#MD System 2.0 @Title neb0_image00 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Freeze int 0 Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.13004269 0.12683662 0.38566652} 7 Si1 1 0.0 1 14 {} {0.37571184 0.12073517 0.30680226} 7 Si2 2 0.0 1 14 {} {0.302471272603 0.0875062028849 0.608537760362} 0 Si3 3 0.0 1 14 {} {0.1024219 0.39428009 0.14932701} 7 Si4 4 0.0 1 14 {} {0.09541774 0.37873419 0.46221791} 7 Si5 5 0.0 1 14 {} {0.35346116 0.36762209 0.2282802} 7 Si6 6 0.0 1 14 {} {0.346800319965 0.34331012791 0.535879413566} 0 Si7 7 0.0 1 8 {} {0.07346452 0.01399343 0.10300415} 7 O1 8 0.0 1 8 {} {0.08337909 0.02751215 0.43814045} 7 O2 9 0.0 1 8 {} {0.30335071 0.23953339 0.26806649} 7 O3 10 0.0 1 8 {} {0.295533396511 0.185566330841 0.551800025447} 0 O4 11 0.0 1 8 {} {0.15629441 0.26745267 0.10725334} 7 O5 12 0.0 1 8 {} {0.15806415 0.27534628 0.41464149} 7 O6 13 0.0 1 8 {} {0.42005073 0.4883528 0.26754391} 7 O7 14 0.0 1 8 {} {0.361265820008 0.43465447196 0.594356150842} 0 O8 15 0.0 1 8 {} {0.46706248 0.30769951 0.18374382} 7 O9 16 0.0 1 8 {} {0.4503217 0.37371012 0.48031311} 7 O10 17 0.0 1 8 {} {0.22459574 0.43428344 0.19405882} 7 O11 18 0.0 1 8 {} {0.201544636337 0.407614457525 0.512655005241} 0 O12 19 0.0 1 8 {} {0.26922028 0.06903388 0.35595224} 7 O13 20 0.0 1 8 {} {0.152814065099 0.0661658274206 0.638108366253} 0 O14 21 0.0 1 8 {} {0.01589383 0.14347484 0.3357843} 7 O15 22 0.0 1 8 {} {0.898149411868 0.227984412487 0.658837092078} 0 O16 23 0.0 1 14 {} {0.130848 0.62796108 0.38162465} 7 Si8 24 0.0 1 14 {} {0.38160468 0.62103107 0.30631277} 7 Si9 25 0.0 1 14 {} {0.328441613934 0.587974300452 0.617392330954} 0 Si10 26 0.0 1 14 {} {0.11550856 0.89279477 0.14623402} 7 Si11 27 0.0 1 14 {} {0.09027985 0.8727663 0.46321465} 7 Si12 28 0.0 1 14 {} {0.36161259 0.86852582 0.22814554} 7 Si13 29 0.0 1 14 {} {0.348170060941 0.838244904844 0.539217540576} 0 Si14 30 0.0 1 8 {} {0.0526689 0.51911201 0.10936736} 7 O17 31 0.0 1 8 {} {0.07278031 0.52586796 0.43092495} 7 O18 32 0.0 1 8 {} {0.31020359 0.74093258 0.26789003} 7 O19 33 0.0 1 8 {} {0.38062179089 0.687916316534 0.565539452849} 0 O20 34 0.0 1 8 {} {0.16768258 0.76139398 0.10631188} 7 O21 35 0.0 1 8 {} {0.14592557 0.77706627 0.41178302} 7 O22 36 0.0 1 8 {} {0.42363512 0.99102411 0.26795759} 7 O23 37 0.0 1 8 {} {0.379065423049 0.94553153284 