1933 lines
250 KiB
Plaintext
1933 lines
250 KiB
Plaintext
# Bulk.xyz
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config # atoms volume energy DFT energy energy error force DFT force force error
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1 8 198.155287 -38.72456737 -38.72767843 0.0003888825572 1.755713238e-13 0 2.893200725e-14
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# EOS.xyz
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config # atoms volume energy DFT energy energy error force DFT force force error
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2 4 100.2503986 -19.34142674 -19.33946215 0.0004911462934 0.04565337993 0.004696 0.00683032275
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3 4 87.78666244 -18.983314 -18.99216114 0.002211785592 0.1994517896 0.015096 0.03578864207
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4 4 84.97085209 -18.76411856 -18.75980296 0.001078899101 0.1619953737 0.026416 0.03144648198
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5 4 82.52133779 -18.50321445 -18.49408247 0.002282994448 0.05130185005 0.036914 0.01477655515
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6 4 80.35345611 -18.20772333 -18.20222587 0.001374364237 0.07697453041 0.055734 0.003577560935
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7 4 78.40832856 -17.88843959 -17.88899513 0.0001388848212 0.1519278987 0.063452 0.01476695122
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8 4 76.64099144 -17.55374275 -17.55730043 0.0008894191713 0.1761697189 0.080334 0.01602096222
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9 4 75.04528905 -17.21293459 -17.2153404 0.0006014536975 0.1322285491 0.087346 0.007581533627
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10 4 73.54481067 -16.85374202 -16.85354169 5.008274046e-05 0.04703258375 0.104282 0.009607789754
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11 4 95.10547773 -19.28948068 -19.30657301 0.004273081486 0.01297651586 0.007376 0.003417210017
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12 4 91.0912603 -19.16039146 -19.18005062 0.00491478927 0.1328022067 0.009042 0.02366978465
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13 4 133.5525685 -17.83417618 -17.83772988 0.0008884259479 0.08133474848 0.00984 0.0152016449
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14 4 103.4647206 -19.31904724 -19.30159325 0.004363498038 0.01221679937 0.004756 0.001243774576
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15 4 107.3699915 -19.2072034 -19.20780056 0.0001492894487 0.4921796111 0.000514 0.08212016676
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16 4 112.3942784 -19.05532266 -19.02621709 0.007276392493 0.1111288538 0.00049 0.01861533871
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17 4 119.5073443 -18.67789715 -18.68388388 0.001496683735 0.02408411035 0.005468 0.003112825921
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18 8 125 -24.90667002 -24.90732287 8.160608887e-05 5.602273651e-13 0 9.920999207e-14
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19 8 125.751501 -25.33092267 -25.33111609 2.417801117e-05 7.532687023e-13 0 1.157173316e-13
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20 8 125 -34.11923907 -34.11351114 0.000715991289 4.627893611e-14 0 6.598408645e-15
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21 8 126.506008 -25.74589909 -25.74566406 2.937905973e-05 8.27175062e-13 0 1.383314759e-13
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22 8 127.263527 -26.15173792 -26.1510292 8.859048246e-05 7.793669185e-13 0 1.330290045e-13
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23 8 128.024064 -26.54857662 -26.54747446 0.0001377699879 6.749917044e-13 0 1.025510695e-13
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24 8 128.787625 -26.93655141 -26.93512423 0.0001783970799 6.869408756e-13 0 1.069699884e-13
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25 8 129.554216 -27.31579722 -27.3140736 0.0002154526026 8.157736538e-13 0 1.484738258e-13
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26 8 130.323843 -27.68644767 -27.68445805 0.0002487024425 3.529392884e-13 0 6.184867433e-14
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27 8 131.096512 -28.048635 -28.04644254 0.0002740577864 1.045649487e-12 0 1.62330797e-13
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28 8 131.872229 -28.4024901 -28.400158 0.0002915119711 2.511495525e-13 0 4.403422071e-14
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29 8 132.651 -28.74814245 -28.74572124 0.0003026511579 7.50943814e-13 0 1.199214339e-13
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30 8 133.432831 -29.08572019 -29.0832711 0.0003061362166 9.414274071e-13 0 1.468015524e-13
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31 8 132.651 -35.6001809 -35.60415475 0.0004967315664 1.684679359e-13 0 2.741129449e-14
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32 8 134.217728 -29.41535009 -29.41294262 0.0003009331457 9.313562656e-13 0 1.488207705e-13
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33 8 135.005697 -29.73715757 -29.73481243 0.0002931419359 7.260614336e-13 0 1.175032294e-13
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34 8 135.796744 -30.05126675 -30.04902687 0.0002799848414 6.664522062e-13 0 1.044812385e-13
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35 8 136.590875 -30.35780047 -30.35573414 0.0002582914656 7.844334284e-13 0 1.347787622e-13
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36 8 137.388096 -30.65688032 -30.65504269 0.0002297042548 1.106061411e-12 0 1.762062718e-13
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37 8 138.188413 -30.94862668 -30.94704781 0.0001973590385 1.162561721e-12 0 2.021022238e-13
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38 8 138.991832 -31.23315874 -31.23186179 0.0001621193188 5.288149252e-13 0 8.035239141e-14
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39 8 139.798359 -31.51059456 -31.50962505 0.000121188912 7.189014152e-13 0 1.224804401e-13
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40 8 140.608 -31.78105106 -31.78044211 7.611903237e-05 4.786993658e-13 0 7.564550838e-14
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41 8 141.420761 -32.04464407 -32.04448224 2.022936581e-05 7.484514618e-13 0 1.223272062e-13
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42 8 140.608 -36.57287837 -36.57876366 0.0007356614159 2.322411844e-13 0 2.940953663e-14
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43 8 142.236648 -32.30148833 -32.30180778 3.993087107e-05 5.227860684e-13 0 9.776901511e-14
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44 8 143.055667 -32.55169747 -32.55240718 8.871350078e-05 1.05515431e-12 0 1.67759325e-13
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45 8 143.877824 -32.79538401 -32.79646907 0.0001356329388 2.793960671e-13 0 4.322005716e-14
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46 8 144.703125 -33.03265929 -33.0341342 0.0001843639167 4.691294126e-13 0 6.405986852e-14
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47 8 145.531576 -33.26363344 -33.26546078 0.0002284173605 2.860939828e-13 0 4.60557518e-14
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48 8 146.363183 -33.48841526 -33.4905808 0.0002706921705 5.292750414e-13 0 9.586313225e-14
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49 8 147.197952 -33.7071121 -33.70959217 0.0003100084522 4.641456089e-13 0 7.035113233e-14
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50 8 148.035889 -33.9198297 -33.92253789 0.0003385235768 9.154015744e-13 0 1.518576931e-13
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51 8 148.877 -34.126672 -34.12960189 0.0003662363862 8.886634721e-13 0 1.606492717e-13
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52 8 149.721291 -34.32774091 -34.3308093 0.0003835491051 5.419300582e-13 0 7.516209877e-14
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53 8 148.877 -37.12729899 -37.12608044 0.0001523189096 1.190379225e-13 0 1.860607366e-14
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54 8 150.568768 -34.52313606 -34.52629014 0.0003942602807 1.349941145e-12 0 2.246767587e-13
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55 8 151.419437 -34.71295453 -34.71610965 0.0003943900871 3.258498809e-13 0 5.563142539e-14
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56 8 152.273304 -34.89729057 -34.90038699 0.0003870524198 4.822981841e-13 0 7.551366939e-14
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57 8 153.130375 -35.07623534 -35.07920914 0.0003717251108 4.256250036e-13 0 7.239116713e-14
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58 8 153.990656 -35.24987668 -35.25266839 0.0003489638192 7.309834767e-13 0 1.168558884e-13
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59 8 154.854153 -35.41829897 -35.42083938 0.0003175508083 6.866397948e-13 0 1.255754759e-13
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60 8 155.720872 -35.58158309 -35.58377308 0.0002737483228 5.885958224e-13 0 9.23936853e-14
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61 8 156.590819 -35.73980649 -35.74165769 0.0002314002399 6.383582259e-13 0 1.021266405e-13
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62 8 157.464 -35.89304343 -35.89454795 0.0001880652459 5.577372967e-13 0 1.00526069e-13
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63 8 158.340421 -36.04136542 -36.04247856 0.0001391426171 8.804652798e-13 0 1.557180311e-13
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64 8 157.464 -37.32888899 -37.32262953 0.0007824325863 5.290917674e-14 0 8.866972329e-15
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65 8 159.220088 -36.18484178 -36.18557035 9.107150838e-05 5.075844599e-13 0 8.504770962e-14
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66 8 160.103007 -36.32354034 -36.32389911 4.484619118e-05 4.493166539e-13 0 6.744604875e-14
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67 8 160.989184 -36.45752825 -36.45752485 4.249604064e-07 5.175074404e-13 0 7.754445234e-14
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68 8 161.878625 -36.58687275 -36.58655803 3.934046871e-05 3.524369199e-13 0 5.819881614e-14
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69 8 162.771336 -36.71164193 -36.71102998 7.649393269e-05 5.275232967e-13 0 9.1366729e-14
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70 8 163.667323 -36.83190527 -36.83107858 0.0001033358758 3.411768463e-13 0 6.000292855e-14
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71 8 164.566592 -36.94773401 -36.94671248 0.0001276910052 3.471190541e-13 0 5.985489882e-14
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72 8 165.469149 -37.05920127 -37.05803876 0.0001453136232 4.566767697e-13 0 7.728077437e-14
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73 8 166.375 -37.16638187 -37.16514204 0.0001549789827 2.490632377e-13 0 3.58139444e-14
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74 8 167.284151 -37.26935195 -37.26803657 0.0001644225268 6.030825767e-13 0 1.147993737e-13
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75 8 166.375 -37.2361857 -37.23643929 3.16988634e-05 1.140823105e-13 0 1.427042195e-14
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76 8 168.196608 -37.36818837 -37.36679872 0.0001737060709 3.408561747e-13 0 5.469930064e-14
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77 8 169.112377 -37.46296803 -37.46157771 0.0001737895454 2.866751984e-13 0 4.393013731e-14
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78 8 170.031464 -37.55376712 -37.55237754 0.000173697675 2.406044579e-13 0 4.01368753e-14
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79 8 170.953875 -37.64066044 -37.6392704 0.0001737553398 3.470179045e-13 0 5.553196791e-14
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80 8 171.879616 -37.72372075 -37.72232209 0.0001748325341 2.776478283e-13 0 4.937023013e-14
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81 8 172.808693 -37.80301828 -37.80157766 0.000180077691 1.93563683e-13 0 3.018418848e-14
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82 8 173.741112 -37.87862041 -37.87745843 0.0001452472275 3.354940779e-13 0 4.977962487e-14
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83 8 174.676879 -37.95059145 -37.94934999 0.0001551820907 1.573769333e-13 0 2.493607173e-14
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84 8 175.616 -38.01899262 -38.01765923 0.0001666742844 3.909932735e-13 0 6.432817242e-14
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85 8 176.558481 -38.08388217 -38.08244214 0.000180003927 2.773564662e-13 0 4.835021272e-14
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86 8 175.616 -36.91741749 -36.92303918 0.0007027114377 4.962526001e-13 0 9.168204985e-14
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87 8 177.504328 -38.14531553 -38.14373382 0.0001977142077 2.317792589e-13 0 3.936665808e-14
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88 8 178.453547 -38.20334567 -38.20162048 0.0002156487611 2.300437631e-13 0 4.288930322e-14
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89 8 179.406144 -38.25802342 -38.25614712 0.0002345371715 2.508336649e-13 0 4.161254674e-14
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90 8 180.362125 -38.3093979 -38.30736293 0.0002543706734 2.943830345e-13 0 4.910304657e-14
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91 8 181.321496 -38.35751693 -38.35533434 0.0002728241309 2.64116313e-13 0 4.045953387e-14
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92 8 182.284263 -38.4024275 -38.40014053 0.0002858706743 3.826002434e-13 0 6.082865693e-14
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93 8 183.250432 -38.4441761 -38.44178079 0.0002994132732 1.624089326e-13 0 2.615963002e-14
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94 8 184.220009 -38.48280918 -38.48039501 0.0003017716376 2.976407221e-13 0 4.611357592e-14
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95 8 185.193 -38.51837349 -38.51595497 0.0003023145469 2.782833544e-13 0 4.87306954e-14
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96 8 186.169411 -38.55091632 -38.54855587 0.0002950568447 1.565791285e-13 0 2.418204526e-14
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97 8 185.193 -36.42550501 -36.42582461 3.99500447e-05 8.030425918e-14 0 1.108183407e-14
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98 8 187.149248 -38.58048587 -38.57822204 0.0002829782295 3.924940531e-13 0 5.49768564e-14
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99 8 188.132517 -38.60713134 -38.60507996 0.0002564225841 2.404594898e-13 0 4.055610014e-14
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100 8 189.119224 -38.63090321 -38.62911702 0.0002232742748 1.432146976e-13 0 2.536107898e-14
