1097 lines
87 KiB
Plaintext
1097 lines
87 KiB
Plaintext
LAMMPS data file, 360 water molecules
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1080 atoms
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2 atom types
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0.0 2.2695686722465727E+01 xlo xhi
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0.0 2.3586033624598713E+01 ylo yhi
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0.0 2.2237130028217017E+01 zlo zhi
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Masses
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1 1.00794
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2 15.9994
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Atoms # atomic
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1 2 1.7548118361224624E+01 7.3699168122955889E+00 5.5591101411055377E-01
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2 1 1.7052018361224619E+01 7.5604368122955892E+00 1.3882600141105546E+00
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3 1 1.8473918361224619E+01 7.4162968122955890E+00 8.4111101411055411E-01
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4 2 9.1706683612246138E+00 1.2915816812295594E+01 2.5107200141105555E+00
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5 1 9.7830883612246140E+00 1.2151816812295593E+01 2.3347500141105550E+00
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6 1 9.1892283612246164E+00 1.3443216812295594E+01 1.6591000141105545E+00
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7 2 1.8399218361224623E+01 1.7424016812295601E+01 6.5473300141105586E+00
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8 1 1.8345918361224623E+01 1.8268716812295594E+01 7.0339200141105591E+00
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9 1 1.9026818361224624E+01 1.6834816812295600E+01 7.0045500141105599E+00
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10 2 5.7216883612246123E+00 1.6305516812295600E+01 1.0104620014110562E+01
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11 1 6.2668083612246122E+00 1.5517116812295598E+01 9.8182400141105628E+00
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12 1 6.2385083612246124E+00 1.6937316812295599E+01 1.0608050014110562E+01
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13 2 1.1317118361224615E+01 1.1227616812295592E+01 1.5996300141105546E+00
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14 1 1.1296018361224618E+01 1.0203716812295591E+01 1.7394500141105549E+00
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15 1 1.1304118361224615E+01 1.1323916812295593E+01 6.1680301411055383E-01
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16 2 7.8280183612246139E+00 2.2671316812295601E+01 4.2759600141105567E+00
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17 1 7.1177183612246129E+00 2.2216116812295603E+01 3.7208400141105566E+00
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18 1 8.3989583612246133E+00 2.2791416812295601E+01 3.4672900141105565E+00
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19 2 4.3278983612246105E+00 8.5704868122955897E+00 1.9742050014110571E+01
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20 1 5.3082183612246112E+00 8.2615268122955889E+00 1.9662550014110568E+01
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21 1 4.0620583612246106E+00 8.0321368122955903E+00 2.0571250014110571E+01
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22 2 1.7732618361224624E+01 1.5933416812295597E+01 1.9881550014110569E+01
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23 1 1.8279418361224621E+01 1.5600716812295596E+01 2.0596350014110573E+01
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24 1 1.6762718361224621E+01 1.5919016812295597E+01 2.0129250014110571E+01
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25 2 8.8204883612246157E+00 2.0042116812295600E+01 1.5762450014110566E+01
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26 1 7.9101683612246143E+00 1.9947516812295600E+01 1.6194150014110569E+01
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27 1 9.2758283612246135E+00 1.9487716812295599E+01 1.6447350014110569E+01
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28 2 1.1361918361224616E+01 1.2958816812295595E+01 1.5721550014110568E+01
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29 1 1.0710518361224615E+01 1.3138916812295594E+01 1.6487150014110568E+01
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30 1 1.1182418361224618E+01 1.2046616812295593E+01 1.5544250014110565E+01
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31 2 9.0853583612246158E+00 1.8028316812295600E+01 1.3540150014110566E+01
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32 1 9.0982483612246146E+00 1.8864216812295595E+01 1.4036250014110564E+01