0.590879752285} 0 O24 38 0.0 1 8 {} {0.4784802 0.80817939 0.18525142} 7 O25 39 0.0 1 8 {} {0.44172141 0.86901782 0.48329582} 7 O26 40 0.0 1 8 {} {0.2354014 0.93375915 0.19182948} 7 O27 41 0.0 1 8 {} {0.189303933158 0.860935872312 0.519283081571} 0 O28 42 0.0 1 8 {} {0.27896411 0.57614662 0.35807972} 7 O29 43 0.0 1 8 {} {0.03061046 0.64108441 0.32664364} 7 O30 44 0.0 1 8 {} {0.912505614547 0.531546998446 0.680018338738} 0 O31 45 0.0 1 14 {} {0.62678798 0.16997203 0.38638045} 7 Si15 46 0.0 1 14 {} {0.87145882 0.09568495 0.30785189} 7 Si16 47 0.0 1 14 {} {0.814983191554 0.120741128252 0.616843997901} 0 Si17 48 0.0 1 14 {} {0.59865848 0.3657824 0.14818907} 7 Si18 49 0.0 1 14 {} {0.60201154 0.42146182 0.46063627} 7 Si19 50 0.0 1 14 {} {0.84889419 0.34433038 0.2291379} 7 Si20 51 0.0 1 14 {} {0.841230378042 0.352064694165 0.535860338527} 0 Si21 52 0.0 1 8 {} {0.55985367 0.98659211 0.10417284} 7 O32 53 0.0 1 8 {} {0.57743099 0.07903933 0.44115938} 7 O33 54 0.0 1 8 {} {0.81931904 0.19369528 0.25614838} 7 O34 55 0.0 1 8 {} {0.786731877131 0.200545444249 0.556301695771} 0 O35 56 0.0 1 8 {} {0.65238064 0.23560504 0.10793596} 7 O36 57 0.0 1 8 {} {0.66069784 0.32347211 0.40987064} 7 O37 58 0.0 1 8 {} {0.88096586 0.44366926 0.28321766} 7 O38 59 0.0 1 8 {} {0.92795291564 0.425722141369 0.585674684092} 0 O39 60 0.0 1 8 {} {0.97700497 0.32810289 0.18555444} 7 O40 61 0.0 1 8 {} {0.94834439 0.32527632 0.48678481} 7 O41 62 0.0 1 8 {} {0.71815393 0.40409256 0.19420854} 7 O42 63 0.0 1 8 {} {0.708328829369 0.434205251931 0.514226425578} 0 O43 64 0.0 1 8 {} {0.76069086 0.09628474 0.35948827} 7 O44 65 0.0 1 8 {} {0.667489332203 0.100275354005 0.650276023801} 0 O45 66 0.0 1 8 {} {0.51014684 0.18474002 0.33758201} 7 O46 67 0.0 1 8 {} {0.393472919356 0.153923533215 0.661148517908} 0 O47 68 0.0 1 14 {} {0.63416668 0.67559786 0.38479645} 7 Si22 69 0.0 1 14 {} {0.87785627 0.60140173 0.30472595} 7 Si23 70 0.0 1 14 {} {0.816465368553 0.654071928985 0.649451237464} 0 Si24 71 0.0 1 14 {} {0.60596507 0.86630801 0.14725146} 7 Si25 72 0.0 1 14 {} {0.59203173 0.92165403 0.46287674} 7 Si26 73 0.0 1 14 {} {0.85899178 0.847082 0.22608629} 7 Si27 74 0.0 1 14 {} {0.843976168239 0.854408924657 0.544414191416} 0 Si28 75 0.0 1 8 {} {0.55608608 0.48778516 0.10538013} 7 O48 76 0.0 1 8 {} {0.5897549 0.57780977 0.43772928} 7 O49 