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101 8 190.109375 -38.65185331 -38.65037737 0.0001844929875 2.058447319e-13 0 2.992340172e-14
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102 8 191.102976 -38.67003492 -38.66895988 0.0001343798409 2.053551596e-13 0 3.644827495e-14
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103 8 192.100033 -38.68550281 -38.68491445 7.354473258e-05 2.047410897e-13 0 3.489338448e-14
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104 8 193.100552 -38.69831327 -38.69826028 6.623226766e-06 1.787913666e-13 0 2.97545553e-14
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105 8 194.104539 -38.70852404 -38.70903762 6.419808122e-05 1.57019991e-13 0 2.297091915e-14
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106 8 195.112 -38.71619421 -38.71735037 0.0001445206 1.343075132e-13 0 2.379404544e-14
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107 8 196.122941 -38.72138402 -38.72316577 0.0002227193616 2.85489362e-13 0 4.774768544e-14
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108 8 195.112 -35.78562823 -35.78277343 0.0003568504814 6.65860834e-14 0 9.441186814e-15
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109 8 197.137368 -38.72415456 -38.72661844 0.0003079851201 3.918939865e-13 0 6.447114254e-14
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110 8 198.155287 -38.72456737 -38.72767843 0.0003888825572 1.755713238e-13 0 2.893200725e-14
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111 8 199.176704 -38.72268387 -38.72640441 0.0004650670667 2.244877907e-13 0 3.553190728e-14
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112 8 200.201625 -38.71856472 -38.72284809 0.0005354208432 1.844670901e-13 0 2.948809455e-14
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113 8 201.230056 -38.71226903 -38.71708504 0.0006020015331 3.042578378e-13 0 4.616287098e-14
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114 8 202.262003 -38.70385353 -38.70909826 0.0006555912899 2.114353458e-13 0 3.30261715e-14
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115 8 203.297472 -38.6933718 -38.69896441 0.0006990762018 1.621202703e-13 0 2.546405108e-14
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116 8 204.336469 -38.68087354 -38.68669915 0.0007282016213 1.839685501e-13 0 3.132352233e-14
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117 8 205.379 -38.66640405 -38.67236985 0.0007457250714 1.274178243e-13 0 2.234113095e-14
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118 8 206.425071 -38.650004 -38.65601166 0.0007509570341 2.288265231e-13 0 4.190715045e-14
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119 8 205.379 -35.02381607 -35.02683676 0.0003775861065 3.818153199e-14 0 5.666307848e-15
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120 8 207.474688 -38.63170945 -38.63763952 0.000741258644 1.956750466e-13 0 3.105841655e-14
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121 8 208.527857 -38.61155212 -38.61729887 0.0007183442751 7.589876321e-14 0 1.094913328e-14
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122 8 209.584584 -38.58955988 -38.59504202 0.0006852677877 1.976102415e-13 0 3.30515428e-14
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123 8 210.644875 -38.56575735 -38.57091757 0.0006450276046 1.628772749e-13 0 2.210171475e-14
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124 8 211.708736 -38.54016648 -38.54483207 0.0005831990126 1.906371348e-13 0 3.083640106e-14
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125 8 212.776173 -38.51280713 -38.51692278 0.0005144559565 3.187079923e-13 0 4.592854512e-14
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126 8 213.847192 -38.48369767 -38.48723722 0.0004424438528 1.108271994e-13 0 2.040220522e-14
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127 8 214.921799 -38.45285549 -38.45580608 0.0003688234489 2.274513701e-13 0 4.115428359e-14
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128 8 216 -38.42029761 -38.422684 0.0002982991536 1.504694861e-14 0 1.780982414e-15
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129 8 217.081801 -38.38604116 -38.38786893 0.0002284714773 3.133375452e-13 0 4.567411264e-14
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130 8 216 -34.18748352 -34.18453509 0.0003685538141 2.635502638e-14 0 3.811836023e-15
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131 8 218.167208 -38.35010395 -38.35142959 0.0001657049892 1.18571871e-16 0 1.214306433e-17
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132 8 219.256227 -38.31250492 -38.31340288 0.0001122446456 1.876714858e-13 0 3.222248857e-14
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133 8 220.348864 -38.27326458 -38.27379064 6.575710914e-05 2.180649825e-13 0 3.784935328e-14
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134 8 221.445125 -38.23240537 -38.2326318 2.830368336e-05 1.160929916e-13 0 1.85833698e-14
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135 8 222.545016 -38.18995195 -38.18997547 2.940114937e-06 2.857285147e-13 0 4.723131608e-14
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136 8 223.648543 -38.14593141 -38.14582587 1.319290492e-05 3.621544273e-16 0 4.683753385e-17
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137 8 224.755712 -38.1003734 -38.10025273 1.508374451e-05 1.626683138e-13 0 2.680436891e-14
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138 8 225.866529 -38.0533101 -38.05325723 6.60890989e-06 1.924080109e-13 0 3.366230905e-14
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139 8 226.981 -38.00477618 -38.00487503 1.235678987e-05 1.400222438e-13 0 2.279426647e-14
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140 8 228.099131 -37.95480856 -37.95513783 4.115873741e-05 2.244745048e-13 0 4.031670831e-14
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141 8 226.981 -33.28399314 -33.27865849 0.0006668307338 1.141565645e-14 0 1.643474537e-15
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142 8 229.220928 -37.90344619 -37.90408137 7.939763328e-05 2.807990075e-13 0 4.438346934e-14
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143 8 230.346397 -37.85072963 -37.85171281 0.0001228974445 1.619230594e-13 0 2.571091488e-14
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144 8 231.475544 -37.79670065 -37.79810848 0.0001759781574 1.750757649e-13 0 2.857841278e-14
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145 8 232.608375 -37.74140175 -37.74324741 0.000230707395 1.43312041e-13 0 2.375992921e-14
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146 8 233.744896 -37.68487561 -37.68719388 0.0002897834327 7.406111315e-16 0 9.251858539e-17
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147 8 234.885113 -37.62716461 -37.62994505 0.0003475544611 2.595962725e-13 0 4.882090103e-14
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148 8 236.029032 -37.5683103 -37.57155158 0.0004051602046 8.309307342e-16 0 7.459310947e-17
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149 8 237.176659 -37.50835289 -37.51201295 0.0004575071141 4.222263297e-13 0 6.912005676e-14
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150 8 238.328 -37.44733088 -37.45137883 0.0005059936142 2.733411579e-13 0 4.924937434e-14
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151 8 239.483061 -37.38528063 -37.38964471 0.0005455097876 1.506036152e-13 0 2.636779683e-14
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152 8 238.328 -32.32084963 -32.32877917 0.0009911927865 4.885956446e-14 0 6.991452484e-15
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|
153 8 240.641848 -37.32223611 -37.32690218 0.0005832588168 3.312758434e-13 0 6.357298947e-14
|
|
154 8 241.804367 -37.25822867 -37.26310398 0.0006094142827 8.308148362e-16 0 7.401486831e-17
|
|
155 8 242.970624 -37.19328692 -37.19829938 0.0006265579342 7.359238042e-14 0 1.283290603e-14
|
|
156 8 244.140625 -37.12743671 -37.13249287 0.000632020557 2.322198063e-16 0 1.619075244e-17
|
|
157 8 245.314376 -37.06070115 -37.06573351 0.0006290452544 1.340093581e-13 0 2.082419885e-14
|
|
158 8 246.491883 -36.99310075 -36.99800673 0.0006132478396 4.119155594e-16 0 4.568105153e-17
|
|
159 8 247.673152 -36.92465358 -36.92936808 0.0005893130693 1.289468222e-13 0 2.224898506e-14
|
|
160 8 248.858189 -36.8553755 -36.85984394 0.0005585543976 1.083342499e-13 0 1.765948499e-14
|
|
161 8 250.047 -36.78528048 -36.78941041 0.0005162412665 1.041884825e-13 0 1.704192343e-14
|
|
162 8 251.239591 -36.71438082 -36.7181241 0.0004679104754 2.26295211e-13 0 4.174380748e-14
|
|
163 8 250.047 -31.35227688 -31.3503623 0.0002393219777 4.624084742e-14 0 6.150452115e-15
|
|
164 8 252.435968 -36.64268752 -36.64599517 0.0004134568587 1.612336988e-13 0 2.75404699e-14
|
|
165 8 253.636137 -36.57021058 -36.57305178 0.0003551496388 1.180567634e-13 0 1.936818761e-14
|
|
166 8 254.840104 -36.49695934 -36.49930427 0.0002931156678 1.650786987e-13 0 2.876807588e-14
|
|
167 8 256.047875 -36.42294275 -36.42477099 0.0002285305868 1.275361987e-13 0 2.024595769e-14
|
|
168 8 257.259456 -36.34816963 -36.34947486 0.0001631537437 1.513742491e-13 0 2.715420481e-14
|
|
169 8 258.474853 -36.272649 -36.27344512 9.951502312e-05 1.195243849e-13 0 1.870436676e-14
|
|
170 8 259.694072 -36.19639024 -36.19668091 3.633405258e-05 2.950537608e-13 0 4.53462499e-14
|
|
171 8 260.917119 -36.1194033 -36.11922297 2.25416718e-05 1.100990463e-13 0 1.673198617e-14
|
|
172 8 262.144 -36.0416989 -36.04105252 8.07970672e-05 2.107618044e-13 0 3.779326389e-14
|
|
173 8 263.374721 -35.96328859 -35.96224375 0.0001306043877 5.839797349e-14 0 1.10496103e-14
|
|
174 8 262.144 -30.36199956 -30.35511573 0.0008604782684 3.12439744e-14 0 3.75771234e-15
|
|
175 8 264.609288 -35.8841849 -35.88278096 0.0001754928529 1.258558255e-13 0 2.002333484e-14
|
|
176 8 265.847707 -35.80440142 -35.80269997 0.000212680633 5.682647949e-14 0 9.374156544e-15
|
|
177 8 267.089984 -35.72395276 -35.72200298 0.0002437218972 7.741983643e-14 0 1.298642906e-14
|
|
178 8 268.336125 -35.64285463 -35.6407125 0.000267766695 2.595855176e-13 0 4.549023195e-14
|
|
179 8 269.586136 -35.56112382 -35.55886015 0.0002829589209 1.409509533e-13 0 2.532725187e-14
|
|
180 8 270.840023 -35.47877811 -35.47646305 0.0002893827026 1.043366151e-13 0 1.878560964e-14
|
|
181 8 272.097792 -35.39583626 -35.3935225 0.0002892199791 7.630221277e-14 0 1.124563405e-14
|
|
182 8 273.359449 -35.31231791 -35.31009264 0.0002781583488 1.766782538e-13 0 2.859431442e-14
|
|
183 8 274.625 -35.22824349 -35.22614866 0.0002618532292 4.0663576e-15 0 3.932039879e-16
|
|
184 8 275.894451 -35.14363412 -35.1417472 0.0002358646178 8.214421069e-14 0 1.459047004e-14
|
|
185 8 274.625 -29.34816054 -29.35393013 0.0007211986062 2.573155915e-14 0 4.089738744e-15
|
|
186 8 277.167808 -35.05851149 -35.05687287 0.0002048274772 4.468390583e-14 0 5.857004696e-15
|
|
187 8 278.445077 -34.97289774 -34.9715572 0.0001675672747 9.432025607e-14 0 1.522769179e-14
|
|
188 8 279.726264 -34.88681531 -34.8858121 0.0001254009127 7.372054697e-14 0 1.155441483e-14
|
|
189 8 281.011375 -34.80028682 -34.799632 8.185205757e-05 7.428948593e-14 0 1.356539302e-14
|
|
190 8 282.300416 -34.71333492 -34.71307221 3.283856945e-05 1.004635447e-13 0 1.594037402e-14
|
|
191 8 283.593393 -34.62598216 -34.62612209 1.749146241e-05 2.773475112e-15 0 3.157196726e-16
|
|
192 8 284.890312 -34.53825083 -34.53878034 6.618866375e-05 1.619142436e-13 0 2.704636283e-14
|
|
193 8 286.191179 -34.45016284 -34.45107583 0.0001141235692 1.030537559e-13 0 1.812583648e-14
|
|
194 8 287.496 -34.36173957 -34.36303293 0.0001616698996 1.091917049e-13 0 1.820100783e-14
|
|
195 8 288.804781 -34.27300174 -34.27464647 0.0002055909728 1.004879353e-13 0 1.809468374e-14
|
|
196 8 287.496 -28.34926207 -28.35738967 0.001015949982 6.642841406e-15 0 1.146796041e-15
|
|
197 8 290.117528 -34.1839693 -34.18592693 0.0002447041065 5.580537435e-14 0 9.536497749e-15
|
|
198 8 291.434247 -34.09466128 -34.09689499 0.000279214058 1.692721671e-12 0 2.226773453e-13
|
|
199 8 292.754944 -34.00509572 -34.00755617 0.0003075566319 1.11357943e-13 0 1.996673949e-14
|
|
200 8 294.079625 -33.91528954 -33.91794704 0.0003321872862 7.676312766e-14 0 1.265220567e-14
|
|
201 8 295.408296 -33.82525848 -33.82804203 0.0003479433511 1.224146508e-14 0 1.710581908e-15
|
|
202 8 296.740963 -33.735017 -33.73788122 0.0003580272174 7.294290892e-14 0 1.090985664e-14
|
|
203 8 298.077632 -33.64457823 -33.64736294 0.000348089134 5.212913398e-14 0 8.287641406e-15
|
|
204 8 299.418309 -33.5539539 -33.55659435 0.0003300557355 9.740501915e-14 0 1.834878459e-14
|
|
205 8 300.763 -33.46315437 -33.46561093 0.000307070432 4.499944449e-14 0 7.660900271e-15
|
|
206 8 302.111711 -33.37218852 -33.3743829 0.0002742980741 5.253605873e-14 0 8.979741863e-15
|
|
207 8 300.763 -27.37709361 -27.37270755 0.0005482576205 1.941101704e-14 0 3.783700752e-15
|
|
208 8 303.464448 -33.28106382 -33.28297289 0.0002386337709 4.43235777e-14 0 7.361407491e-15
|
|
209 8 304.821217 -33.18978633 -33.19133336 0.0001933783041 1.219182625e-14 0 1.976898101e-15
|
|
210 8 306.182024 -33.09836073 -33.09950342 0.0001428362716 5.583168743e-14 0 8.724665232e-15
|
|
211 8 307.546875 -33.00679035 -33.00751748 9.089067951e-05 2.243238264e-15 0 3.483902981e-16
|
|
212 8 308.915776 -32.9150773 -32.91533251 3.190139907e-05 4.973143092e-14 0 8.457047996e-15
|
|
213 8 310.288733 -32.82322249 -32.82301548 2.587626268e-05 7.876852202e-14 0 1.466850549e-14
|
|
214 8 311.665752 -32.7312258 -32.73053126 8.681789539e-05 7.348174879e-14 0 1.217889721e-14
|
|
215 8 313.046839 -32.63908619 -32.63790296 0.0001479036405 4.135170418e-14 0 6.246983182e-15
|
|
216 8 314.432 -32.54680182 -32.54515815 0.0002054590545 2.939126776e-14 0 4.604091631e-15
|
|
217 8 315.821241 -32.45437026 -32.45227645 0.0002617267139 4.699647974e-14 0 7.590650746e-15
|
|
218 8 314.432 -26.41801398 -26.40530829 0.001588210993 1.120317703e-14 0 1.039989331e-15
|
|
219 8 317.214568 -32.36178864 -32.35928901 0.0003124532195 1.831803102e-15 0 2.143106294e-16
|
|
220 8 318.611987 -32.26905381 -32.26618801 0.000358224854 4.530340944e-14 0 8.23270172e-15
|
|
221 8 320.013504 -32.17616259 -32.17302023 0.0003927950111 4.347968282e-14 0 6.443144719e-15
|
|
222 8 321.419125 -32.08311191 -32.07976201 0.0004187375487 4.081132471e-14 0 6.893871844e-15
|
|
223 8 322.828856 -31.989899 -31.98643212 0.0004333600728 6.470592263e-14 0 1.076823047e-14
|
|
224 8 324.242703 -31.89652155 -31.89303281 0.000436092276 3.83538756e-14 0 6.161756139e-15
|
|
225 8 325.660672 -31.80297783 -31.7995724 0.000425678159 4.282142414e-14 0 6.816666485e-15
|
|
226 8 327.082769 -31.70926678 -31.70606552 0.0004001572862 1.543503072e-14 0 2.614923692e-15
|
|