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33 1 9.8956783612246166E+00 1.8073516812295594E+01 1.3050750014110566E+01
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34 2 3.3490983612246099E+00 1.3145316812295595E+01 2.1514250014110569E+01
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35 1 3.9414483612246105E+00 1.3751716812295594E+01 2.2021150014110574E+01
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36 1 3.6130383612246102E+00 1.3223816812295594E+01 2.0535850014110569E+01
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37 2 6.4411883612246124E+00 7.5546068122955887E+00 1.2406250014110563E+01
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38 1 6.4110583612246135E+00 7.3084268122955889E+00 1.1455550014110564E+01
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39 1 5.9502783612246120E+00 6.8079868122955887E+00 1.2882150014110564E+01
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40 2 3.1816283612246097E+00 1.3743768122955837E+00 1.8410650014110569E+01
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41 1 2.7456683612246096E+00 1.9753168122955844E+00 1.7761550014110568E+01
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42 1 3.3321183612246101E+00 6.4900681229558332E-01 1.7765450014110570E+01
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43 2 1.1615018361224617E+01 8.3421868122955907E+00 9.3717400141105607E+00
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44 1 1.1505118361224616E+01 9.2703268122955897E+00 8.9617500141105602E+00
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45 1 1.1720018361224618E+01 8.5827868122955895E+00 1.0287050014110562E+01
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46 2 1.6212718361224624E+01 1.6780668122955840E+00 1.1987450014110564E+01
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47 1 1.6817418361224618E+01 9.2842081229558349E-01 1.2089350014110565E+01
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48 1 1.6302618361224624E+01 1.6888668122955843E+00 1.0949350014110564E+01
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49 2 5.7806183612246125E+00 2.3120416812295598E+01 5.7535201411055370E-01
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50 1 6.0597183612246122E+00 2.2879416812295602E+01 2.1923350014110571E+01
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51 1 6.1737883612246121E+00 3.7587181229558303E-01 7.5628401411055390E-01
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52 2 6.9870736122460764E-01 4.4018468122955863E+00 2.0745450014110574E+01
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53 1 1.0849233612246079E+00 5.0078768122955868E+00 2.1326650014110573E+01
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54 1 1.1343483612246081E+00 3.5552568122955859E+00 2.0739850014110569E+01
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55 2 1.2474018361224617E+01 1.8462716812295600E+01 4.2626300141105569E+00
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56 1 1.2631218361224617E+01 1.9451616812295601E+01 4.1598600141105573E+00
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57 1 1.1535518361224616E+01 1.8339216812295600E+01 3.8941600141105570E+00
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58 2 1.4727518361224622E+01 1.1649916812295594E+01 1.2720850014110564E+01
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59 1 1.4211718361224619E+01 1.2472216812295594E+01 1.2857350014110564E+01
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60 1 1.4256618361224620E+01 1.1143516812295591E+01 1.1963750014110564E+01
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61 2 1.8643018361224620E+01 3.1526568122955854E+00 3.3192500141105561E+00
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62 1 1.8497618361224625E+01 2.1786668122955843E+00 3.1363400141105560E+00
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63 1 1.8226818361224623E+01 3.7471968122955857E+00 2.7182100141105558E+00
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64 2 5.9526383612246123E+00 9.9064868122955918E+00 1.3675050014110566E+01
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65 1 5.8703483612246119E+00 9.1964268122955914E+00 1.2998350014110564E+01
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66 1 5.6200083612246123E+00 9.5717168122955893E+00 1.4553850014110566E+01
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67 2 2.0547618361224622E+01 1.4953616812295596E+01 7.4909000141105597E+00
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68 1 1.9810418361224624E+01 1.4276716812295595E+01 7.7369400141105604E+00
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69 1 2.0538518361224622E+01 1.4842716812295595E+01 6.5215100141105582E+00
