#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 {} {0.848280304316 0.307039526461 0.0630224025191} Si1 1 0.0 1 14 {} {0.84868648621 0.385126272554 0.444607545096} Si2 2 0.0 1 14 {} {0.0981502165716 0.306970625781 0.193059960795} Si3 3 0.0 1 14 {} {0.0985006131554 0.383113958011 0.317905959874} Si4 4 0.0 1 14 {} {0.855780629008 0.541144222116 0.435769318408} Si5 5 0.0 1 14 {} {0.103261338091 0.537254943924 0.307322714509} Si6 6 0.0 1 14 {} {0.848475700788 0.458283718625 0.06551508362} Si7 7 0.0 1 14 {} {0.84465364993 0.229183701131 0.442144248661} Si8 8 0.0 1 14 {} {0.0990827875503 0.458269571098 0.192837129131} Si9 9 0.0 1 14 {} {0.0945971546539 0.228507369499 0.313995694983} Si10 10 0.0 1 8 {} {0.35212013214 0.592292292778 0.52156612921} O1 11 0.0 1 14 {} {0.34403171026 0.657686976897 0.525955891941} Si11 12 0.0 1 8 {} {0.112041422261 0.589503788063 0.211607399076} O2 13 0.0 1 1 {} {0.0121538529201 0.59348993149 0.151478547437} H1 14 0.0 1 8 {} {0.333718460965 0.177777628156 0.54122198387} O3 15 0.0 1 1 {} {0.93287770714 0.174744329843 0.601725552118} H2 16 0.0 1 8 {} {0.083543921223 0.176868208402 0.216031776775} O4 17 0.0 1 1 {} {0.182514536022 0.173320381312 0.155872967908} H3 18 0.0 1 14 {} {0.848390369811 0.307610713199 0.564373822701} Si12 19 0.0 1 14 {} {0.849148689016 0.383542164181 0.938995873093} Si13 20 0.0 1 14 {} {0.0983241186263 0.308038885204 0.693731944594} Si14 21 0.0 1 14 {} {0.0994068586951 0.386160822192 0.812281870818} Si15 22 0.0 1 14 {} {0.850411401161 0.536822375418 0.949917526673} Si16 23 0.0 1 14 {} {0.0985284335386 0.53907537166 0.824828771977} Si17 24 0.0 1 14 {} {0.850187860773 0.464020964791 0.561988886151} Si18 25 0.0 1 14 {} {0.844647876708 0.228433255726 0.942799067028} Si19 26 0.0 1 14 {} {0.0994136239796 0.464635904426 0.692344274555} Si20 27 0.0 1 14 {} {0.0946943406815 0.229333561805 0.814911673375} Si21 28 0.0 1 8 {} {0.36140887526 0.588842471031 0.0462027230812} O5 29 0.0 1 1 {} {0.261773760559 0.593473848713 0.106432868524} H4 30 0.0 1 8 {} {0.117598612531 0.59813152667 0.752382294175} O6 31 0.0 1 1 {} {0.0363746105175 0.625646521856 0.728044907232} H5 32 0.0 1 8 {} {0.333613077762 0.176873649479 0.0410896842778} O7 33 0.0 1 1 {} {0.932659401756 0.173428432705 0.101334589193} H6 34 0.0 1 8 {} {0.0838175331385 0.178505790705 0.714672785906} O8 35 0.0 1 1 {} {0.183170098701 0.174980715609 0.65466875523} H7 36 0.0 1 14 {} {0.34812929431 0.307021359303 0.0630930574132} Si22 37 0.0 1 14 {} {0.348993099496 0.384727230863 0.444118461772} Si23 38 0.0 1 14 {} {0.598259107586 0.307040091283 0.192910231477} Si24 39 0.0 1 14 {} {0.599096492702 0.383211999298 0.317694701043} Si25 40 0.0 1 14 {} {0.35356586447 0.538944430776 0.433423930188} Si26 41 0.0 1 14 {} {0.605696462268 0.53851022131 0.309009829198} Si27 42 0.0 1 14 {} {0.350306152104 0.458160228399 0.0664704747032} Si28 43 0.0 1 14 {} {0.344666202656 0.228995516873 0.442072807413} Si29 44 0.0 1 14 {} {0.600249008708 0.459021810553 0.194924514151} Si30 45 0.0 1 14 {} {0.594666642397 0.228550707062 0.313873845381} Si31 46 0.0 1 8 {} {0.850885676085 0.594623461522 0.523981366793} O9 47 0.0 1 1 {} {0.944127497554 0.621252765092 0.523614453195} H8 48 0.0 1 8 {} {0.614962532922 0.589439147583 0.209619612964} O10 49 0.0 1 1 {} {0.513237861255 0.593678120629 0.150852127111} H9 50 0.0 1 8 {} {0.833653958414 0.178057549993 0.54152798097} O11 51 0.0 1 1 {} {0.432802550201 0.174446458811 0.601490267535} H10 52 0.0 1 8 {} {0.5838219657 0.176914136102 0.215886389167} O12 53 0.0 1 1 {} {0.682713927325 0.17339463469 0.155631476926} H11 54 0.0 1 14 {} {0.348153788621 0.307368319093 0.564347095224} Si32 55 0.0 1 14 {} {0.349337445256 0.383557834235 0.939299354127} Si33 56 0.0 1 14 {} {0.598269007282 0.307778988351 0.693440767128} Si34 57 0.0 1 14 {} {0.599240353241 0.385675130397 0.812316510685} Si35 58 0.0 1 14 {} {0.349369782604 0.536637172446 0.951240861508} Si36 59 0.0 1 14 {} {0.598142021033 0.539819372291 0.822537431929} Si37 60 0.0 1 14 {} {0.349820396815 0.463158236204 0.562683057266} Si38 61 0.0 1 14 {} {0.344595409616 0.228422282955 0.94288489762} Si39 62 0.0 1 14 {} {0.60012205484 0.463998083945 0.692151551998} Si40 63 0.0 1 14 {} {0.594594176707 0.229193680062 0.814911236699} Si41 64 0.0 1 8 {} {0.86205895926 0.589374162447 0.0441187214539} O13 65 0.0 1 1 {} {0.762466084291 0.593450557927 0.104925869429} H12 66 0.0 1 8 {} {0.592903931566 0.59479649951 0.74279483586} O14 67 0.0 1 14 {} {0.599700334602 0.659976206247 0.740207435386} Si42 68 0.0 1 8 {} {0.833794309605 0.176897411315 0.0410384172279} O15 69 0.0 1 1 {} {0.432618167713 0.173362357323 0.101235047683} H13 70 0.0 1 8 {} {0.583669513679 0.178320697275 0.714830753865} O16 71 0.0 1 1 {} {0.682970223623 0.174928087789 0.654725626913} H14 72 0.0 1 7 {} {0.464266525471 0.686392683689 0.636530083895} N 73 0.0 1 1 {} {0.454291564315 0.730153130613 0.641094099987} H16 74 0.0 1 9 {} {0.803569913466 0.67432646265 0.721483277304} F4 75 0.0 1 9 {} {0.362384884663 0.680724503817 0.386108083772} F5 76 0.0 1 9 {} {0.556044181067 0.680683275798 0.876016896191} F3 77 0.0 1 9 {} {0.140422374177 0.668193311672 0.551466706775} F1 78 0.0 1 9 {} {0.428921134064 0.791533888168 0.663963760415} F2 79 0.0 1 9 {} {0.568441676014 0.761587684385 0.535060799786} 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