227 8 328.509 -31.61538807 -31.61253519 0.0003566105016 4.405389205e-14 0 7.550478832e-15
|
|
228 8 329.939371 -31.5213421 -31.51893479 0.000300913426 1.212056126e-15 0 1.780913065e-16
|
|
229 8 328.509 -25.45165291 -25.46097964 0.001165841743 3.272274338e-14 0 5.819369321e-15
|
|
230 8 331.373888 -31.4271299 -31.4253319 0.0002247504702 6.969009601e-14 0 1.182011006e-14
|
|
231 8 332.812557 -31.33275313 -31.33169244 0.000132586547 7.287833934e-14 0 1.027688946e-14
|
|
232 8 334.255384 -31.23821389 -31.23803137 2.281562145e-05 6.877129756e-14 0 1.182600907e-14
|
|
233 8 335.702375 -31.14351466 -31.14436083 0.0001057717827 3.302536503e-14 0 5.344195644e-15
|
|
234 8 337.153536 -31.04865812 -31.05068709 0.0002536211893 6.672921539e-14 0 1.15665496e-14
|
|
235 8 338.608873 -30.95364715 -30.95700452 0.0004196714154 4.776677839e-14 0 7.927383038e-15
|
|
236 8 340.068392 -30.85848469 -30.86332188 0.0006046481386 2.09019676e-15 0 3.02862612e-16
|
|
237 8 341.532099 -30.76317378 -30.7696645 0.0008113402599 2.135034288e-14 0 3.364491688e-15
|
|
238 8 85.184 -6.901835712 -6.89948088 0.0002943539694 1.417365806e-12 0 2.462886403e-13
|
|
239 8 91.125 -14.48008011 -14.49028692 0.001275850888 1.684520133e-13 0 2.581737275e-14
|
|
240 8 97.336 -20.59081694 -20.57465163 0.002020664131 1.830533182e-13 0 2.974829911e-14
|
|
241 8 103.823 -25.38515344 -25.39183412 0.0008350850616 2.41518507e-13 0 3.56738227e-14
|
|
242 8 106.496424 -10.09503985 -10.10117778 0.0007672411972 5.433696261e-13 0 9.034324215e-14
|
|
243 8 107.171875 -10.82214571 -10.82503199 0.0003607852592 4.043719918e-13 0 6.985153197e-14
|
|
244 8 107.850176 -11.534669 -11.53495144 3.530460806e-05 7.4476593e-13 0 1.248253526e-13
|
|
245 8 108.531333 -12.23282885 -12.23116604 0.000207851517 1.04845651e-12 0 1.736018013e-13
|
|
246 8 109.215352 -12.91686195 -12.91385694 0.0003756262197 1.095690257e-12 0 1.880944041e-13
|
|
247 8 109.902239 -13.58702174 -13.58325688 0.0004706071788 6.878521243e-13 0 1.170724397e-13
|
|
248 8 110.592 -14.24357674 -14.23951689 0.0005074817821 1.186885423e-12 0 1.845040234e-13
|
|
249 8 111.284641 -14.88680796 -14.88293767 0.0004837857668 7.735456382e-13 0 1.329226081e-13
|
|
250 8 110.592 -29.13330595 -29.14301897 0.00121412688 1.218478329e-12 0 2.094357391e-13
|
|
251 8 111.980168 -15.51700513 -15.51365959 0.0004181921955 6.217887643e-13 0 1.072197886e-13
|
|
252 8 112.678587 -16.13446205 -16.13191396 0.0003185114875 1.107080293e-12 0 1.782810011e-13
|
|
253 8 113.379904 -16.73947096 -16.7378373 0.0002042071017 6.351708921e-13 0 1.039631344e-13
|
|
254 8 114.084125 -17.33231638 -17.33167358 8.035048052e-05 9.844303824e-13 0 1.744731385e-13
|
|
255 8 114.791256 -17.91326913 -17.91364266 4.669183182e-05 8.490066865e-13 0 1.484576351e-13
|
|
256 8 115.501303 -18.48258098 -18.48381583 0.0001543556629 8.49135938e-13 0 1.468697849e-13
|
|
257 8 116.214272 -19.04048121 -19.04244391 0.0002453369659 7.979954341e-13 0 1.3554551e-13
|
|
258 8 116.930169 -19.58717538 -19.58971605 0.0003175834609 7.67999287e-13 0 1.284620558e-13
|
|
259 8 117.649 -20.12284704 -20.12573781 0.0003613468199 7.803074915e-13 0 1.279763332e-13
|
|
260 8 118.370771 -20.64766186 -20.6507896 0.0003909669239 6.753310988e-13 0 1.177715333e-13
|
|
261 8 117.649 -32.00937644 -32.00130598 0.00100880727 1.045019998e-13 0 1.299853258e-14
|
|
262 8 119.095488 -21.16177332 -21.16497388 0.000400070421 6.020049443e-13 0 1.018039819e-13
|
|
263 8 119.823157 -21.6653281 -21.66845698 0.0003911102507 8.198167046e-13 0 1.447487963e-13
|
|
264 8 120.553784 -22.1584702 -22.16144572 0.000371940531 7.369500642e-13 0 1.174627525e-13
|
|
265 8 121.287375 -22.64134293 -22.64405994 0.0003396264757 4.700369059e-13 0 7.881426993e-14
|
|
266 8 122.023936 -23.11408953 -23.1164565 0.0002958717182 1.216636413e-12 0 2.038089026e-13
|
|
267 8 122.763473 -23.57685307 -23.5788357 0.0002478281845 8.281881906e-13 0 1.483431433e-13
|
|
268 8 123.505992 -24.02977632 -24.0313324 0.0001945105597 7.101454988e-13 0 1.185533153e-13
|
|
269 8 124.251499 -24.47300146 -24.47411204 0.0001388224558 8.290205905e-13 0 1.465390309e-13
|
|
# Shear.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
270 8 200.201625 -17.79954439 -17.80095971 0.000176915113 34.88392192 34.86621731 0.005760921155
|
|
271 8 200.201625 -18.68076158 -18.68039145 4.626644439e-05 31.09520632 31.10971303 0.002447103257
|
|
272 8 200.201625 -18.74938884 -18.74847294 0.0001144872841 30.87202795 30.87108939 0.0007467806483
|
|
273 8 200.201625 -18.65978879 -18.66050137 8.90722638e-05 31.35431705 31.34839688 0.002512045306
|
|
274 8 200.201625 -17.72692808 -17.72226746 0.0005825772664 35.48770038 35.4991231 0.003067109613
|
|
275 8 200.201625 -18.61217014 -18.61280191 7.897068511e-05 31.47509301 31.47627702 0.0006425488625
|
|
276 8 200.201625 -18.78027773 -18.77926611 0.0001264529875 30.75800104 30.75201265 0.001098732015
|
|
277 8 200.201625 -18.80138851 -18.80113601 3.156192295e-05 30.71880831 30.70416935 0.002452789243
|
|
278 8 200.201625 -18.5856254 -18.58622087 7.44336902e-05 31.52727871 31.5380751 0.002221169679
|
|
279 8 200.201625 -18.78464061 -18.78332932 0.0001639112254 30.68607759 30.68923945 0.0007914863831
|
|
280 8 200.201625 -18.40295688 -18.40404938 0.0001365626706 32.51932735 32.52382115 0.002496662678
|
|
281 8 200.201625 -18.74587559 -18.74540916 5.830414684e-05 30.93167422 30.92452189 0.001621910447
|
|
282 8 200.201625 -18.73539361 -18.73534983 5.472757759e-06 30.9867541 30.97910612 0.002036657533
|
|
283 8 200.201625 -18.81313312 -18.8134127 3.494746608e-05 30.67711351 30.65993833 0.002308328646
|
|
284 8 200.201625 -18.41679447 -18.41797991 0.0001481795325 32.38864518 32.38768122 0.001261065617
|
|
285 8 200.201625 -18.53325479 -18.53413003 0.0001094048379 31.87280395 31.87155042 0.001434499209
|
|
286 8 200.201625 -18.66852187 -18.66826987 3.149967822e-05 31.15535646 31.16861455 0.002309352669
|
|
287 8 200.201625 -18.60524268 -18.60668646 0.0001804724516 31.62410431 31.62081008 0.002745876033
|
|
288 8 200.201625 -18.78955751 -18.78856529 0.0001240274343 30.72922886 30.72095906 0.001561719335
|
|
289 8 200.201625 -18.75256705 -18.75078927 0.0002222229091 30.74062521 30.76438387 0.003433795615
|
|
290 8 200.201625 -17.70195184 -17.6965478 0.0006755048327 35.59771921 35.60991003 0.003181735236
|
|
291 8 200.201625 -18.80802362 -18.80734294 8.508522607e-05 30.67561038 30.66240229 0.002364086577
|
|
292 8 200.201625 -18.44225194 -18.44403239 0.0002225561903 32.20976946 32.21047876 0.001109881285
|
|
293 8 200.201625 -18.75664883 -18.75459744 0.0002564236711 30.71930642 30.74413719 0.003535612215
|
|
294 8 200.201625 -18.79679278 -18.79627044 6.52925118e-05 30.72108953 30.70910318 0.0022168548
|
|
295 8 200.201625 -18.60266398 -18.60324612 7.276771777e-05 31.52006156 31.52149145 0.0006652129252
|
|
296 8 200.201625 -18.77884159 -18.77797969 0.0001077370506 30.77905199 30.77105182 0.001534801424
|
|
297 8 200.201625 -17.98640495 -17.98503897 0.0001707474355 34.35603849 34.36653327 0.003114370521
|
|
298 8 200.201625 -18.36958616 -18.37037378 9.8452521e-05 32.4379119 32.44728299 0.004220197503
|
|
299 8 200.201625 -17.92536303 -17.92840077 0.0003797171932 34.41509167 34.39992976 0.004446180642
|
|
300 8 200.201625 -18.70952275 -18.70860148 0.0001151585192 30.94980978 30.96851628 0.002879951919
|
|
301 8 200.201625 -18.6195553 -18.62007006 6.434470316e-05 31.43745035 31.4396675 0.0007547269467
|
|
302 8 200.201625 -18.79223938 -18.79181491 5.305835454e-05 30.7486436 30.73621055 0.00227626908
|
|
303 8 200.201625 -17.47590856 -17.46686581 0.001130343197 36.56541834 36.57228469 0.001932600866
|
|
304 8 200.201625 -18.31197587 -18.31273123 9.442046852e-05 32.92635489 32.93362227 0.002898182325
|
|
305 8 200.201625 -18.68732932 -18.68749049 2.014571255e-05 31.20886492 31.20308311 0.00214888223
|
|
306 8 200.201625 -18.78299059 -18.78234842 8.027097149e-05 30.76548814 30.75647741 0.001744222541
|
|
307 8 200.201625 -18.61077187 -18.61129142 6.494423607e-05 31.5460438 31.54266348 0.001737612295
|
|
308 8 200.201625 -18.52822553 -18.52820447 2.63202022e-06 31.74136199 31.75743244 0.004001092035
|
|
309 8 200.201625 -18.77622489 -18.77505826 0.0001458289447 30.73240011 30.73398918 0.0004943675709
|
|
310 8 200.201625 -18.57592419 -18.57500616 0.0001147532041 31.51581042 31.53640779 0.004463686967
|
|
311 8 200.201625 -18.54980192 -18.55015461 4.408608044e-05 31.66083322 31.67509141 0.003341397062
|
|
312 8 200.201625 -18.37285489 -18.37420108 0.0001682741564 32.66498156 32.67186311 0.002981840088
|
|
313 8 200.201625 -18.71829784 -18.7179035 4.929295049e-05 31.02171737 31.01949294 0.0008150232528
|
|
314 8 200.201625 -18.58598652 -18.58658856 7.525483205e-05 31.60259278 31.60336662 0.0007191782616
|
|
315 8 200.201625 -18.77830156 -18.77718203 0.0001399412743 30.71530178 30.71814784 0.000749065814
|
|
316 8 200.201625 -18.75426908 -18.75225185 0.0002521536998 30.73100138 30.75561682 0.003504839726
|
|
317 8 200.201625 -18.77599923 -18.77487112 0.000141013429 30.7608076 30.75754523 0.0006430605668
|
|
318 8 200.201625 -18.7174896 -18.71489311 0.0003245610209 30.87365942 30.90256808 0.004368900676
|
|
319 8 200.201625 -18.70590103 -18.70510716 9.923381201e-05 30.98464791 30.99982205 0.002532506726
|
|
320 8 200.201625 -18.81298916 -18.81319946 2.628715024e-05 30.67962298 30.662448 0.002250166376
|
|
321 8 200.201625 -18.71899473 -18.72005006 0.0001319158879 31.10757979 31.09704221 0.002918991193
|
|
322 8 200.201625 -18.79433485 -18.79330401 0.0001288555025 30.68170677 30.67688332 0.000781765055
|
|
323 8 200.201625 -18.52653855 -18.52778204 0.000155436745 31.95729684 31.95690629 0.002347838966
|
|
324 8 200.201625 -18.66944435 -18.67017106 9.083847185e-05 31.31427008 31.30774889 0.00257543233
|
|
325 8 200.201625 -18.31363832 -18.31454982 0.0001139374444 32.68178062 32.68887063 0.004271864548
|
|
326 8 200.201625 -18.2513159 -18.25209125 9.691870135e-05 33.18599922 33.19261114 0.002641208237
|
|
327 8 200.201625 -18.26043223 -18.26131527 0.0001103799595 33.14784778 33.15470979 0.002717676319
|
|
328 8 200.201625 -18.23514519 -18.23576264 7.718160291e-05 33.27151073 33.28122576 0.003282380077
|
|
329 8 200.201625 -18.57756137 -18.57834149 9.751462257e-05 31.5787859 31.58679659 0.001724701459
|
|
330 8 200.201625 -18.08145847 -18.08078438 8.426136605e-05 33.9488133 33.96153029 0.003638381627
|
|
331 8 200.201625 -18.15407624 -18.1541524 9.520588764e-06 33.62574468 33.63615606 0.003303301212
|
|
332 8 200.201625 -18.80853667 -18.80812943 5.090530131e-05 30.67622126 30.66226658 0.002444640193
|
|
333 8 200.201625 -18.45813941 -18.45862654 6.089153727e-05 32.05533137 32.06781818 0.003926398951
|
|
334 8 200.201625 -18.7327459 -18.7335534 0.0001009373727 31.04647226 31.03524619 0.002884971121
|
|
335 8 200.201625 -18.75489767 -18.7539424 0.0001194089814 30.82351567 30.82626173 0.0007344469363
|
|
336 8 200.201625 -18.53029806 -18.53130782 0.0001262203137 31.93084323 31.93006002 0.002217395078
|
|
337 8 200.201625 -18.74429929 -18.7439547 4.30735424e-05 30.93584948 30.92891554 0.001577116922
|
|
338 8 200.201625 -18.76452092 -18.76303401 0.0001858631847 30.70116071 30.72149267 0.003193359654
|
|
339 8 200.201625 -18.43491047 -18.4360942 0.0001479661284 32.30956314 32.30814542 0.001044133898
|
|
340 8 200.201625 -18.78458698 -18.78367204 0.0001143670595 30.75794793 30.74912507 0.001690256968
|
|
341 8 200.201625 -18.79323575 -18.79244275 9.912474092e-05 30.71794329 30.70862765 0.001760859583
|
|
342 8 200.201625 -18.29483745 -18.29577447 0.0001171269119 32.96305848 32.96461268 0.001653531158
|
|
343 8 200.201625 -18.73902177 -18.73895195 8.727239064e-06 30.96922089 30.96153909 0.002002503982
|
|
344 8 200.201625 -18.69099077 -18.6904893 6.268354199e-05 31.04773461 31.06287081 0.00252799448
|
|
345 8 200.201625 -18.34029214 -18.34245514 0.0002703754393 32.68333641 32.68013891 0.001627979422
|
|
346 8 200.201625 -18.81255795 -18.81259133 4.172801752e-06 30.675172 30.65860384 0.002514591541
|
|
347 8 200.201625 -18.78364316 -18.78237822 0.0001581180519 30.68636979 30.6903958 0.0009554379607
|
|
348 8 200.201625 -18.63757028 -18.63785271 3.53031735e-05 31.38556526 31.38434601 0.0008431282725
|
|
349 8 200.201625 -17.97052253 -17.96935603 0.0001458124142 34.4123049 34.41867543 0.002258376675
|
|
350 8 200.201625 -18.21463341 -18.21701939 0.0002982480756 33.23747706 33.23095042 0.002407459434
|
|
351 8 200.201625 -18.80041007 -18.79944176 0.000121038979 30.68136001 30.6722835 0.001675789767
|
|
352 8 200.201625 -17.79600238 -17.79759717 0.0001993487849 34.90443513 34.88650965 0.005746806245
|
|
353 8 200.201625 -18.75194436 -18.75020027 0.0002180110801 30.74920556 30.77170688 0.003339095222
|
|
354 8 200.201625 -18.74666558 -18.74299885 0.0004583411904 30.72395942 30.75814585 0.004386661475
|
|
355 8 200.201625 -18.66501425 -18.66399993 0.0001267895589 31.12930746 31.15107427 0.003741588753
|
|
356 8 200.201625 -18.81351887 -18.81376554 3.083326116e-05 30.67603367 30.65881666 0.002260619421
|
|
357 8 200.201625 -18.69529183 -18.69316334 0.0002660614522 30.97500182 31.00233788 0.004392321543
|
|
358 8 200.201625 -17.63875263 -17.6399728 0.0001525207377 35.56904278 35.54302363 0.007125930807
|
|
359 8 200.201625 -18.79269619 -18.79301852 4.029154625e-05 30.77234704 30.75699261 0.002668800244
|
|
360 8 200.201625 -17.83086095 -17.82732118 0.0004424714815 35.04151126 35.05515663 0.003563266083
|
|
361 8 200.201625 -18.8074269 -18.80699389 5.412664912e-05 30.67785343 30.66435337 0.002397939472
|
|
362 8 200.201625 -18.47348242 -18.47479948 0.0001646327716 32.01820922 32.02656356 0.002647879856
|
|
363 8 200.201625 -18.7758473 -18.77478411 0.0001328982725 30.75255479 30.75076917 0.0006944183082
|
|
364 8 200.201625 -18.76068326 -18.76082939 1.826577931e-05 30.89848404 30.8870055 0.002501161988
|
|
365 8 200.201625 -18.6770394 -18.67696621 9.148561358e-06 31.14740341 31.15491253 0.001623934934
|
|
366 8 200.201625 -18.49525424 -18.49616665 0.0001140515118 32.02891359 32.02831481 0.00108670123
|
|
367 8 200.201625 -18.68537931 -18.68542851 6.149546758e-06 31.20313486 31.19821303 0.001652844457
|
|
368 8 200.201625 -18.72389164 -18.72335907 6.657101322e-05 30.96769258 30.97010729 0.0007597449621
|
|
369 8 200.201625 -18.76547857 -18.76448698 0.0001239487787 30.77625328 30.77889664 0.0006980442867
|
|
370 8 200.201625 -18.71254965 -18.71230841 3.015484135e-05 31.0531035 31.05039833 0.001232629566
|
|
371 8 200.201625 -18.40980673 -18.41091728 0.0001388192173 32.48148831 32.48491841 0.00225172866
|
|
372 8 200.201625 -18.75777703 -18.75682973 0.0001184125891 30.8105777 30.81325815 0.0007216388843
|
|
373 8 200.201625 -17.94345041 -17.94657606 0.0003907067761 34.35546783 34.34024531 0.004182792899
|
|
374 8 200.201625 -18.70184983 -18.70156293 3.586257506e-05 31.10073101 31.09822538 0.0009530575527