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70 2 5.6182883612246117E+00 1.0935616812295592E+01 2.1309550014110577E+01
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71 1 5.1210983612246110E+00 1.0201616812295592E+01 2.0927650014110572E+01
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72 1 5.0231983612246101E+00 1.1682816812295593E+01 2.1195250014110574E+01
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73 2 7.3994883612246127E+00 1.6590716812295597E+01 1.6644200141105545E+00
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74 1 7.4832983612246133E+00 1.5764316812295597E+01 1.1037010141105541E+00
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75 1 6.4615483612246125E+00 1.6884716812295594E+01 1.5901700141105546E+00
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76 2 1.6481618361224619E+01 6.8669468122955886E+00 8.1942200141105612E+00
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77 1 1.6842218361224624E+01 6.6571868122955893E+00 7.3171500141105605E+00
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78 1 1.6662118361224621E+01 7.9103168122955898E+00 8.3926300141105603E+00
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79 2 3.8240283612246104E+00 7.4557268122955893E+00 2.2081450014110569E+01
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80 1 3.9996383612246107E+00 8.2127468122955900E+00 4.4258201411055370E-01
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81 1 4.3794783612246118E+00 6.7752768122955889E+00 3.0601401411055357E-01
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82 2 1.8206818361224624E+01 1.8675116812295599E+01 2.2143550014110573E+01
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83 1 1.9050418361224622E+01 1.8625316812295598E+01 3.1911901411055360E-01
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84 1 1.7785918361224624E+01 1.7838316812295595E+01 3.0735001411055357E-01
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85 2 4.7481983612246115E+00 2.2139016812295598E+01 1.2766950014110565E+01
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86 1 4.8718083612246117E+00 2.1795616812295602E+01 1.1856350014110564E+01
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87 1 3.9089883612246101E+00 2.2636316812295600E+01 1.2895850014110565E+01
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88 2 1.5071218361224622E+01 1.5644016812295597E+01 2.1116550014110569E+01
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89 1 1.5525518361224620E+01 1.5499516812295598E+01 2.1939550014110573E+01
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90 1 1.4560118361224619E+01 1.4829216812295597E+01 2.0911550014110574E+01
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91 2 3.5850483612246102E+00 2.0238968122955843E+00 1.4329950014110565E+01
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92 1 4.5822683612246102E+00 2.0182468122955846E+00 1.4489350014110565E+01
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93 1 3.3075483612246099E+00 1.7417468122955844E+00 1.3412850014110566E+01
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94 2 9.3287883612246159E+00 1.0948916812295593E+01 1.7445050014110571E+01
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95 1 9.1849283612246140E+00 1.0964816812295592E+01 1.6497450014110569E+01
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96 1 1.0208518361224616E+01 1.0560116812295592E+01 1.7467750014110571E+01
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97 2 1.6917518361224623E+01 1.6216116812295596E+01 1.2336000141105543E+00
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98 1 1.7640918361224621E+01 1.5569416812295596E+01 1.1444600141105543E+00
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99 1 1.6626918361224618E+01 1.6336716812295599E+01 2.2021100141105552E+00
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100 2 1.3679818361224619E+01 1.7129816812295594E+01 1.1430150014110563E+01
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101 1 1.3887318361224619E+01 1.7170416812295599E+01 1.0468250014110565E+01
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102 1 1.4096718361224619E+01 1.7968216812295598E+01 1.1805550014110564E+01
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103 2 1.3326318361224619E+01 2.0612716812295599E+01 1.9289650014110574E+01
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104 1 1.3880018361224620E+01 2.1380416812295604E+01 1.9637050014110574E+01
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105 1 1.3969718361224619E+01 2.0031816812295599E+01 1.8864850014110566E+01
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106 2 1.3102818361224617E+01 9.7449768122955920E+00 4.8646700141105574E+00
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107 1 1.3259018361224618E+01 8.7793068122955891E+00 4.8787300141105581E+00