77 0.0 1 8 {} {0.82804375 0.69447392 0.25108943} 7 O50 78 0.0 1 8 {} {0.845321356475 0.716355510613 0.584657659889} 0 O51 79 0.0 1 8 {} {0.65649653 0.73465272 0.10717211} 7 O52 80 0.0 1 8 {} {0.65032956 0.8295077 0.41059182} 7 O53 81 0.0 1 8 {} {0.89145424 0.943397 0.28123409} 7 O54 82 0.0 1 8 {} {0.887421195329 0.977211848293 0.593752792947} 0 O55 83 0.0 1 8 {} {0.98699272 0.83340502 0.18252706} 7 O56 84 0.0 1 8 {} {0.93854038 0.82738445 0.48566859} 7 O57 85 0.0 1 8 {} {0.72866083 0.90832185 0.19129422} 7 O58 86 0.0 1 8 {} {0.695509223762 0.904552869662 0.518892934143} 0 O59 87 0.0 1 8 {} {0.77810657 0.62080984 0.35943792} 7 O60 88 0.0 1 8 {} {0.665027135396 0.583795322398 0.645184867138} 0 O61 89 0.0 1 8 {} {0.52207217 0.68023045 0.33387737} 7 O62 90 0.0 1 8 {} {0.412538687893 0.589017568779 0.678584522384} 0 O63 91 0.0 1 1 {} {0.10504279 0.11085008 0.10711263} 7 H1 92 0.0 1 1 {} {0.20161583 0.29660556 0.07239204} 7 H2 93 0.0 1 1 {} {0.09783099 0.61088924 0.10940759} 7 H3 94 0.0 1 1 {} {0.21192978 0.78691571 0.07071069} 7 H4 95 0.0 1 1 {} {0.59424752 0.08272086 0.10788994} 7 H5 96 0.0 1 1 {} {0.69099098 0.26285387 0.07143291} 7 H6 97 0.0 1 1 {} {0.59451783 0.58242316 0.10816195} 7 H7 98 0.0 1 1 {} {0.69647969 0.76058793 0.07075622} 7 H8 99 0.0 1 14 {} {0.964886804967 0.385054699969 0.651493002123} 0 Si29 100 0.0 1 14 {} {0.543522246803 0.218031670895 0.647205065068} 0 Si30 101 0.0 1 8 {} {0.571427064422 0.35007640912 0.687743899918} 0 O64 102 0.0 1 14 {} {0.560787821902 0.518624718332 0.692678801549} 0 Si31 103 0.0 1 8 {} {0.537939557829 0.258629167532 0.578579074886} 0 O65 104 0.0 1 1 {} {0.615178450844 0.221447653608 0.556363960179} 0 H9 105 0.0 1 1 {} {0.0823116522239 0.00964546474311 0.620009383586} 0 H10 106 0.0 1 8 {} {0.826069953936 0.775032955021 0.697782541214} 0 O66 107 0.0 1 1 {} {0.765244656154 0.853453366706 0.69377559494} 0 H11 108 0.0 1 8 {} {0.120820150903 0.367711403785 0.67492884366} 0 O67 109 0.0 1 1 {} {0.151457063267 0.272272184436 0.677432810379} 0 H12 110 0.0 1 8 {} {0.172832572253 0.639995852565 0.631509829164} 0 O68 111 0.0 1 1 {} {0.13457901467 0.607716818257 0.667526955532} 0 H13 112 0.0 1 8 {} {0.594404735027 0.56237129214 0.758770544132} 0 O69 113 0.0 1 1 {} {0.686469304626 0.547229612283 0.773470855616} 0 H14 114 0.0 1 8 {} {0.342379055826 0.710623781045 