|
|
375 8 200.201625 -18.53934761 -18.54065233 0.0001630901713 31.90335932 31.90258588 0.002423717805
|
|
376 8 200.201625 -17.76233735 -17.75809166 0.0005307116407 35.33489709 35.34678274 0.003182566418
|
|
377 8 200.201625 -18.46677564 -18.46796327 0.0001484537976 32.20931966 32.20974735 0.002029494555
|
|
378 8 200.201625 -18.54690116 -18.54770762 0.0001008079146 31.84060061 31.83919545 0.001958858558
|
|
379 8 200.201625 -18.68155242 -18.68245573 0.0001129132894 31.27132437 31.26362036 0.002793585301
|
|
380 8 200.201625 -18.70249912 -18.70232185 2.215854337e-05 31.12059641 31.11596503 0.001723387265
|
|
381 8 200.201625 -18.69562826 -18.6952961 4.151976726e-05 31.06759592 31.07498893 0.001532801665
|
|
382 8 200.201625 -18.70337885 -18.70410237 9.043952767e-05 31.17407896 31.16503451 0.002821585487
|
|
383 8 200.201625 -17.64664537 -17.64876551 0.0002650170798 35.60146322 35.57471684 0.006535883887
|
|
384 8 200.201625 -18.26691254 -18.26877384 0.0002326622844 32.90634224 32.90861979 0.003468298151
|
|
385 8 200.201625 -18.44072536 -18.44239522 0.0002087330227 32.21688927 32.21770238 0.001126015056
|
|
386 8 200.201625 -18.49163523 -18.49310999 0.0001843451572 32.13400311 32.13635013 0.002476511279
|
|
387 8 200.201625 -17.73086497 -17.73330976 0.0003055982789 35.24732764 35.2240878 0.005827130173
|
|
388 8 200.201625 -18.72276728 -18.72240731 4.499675197e-05 31.02677379 31.02175449 0.001648747273
|
|
389 8 200.201625 -18.43358246 -18.43545377 0.0002339140242 32.25216889 32.25222723 0.0010539498
|
|
390 8 200.201625 -18.13657545 -18.13656392 1.440831884e-06 33.70748386 33.71950341 0.003572657475
|
|
391 8 200.201625 -18.25491952 -18.25564709 9.094686803e-05 33.18657111 33.19650807 0.003354190077
|
|
392 8 200.201625 -17.83402976 -17.83556042 0.0001913319313 34.74176443 34.72589843 0.005420812087
|
|
393 8 200.201625 -18.76969957 -18.76968583 1.717482859e-06 30.86010679 30.84783219 0.002399456862
|
|
394 8 200.201625 -18.79759899 -18.79665676 0.0001177785858 30.68145294 30.67419428 0.001295298888
|
|
395 8 200.201625 -18.31478519 -18.31590836 0.0001403964241 32.88224062 32.88449413 0.001797667693
|
|
396 8 200.201625 -18.77477295 -18.77376553 0.0001259275364 30.72873798 30.73213531 0.0008418057869
|
|
397 8 200.201625 -18.52595629 -18.52700698 0.0001313367711 31.89580247 31.89467197 0.001245611051
|
|
398 8 200.201625 -18.80447375 -18.80405955 5.17745022e-05 30.69191849 30.67859201 0.002377828603
|
|
399 8 200.201625 -18.62999655 -18.63022467 2.851545703e-05 31.39394414 31.39604338 0.0007263863262
|
|
400 8 200.201625 -18.56453123 -18.56593522 0.0001754992262 31.80626544 31.80522202 0.002642694531
|
|
401 8 200.201625 -18.75582677 -18.7540651 0.0002202092376 30.72710742 30.75059105 0.003424930599
|
|
402 8 200.201625 -18.60624941 -18.60657675 4.091773604e-05 31.44006087 31.45079872 0.002045877925
|
|
403 8 200.201625 -18.79645013 -18.79516598 0.0001605191395 30.68129478 30.67537097 0.001040120052
|
|
404 8 200.201625 -18.31545964 -18.31625635 9.958850004e-05 32.92082555 32.92969527 0.0032596317
|
|
405 8 200.201625 -18.62071963 -18.62218809 0.0001835577094 31.55399313 31.54975296 0.002785957426
|
|
406 8 200.201625 -17.740374 -17.74190222 0.0001910269573 35.14353439 35.12280232 0.006172156784
|
|
407 8 200.201625 -18.5770638 -18.5778669 0.0001003876625 31.67568707 31.67345633 0.001237569484
|
|
408 8 200.201625 -18.75612602 -18.75505313 0.0001341109218 30.75911125 30.77433295 0.002625667871
|
|
409 8 200.201625 -18.33781656 -18.33870261 0.0001107564089 32.78261556 32.78524675 0.001850685978
|
|
410 8 200.201625 -18.74285809 -18.74145732 0.0001750959831 30.79625751 30.81679883 0.003147015019
|
|
411 8 200.201625 -18.66867216 -18.66922438 6.902760765e-05 31.29674426 31.29091084 0.002092602438
|
|
412 8 200.201625 -18.7931857 -18.79326129 9.448726949e-06 30.76150407 30.74660231 0.002453415035
|
|
413 8 200.201625 -18.18300671 -18.18331241 3.821301203e-05 33.48973541 33.49774409 0.002840424247
|
|
414 8 200.201625 -18.42086841 -18.42218258 0.0001642709621 32.37830513 32.37742266 0.001422952417
|
|
415 8 200.201625 -17.61831133 -17.6117973 0.0008142539849 35.95433169 35.96382909 0.002613304692
|
|
416 8 200.201625 -18.76249937 -18.76227085 2.856452851e-05 30.87958554 30.86930477 0.002255063308
|
|
417 8 200.201625 -18.72777512 -18.7265579 0.0001521527178 30.87029593 30.8891889 0.002961284223
|
|
418 8 200.201625 -18.76967342 -18.7685133 0.0001450154882 30.72781352 30.73653279 0.001758966042
|
|
419 8 200.201625 -18.37431441 -18.37588222 0.0001959761706 32.44159004 32.44792064 0.003256579985
|
|
420 8 200.201625 -18.74219128 -18.74186806 4.040192329e-05 30.95344525 30.94582142 0.001756884584
|
|
421 8 200.201625 -18.61085724 -18.60947674 0.0001725624551 31.35392491 31.37718999 0.004620776912
|
|
422 8 200.201625 -18.37728805 -18.37862569 0.0001672055 32.63109462 32.63570634 0.002471838786
|
|
423 8 200.201625 -18.72978846 -18.72939625 4.902640504e-05 30.94819774 30.94902395 0.0006225426583
|
|
424 8 200.201625 -18.77260185 -18.77139949 0.000150294614 30.73698128 30.74113259 0.0009645729902
|
|
425 8 200.201625 -18.71745452 -18.71713735 3.964611019e-05 31.03100558 31.02825046 0.001221825258
|
|
426 8 200.201625 -18.65409356 -18.65442505 4.143574234e-05 31.3255419 31.32262916 0.001240647133
|
|
427 8 200.201625 -18.18766623 -18.18875211 0.0001357354901 33.22032871 33.22208863 0.004519637831
|
|
428 8 200.201625 -18.78866065 -18.78745411 0.0001508178512 30.7026131 30.69908838 0.0005323542425
|
|
429 8 200.201625 -18.55795807 -18.55912984 0.000146470798 31.81703367 31.81551763 0.002413451288
|
|
430 8 200.201625 -18.76395167 -18.76334394 7.596686836e-05 30.84823826 30.84069904 0.001713765372
|
|
431 8 200.201625 -18.71547865 -18.71479286 8.572344034e-05 30.95017569 30.96317402 0.002319558572
|
|
432 8 200.201625 -17.93308038 -17.93603642 0.0003695048043 34.4219965 34.40578313 0.004009428291
|
|
433 8 200.201625 -18.62202189 -18.6206866 0.0001669111193 31.30562747 31.3290308 0.004520857686
|
|
434 8 200.201625 -17.92875099 -17.93081234 0.0002576683075 34.34752345 34.33552317 0.00466386042
|
|
435 8 200.201625 -17.45385146 -17.44432291 0.001191068575 36.6595168 36.6652175 0.001714690056
|
|
436 8 200.201625 -18.79724774 -18.79630926 0.0001173095764 30.69089849 30.68254484 0.001530359115
|
|
437 8 200.201625 -17.92221543 -17.92317595 0.0001200649775 34.35200686 34.34133084 0.004744458093
|
|
438 8 200.201625 -18.66362152 -18.66436098 9.243241733e-05 31.33903703 31.33285431 0.002547048951
|
|
439 8 200.201625 -17.60989554 -17.61169923 0.0002254617701 35.71413183 35.68593966 0.007248994134
|
|
440 8 200.201625 -18.8134222 -18.81370198 3.497290191e-05 30.67562167 30.65843981 0.002318094941
|
|
441 8 200.201625 -18.74309946 -18.73813685 0.0006203259656 30.72157161 30.75983264 0.00557612112
|
|
442 8 200.201625 -18.38106717 -18.38322679 0.0002699527546 32.44939288 32.45126966 0.001817990222
|
|
443 8 200.201625 -18.80611156 -18.80577552 4.200468159e-05 30.6904174 30.67625814 0.002456573122
|
|
444 8 200.201625 -18.47425953 -18.47475705 6.219035678e-05 31.98276076 31.9959509 0.003941874653
|
|
445 8 200.201625 -18.71085858 -18.71052377 4.185122915e-05 31.04249032 31.04241522 0.0007618083861
|
|
446 8 200.201625 -17.3521563 -17.35153546 7.760532385e-05 36.76480332 36.72274189 0.01015716847
|
|
447 8 200.201625 -17.72109301 -17.71632772 0.0005956606984 35.50747347 35.51660537 0.0026584278
|
|
448 8 200.201625 -18.69713391 -18.69683378 3.751564745e-05 31.11239384 31.11155255 0.0009589392734
|
|
449 8 200.201625 -18.42155658 -18.42340297 0.0002307985045 32.30747188 32.30718188 0.001070824945
|
|
450 8 200.201625 -18.61201937 -18.61323076 0.0001514235378 31.58569915 31.58190786 0.002689074569
|
|
451 8 200.201625 -18.714878 -18.71558931 8.89137831e-05 31.1260243 31.11625616 0.002866127968
|
|
452 8 200.201625 -18.74778619 -18.74566427 0.0002652405904 30.74947455 30.77627348 0.003594202072
|
|
453 8 200.201625 -17.57782429 -17.57042347 0.0009251019678 36.1294696 36.13867277 0.002509050165
|
|
454 8 200.201625 -18.66825538 -18.66823293 2.80686583e-06 31.19063576 31.19775228 0.001526586196
|
|
455 8 200.201625 -18.8134918 -18.81366876 2.211940224e-05 30.67300364 30.65598116 0.002472874028
|
|
456 8 200.201625 -18.74095323 -18.73739316 0.0004450083915 30.74941324 30.78324651 0.004655495843
|
|
457 8 200.201625 -18.47557041 -18.47688547 0.0001643829714 32.18699223 32.18833376 0.002250299643
|
|
458 8 200.201625 -18.31039096 -18.31133234 0.0001176724933 32.93959052 32.94791811 0.003124531006
|
|
459 8 200.201625 -18.69360684 -18.69356093 5.738878627e-06 31.14247275 31.13966747 0.001348302928
|
|
460 8 200.201625 -18.09727389 -18.09696924 3.808082702e-05 33.87322215 33.88370274 0.003236346776
|
|
461 8 200.201625 -18.14203008 -18.14205241 2.790852985e-06 33.66744766 33.67527792 0.002733525264
|
|
462 8 200.201625 -18.66322865 -18.66331038 1.021686237e-05 31.25038005 31.25161481 0.0007462895172
|
|
463 8 200.201625 -18.77359778 -18.77240477 0.000149125756 30.73663696 30.7398245 0.0008014435848
|
|
464 8 200.201625 -18.7554998 -18.75472104 9.734471354e-05 30.84904183 30.84696879 0.0008702790656
|
|
465 8 200.201625 -18.77406196 -18.77330066 9.516282645e-05 30.7764976 30.77192711 0.001088423966
|
|
466 8 200.201625 -18.52191235 -18.52332792 0.0001769460722 31.99275519 31.99320205 0.002528864568
|
|
467 8 200.201625 -18.75938598 -18.75823395 0.0001440039523 30.78550658 30.79218216 0.001403082156
|
|
468 8 200.201625 -18.59193193 -18.59256889 7.962056639e-05 31.62309495 31.62072561 0.001774618095
|
|
469 8 200.201625 -18.12823387 -18.12807892 1.936912757e-05 33.7419929 33.75360766 0.003481042386
|
|
470 8 200.201625 -18.78962933 -18.7890744 6.936638014e-05 30.74108879 30.73091038 0.001934614057
|
|
471 8 200.201625 -17.9919042 -17.99072331 0.0001476114107 34.32048921 34.32753031 0.002409959926
|
|
472 8 200.201625 -18.40403824 -18.40559989 0.0001952068453 32.3089189 32.31644775 0.003290589284
|
|
473 8 200.201625 -18.77213391 -18.77092381 0.0001512625402 30.70880421 30.71933479 0.002026824734
|
|
474 8 200.201625 -18.59652399 -18.59697853 5.68170892e-05 31.60076628 31.59859157 0.001720135979
|
|
475 8 200.201625 -18.60977678 -18.61112908 0.0001690372069 31.60385089 31.60040455 0.002751947832
|
|
476 8 200.201625 -18.78414329 -18.78348666 8.207900753e-05 30.76857704 30.75864715 0.001918897793
|
|
477 8 200.201625 -18.69366492 -18.69215046 0.0001893069817 30.99578715 31.01998569 0.003872999991
|
|
478 8 200.201625 -18.60123694 -18.60188327 8.07914408e-05 31.5197932 31.52162549 0.0007921866054
|
|
479 8 200.201625 -18.63363436 -18.63412583 6.143323802e-05 31.3853032 31.38613995 0.0006733087778
|
|
480 8 200.201625 -18.69219191 -18.69193839 3.169011405e-05 31.07358265 31.08264053 0.001784821844
|
|
481 8 200.201625 -18.76849997 -18.7673997 0.0001375342647 30.73976501 30.74699922 0.001520841214
|
|
482 8 200.201625 -18.51035174 -18.51116877 0.000102128425 31.98055023 31.97965362 0.001493116885
|
|
483 8 200.201625 -18.79992617 -18.79963279 3.667233285e-05 30.71641874 30.70287664 0.002396037448
|
|
484 8 200.201625 -18.77412322 -18.77306827 0.0001318683216 30.7054258 30.71441656 0.001796968619
|
|
485 8 200.201625 -18.67170014 -18.67290321 0.0001503835623 31.32346021 31.31621145 0.002874898344
|
|
486 8 200.201625 -18.33981086 -18.34089468 0.0001354780194 32.80181238 32.80806727 0.002749384375
|
|
487 8 200.201625 -18.69587076 -18.69579446 9.537828087e-06 31.08822375 31.09139 0.0008237928491
|
|
488 8 200.201625 -18.69993795 -18.69940455 6.667441678e-05 31.00408098 31.0199515 0.002610304795
|
|
489 8 200.201625 -18.75987585 -18.75849803 0.0001722279231 30.73458859 30.75196603 0.002879275746
|
|
490 8 200.201625 -18.77008898 -18.76880081 0.0001610211199 30.70222403 30.7164453 0.002511492711
|
|
491 8 200.201625 -18.74667034 -18.74710089 5.38185751e-05 30.96813948 30.95694666 0.002665692788
|
|
492 8 200.201625 -18.04443347 -18.04622779 0.0002242902171 33.84851217 33.84238403 0.00393053614
|
|
493 8 200.201625 -18.59994623 -18.59824479 0.0002126802916 31.39714884 31.42118793 0.004895351249
|
|
494 8 200.201625 -18.61348121 -18.61162092 0.0002325362571 31.33291369 31.35803781 0.004985389282
|
|
495 8 200.201625 -17.93235168 -17.93512657 0.0003468614399 34.37634154 34.36216856 0.004412901342
|
|
496 8 200.201625 -18.80096178 -18.80088715 9.328915545e-06 30.71653296 30.7021325 0.002464900209
|
|
497 8 200.201625 -18.74579914 -18.74494871 0.0001063041599 30.87108658 30.87294665 0.0007017273145
|
|
498 8 200.201625 -18.14683945 -18.14948465 0.0003306503771 33.51993493 33.51124268 0.002748961287
|
|
499 8 200.201625 -18.07948346 -18.07909181 4.895616792e-05 33.93017518 33.93544574 0.002109464643
|
|
500 8 200.201625 -18.47142281 -18.47261644 0.0001492043272 32.01833551 32.02783639 0.003010256805
|
|
501 8 200.201625 -18.74740266 -18.74665822 9.305471219e-05 30.88729451 30.88500626 0.0006696054749
|
|
502 8 200.201625 -18.6713021 -18.67136397 7.733360407e-06 31.22622318 31.22549918 0.0006432302292
|
|
503 8 200.201625 -17.41248566 -17.41289033 5.058390776e-05 36.54793565 36.50971105 0.009116610158
|
|
504 8 200.201625 -17.77942308 -17.78141256 0.0002486851821 34.99223371 34.97286649 0.005779847813
|
|
505 8 200.201625 -18.74276447 -18.74217395 7.381548941e-05 30.88751775 30.88860356 0.0006077832271
|
|
506 8 200.201625 -18.77095531 -18.76987679 0.0001348152846 30.71806982 30.72750335 0.001872888945
|
|
507 8 200.201625 -18.42262563 -18.42438577 0.0002200172824 32.29096737 32.29186889 0.001171733748
|
|
508 8 200.201625 -18.57020237 -18.5710242 0.0001027281728 31.73500595 31.73288257 0.002009413293
|
|
509 8 200.201625 -18.80851496 -18.83346821 0.003119156533 30.69904171 30.41547528 0.03481471154
|
|
510 8 200.201625 -18.66303629 -18.66312623 1.124202897e-05 31.28331426 31.28094749 0.001408922546
|
|
511 8 200.201625 -18.73586864 -18.73537963 6.112645917e-05 30.94585467 30.94272399 0.0008868661595
|
|
512 8 200.201625 -18.44579724 -18.44703354 0.000154537647 32.23898351 32.2377014 0.001025828566
|
|
513 8 200.201625 -18.78324413 -18.78257673 8.342530512e-05 30.76943556 30.75973747 0.001851303983
|
|
514 8 200.201625 -18.61628024 -18.61757155 0.0001614140232 31.5739809 31.57012038 0.00277338857
|
|
515 8 200.201625 -17.82838004 -17.8248249 0.0004443926775 35.05192806 35.06541425 0.003536276176
|
|
516 8 200.201625 -18.78390338 -18.78290949 0.0001242358819 30.71517291 30.71300403 0.000348755437
|
|
517 8 200.201625 -18.68237102 -18.68225296 1.475745928e-05 31.12096639 31.12926123 0.001692351159
|
|
518 8 200.201625 -18.46363582 -18.46229665 0.0001673960973 31.98950613 32.00833127 0.005584710809
|
|
519 8 200.201625 -18.25439017 -18.2553917 0.0001251917558 33.14806339 33.15041853 0.001707107962
|
|