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108 1 1.2297018361224618E+01 1.0037396812295592E+01 5.2867800141105574E+00
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109 2 1.3561218361224620E+01 1.0125528122955836E+00 1.7365550014110568E+01
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110 1 1.4132118361224620E+01 1.2935668122955839E+00 1.6589150014110565E+01
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111 1 1.3566118361224619E+01 1.3040812295582734E-02 1.7411450014110571E+01
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112 2 2.5471083612246090E+00 7.7398068122955896E+00 1.1637550014110564E+01
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113 1 2.9179683612246090E+00 8.1217068122955887E+00 1.2434250014110564E+01
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114 1 1.6739383612246084E+00 7.2966168122955892E+00 1.1887150014110563E+01
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115 2 1.1800218361224616E+01 4.8194781229558314E-01 2.1326750014110569E+01
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116 1 1.2170218361224618E+01 2.3460816812295601E+01 2.1940950014110573E+01
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117 1 1.0818818361224615E+01 3.7687481229558306E-01 2.1407550014110573E+01
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118 2 1.7245383612246086E+00 2.0642416812295608E+01 1.5474450014110568E+01
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119 1 7.5602036122460758E-01 2.0577716812295602E+01 1.5232950014110566E+01
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120 1 2.0120183612246088E+00 1.9757816812295598E+01 1.5778550014110568E+01
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121 2 2.1498018361224627E+01 2.3493416812295607E+01 1.3820250014110565E+01
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122 1 2.1494718361224624E+01 2.2471216812295598E+01 1.3868050014110564E+01
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123 1 2.1258518361224628E+01 8.0412312295582794E-02 1.2930450014110564E+01
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124 2 6.7655083612246134E+00 2.2767416812295608E+01 1.4699650014110565E+01
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125 1 6.0001183612246125E+00 2.2567816812295604E+01 1.4021650014110564E+01
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126 1 7.6516483612246144E+00 2.2636816812295606E+01 1.4157950014110565E+01
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127 2 3.3906536122460723E-01 1.0326888122955835E+00 1.6208950014110570E+01
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128 1 2.2390518361224629E+01 1.6853768122955841E+00 1.6668350014110565E+01
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129 1 2.2469018361224627E+01 7.4193681229558339E-01 1.5376250014110568E+01
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130 2 1.9926618361224623E+01 1.0603116812295591E+01 6.2471900141105587E+00
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131 1 1.9651418361224625E+01 1.0742616812295591E+01 7.1974200141105591E+00
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132 1 2.0326818361224621E+01 9.7091568122955891E+00 6.2972500141105590E+00
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133 2 1.4065418361224619E+01 9.6032968122955911E+00 1.0851650014110565E+01
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134 1 1.4888018361224619E+01 9.4829868122955894E+00 1.0347850014110563E+01
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135 1 1.3995918361224620E+01 8.8324168122955911E+00 1.1424350014110564E+01
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136 2 1.9120918361224621E+01 9.2330968122955923E+00 1.4397850014110565E+01
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137 1 1.9273018361224622E+01 9.3574668122955913E+00 1.5329650014110568E+01
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138 1 1.8336218361224628E+01 9.7577868122955902E+00 1.4209550014110565E+01
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139 2 9.2747583612246132E+00 3.3802168122955858E+00 2.1921150014110570E+01
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140 1 9.7027183612246155E+00 4.2624668122955862E+00 2.1965550014110573E+01
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141 1 9.9842883612246158E+00 2.9253568122955849E+00 2.1379850014110570E+01
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142 2 9.0611683612246132E+00 2.2742216812295599E+01 1.2904350014110564E+01
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143 1 8.4974083612246147E+00 2.2879016812295600E+01 1.2165450014110563E+01
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144 1 9.7257783612246165E+00 2.2033816812295601E+01 1.2587850014110565E+01
