#MD System 2.0 @Title neb0_image03 @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 {} {0.848467799586 0.307210879673 0.0630487693458} Si1 1 0.0 1 14 {} {0.848881833087 0.38526331368 0.444880180955} Si2 2 0.0 1 14 {} {0.0984446861997 0.307092265182 0.193139647066} Si3 3 0.0 1 14 {} {0.0986325503809 0.383343464817 0.318097182935} Si4 4 0.0 1 14 {} {0.856072473065 0.540954652357 0.436773131126} Si5 5 0.0 1 14 {} {0.103343916496 0.537497352619 0.307474440461} Si6 6 0.0 1 14 {} {0.850586269325 0.458938206861 0.0645765728733} Si7 7 0.0 1 14 {} {0.845206252754 0.229347725794 0.442137814457} Si8 8 0.0 1 14 {} {0.0995049810933 0.458478053184 0.193088072864} Si9 9 0.0 1 14 {} {0.0950969615788 0.228597951259 0.314032346216} Si10 10 0.0 1 8 {} {0.353706617212 0.592940563969 0.522687108593} O1 11 0.0 1 14 {} {0.332240428436 0.657289694017 0.52843296961} Si11 12 0.0 1 8 {} {0.110989719599 0.589763943114 0.211878513998} O2 13 0.0 1 1 {} {0.0112651373993 0.593352591991 0.151328371737} H1 14 0.0 1 8 {} {0.334228449636 0.177994653694 0.541102363136} O3 15 0.0 1 1 {} {0.933247367279 0.174775892239 0.601513846479} H2 16 0.0 1 8 {} {0.0839233377796 0.176895064559 0.216054187546} O4 17 0.0 1 1 {} {0.18282410275 0.173352543305 0.155850218898} H3 18 0.0 1 14 {} {0.848935002628 0.307719808016 0.564634753811} Si12 19 0.0 1 14 {} {0.849441071797 0.383904240107 0.939048289695} Si13 20 0.0 1 14 {} {0.0990656058601 0.308354704264 0.693856109101} Si14 21 0.0 1 14 {} {0.0994297736552 0.386594059372 0.812239357898} Si15 22 0.0 1 14 {} {0.850905878751 0.537805699102 0.949050424097} Si16 23 0.0 1 14 {} {0.102061263102 0.541560769682 0.824714552371} Si17 24 0.0 1 14 {} {0.850077528778 0.463968417776 0.562904300222} Si18 25 0.0 1 14 {} {0.845154330309 0.228515255549 0.942573362748} Si19 26 0.0 1 14 {} {0.0991194540469 0.465330637929 0.693369027479} Si20 27 0.0 1 14 {} {0.0952823074233 0.229465843192 0.814793548755} Si21 28 0.0 1 8 {} {0.362927492443 0.588784730447 0.0474333710389} O5 29 0.0 1 1 {} {0.262323446319 0.593849627773 0.106405247923} H4 30 0.0 1 8 {} {0.12559604081 0.598958156723 0.753607804236} O6 31 0.0 1 1 {} {0.0279249687553 0.62209282796 0.735988282679} H5 32 0.0 1 8 {} {0.334066906673 0.176905238034 0.0410284599929} O7 33 0.0 1 1 {} {0.933008705066 0.173445297889 0.101172677891} H6 34 0.0 1 8 {} {0.0842753330075 0.178573392385 0.714569020186} O8 35 0.0 1 1 {} {0.183570103519 0.17502837407 0.654528160889} H7 36 0.0 1 14 {} {0.348310302388 0.30706068256 0.0630321193552} Si22 37 0.0 1 14 {} {0.348784397468 0.385428464208 0.444590655825} Si23 38 0.0 1 14 {} {0.598301342039 0.30718283 0.193146967772} Si24 39 0.0 1 14 {} {0.599041880869 0.383595716281 0.317903525696} Si25 40 0.0 1 14 {} {0.353946372188 0.540009620718 0.434320397115} Si26 41 0.0 1 14 {} {0.606509652641 0.538331110826 0.308695648662} Si27 42 0.0 1 14 {} {0.350514030486 0.458034453693 0.0671365124572} Si28 43 0.0 1 14 {} {0.345144779285 0.229296022024 0.442013548485} Si29 44 0.0 1 14 {} {0.601859065046 0.459014932768 0.19342135928} Si30 45 0.0 1 14 {} {0.595146340274 0.228658847773 0.314074881869} Si31 46 0.0 1 8 {} {0.853959601188 0.593531697378 0.527295529601} O9 47 0.0 1 1 {} {0.938688271213 0.622211139537 0.518490550634} H8 48 0.0 1 8 {} {0.614379521372 0.590154956667 0.211985884785} O10 49 0.0 1 1 {} {0.513100678416 0.594015518002 0.152717669763} H9 50 0.0 1 8 {} {0.834052196102 0.178088217424 0.541333134296} O11 51 0.0 1 1 {} {0.433369113345 0.174519901933 0.601253513286} H10 52 0.0 1 8 {} {0.58421448044 0.176992482018 0.215984533765} O12 53 0.0 1 1 {} {0.68309873094 0.173515434962 0.155725013844} H11 54 0.0 1 14 {} {0.348657265898 0.307803761319 0.564180320649} Si32 55 0.0 1 14 {} {0.349205793197 0.383691246182 0.93937321534} Si33 56 0.0 1 14 {} {0.598575484632 0.307916048014 0.693469771804} Si34 57 0.0 1 14 {} {0.599185328373 0.385801364007 0.812417462317} Si35 58 0.0 1 14 {} {0.350605552539 0.536519226393 0.952267218718} Si36 59 0.0 1 14 {} {0.598393898329 0.539415346992 0.824464166058} Si37 60 0.0 1 14 {} {0.348880648502 0.463822090821 0.563296657967} Si38 61 0.0 1 14 {} {0.34514889402 0.228461080494 0.942665879803} Si39 62 0.0 1 14 {} {0.599377644713 0.464089579303 0.69253552733} Si40 63 0.0 1 14 {} {0.595077779544 0.229276457371 0.814744552935} Si41 64 0.0 1 8 {} {0.86177480901 0.589978753144 0.0448411784789} O13 65 0.0 1 1 {} {0.761550767593 0.594235043247 0.104820126939} H12 66 0.0 1 8 {} {0.593872792051 0.594319635135 0.743571738391} O14 67 0.0 1 14 {} {0.59701984781 0.658959288661 0.743253271621} Si42 68 0.0 1 8 {} {0.834099541311 0.176947980964 0.0409385535247} O15 69 0.0 1 1 {} {0.432970735189 0.173443247351 0.101265836837} H13 70 0.0 1 8 {} {0.584190509651 0.178302887145 0.714770664875} O16 71 0.0 1 1 {} {0.683437919944 0.17491083212 0.654629692209} H14 72 0.0 1 7 {} {0.449445965166 0.683716633791 0.643956603771} N 73 0.0 1 1 {} {0.438470828455 0.725887560861 0.650532394561} H16 74 0.0 1 9 {} {0.797732668318 0.674869504416 0.718395893766} F4 75 0.0 1 9 {} {0.365210586743 0.679915603223 0.39302500527} F5 76 0.0 1 9 {} {0.560213066483 0.679422046441 0.880283753987} F3 77 0.0 1 9 {} {0.124975221548 0.66778415598 0.546458491752} F1 78 0.0 1 9 {} {0.454451155662 0.785796231796 0.639634442956} F2 79 0.0 1 9 {} {0.581269019687 0.765560788058 0.513325016305} 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 38 0 0 0 2 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 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 38 {0 0 0} 0 21 0 2 {1 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 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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