520 8 200.201625 -18.73234643 -18.73163332 8.913865189e-05 30.88192913 30.8935044 0.002150373218
|
|
521 8 200.201625 -18.8081615 -18.80788792 3.419707655e-05 30.68706523 30.67197783 0.002510018851
|
|
522 8 200.201625 -18.72556555 -18.72603215 5.832490547e-05 31.06013227 31.05060159 0.00261846393
|
|
523 8 200.201625 -18.79259559 -18.79275448 1.98609865e-05 30.76647025 30.75134868 0.002496237774
|
|
524 8 200.201625 -18.5289464 -18.53031454 0.0001710178182 31.95292327 31.95264196 0.002441628976
|
|
525 8 200.201625 -18.65980323 -18.66074621 0.0001178721424 31.37324391 31.36687035 0.002810455959
|
|
526 8 200.201625 -18.5215376 -18.52078574 9.398236696e-05 31.75043024 31.76963682 0.004866079873
|
|
527 8 200.201625 -18.66187741 -18.66222276 4.316929315e-05 31.33189004 31.3266515 0.002259557025
|
|
528 8 200.201625 -17.94571458 -17.94740908 0.0002118119704 34.27158064 34.26095217 0.004487335452
|
|
529 8 200.201625 -18.7486829 -18.7476613 0.0001277000983 30.82165886 30.83084335 0.001806196104
|
|
530 8 200.201625 -17.73249464 -17.72800147 0.0005616461594 35.45789789 35.46700802 0.002662276027
|
|
531 8 200.201625 -18.48602587 -18.48743544 0.0001761961372 32.02743812 32.02832722 0.000993333883
|
|
532 8 200.201625 -18.73297286 -18.73260237 4.631183893e-05 30.9785086 30.97323669 0.001599961274
|
|
533 8 200.201625 -18.41914616 -18.42087555 0.0002161738181 32.32884161 32.3279602 0.001158146763
|
|
534 8 200.201625 -18.77117426 -18.76983836 0.0001669880979 30.71092922 30.72213262 0.002123061605
|
|
535 8 200.201625 -17.89492431 -17.89784223 0.0003647396567 34.55219705 34.53563681 0.004594334417
|
|
536 8 200.201625 -18.68129041 -18.68139514 1.309087758e-05 31.15338529 31.15627195 0.0008401921874
|
|
537 8 200.201625 -18.80161506 -18.80064764 0.0001209273464 30.67800194 30.66856199 0.001740473334
|
|
538 8 200.201625 -18.74714682 -18.74504884 0.0002622475186 30.75280899 30.77938269 0.003613915527
|
|
539 8 200.201625 -18.6588256 -18.66005422 0.0001535771746 31.37879397 31.37212149 0.002859470745
|
|
540 8 200.201625 -18.77384814 -18.77340211 5.57541103e-05 30.81376289 30.80416434 0.00185058658
|
|
541 8 200.201625 -18.55198949 -18.55295657 0.0001208848679 31.74853907 31.74906423 0.0006991450759
|
|
542 8 200.201625 -18.40868551 -18.41070213 0.0002520779015 32.34351031 32.34452344 0.001253230735
|
|
543 8 200.201625 -17.89105278 -17.88856291 0.0003112343255 34.77395146 34.78534974 0.003213921064
|
|
544 8 200.201625 -18.59353194 -18.59477836 0.0001558029226 31.67591537 31.67341166 0.002706054455
|
|
545 8 200.201625 -18.01982052 -18.02137446 0.0001942424085 33.95076391 33.94393986 0.004020548947
|
|
546 8 200.201625 -18.73128048 -18.7307373 6.789711083e-05 30.90579105 30.91299611 0.001541465474
|
|
547 8 200.201625 -18.09034744 -18.09027425 9.148505018e-06 33.88352556 33.88885464 0.002146622301
|
|
548 8 200.201625 -18.79468573 -18.79335343 0.0001665371328 30.68033686 30.67599676 0.0007105844824
|
|
549 8 200.201625 -18.6309523 -18.63120248 3.127189757e-05 31.32827629 31.33966545 0.002078978611
|
|
550 8 200.201625 -18.67857237 -18.6784368 1.694665088e-05 31.17786252 31.17929812 0.0005261398178
|
|
551 8 200.201625 -18.7538337 -18.75114728 0.0003358027026 30.70976032 30.73982493 0.003800838841
|
|
552 8 200.201625 -18.70528989 -18.70583195 6.775739416e-05 31.1526576 31.14421208 0.002607448897
|
|
553 8 200.201625 -18.75624483 -18.75681641 7.144805245e-05 30.93468768 30.921787 0.002817739378
|
|
554 8 200.201625 -18.80694109 -18.80684013 1.262058026e-05 30.69448807 30.67910581 0.002514695236
|
|
555 8 200.201625 -18.48315844 -18.4840621 0.0001129569993 32.11044768 32.10984834 0.001623113558
|
|
556 8 200.201625 -18.63561829 -18.63592691 3.857786474e-05 31.40594537 31.4037294 0.001142303294
|
|
557 8 200.201625 -18.76428693 -18.76452336 2.95541939e-05 30.88228888 30.87041301 0.002510826122
|
|
558 8 200.201625 -18.62523317 -18.62526181 3.579470356e-06 31.33662697 31.35115512 0.002710005311
|
|
559 8 200.201625 -18.72208151 -18.72123383 0.0001059605364 30.93542552 30.9458618 0.001985332267
|
|
560 8 200.201625 -18.76205909 -18.76046279 0.0001995379318 30.7033997 30.72575808 0.003353976932
|
|
561 8 200.201625 -18.73243094 -18.732629 2.475799109e-05 31.02728631 31.01773725 0.002549773476
|
|
562 8 200.201625 -18.37488061 -18.37603134 0.0001438409796 32.65525964 32.66208798 0.002973499893
|
|
563 8 200.201625 -18.77277681 -18.7731619 4.813651945e-05 30.85794956 30.84420089 0.002738051962
|
|
564 8 200.201625 -18.53269694 -18.53216409 6.660654281e-05 31.70626798 31.72504262 0.004608860208
|
|
565 8 200.201625 -18.73542771 -18.73539263 4.385613556e-06 30.99505023 30.98676475 0.002193419454
|
|
566 8 200.201625 -18.69296734 -18.69280383 2.043834034e-05 31.14238613 31.14008455 0.001259890744
|
|
567 8 200.201625 -18.79124918 -18.79104996 2.490308269e-05 30.75646067 30.74333236 0.00234815994
|
|
568 8 200.201625 -18.06952421 -18.07161118 0.0002608716956 33.74691085 33.74134139 0.003752025513
|
|
569 8 200.201625 -18.40018664 -18.40144347 0.0001571034939 32.52687265 32.53072022 0.00233947151
|
|
570 8 200.201625 -18.32466672 -18.32645301 0.0002232866173 32.76971001 32.7663243 0.001694671088
|
|
571 8 200.201625 -18.75377307 -18.75267663 0.0001370550805 30.77326824 30.78777797 0.002536341699
|
|
572 8 200.201625 -18.72499732 -18.72489852 1.235052987e-05 31.02744382 31.02098102 0.001906507206
|
|
573 8 200.201625 -18.76022483 -18.75950863 8.952528669e-05 30.8336101 30.83016668 0.0007673586558
|
|
574 8 200.201625 -18.47822685 -18.47940182 0.0001468715648 31.99172182 32.00108484 0.00286361442
|
|
575 8 200.201625 -18.02351928 -18.02259285 0.0001158036456 34.19870516 34.21050276 0.003405170816
|
|
576 8 200.201625 -18.68881494 -18.68871226 1.283521348e-05 31.09643671 31.10351269 0.0015395069
|
|
577 8 200.201625 -18.66827435 -18.6687865 6.401832885e-05 31.31102676 31.30501687 0.00242128798
|
|
578 8 200.201625 -18.75749605 -18.75659384 0.0001127763968 30.81924303 30.82069275 0.0006270282091
|
|
579 8 200.201625 -18.59879671 -18.59995825 0.0001451927023 31.64369692 31.64059464 0.002640231715
|
|
580 8 200.201625 -18.76213286 -18.76113973 0.0001241411039 30.75930198 30.76839872 0.001821612632
|
|
581 8 200.201625 -18.80187663 -18.80217784 3.765094019e-05 30.73044762 30.71424315 0.002560411588
|
|
582 8 200.201625 -18.19922894 -18.20186302 0.0003292595999 33.2868625 33.2798813 0.002340911483
|
|
583 8 200.201625 -18.54000314 -18.54092515 0.0001152513593 31.80150413 31.80211829 0.0007419955416
|
|
584 8 200.201625 -18.73330062 -18.73358612 3.568746319e-05 31.0248311 31.01497647 0.002593590963
|
|
585 8 200.201625 -18.7425517 -18.74091997 0.0002039665984 30.79289625 30.81498501 0.003262876993
|
|
586 8 200.201625 -18.70353194 -18.69908999 0.0005552440076 30.90272712 30.93813246 0.005645391034
|
|
587 8 200.201625 -18.6888967 -18.68871417 2.281598897e-05 31.14375571 31.14369227 0.0008196915533
|
|
588 8 200.201625 -18.78203888 -18.7810821 0.0001195975609 30.73864686 30.73411684 0.00102066019
|
|
589 8 200.201625 -17.74092342 -17.74322493 0.0002876883382 35.16545751 35.14356721 0.006080501254
|
|
590 8 200.201625 -18.29792024 -18.29871267 9.905429696e-05 32.99362677 33.0019943 0.003114601085
|
|
591 8 200.201625 -18.15039804 -18.15325866 0.0003575775053 33.47240961 33.46490766 0.002586121419
|
|
592 8 200.201625 -18.60235963 -18.60290278 6.789417298e-05 31.4484556 31.46025977 0.002332353309
|
|
593 8 200.201625 -18.66036521 -18.66078818 5.287126426e-05 31.33375208 31.32865154 0.002184774363
|
|
594 8 200.201625 -18.70618619 -18.7053415 0.0001055866857 30.96874493 30.98694306 0.002832525314
|
|
595 8 200.201625 -18.74946255 -18.74623602 0.0004033160473 30.72084824 30.75310722 0.003909200153
|
|
596 8 200.201625 -18.1485456 -18.14838807 1.969072503e-05 33.64997356 33.66053127 0.003318628518
|
|
597 8 200.201625 -18.62327601 -18.62371537 5.492058019e-05 31.43411806 31.43454783 0.0004926216866
|
|
598 8 200.201625 -18.67717338 -18.67834085 0.0001459340405 31.29618603 31.28854353 0.002871064171
|
|
599 8 200.201625 -18.59563026 -18.59660671 0.0001220563004 31.64014355 31.63704651 0.00237009839
|
|
600 8 200.201625 -18.7646877 -18.76451397 2.171668538e-05 30.86641912 30.85598004 0.002066804652
|
|
601 8 200.201625 -18.21745071 -18.21818192 9.140093266e-05 33.08454405 33.08838733 0.004757475947
|
|
602 8 200.201625 -18.76675272 -18.7652206 0.0001915154906 30.69910047 30.71780143 0.003034944272
|
|
603 8 200.201625 -18.65111679 -18.65141935 3.781954039e-05 31.36599015 31.3616151 0.001828511466
|
|
604 8 200.201625 -18.6484537 -18.64954351 0.0001362258963 31.42211154 31.41628364 0.002774201169
|
|
605 8 200.201625 -18.5291562 -18.53017605 0.0001274807946 31.90981473 31.90844345 0.001789518258
|
|
606 8 200.201625 -18.76206756 -18.76206564 2.399342143e-07 30.88428157 30.8733052 0.002215583271
|
|
607 8 200.201625 -18.2262893 -18.22903582 0.0003433151887 33.1313274 33.12716182 0.002151932479
|
|
608 8 200.201625 -18.61069976 -18.61183888 0.0001423901992 31.59857016 31.59525028 0.00273068819
|
|
609 8 200.201625 -18.78584872 -18.78582688 2.73027149e-06 30.78364551 30.77042018 0.002348322872
|
|
610 8 200.201625 -18.33062046 -18.33189416 0.0001592123696 32.61448347 32.62120095 0.003970417287
|
|
611 8 200.201625 -18.7985247 -18.79850544 2.407469713e-06 30.73477793 30.71977199 0.002443988906
|
|
612 8 200.201625 -18.80750902 -18.80748435 3.083643373e-06 30.69937594 30.68323853 0.002446303298
|
|
613 8 200.201625 -18.70895998 -18.70876476 2.440269655e-05 31.07459355 31.07104568 0.001123511062
|
|
614 8 200.201625 -18.02138018 -18.02219921 0.0001023784267 33.92468169 33.91912841 0.004618449435
|
|
615 8 200.201625 -18.16807485 -18.17025857 0.0002729654768 33.33486899 33.33269249 0.003428602276
|
|
# Strain.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
616 8 200.3335508 -38.69851826 -38.70258669 0.0005085532969 9.106674541e-05 0 1.505349228e-05
|
|
617 8 229.4398214 -37.68797531 -37.67775132 0.001277999125 4.717789574e-05 0 6.718949546e-06
|
|
618 8 228.0782799 -37.92286064 -37.92256116 3.743561174e-05 7.823519926e-05 0 1.385257535e-05
|
|
619 8 217.5990433 -38.35253586 -38.35404444 0.0001885730074 6.701472006e-05 0 1.139934432e-05
|
|
620 8 203.2571875 -37.96539637 -37.97890348 0.001688389321 2.826200826e-05 0 5.178106899e-06
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621 8 202.6170281 -38.11696361 -38.10663521 0.001291049565 5.104226148e-05 0 7.184906611e-06
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|
622 8 166.9416446 -37.06763773 -37.06560865 0.0002536353957 0.0002141796296 0 3.437772264e-05
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|
623 8 211.7144728 -38.44271796 -38.44489458 0.0002720774975 6.163602386e-05 0 1.06784274e-05
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|
624 8 214.1832155 -38.22795836 -38.22591978 0.0002548228133 5.630133259e-05 0 9.367036211e-06
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|
625 8 196.1054575 -38.70962361 -38.71102348 0.0001749834428 6.872857522e-05 0 9.105013641e-06
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|
626 8 177.8472768 -37.94320441 -37.9483308 0.0006407982507 0.0002130308276 0 3.996550871e-05
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|
627 8 189.5028666 -38.13065613 -38.13417254 0.0004395518395 0.0001180659974 0 2.107286952e-05
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|
628 8 162.7593198 -36.66860367 -36.6664979 0.0002632216923 0.0002772886709 0 4.430943597e-05
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|
629 8 184.9266458 -38.46861128 -38.46259083 0.0007525562525 0.0001699893575 0 2.662868294e-05
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|
630 8 189.2373161 -38.07310045 -38.07805907 0.0006198271199 9.677744706e-05 0 1.630138452e-05
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|
631 8 187.4715245 -38.41925568 -38.41703276 0.0002778653107 9.663067638e-05 0 1.291512289e-05
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|
632 8 211.5385643 -38.46457369 -38.4679551 0.0004226764774 7.089123767e-05 0 1.290166834e-05
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|
633 8 163.0620529 -36.25149872 -36.26472406 0.001653167891 0.0002295798106 0 4.133151399e-05
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|
634 8 202.9235577 -38.11906961 -38.1282619 0.001149036813 4.955540984e-05 0 8.900243364e-06
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|
635 8 180.9458101 -38.0687416 -38.08222169 0.001685010901 0.000144607137 0 1.93955586e-05
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|
636 8 221.7281625 -38.13934902 -38.1401102 9.514767141e-05 6.495614346e-05 0 8.872680992e-06
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|
637 8 198.326172 -38.28467677 -38.28172569 0.000368885237 3.768795741e-05 0 6.026241628e-06
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|
638 8 191.0071238 -38.27262234 -38.28758136 0.001869877256 8.814376138e-05 0 1.510565356e-05
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|
639 8 176.7300035 -37.32476083 -37.3050262 0.002466828466 0.0001556366072 0 2.374470646e-05
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|
640 8 165.8100483 -36.9616433 -36.95721097 0.000554041554 0.0001871396231 0 2.813147464e-05
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|
641 8 195.8480944 -38.444836 -38.43899557 0.0007300534914 8.840097129e-05 0 1.485238596e-05
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|
642 8 169.2676996 -37.06654389 -37.05934352 0.000900045877 0.0001013314342 0 1.612782079e-05
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|
643 8 163.1648708 -36.71693541 -36.71493496 0.0002500565204 0.0001092861554 0 1.61334237e-05
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|
644 8 188.1146032 -38.3280808 -38.33632133 0.001030066395 9.47193175e-05 0 1.387019462e-05
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|
645 8 163.5437223 -36.79204297 -36.79425161 0.0002760797057 0.0003052581978 0 5.616665771e-05
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|
646 8 221.1237548 -38.21489862 -38.21519129 3.658338723e-05 7.138055112e-05 0 1.218997529e-05
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|
647 8 227.4098215 -37.9853209 -37.98550076 2.248257474e-05 5.370652278e-05 0 8.371473364e-06
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|
648 8 194.0426321 -38.16556261 -38.15380832 0.001469286098 8.210838637e-05 0 1.500917419e-05
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|
649 8 218.2653475 -38.0762442 -38.07617611 8.510864514e-06 5.350364044e-05 0 9.59238028e-06
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|
650 8 221.0594946 -38.10131198 -38.10211299 0.0001001258546 6.14980212e-05 0 1.093355435e-05
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|
