070682275 0.589243378146 0.0442648644304} O13 65 0.0 1 1 {} {0.76226330339 0.593240394575 0.104809127016} H12 66 0.0 1 8 {} {0.592048087108 0.594565310829 0.7426254238} O14 67 0.0 1 14 {} {0.601356282925 0.659164921244 0.740196100527} Si42 68 0.0 1 8 {} {0.833573988517 0.176674788103 0.041074397039} O15 69 0.0 1 1 {} {0.432376388571 0.17317620164 0.101262152804} H13 70 0.0 1 8 {} {0.583441900468 0.178097403793 0.714937515517} O16 71 0.0 1 1 {} {0.682764896931 0.174774330261 0.654810602906} H14 72 0.0 1 7 {} {0.468166403994 0.686750598386 0.634392844733} N 73 0.0 1 1 {} {0.456696717693 0.727109155638 0.640567842005} H16 74 0.0 1 9 {} {0.805763760118 0.673227470589 0.721321356603} F4 75 0.0 1 9 {} {0.37666147669 0.680651491449 0.385809926651} F5 76 0.0 1 9 {} {0.559015204609 0.680865913808 0.875433134282} F3 77 0.0 1 9 {} {0.142602498363 0.669323495344 0.544421961625} F1 78 0.0 1 9 {} {0.425480353503 0.792847032158 0.665946118412} F2 79 0.0 1 9 {} {0.572052426318 0.778474581105 0.552047724865} 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