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145 2 1.5256683612246082E+00 2.1530416812295606E+01 7.1578800141105594E+00
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146 1 8.7799836122460773E-01 2.2234616812295606E+01 7.2577600141105592E+00
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147 1 2.3075883612246093E+00 2.2010816812295598E+01 6.8841200141105583E+00
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148 2 1.6081118361224622E+01 1.6021916812295597E+01 1.6166550014110570E+01
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149 1 1.6522018361224625E+01 1.5180316812295597E+01 1.6454250014110571E+01
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150 1 1.5401218361224620E+01 1.5769416812295598E+01 1.5483250014110567E+01
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151 2 1.7749018361224625E+01 1.3835416812295595E+01 1.7934850014110566E+01
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152 1 1.7619418361224618E+01 1.2996016812295593E+01 1.8357350014110569E+01
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153 1 1.7710318361224626E+01 1.4526716812295595E+01 1.8693350014110564E+01
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154 2 1.0784218361224616E+01 2.0789668122955844E+00 3.1584400141105560E+00
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155 1 1.0978818361224617E+01 1.9034768122955845E+00 4.0827400141105574E+00
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156 1 1.0457118361224616E+01 3.0216968122955854E+00 3.1455400141105558E+00
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157 2 9.4666183612246151E+00 1.3795016812295595E+01 1.8255150014110573E+01
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158 1 9.2739483612246154E+00 1.2816116812295595E+01 1.8237050014110565E+01
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159 1 1.0024898361224613E+01 1.3849816812295595E+01 1.9041350014110570E+01
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160 2 1.6607718361224620E+01 9.5926568122955906E+00 8.3610000141105605E+00
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161 1 1.7489618361224622E+01 1.0033886812295592E+01 8.5949700141105598E+00
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162 1 1.6081218361224622E+01 1.0086916812295589E+01 7.6766200141105605E+00
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163 2 2.4720583612246085E+00 9.5096768122955897E+00 7.5596600141105599E+00
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164 1 3.3352983612246097E+00 1.0003256812295591E+01 7.6921700141105598E+00
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165 1 1.8756683612246088E+00 9.8285368122955923E+00 8.2621300141105607E+00
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166 2 1.3606518361224618E+01 4.4837168122955875E+00 1.9624350014110568E+01
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167 1 1.4283518361224617E+01 3.7681568122955857E+00 1.9538550014110569E+01
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168 1 1.2702218361224618E+01 4.1496568122955866E+00 1.9708550014110568E+01
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169 2 1.1041018361224618E+01 1.7860416812295597E+01 1.1277550014110563E+01
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170 1 1.1982418361224617E+01 1.7497016812295602E+01 1.1127350014110561E+01
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171 1 1.0792418361224616E+01 1.8262616812295597E+01 1.0475950014110563E+01
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172 2 7.0982883612246130E+00 2.3566768122955843E+00 1.2506050014110563E+01
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173 1 6.3155683612246118E+00 2.7857868122955849E+00 1.2136750014110564E+01
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174 1 6.9544283612246129E+00 1.4878268122955838E+00 1.2027550014110563E+01
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175 2 2.2461118361224624E+01 1.7223816812295595E+01 3.7853700141105566E+00
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|
1072 2 1.8242218361224626E+01 2.9008968122955854E+00 1.5903950014110567E+01
|
|
1073 1 1.8887118361224626E+01 2.5084568122955848E+00 1.5204150014110565E+01
|
|
1074 1 1.8162418361224624E+01 2.1789868122955851E+00 1.6617050014110568E+01
|
|
1075 2 3.9899383612246102E+00 1.9364416812295598E+01 1.3871050014110565E+01
|
|
1076 1 4.3833283612246108E+00 2.0252516812295600E+01 1.3695350014110566E+01
|
|
1077 1 3.1540783612246095E+00 1.9562116812295599E+01 1.4347050014110566E+01
|
|
1078 2 7.0537683612246127E+00 1.4620616812295594E+01 6.4024900141105583E+00
|
|
1079 1 7.6585583612246131E+00 1.3942216812295593E+01 6.0279100141105584E+00
|
|
1080 1 6.2108683612246125E+00 1.4238816812295596E+01 6.6619400141105594E+00
|