651 8 202.4676955 -38.40286379 -38.39252912 0.001291833738 5.575614345e-05 0 7.428875263e-06
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|
652 8 246.3593029 -36.97646287 -36.97481197 0.0002063625158 6.075551848e-05 0 1.00307599e-05
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|
653 8 200.3581393 -38.17547812 -38.16239523 0.001635361024 5.900554555e-05 0 9.990066168e-06
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|
654 8 141.8890198 -32.18539096 -32.18589704 6.325995678e-05 0.0005098911747 0 9.340155273e-05
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|
655 8 191.7516584 -38.39819256 -38.39299598 0.0006495728946 4.099454515e-05 0 6.494890939e-06
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|
656 8 178.5473794 -37.97383543 -37.98407917 0.001280467314 0.0001405589757 0 1.775946109e-05
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|
657 8 177.8713076 -37.94831021 -37.95163819 0.0004159968856 0.000199157482 0 3.374795793e-05
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|
658 8 203.7057823 -38.255205 -38.24193762 0.001658422374 5.852668534e-05 0 1.126936181e-05
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|
659 8 221.8525243 -37.87806192 -37.87591984 0.0002677601088 5.236084112e-05 0 7.424149863e-06
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|
660 8 149.0403918 -34.12337495 -34.1201446 0.0004037931706 0.0004190566854 0 6.630129793e-05
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|
661 8 180.8623672 -38.23030688 -38.23180712 0.0001875303768 0.0001831888603 0 3.273223364e-05
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|
662 8 137.6430743 -30.75391768 -30.75189792 0.0002524697257 0.0004927009153 0 8.57272442e-05
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|
663 8 197.135318 -38.249636 -38.23907453 0.001320183988 7.379034426e-05 0 1.143850822e-05
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|
664 8 173.2294161 -37.65765174 -37.6586922 0.0001300579415 0.0001935115688 0 2.876695528e-05
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|
665 8 169.9240347 -37.5285946 -37.53059169 0.0002496358303 0.0003322246836 0 6.315433724e-05
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|
666 8 186.4922502 -38.24891845 -38.25030306 0.0001730762902 0.0001169580839 0 1.553633203e-05
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|
667 8 231.7140705 -37.45860024 -37.44655603 0.001505526027 3.064188418e-05 0 4.815178173e-06
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|
668 8 188.2844459 -38.40686984 -38.40387361 0.0003745282708 0.0001321851836 0 2.379328486e-05
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|
669 8 176.2720605 -37.65121308 -37.64901469 0.0002747992045 0.0001715359827 0 2.59941729e-05
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|
670 8 148.3227116 -33.96397357 -33.95941672 0.0005696062317 0.0004049394625 0 6.810216976e-05
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|
671 8 169.4815337 -37.40396942 -37.41150461 0.0009418992921 0.0002512596239 0 3.717316208e-05
|
|
672 8 223.5961964 -37.88513716 -37.88116747 0.0004962114518 6.926593234e-05 0 1.364158704e-05
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|
673 8 210.7071543 -38.47881862 -38.48146633 0.0003309636697 2.193199318e-05 0 3.199426231e-06
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|
674 8 189.0498251 -38.35817629 -38.36376178 0.0006981867207 0.0001062527451 0 1.4851089e-05
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|
675 8 189.2172923 -38.1759263 -38.17149294 0.0005541699145 0.0001139303732 0 1.961552277e-05
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|
676 8 165.8045836 -36.99082763 -36.99497347 0.0005182299015 0.0002191472377 0 3.479308977e-05
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|
677 8 223.3891367 -37.84853539 -37.84502676 0.0004385790721 5.942805569e-05 0 9.651131144e-06
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|
678 8 251.2864893 -36.70047356 -36.69980308 8.380965565e-05 6.030348313e-05 0 1.008391545e-05
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|
679 8 150.038164 -34.40054562 -34.39618318 0.0005453056163 0.0002395511943 0 3.887513621e-05
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|
680 8 176.6711513 -37.94976164 -37.9620267 0.001533132099 0.0001435861671 0 2.024896289e-05
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|
681 8 173.6781768 -37.58583307 -37.58580998 2.886767619e-06 0.0002362112447 0 4.043799453e-05
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|
682 8 164.4272804 -36.72692474 -36.73718943 0.001283086794 0.0002647925406 0 4.546392841e-05
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|
683 8 201.9318491 -38.63964985 -38.64271162 0.0003827210916 7.979245142e-05 0 1.400715564e-05
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|
684 8 178.915824 -38.06868306 -38.06390433 0.0005973413943 0.0001524088975 0 2.222710519e-05
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|
685 8 186.137401 -38.35553824 -38.3506291 0.0006136422809 0.0001272285521 0 1.822280757e-05
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|
686 8 214.4694873 -38.20582969 -38.20349423 0.0002919330667 4.923142485e-05 0 8.542496231e-06
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|
687 8 181.5897676 -38.16553764 -38.17182774 0.000786262058 0.0002073685369 0 4.135793159e-05
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|
688 8 167.515933 -37.1927535 -37.20028774 0.0009417799581 0.0001731689594 0 1.973853161e-05
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|
689 8 176.0508922 -37.99785715 -37.9956655 0.0002739565372 0.0002764869244 0 5.097595908e-05
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|
690 8 182.8085861 -37.6538985 -37.6417173 0.00152264993 0.0001536200128 0 2.442563315e-05
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|
691 8 210.0945817 -38.1446121 -38.13342759 0.001398064305 4.551013696e-05 0 8.163405338e-06
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|
692 8 178.665713 -37.92769207 -37.92785728 2.065176673e-05 0.0001817798843 0 2.977651056e-05
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|
693 8 215.9752421 -38.02375444 -38.01680861 0.0008682287559 4.442390123e-05 0 6.100226237e-06
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|
694 8 165.0314682 -36.85513996 -36.86219055 0.0008813232586 0.0002804486358 0 4.870672609e-05
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|
695 8 165.1229899 -36.37094579 -36.37496414 0.0005022941785 0.0002213574746 0 3.639728448e-05
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696 8 203.8768931 -38.60681489 -38.60882595 0.0002513822875 5.417959974e-05 0 7.383693377e-06
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697 8 195.7185102 -38.42068237 -38.41164674 0.00112945424 7.495393284e-05 0 1.245865167e-05
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|
698 8 195.0149707 -38.37473584 -38.37471854 2.162887648e-06 7.136162316e-05 0 1.233429209e-05
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699 8 210.025617 -38.54847418 -38.5528798 0.0005507024241 5.319653649e-05 0 7.21011986e-06
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700 8 178.1759417 -37.75040443 -37.74907836 0.0001657590167 0.0001763577501 0 2.688733709e-05
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|
701 8 215.9057921 -37.99332508 -37.98660224 0.0008403551136 5.299597675e-05 0 9.390591447e-06
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702 8 203.217777 -38.03461836 -38.05536061 0.00259278159 4.620527355e-05 0 8.747005717e-06
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703 8 232.680727 -37.70775093 -37.70848743 9.206303312e-05 8.271562774e-05 0 1.540643101e-05
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704 8 177.8274734 -37.70156283 -37.69848404 0.0003848485187 0.0001316649316 0 2.029656717e-05
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705 8 209.6322873 -38.16981367 -38.1581976 0.001452009287 4.904003976e-05 0 7.503421831e-06
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706 8 189.3908007 -38.22089114 -38.2271875 0.0007870444711 9.809367188e-05 0 1.349105997e-05
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707 8 211.7697192 -38.11962869 -38.10974495 0.001235467924 5.900802318e-05 0 1.012163266e-05
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708 8 187.516657 -38.19528734 -38.18945929 0.0007285059921 0.000136582625 0 2.373241802e-05
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|
709 8 178.988231 -37.86556764 -37.87240443 0.0008545982508 0.0001730118975 0 2.517212067e-05
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|
710 8 176.9270057 -37.87922253 -37.88970065 0.001309765122 0.0001478077255 0 2.087504171e-05
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|
711 8 188.9104606 -38.50529322 -38.49810833 0.000898111815 0.00010742309 0 1.538576445e-05
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|
712 8 158.7492019 -36.09835821 -36.09178528 0.0008216162319 0.0002383230193 0 3.751708906e-05
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|
713 8 217.9860651 -37.62783065 -37.64255672 0.001840758691 3.392020331e-05 0 5.720338743e-06
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714 8 175.5110877 -37.53641132 -37.53226806 0.000517907574 0.0001819390629 0 3.174393963e-05
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|
715 8 183.072822 -37.63210727 -37.61645032 0.001957118497 9.38781891e-05 0 1.270678886e-05
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716 8 208.5037009 -38.33980141 -38.33706113 0.0003425348687 5.417322073e-05 0 9.68697307e-06
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717 8 203.2642284 -38.58682758 -38.58927092 0.0003054179287 6.486797189e-05 0 8.948627824e-06
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|
718 8 195.1625734 -38.29348843 -38.28361504 0.00123417359 7.54308982e-05 0 1.139869468e-05
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|
719 8 199.8729233 -38.50646853 -38.49831134 0.001019649145 5.256121622e-05 0 7.23633741e-06
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|
720 8 164.697941 -36.87144673 -36.86418265 0.0009080105033 0.0003155208469 0 6.132232019e-05
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|
721 8 191.9163409 -38.11890445 -38.12571285 0.0008510503708 5.82021111e-05 0 9.680687621e-06
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|
722 8 169.4969962 -37.17006286 -37.16018574 0.001234639419 0.0002140417875 0 3.324158544e-05
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|
723 8 228.1120265 -37.84475467 -37.84172597 0.0003785872505 5.006205391e-05 0 7.380589913e-06
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|
724 8 168.8944757 -37.3114901 -37.31755842 0.0007585402746 0.0002441616708 0 3.610095192e-05
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|
725 8 180.9898447 -38.15330516 -38.15256177 9.29239302e-05 0.0001992845218 0 3.097637832e-05
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|
726 8 158.9971961 -35.94699261 -35.95761802 0.001328175871 0.000148339882 0 2.386330569e-05
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|
727 8 151.0609459 -34.62427108 -34.61909272 0.0006472943912 0.0002466494252 0 3.686207167e-05
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|
728 8 176.4503294 -37.84563432 -37.85506345 0.001178641412 0.0001951383977 0 3.241649842e-05
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|
729 8 181.5066021 -37.89757582 -37.89464269 0.0003666412551 0.0001716273398 0 3.182606395e-05
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|
730 8 203.909696 -38.59821829 -38.6013366 0.0003897890407 7.757059185e-05 0 1.399901168e-05
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|
731 8 205.1126777 -38.63862413 -38.64391104 0.0006608633769 6.973661255e-05 0 1.240521033e-05
|
|
732 8 184.5445717 -38.25533177 -38.25124586 0.0005107382053 0.000149739817 0 2.519056223e-05
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|
733 8 199.8401153 -38.49755284 -38.49052576 0.0008783846458 6.415170729e-05 0 1.015731626e-05
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|
734 8 223.1986796 -38.01319134 -38.00996625 0.0004031359352 6.868719186e-05 0 1.168467941e-05
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|
735 8 199.6805693 -38.11366598 -38.12342029 0.001219288408 2.888728255e-05 0 4.489538256e-06
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|
736 8 252.8403791 -36.603928 -36.60069974 0.0004035324606 3.515854208e-05 0 4.998917617e-06
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|
737 8 198.5107918 -38.55599687 -38.55416607 0.0002288497243 7.303751719e-05 0 1.156330565e-05
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|
738 8 240.2746556 -37.14626483 -37.1201504 0.003264303288 5.692531545e-05 0 9.216718233e-06
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|
739 8 259.7921517 -36.17692328 -36.16807589 0.001105923976 6.588422166e-05 0 1.114638419e-05
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|
740 8 208.9685096 -38.26749844 -38.25731067 0.001273471608 4.496944171e-05 0 6.798987805e-06
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|
741 8 177.7599007 -37.94415088 -37.94132829 0.0003528241519 0.0001808056217 0 2.856601859e-05
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|
742 8 172.6442454 -37.41747423 -37.40288021 0.001824252787 0.0002015106547 0 3.020138454e-05
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|
743 8 241.5000559 -37.19891101 -37.18998008 0.001116366392 2.222665706e-05 0 3.529932955e-06
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|
744 8 196.2156966 -38.33860547 -38.32809071 0.001314344814 7.223816808e-05 0 1.260949718e-05
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|
745 8 203.9057851 -38.26988765 -38.26043357 0.001181759961 4.862385377e-05 0 8.284957055e-06
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|
746 8 199.4411869 -38.51017376 -38.50073488 0.001179859567 6.259500861e-05 0 9.546721818e-06
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|
747 8 161.6371721 -36.54555552 -36.54552229 4.153243172e-06 0.0002959606554 0 5.411150386e-05
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|
748 8 190.7988936 -38.33844651 -38.33313359 0.0006641155809 7.593898044e-05 0 8.683892348e-06
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|
749 8 177.5846932 -38.09227176 -38.08884104 0.0004288403754 0.0001665700828 0 2.306206758e-05
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|
750 8 183.4941491 -38.13671096 -38.14896174 0.001531346976 5.789319036e-05 0 7.887059161e-06
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|
751 8 217.0790583 -38.11776766 -38.11551751 0.0002812681673 5.247676366e-05 0 9.175038301e-06