0.80331054552} 0 O70 115 0.0 1 1 {} {0.430411270184 0.662739760737 0.804751484448} 0 H15 116 0.0 1 1 {} {0.319379970261 0.704519434852 0.762970082853} 0 H16 117 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} {9.74432 9.74432 23.42768 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{9.74432 0 0} {0 9.74432 0} {0 0 23.42768}} {{0.102623887557 0 0} {0 0.102623887557 0} {0 0 0.0426845509244}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 76 68 0 0 49 16 0 0 16 6 0 0 57 45 0 0 84 74 0 0 71 52 0 0 61 4 0 0 35 27 0 0 102 88 0 0 60 50 0 0 81 46 0 0 95 52 0 0 39 29 0 0 13 5 0 0 21 0 0 0 46 21 0 0 43 23 0 0 59 51 0 0 103 100 0 0 26 7 0 0 17 5 0 0 37 29 0 0 66 45 0 0 32 28 0 0 70 44 0 0 77 73 0 0 105 20 0 0 80 72 0 0 48 15 0 0 58 50 0 0 12 0 0 0 17 3 0 0 40 26 0 0 85 71 0 0 55 47 0 0 40 28 0 0 27 8 0 0 90 25 0 0 31 23 0 0 19 0 0 0 14 6 0 0 42 23 0 0 82 74 0 0 37 2 0 0 93 30 0 0 63 51 0 0 79 71 0 0 8 0 0 0 57 49 0 0 76 49 0 0 25 14 0 0 33 25 0 0 106 70 0 0 65 47 0 0 78 70 0 0 89 24 0 0 67 2 0 0 75 48 0 0 31 4 0 0 96 56 0 0 101 100 0 0 87 69 0 0 84 27 0 0 10 2 0 0 94 34 0 0 69 58 0 0 77 69 0 0 107 106 0 0 10 6 0 0 53 45 0 0 109 108 0 0 36 28 0 0 87 68 0 0 35 23 0 0 61 51 0 0 82 47 0 0 80 68 0 0 18 6 0 0 89 68 0 0 33 29 0 0 78 74 0 0 81 73 0 0 108 99 0 0 69 43 0 0 102 101 0 0 18 4 0 0 41 27 0 0 54 50 0 0 86 72 0 0 56 48 0 0 41 29 0 0 104 103 0 0 9 1 0 0 32 24 0 0 92 11 0 0 9 5 0 0 112 102 0 0 72 53 0 0 110 25 0 0 91 7 0 0 111 110 0 0 34 26 0 0 113 112 0 0 19 1 0 0 42 24 0 0 115 114 0 0 64 46 0 0 11 3 0 0 30 3 0 0 85 73 0 0 47 22 0 0 60 3 0 0 54 46 0 0 97 75 0 0 66 1 0 0 88 70 0 0 99 59 0 0 83 26 0 0 24 13 0 0 99 44 0 0 64 45 0 0 98 79 0 0 55 51 0 0 71 38 0 0 15 5 0 0 100 67 0 0 100 65 0 0 62 48 0 0 12 4 0 0 86 74 0 0 20 2 0 0 62 50 0 0 38 28 0 0 116 114 0 0 83 73 0 0 72 39 0 0 99 22 0 0 63 49 0 0 36 1 0 0 102 90 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 68 76 {0 0 0} 0 1 16 49 {0 0 0} 0 2 6 16 {0 0 0} 0 3 45 57 {0 0 0} 0 4 74 84 {0 0 0} 0 5 52 71 {0 0 0} 0 6 4 61 {-1 0 0} 0 7 35 27 {0 0 0} 0 8 102 88 {0 0 0} 0 9 50 60 {0 0 0} 0 10 81 46 {0 1 0} 0 11 52 95 {0 1 0} 0 12 39 29 {0 0 0} 0 13 13 5 {0 0 0} 0 14 0 21 {0 0 0} 0 15 21 46 {-1 0 0} 0 16 23 43 {0 0 0} 0 17 59 51 {0 0 0} 0 18 100 103 {0 0 0} 0 19 7 26 {0 -1 0} 0 20 17 5 {0 0 0} 0 21 29 37 {0 0 0} 0 22 66 45 {0 0 0} 0 23 28 32 {0 0 0} 0 24 44 70 {0 0 0} 0 25 73 77 {0 0 0} 0 26 20 105 {0 0 0} 0 27 80 72 {0 0 0} 0 28 48 15 {0 0 0} 0 29 50 58 {0 0 0} 0 30 12 0 {0 0 0} 0 31 3 17 {0 0 0} 0 32 26 40 {0 0 0} 0 33 71 85 {0 0 0} 0 34 55 47 {0 0 0} 0 35 40 28 {0 0 0} 0 36 8 27 {0 -1 0} 0 37 90 25 {0 0 0} 0 38 31 23 {0 0 0} 0 39 0 19 {0 0 0} 0 40 6 14 {0 0 0} 0 41 23 42 {0 0 0} 0 42 74 82 {0 0 0} 0 43 37 2 {0 1 0} 0 44 30 93 {0 0 0} 0 45 51 63 {0 0 0} 0 46 79 71 {0 0 0} 0 47 0 8 {0 0 0} 0 48 49 57 {0 0 0} 0 49 49 76 {0 0 0} 0 50 25 14 {0 0 0} 0 51 25 33 {0 0 0} 0 52 106 70 {0 0 0} 0 53 47 65 {0 0 0} 0 54 70 78 {0 0 0} 0 55 89 24 {0 0 0} 0 56 2 67 {0 0 0} 0 57 75 48 {0 0 0} 0 58 31 4 {0 0 0} 0 59 96 56 {0 0 0} 0 60 100 101 {0 0 0} 0 61 87 69 {0 0 0} 0 62 84 27 {1 0 0} 0 63 2 10 {0 0 0} 0 64 34 94 {0 0 0} 0 65 69 58 {0 0 0} 0 66 69 77 {0 0 0} 0 67 106 107 {0 0 0} 0 68 10 6 {0 0 0} 0 69 45 53 {0 0 0} 0 70 108 109 {0 0 0} 0 71 36 28 {0 0 0} 0 72 87 68 {0 0 0} 0 73 35 23 {0 0 0} 0 74 51 61 {0 0 0} 0 75 82 47 {0 1 0} 0 76 80 68 {0 0 0} 0 77 18 6 {0 0 0} 0 78 68 89 {0 0 0} 0 79 29 33 {0 0 0} 0 80 74 78 {0 0 0} 0 81 81 73 {0 0 0} 0 82 99 108 {1 0 0} 0 83 43 69 {-1 0 0} 0 84 102 101 {0 0 0} 0 85 4 18 {0 0 0} 0 86 27 41 {0 0 0} 0 87 50 54 {0 0 0} 0 88 72 86 {0 0 0} 0 89 56 48 {0 0 0} 0 90 41 29 {0 0 0} 0 91 104 103 {0 0 0} 0 92 1 9 {0 0 0} 0 93 32 24 {0 0 0} 0 94 11 92 {0 0 0} 0 95 5 9 {0 0 0} 0 96 112 102 {0 0 0} 0 97 53 72 {0 -1 0} 0 98 110 25 {0 0 0} 0 99 7 91 {0 0 0} 0 100 111 110 {0 0 0} 0 101 26 34 {0 0 0} 0 102 113 112 {0 0 0} 0 103 1 19 {0 0 0} 0 104 24 42 {0 0 0} 0 105 115 114 {0 0 0} 0 106 64 46 {0 0 0} 0 107 3 11 {0 0 0} 0 108 3 30 {0 0 0} 0 109 85 73 {0 0 0} 0 110 47 22 {0 0 0} 0 111 60 3 {1 0 0} 0 112 46 54 {0 0 0} 0 113 97 75 {0 0 0} 0 114 66 1 {0 0 0} 0 115 88 70 {0 0 0} 0 116 59 99 {0 0 0} 0 117 26 83 {-1 0 0} 0 118 13 24 {0 0 0} 0 119 44 99 {0 0 0} 0 120 64 45 {0 0 0} 0 121 98 79 {0 0 0} 0 122 51 55 {0 0 0} 0 123 71 38 {0 0 0} 0 124 15 5 {0 0 0} 0 125 100 67 {0 0 0} 0 126 65 100 {0 0 0} 0 127 48 62 {0 0 0} 0 128 4 12 {0 0 0} 0 129 86 74 {0 0 0} 0 130 2 20 {0 0 0} 0 131 62 50 {0 0 0} 0 132 28 38 {0 0 0} 0 133 114 116 {0 0 0} 0 134 73 83 {0 0 0} 0 135 72 39 {0 0 0} 0 136 22 99 {0 0 0} 0 137 49 63 {0 0 0} 0 138 1 36 {0 -1 0} 0 139 90 102 {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