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|
752 8 190.5854002 -37.99818325 -38.00238369 0.0005250555186 6.396678314e-05 0 9.47467276e-06
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|
753 8 186.9273445 -38.52082241 -38.51484545 0.000747119834 5.737041371e-05 0 8.200432258e-06
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|
754 8 163.1480345 -36.63049129 -36.63011742 4.673345381e-05 0.0002677516322 0 4.822295287e-05
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|
755 8 175.7133436 -37.51699143 -37.50782974 0.001145210776 0.0001924022217 0 3.230060543e-05
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|
756 8 187.4352249 -38.18379046 -38.19574518 0.001494339981 0.0001207384389 0 1.983821035e-05
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|
757 8 235.9667545 -37.45373202 -37.44663736 0.000886832531 7.94810559e-05 0 1.370672203e-05
|
|
758 8 188.7917546 -38.52681305 -38.51944094 0.0009215140904 0.0001262389953 0 2.019410957e-05
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|
759 8 198.6797261 -38.55646318 -38.55319409 0.0004086368099 7.275502537e-05 0 1.23999289e-05
|
|
760 8 218.5738522 -38.26363805 -38.26396663 4.10730295e-05 6.069380565e-05 0 8.428603689e-06
|
|
761 8 197.9237998 -38.51662013 -38.5080721 0.001068503855 6.242009227e-05 0 1.015254417e-05
|
|
762 8 202.6115429 -38.27587039 -38.26933466 0.0008169660267 5.225914811e-05 0 9.272486842e-06
|
|
763 8 161.98975 -36.55197089 -36.530783 0.002648486597 0.0002796715054 0 4.685783299e-05
|
|
764 8 192.1771401 -38.5632029 -38.55583708 0.0009207272845 8.377038606e-05 0 1.393424308e-05
|
|
765 8 167.5395855 -37.13012911 -37.13792633 0.0009746520141 7.413555936e-05 0 7.991423174e-06
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|
766 8 169.0524849 -37.04021019 -37.03710464 0.000388194248 0.0001449678773 0 2.236584203e-05
|
|
767 8 236.4569363 -37.5380985 -37.54088985 0.0003489184082 7.29555341e-05 0 1.146908039e-05
|
|
768 8 182.4185299 -38.29443959 -38.29103906 0.0004250662519 0.0002045338712 0 3.696955329e-05
|
|
769 8 190.3775792 -38.05625088 -38.05365894 0.0003239922821 7.960718278e-05 0 1.236685491e-05
|
|
770 8 176.8166536 -38.0751739 -38.07517253 1.712451674e-07 0.0002592805024 0 4.760641042e-05
|
|
771 8 194.4023596 -38.67893945 -38.67858527 4.427260181e-05 9.249748466e-05 0 1.586344274e-05
|
|
772 8 229.8429753 -37.50308203 -37.49215139 0.001366329777 5.100328361e-05 0 8.161222037e-06
|
|
773 8 205.2030871 -38.4161655 -38.40770728 0.001057276946 3.979246758e-05 0 6.47352389e-06
|
|
774 8 192.603993 -38.2694804 -38.27252129 0.0003801108301 7.322965073e-05 0 1.028376776e-05
|
|
775 8 199.8416718 -38.64801871 -38.64865823 7.993976365e-05 6.449337877e-05 0 1.134741261e-05
|
|
776 8 206.3467645 -38.15488594 -38.13954779 0.001917268398 3.908636098e-05 0 6.640928348e-06
|
|
777 8 189.698767 -38.15339468 -38.16755307 0.001769799081 9.923908824e-05 0 1.498578561e-05
|
|
778 8 199.5217211 -38.1636458 -38.14767289 0.001996613383 6.449087243e-05 0 1.104668536e-05
|
|
# aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
779 216 5415.868678 -1039.942801 -1039.913414 0.0001360481698 0.88668008 1.017938253 0.00557537424
|
|
780 216 5415.868678 -1039.971812 -1039.940401 0.0001454212906 0.4342154723 0.4416147911 0.004763467127
|
|
781 216 5415.868678 -1039.978664 -1039.942313 0.0001682881848 0.3280854404 0.3740876674 0.005311652942
|
|
782 216 5415.868678 -1039.98283 -1039.948068 0.0001609351614 0.2491041922 0.220094134 0.00491712417
|
|
783 216 5415.868678 -1039.984572 -1039.950337 0.0001584960621 0.2315582559 0.1757734766 0.005419253053
|
|
784 216 5415.868678 -1039.985438 -1039.95188 0.0001553592869 0.2254240536 0.1165465795 0.004849216094
|
|
785 216 5415.868678 -1039.985832 -1039.952499 0.0001543192051 0.2334761445 0.1440125494 0.004880491582
|
|
786 216 5415.868678 -1039.986901 -1039.952996 0.0001569634185 0.2184727836 0.1072842068 0.004783673475
|
|
787 216 5415.868678 -1039.851495 -1039.962403 0.0005134629595 1.219749664 1.1595725 0.008734139644
|
|
788 216 5415.868678 -1039.897052 -1039.990461 0.0004324516067 0.7068015126 0.4417744661 0.007707159777
|
|
789 216 5415.868678 -1039.909055 -1039.988357 0.0003671379728 0.5587704598 0.3432431721 0.007955958254
|
|
790 216 5415.868678 -1039.91606 -1039.992099 0.0003520327484 0.514744561 0.2217566222 0.00795620545
|
|
791 216 5415.868678 -1039.92262 -1039.993394 0.0003276541743 0.4792694012 0.1853806847 0.00858152191
|
|
792 216 5415.868678 -1039.92407 -1039.993081 0.0003194959687 0.4734169397 0.2083624888 0.008744065326
|
|
793 216 5415.868678 -1039.942801 -1039.913414 0.0001360481698 0.88668008 1.017938253 0.00557537424
|
|
794 216 5415.868678 -1039.971812 -1039.940401 0.0001454212906 0.4342154723 0.4416147911 0.004763467127
|
|
795 216 5415.868678 -1039.978664 -1039.942313 0.0001682881848 0.3280854404 0.3740876674 0.005311652942
|
|
796 216 5415.868678 -1039.98283 -1039.948068 0.0001609351614 0.2491041922 0.220094134 0.00491712417
|
|
797 216 5415.868678 -1039.984572 -1039.950337 0.0001584960621 0.2315582559 0.1757734766 0.005419253053
|
|
798 216 5415.868678 -1039.985438 -1039.95188 0.0001553592869 0.2254240536 0.1165465795 0.004849216094
|
|
799 216 5415.868678 -1039.985832 -1039.952499 0.0001543192051 0.2334761445 0.1440125494 0.004880491582
|
|
800 216 5415.868678 -1039.986901 -1039.952996 0.0001569634185 0.2184727836 0.1072842068 0.004783673475
|
|
801 216 5415.868678 -1039.942801 -1039.913414 0.0001360481698 0.88668008 1.017938253 0.00557537424
|
|
802 216 5415.868678 -1039.971812 -1039.940401 0.0001454212906 0.4342154723 0.4416147911 0.004763467127
|
|
803 216 5415.868678 -1039.978664 -1039.942313 0.0001682881848 0.3280854404 0.3740876674 0.005311652942
|
|
804 216 5415.868678 -1039.98283 -1039.948068 0.0001609351614 0.2491041922 0.220094134 0.00491712417
|
|
805 216 5415.868678 -1039.984572 -1039.950337 0.0001584960621 0.2315582559 0.1757734766 0.005419253053
|
|
806 216 5415.868678 -1039.985438 -1039.95188 0.0001553592869 0.2254240536 0.1165465795 0.004849216094
|
|
807 216 5415.868678 -1039.985832 -1039.952499 0.0001543192051 0.2334761445 0.1440125494 0.004880491582
|
|
808 216 5415.868678 -1039.986901 -1039.952996 0.0001569634185 0.2184727836 0.1072842068 0.004783673475
|
|
809 216 5415.868678 -1039.946476 -1039.947071 2.753918135e-06 0.6989509413 0.7413807657 0.004733140508
|
|
810 216 5415.868678 -1039.965129 -1039.966695 7.251608088e-06 0.4373448635 0.4245499835 0.004585776569
|
|
811 216 5415.868678 -1039.975039 -1039.974893 6.727082162e-07 0.2494431887 0.2530880664 0.005551966611
|
|
812 216 5415.868678 -1039.976829 -1039.977291 2.142150022e-06 0.2227501797 0.129504055 0.004637037076
|
|
813 216 5415.868678 -1039.977472 -1039.977676 9.441735074e-07 0.217764684 0.1182526597 0.004463925244
|
|
814 216 5415.868678 -1039.978184 -1039.978139 2.075200282e-07 0.2079809731 0.07186824953 0.004546251828
|
|
815 216 5415.868678 -1039.978635 -1039.978057 2.676130505e-06 0.2047459843 0.08924101881 0.004970560568
|
|
816 216 5415.868678 -1039.979115 -1039.978138 4.520335184e-06 0.2013532485 0.06099855641 0.00485597522
|
|
817 216 5415.868678 -1039.979364 -1039.977959 6.50322907e-06 0.2012813095 0.06363151345 0.004828624147
|
|
818 216 5415.868678 -1039.893746 -1040.021046 0.0005893495793 0.7747124001 0.7322829425 0.006501020393
|
|
819 216 5415.868678 -1039.913311 -1040.03964 0.0005848566431 0.5390821187 0.4170669564 0.006454540985
|
|
820 216 5415.868678 -1039.92356 -1040.046627 0.0005697541367 0.4182661137 0.2544630439 0.006787134229
|
|
821 216 5415.868678 -1039.927299 -1040.048072 0.0005591347443 0.3784372803 0.1307610506 0.006377410177
|
|
822 216 5415.868678 -1039.929257 -1040.047681 0.0005482592507 0.3613690424 0.1384518274 0.006331807347
|
|
823 216 5415.868678 -1039.931319 -1040.048038 0.0005403645066 0.3507889008 0.08134266113 0.00654743186
|
|
824 216 5415.868678 -1039.932782 -1040.047773 0.0005323656436 0.3473609774 0.09315793582 0.006911288663
|
|
825 216 5415.868678 -1039.934328 -1040.047133 0.0005222415607 0.3423800774 0.06687219325 0.006818810226
|
|
826 216 5415.868678 -1039.936737 -1040.045233 0.0005023003717 0.3386018947 0.08595855114 0.006815046468
|
|
827 216 5415.868678 -1039.851495 -1039.962403 0.0005134629595 1.219749664 1.1595725 0.008734139644
|
|
828 216 5415.868678 -1039.897052 -1039.990461 0.0004324516067 0.7068015126 0.4417744661 0.007707159777
|
|
829 216 5415.868678 -1039.909055 -1039.988357 0.0003671379728 0.5587704598 0.3432431721 0.007955958254
|
|
830 216 5415.868678 -1039.91606 -1039.992099 0.0003520327484 0.514744561 0.2217566222 0.00795620545
|
|
831 216 5415.868678 -1039.92262 -1039.993394 0.0003276541743 0.4792694012 0.1853806847 0.00858152191
|
|
832 216 5415.868678 -1039.92407 -1039.993081 0.0003194959687 0.4734169397 0.2083624888 0.008744065326
|
|
# aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
833 216 5415.868678 -1045.22947 -1045.371605 0.0006580286184 0.3323741269 0.2056122414 0.00658168525
|
|
834 216 5415.868678 -1045.248307 -1045.387251 0.0006432562015 0.4805531314 0.5634887309 0.008312932893
|
|
835 216 5415.868678 -1045.230703 -1045.372662 0.0006572182621 0.3062476371 0.1267534799 0.006426506776
|
|
836 216 5415.868678 -1045.231915 -1045.3726 0.0006513177146 0.2813763415 0.1260010575 0.006729891533
|
|
837 216 5415.868678 -1045.232526 -1045.373362 0.0006520185131 0.2758287221 0.1115001942 0.006522979431
|
|
838 216 5415.868678 -1045.234191 -1045.374601 0.0006500480893 0.2902960863 0.200863598 0.006490126951
|
|
839 216 5415.868678 -1045.234731 -1045.374654 0.0006477909989 0.3067069922 0.2537893242 0.006698934286
|
|
840 216 5415.868678 -1045.235111 -1045.375055 0.0006478859869 0.3097144956 0.2678066546 0.006665192632
|
|
841 216 5415.868678 -1045.236388 -1045.37638 0.0006481121731 0.3221992113 0.3115796338 0.006603306691
|
|
842 216 5415.868678 -1045.239547 -1045.37952 0.0006480211182 0.3621928306 0.399180933 0.007010975921
|
|
843 216 5415.868678 -875.2186124 -875.1039748 0.000530729881 21.84452182 21.65242249 0.07421035666
|
|
844 216 5415.868678 -891.2974163 -891.3737103 0.0003532128429 14.93917395 15.02942454 0.06678751867
|
|
845 216 5415.868678 -1045.761257 -1045.918791 0.0007293256535 0.1250375988 0.08711264222 0.002540436094
|
|
846 216 5415.868678 -1045.761502 -1045.91902 0.0007292516192 0.1180361188 0.05122783398 0.002115109349
|
|
847 216 5415.868678 -1045.761636 -1045.919073 0.0007288749809 0.1155687945 0.051086047 0.002113054539
|
|
848 216 5415.868678 -1045.76183 -1045.919187 0.0007285054393 0.1125874835 0.03946791996 0.002104627868
|
|
849 216 5415.868678 -1045.762213 -1045.919279 0.0007271580437 0.1126745568 0.05102014202 0.002545992216
|
|
850 216 5415.868678 -1045.762358 -1045.919343 0.000726784023 0.1122793017 0.03612120006 0.002347021401
|
|
851 216 5415.868678 -1045.762513 -1045.919359 0.0007261386427 0.1141568333 0.02945396537 0.002199859248
|
|
852 216 5415.868678 -1045.762638 -1045.919408 0.0007257857189 0.109203676 0.01787469703 0.00219189459
|
|
853 216 5415.868678 -1045.762781 -1045.919437 0.0007252572967 0.1035001188 0.01385266321 0.002186923826
|
|
# aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
854 216 5415.868678 -1042.529496 -1042.707856 0.0008257421727 1.034304259 1.124941462 0.01080392776
|
|
855 216 5415.868678 -1042.57239 -1042.753184 0.000837008821 0.4162148624 0.03353359845 0.01066847871
|
|
856 216 5415.868678 -1042.562795 -1042.744782 0.0008425348988 0.5150253898 0.3864978695 0.01047130859
|
|
857 216 5415.868678 -1042.566894 -1042.7478 0.0008375278309 0.4626725443 0.2784465482 0.01089418105
|
|
858 216 5415.868678 -1042.569411 -1042.750729 0.0008394356153 0.4304067888 0.154138691 0.01049035105
|
|
859 216 5415.868678 -1042.570746 -1042.751675 0.0008376365908 0.4219609105 0.1271175868 0.01070216641
|
|
860 216 5415.868678 -1042.571451 -1042.752367 0.0008375723561 0.4181731884 0.07123730969 0.01048081711
|
|
861 216 5415.868678 -1042.571855 -1042.752493 0.0008362902638 0.4178429372 0.08295995956 0.0105196038
|
|
862 216 5415.868678 -1042.572376 -1042.752825 0.0008354115479 0.4135973753 0.05721258148 0.0106937817
|
|
863 216 5415.868678 -1042.572811 -1042.752919 0.0008338293359 0.4106195245 0.06234967692 0.0109292822
|
|
864 216 5415.868678 -1042.529496 -1042.707856 0.0008257421727 1.034304259 1.124941462 0.01080392776
|
|
865 216 5415.868678 -1042.57239 -1042.753184 0.000837008821 0.4162148624 0.03353359845 0.01066847871
|
|
866 216 5415.868678 -1042.562795 -1042.744782 0.0008425348988 0.5150253898 0.3864978695 0.01047130859
|
|
867 216 5415.868678 -1042.566894 -1042.7478 0.0008375278309 0.4626725443 0.2784465482 0.01089418105
|
|
868 216 5415.868678 -1042.569411 -1042.750729 0.0008394356153 0.4304067888 0.154138691 0.01049035105
|
|
869 216 5415.868678 -1042.570746 -1042.751675 0.0008376365908 0.4219609105 0.1271175868 0.01070216641
|
|
870 216 5415.868678 -1042.571451 -1042.752367 0.0008375723561 0.4181731884 0.07123730969 0.01048081711
|
|
871 216 5415.868678 -1042.571855 -1042.752493 0.0008362902638 0.4178429372 0.08295995956 0.0105196038
|
|
872 216 5415.868678 -1042.572376 -1042.752825 0.0008354115479 0.4135973753 0.05721258148 0.0106937817
|
|
873 216 5415.868678 -1042.572811 -1042.752919 0.0008338293359 0.4106195245 0.06234967692 0.0109292822
|
|
# iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
874 217 5415.868678 -1044.25563 -1044.368209 0.0005187979692 1.504213668 1.590246474 0.008494990556
|
|
875 217 5415.868678 -1044.301637 -1044.41869 0.0005394141899 0.3548887945 0.04093255819 0.009002040055
|
|
876 217 5415.868678 -1044.301834 -1044.418765 0.0005388492119 0.3540880192 0.03129665068 0.008958325247
|
|
877 217 5415.868678 -1044.298172 -1044.415602 0.0005411536903 0.4295825526 0.3219369032 0.009319394725
|
|
878 217 5415.868678 -1044.298982 -1044.417297 0.0005452291688 0.381464612 0.1309562771 0.008806172759
|
|
879 217 5415.868678 -1044.299719 -1044.417879 0.0005445154192 0.3711415322 0.08456632131 0.008887444657
|
|
880 217 5415.868678 -1044.300496 -1044.41819 0.0005423684231 0.3615266585 0.05834004719 0.009121437341
|
|
881 217 5415.868678 -1044.30071 -1044.418353 0.0005421340543 0.3600027348 0.03210812629 0.008955424678
|
|
882 217 5415.868678 -1044.300814 -1044.418397 0.0005418559276 0.3599958731 0.03769394437 0.008833983432
|
|
883 217 5415.868678 -1044.301021 -1044.418504 0.0005413945154 0.3584244052 0.03139040994 0.008869690071
|
|
884 217 5415.868678 -1044.301526 -1044.41864 0.0005396932837 0.3556903223 0.04872803704 0.009009969648
|
|
885 217 5415.868678 -1044.548356 -1044.709392 0.0007421005554 0.9327065451 0.9751257662 0.01031147044
|
|
886 217 5415.868678 -1044.572642 -1044.737893 0.0007615241175 0.506029289 0.3531211174 0.008999999692
|
|
887 217 5415.868678 -1044.574445 -1044.7396 0.0007610837931 0.4897922498 0.3683173175 0.009082197657
|
|
888 217 5415.868678 -1044.578928 -1044.744346 0.0007622924439 0.4126199714 0.1556555709 0.00906506298
|
|
889 217 5415.868678 -1044.58015 -1044.745134 0.0007602985474 0.400530369 0.1334004578 0.009216965768
|
|
890 217 5415.868678 -1044.58073 -1044.745909 0.0007611969793 0.4001873073 0.07807150022 0.009117239627
|
|
891 217 5415.868678 -1044.580925 -1044.746182 0.0007615522115 0.4089107976 0.07664864454 0.009100420983
|
|
892 217 5415.868678 -1045.195317 -1045.289392 0.0004335281722 0.3946937096 0.1544435002 0.008784780218
|
|
893 217 5415.868678 -1045.195093 -1045.290273 0.0004386179512 0.3850073013 0.09249652649 0.008229504638
|
|
894 217 5415.868678 -1045.19471 -1045.29058 0.0004417967929 0.3791961464 0.1043850086 0.008100753725
|
|
895 217 5415.868678 -1045.195007 -1045.291072 0.0004426984769 0.3737370903 0.07778684432 0.008101178707
|
|
896 217 5415.868678 -1045.195251 -1045.291378 0.00044298253 0.3707417586 0.08875913387 0.008179300443
|
|
897 217 5415.868678 -1045.195622 -1045.291838 0.0004433899084 0.3792080767 0.05687541319 0.008260165297
|
|
898 217 5415.868678 -1045.19573 -1045.291966 0.0004434818085 0.3915790549 0.06699555054 0.00840894598
|
|
899 217 5415.868678 -1045.196345 -1045.292279 0.0004420925627 0.3928224049 0.04065622818 0.008427032213
|
|
900 217 5415.868678 -1044.989941 -1045.129497 0.0006431113215 0.7616745679 0.7578153703 0.0117960126
|
|
901 217 5415.868678 -1045.000535 -1045.146191 0.0006712245141 0.5073076033 0.2651785197 0.01101728383
|
|
902 217 5415.868678 -1045.000613 -1045.147154 0.0006752998136 0.5118207672 0.272664719 0.0109257954
|
|
903 217 5415.868678 -1045.002144 -1045.150105 0.0006818485377 0.4975954176 0.1577057675 0.01063931757
|
|
904 217 5415.868678 -1045.00309 -1045.151247 0.0006827514492 0.493510331 0.1509006587 0.01087160129
|
|
905 217 5415.868678 -1044.828402 -1045.041747 0.0009831558408 1.139207002 0.9639030481 0.009822760716
|
|
906 217 5415.868678 -1044.854241 -1045.064022 0.0009667316703 0.5759366052 0.4678250268 0.009154181434
|
|
907 217 5415.868678 -1044.854399 -1045.064022 0.0009660084537 0.5847320561 0.4885069345 0.009145333405
|
|
908 217 5415.868678 -1044.86135 -1045.071225 0.0009671654314 0.4307276933 0.1976647031 0.009097306033
|
|
909 217 5415.868678 -1044.862319 -1045.071961 0.0009660904013 0.4182737965 0.1735815301 0.009284008745
|
|
910 217 5415.868678 -1044.828402 -1045.041747 0.0009831558408 1.139207002 0.9639030481 0.009822760716
|
|
911 217 5415.868678 -1044.854241 -1045.064022 0.0009667316703 0.5759366052 0.4678250268 0.009154181434
|
|
912 217 5415.868678 -1044.854399 -1045.064022 0.0009660084537 0.5847320561 0.4885069345 0.009145333405
|
|
913 217 5415.868678 -1044.86135 -1045.071225 0.0009671654314 0.4307276933 0.1976647031 0.009097306033
|
|
914 217 5415.868678 -1044.862319 -1045.071961 0.0009660904013 0.4182737965 0.1735815301 0.009284008745
|
|
# iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
915 217 5415.868678 -1047.887378 -1047.962871 0.0003478941424 0.3065641792 0.1666941805 0.00650326242
|
|
916 217 5415.868678 -1047.887904 -1047.963557 0.0003486323355 0.2590511058 0.062384911 0.0065510839
|
|
917 217 5415.868678 -1047.887877 -1047.963554 0.0003487436602 0.2645500881 0.06583336322 0.006574536491
|
|
918 217 5415.868678 -1047.887996 -1047.963727 0.0003489926532 0.2576715256 0.04913103115 0.006582794294
|
|
919 217 5415.868678 -1047.887982 -1047.96383 0.0003495293104 0.2648869295 0.06683339966 0.006613397055
|
|
920 217 5415.868678 -1047.888053 -1047.963947 0.0003497394366 0.2619285225 0.05616451051 0.006641114193
|
|
921 217 5415.868678 -1047.888093 -1047.964084 0.0003501875833 0.2576253858 0.04961047584 0.00670223517
|
|
922 217 5415.868678 -1048.020211 -1048.121118 0.0004650071545 0.284782902 0.2809369675 0.00665920172
|
|
923 217 5415.868678 -1048.024598 -1048.125913 0.0004668870583 0.2338313976 0.06774237004 0.005611700034
|
|
924 217 5415.868678 -1048.025035 -1048.126029 0.0004654121388 0.2327075573 0.08499741858 0.005694166473
|
|
925 217 5415.868678 -1048.021886 -1048.12339 0.0004677596241 0.2516432202 0.1577884027 0.006032480002
|
|
926 217 5415.868678 -1048.022024 -1048.123456 0.0004674246985 0.2512097699 0.1781628968 0.006109384759
|
|
927 217 5415.868678 -1048.022928 -1048.124344 0.0004673553362 0.2358246639 0.09111081152 0.005953538127
|
|
928 217 5415.868678 -1048.022974 -1048.124351 0.0004671740697 0.2357817639 0.09792675782 0.005989333545
|
|
929 217 5415.868678 -1048.023466 -1048.124774 0.000466857957 0.2302688297 0.07568275 0.006035192273
|
|
930 217 5415.868678 -1048.024019 -1048.125116 0.0004658846404 0.2255927037 0.07452922015 0.006253159659
|
|
931 217 5415.868678 -1048.024197 -1048.125451 0.0004666088093 0.2266281728 0.05461869489 0.006080411658
|
|
932 217 5415.868678 -1048.024347 -1048.125749 0.0004672882575 0.2356177869 0.08069659617 0.005658515137
|
|
933 217 5415.868678 -1048.503621 -1048.650761 0.0006780661612 0.3536044597 0.2177323323 0.006768207201
|
|
934 217 5415.868678 -1048.504318 -1048.651819 0.0006797266128 0.2960062071 0.09934669065 0.006360638616
|
|
935 217 5415.868678 -1048.504293 -1048.651815 0.0006798248054 0.3003400927 0.1011917514 0.006364119944
|
|
936 217 5415.868678 -1048.504715 -1048.652225 0.0006797674462 0.2870842341 0.07297778791 0.006296586547
|
|
937 217 5415.868678 -1048.505102 -1048.652465 0.0006790917512 0.281466346 0.09805056398 0.006259724667
|
|
938 217 5415.868678 -1048.505522 -1048.6528 0.0006787028766 0.2758194887 0.07826885322 0.006295554361
|
|
939 217 5415.868678 -1048.498065 -1048.646292 0.0006830715468 0.3477705668 0.2128658241 0.006821507359
|
|
940 217 5415.868678 -1048.498668 -1048.64733 0.0006850764148 0.3141077733 0.09943664187 0.006652143137
|
|
941 217 5415.868678 -1048.49864 -1048.647328 0.0006851946004 0.3186693797 0.1036313663 0.006669299447
|
|
942 217 5415.868678 -1048.499085 -1048.647762 0.000685150942 0.3061319656 0.07611764095 0.006569882977
|
|
943 217 5415.868678 -1048.499525 -1048.648045 0.0006844218497 0.3010953903 0.1081873822 0.006485438085
|
|
944 217 5415.868678 -1048.499951 -1048.648374 0.0006839777597 0.2956603837 0.09237285975 0.006534409557
|
|
945 217 5415.868678 -1047.996183 -1048.20699 0.0009714602631 0.3890567053 0.2151057956 0.007502395702
|
|
946 217 5415.868678 -1048.001234 -1048.210499 0.0009643568184 0.2970363432 0.02549285035 0.00754004398
|
|
947 217 5415.868678 -1047.998398 -1048.208565 0.0009685142544 0.3323183221 0.1244230481 0.007655202071
|
|
948 217 5415.868678 -1047.999678 -1048.208999 0.0009646099362 0.3057173663 0.1167395518 0.008095350658
|
|
949 217 5415.868678 -1048.000271 -1048.209563 0.0009644791624 0.300161308 0.07604204528 0.007738512656
|
|
950 217 5415.868678 -1048.00074 -1048.20979 0.0009633672646 0.2974447735 0.07088630399 0.007377284174
|
|
951 217 5415.868678 -1048.001031 -1048.210046 0.0009632031994 0.2926905844 0.04610705322 0.007529338798
|
|
952 217 5415.868678 -1048.001176 -1048.210101 0.0009627871056 0.2930672401 0.05938067539 0.007727060886
|
|
953 217 5415.868678 -1048.001197 -1048.210298 0.0009635974778 0.2942255997 0.0418114201 0.007614829327
|
|
954 217 5415.868678 -1048.001162 -1048.210352 0.0009640087874 0.295883241 0.04570540702 0.007571838006
|
|
955 217 5415.868678 -1046.95709 -1046.891795 0.0003008987408 0.1567183603 0.1700518373 0.003878491907
|
|
956 217 5415.868678 -1046.960862 -1046.896057 0.0002986380941 0.1386713399 0.02034620982 0.003013960514
|
|
957 217 5415.868678 -1046.96102 -1046.89605 0.0002994012328 0.138671547 0.02580251953 0.003052922175
|
|
958 217 5415.868678 -1046.957033 -1046.892878 0.0002956453273 0.1659879034 0.1187286726 0.003538823029
|
|
959 217 5415.868678 -1046.956849 -1046.893467 0.0002920823435 0.1891628865 0.1479406956 0.003253064509
|
|
960 217 5415.868678 -1046.957702 -1046.894322 0.0002920732484 0.1709846709 0.1167119712 0.003086984919
|
|
961 217 5415.868678 -1046.959715 -1046.895491 0.000295962132 0.1497237377 0.08258878379 0.00323816107
|
|
962 217 5415.868678 -1046.960294 -1046.895856 0.0002969473712 0.1395246862 0.04173884989 0.00302156175
|
|
963 217 5415.868678 -1046.960467 -1046.895895 0.0002975703509 0.1372401543 0.04118416521 0.002964599079
|
|
964 217 5415.868678 -1046.960609 -1046.895999 0.0002977456115 0.1378171423 0.02244058595 0.003000280915
|
|
965 217 5415.868678 -1046.960684 -1046.896018 0.0002980010078 0.1393014426 0.02951170575 0.003009046789
|
|
966 217 5415.868678 -1047.88747 -1047.962887 0.000347543036 0.2912663985 0.1640326518 0.006332693206
|
|
967 217 5415.868678 -1047.88799 -1047.963621 0.0003485315988 0.2556905994 0.06859171758 0.006392543495
|
|
968 217 5415.868678 -1047.887945 -1047.963624 0.0003487504384 0.2657134759 0.07541819671 0.006429413097
|
|
969 217 5415.868678 -1047.888127 -1047.963809 0.0003487685762 0.2540056876 0.05603855868 0.006395279715
|
|
970 217 5415.868678 -1047.88817 -1047.963984 0.0003493742798 0.256215259 0.07159590343 0.006442253742
|
|
971 217 5415.868678 -1047.888272 -1047.964158 0.0003497056364 0.2517431474 0.05239334705 0.006466285912
|
|
972 217 5415.868678 -1047.888302 -1047.964298 0.0003502158808 0.247636261 0.04998721177 0.006535029669
|
|
973 217 5415.868678 -1047.995717 -1048.207636 0.000976582529 0.3862075209 0.2107035176 0.007392906079
|
|
974 217 5415.868678 -1048.000704 -1048.210544 0.0009670032671 0.3002076402 0.02276257474 0.007495507684
|
|
975 217 5415.868678 -1048.000795 -1048.210581 0.0009667542588 0.3025938878 0.0347022053 0.007483417125
|
|
976 217 5415.868678 -1047.997895 -1048.20913 0.0009734322362 0.3335301005 0.1138751307 0.007624628572
|
|
977 217 5415.868678 -1047.999039 -1048.209503 0.000969881143 0.3109423732 0.1048268015 0.007992815065
|
|
978 217 5415.868678 -1047.999676 -1048.209977 0.0009691291517 0.3049690121 0.06440798169 0.00772499346
|
|
979 217 5415.868678 -1048.000501 -1048.210069 0.0009657469178 0.3008371297 0.09181000988 0.007321183492
|
|
980 217 5415.868678 -1048.000839 -1048.210334 0.0009654140762 0.2912492529 0.0472477842 0.007788733052
|
|
981 217 5415.868678 -1048.000824 -1048.210341 0.0009655162544 0.2917568459 0.04343080238 0.007748222421
|
|
982 217 5415.868678 -1048.000713 -1048.210453 0.0009665417075 0.2958030582 0.02592953378 0.007619376695
|
|
983 217 5415.868678 -1048.000608 -1048.210475 0.0009671250575 0.299190944 0.03036606273 0.007538587595
|
|
984 217 5415.868678 -1047.525033 -1047.556397 0.0001445359646 0.3848428521 0.2219852875 0.008005692502
|
|
985 217 5415.868678 -1047.529353 -1047.558337 0.0001335661298 0.3493153833 0.02097634267 0.007467340952
|
|
986 217 5415.868678 -1047.529608 -1047.558346 0.0001324313122 0.3496628495 0.02774914188 0.007492250112
|
|
987 217 5415.868678 -1047.525694 -1047.557624 0.0001471416342 0.3582791456 0.06408359988 0.00752788376
|
|
988 217 5415.868678 -1047.525686 -1047.557624 0.000147180539 0.3588011396 0.06428820445 0.007546260578
|
|
989 217 5415.868678 -1047.526004 -1047.557789 0.000146476739 0.3571825866 0.04599249524 0.007446073485
|
|
990 217 5415.868678 -1047.526423 -1047.557881 0.0001449678237 0.3575737078 0.0604720343 0.007374158637
|
|
991 217 5415.868678 -1047.526914 -1047.558001 0.0001432536876 0.3547879807 0.04955803213 0.007416794669
|
|
992 217 5415.868678 -1047.528277 -1047.558168 0.0001377469603 0.3476928299 0.03898771179 0.007524550545
|
|
993 217 5415.868678 -1047.528571 -1047.558246 0.0001367485124 0.3481071597 0.02526134694 0.007488787754
|
|
994 217 5415.868678 -1047.528926 -1047.558285 0.0001352949251 0.3493177908 0.03121301858 0.007441143415
|
|
995 217 5415.868678 -1047.376632 -1047.199833 0.0008147425946 0.2846476412 0.1094295726 0.005405084978
|
|
996 217 5415.868678 -1047.377831 -1047.200383 0.0008177362811 0.2610483088 0.0725054687 0.005420036386
|
|
997 217 5415.868678 -1047.379481 -1047.200815 0.0008233493952 0.2269436875 0.06576947468 0.005564179619
|
|
998 217 5415.868678 -1047.380072 -1047.201052 0.000824974918 0.2203099116 0.04258302345 0.005677832662
|
|
999 217 5415.868678 -1047.380746 -1047.201187 0.0008274588423 0.2140133593 0.04583802548 0.005843582874
|
|
1000 217 5415.868678 -1047.380961 -1047.201282 0.0008280128613 0.2161875707 0.0222291738 0.005610019052
|
|
1001 217 5415.868678 -1047.381053 -1047.201287 0.0008284152124 0.2183461829 0.02343844764 0.005488672572
|
|
1002 217 5415.868678 -1047.38123 -1047.201326 0.0008290516139 0.2156199537 0.01731841477 0.005562796381
|
|
1003 217 5415.868678 -1047.381493 -1047.20132 0.000830291979 0.2118044923 0.03172999738 0.00583111253
|
|
1004 217 5415.868678 -1048.240055 -1048.350803 0.0005103567329 0.6949682005 0.3293338275 0.009793557103
|
|
1005 217 5415.868678 -1048.245542 -1048.353641 0.0004981504694 0.5076523872 0.1576327256 0.00963717019
|
|
1006 217 5415.868678 -1048.24619 -1048.353731 0.0004955801019 0.4990509481 0.1782837436 0.009645860352
|
|
1007 217 5415.868678 -1048.248432 -1048.354993 0.0004910659812 0.4917378228 0.1279739886 0.009725809791
|
|
1008 217 5415.868678 -1048.251105 -1048.355858 0.000482731916 0.5298452808 0.1748097437 0.0100094202
|
|
1009 217 5415.868678 -1048.50372 -1048.645441 0.0006530908474 0.3847457174 0.2062737777 0.006880324386
|
|
1010 217 5415.868678 -1048.504818 -1048.646427 0.0006525755405 0.2836051326 0.102252127 0.006451389089
|
|
1011 217 5415.868678 -1048.50481 -1048.646423 0.0006525944499 0.2863294754 0.1082905235 0.00644669009
|
|
1012 217 5415.868678 -1048.50508 -1048.646912 0.0006536044241 0.2828610168 0.082360134 0.006426007458
|
|
1013 217 5415.868678 -1048.505228 -1048.647309 0.000654748938 0.2972917242 0.1221519993 0.006469887368
|
|
1014 217 5415.868678 -1048.505539 -1048.647665 0.0006549594791 0.2874349494 0.1072878071 0.006444504691
|
|
# s_aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1015 64 1604.70183 -304.1344985 -304.1183733 0.0002519564825 1.749334403 2.305478012 0.04370517936
|
|
1016 64 1604.70183 -304.3455957 -304.3336151 0.000187197083 0.2407789422 0.2453241073 0.00948455464
|
|
1017 64 1604.70183 -304.3495605 -304.3359385 0.0002128443137 0.2468210145 0.297290712 0.009527666116
|
|
1018 64 1604.70183 -304.3547481 -304.3410358 0.0002142550166 0.1945704879 0.1889651571 0.006505656264
|
|
1019 64 1604.70183 -304.3562617 -304.3415103 0.0002304906688 0.201992385 0.2390069121 0.007672375572
|
|
1020 64 1604.70183 -304.360348 -304.3453396 0.0002345076039 0.1577315886 0.1580702694 0.006218341942
|
|
1021 64 1604.70183 -304.3616965 -304.345879 0.0002471491169 0.1714829477 0.2095346853 0.007406917758
|
|
1022 64 1604.70183 -304.3644115 -304.3486891 0.000245661614 0.1291372052 0.1167269161 0.005541042787
|
|
1023 64 1604.70183 -304.3644965 -304.3486878 0.0002470107181 0.1302909767 0.1257882307 0.005772845361
|
|
1024 64 1604.70183 -304.3656537 -304.3496753 0.0002496625479 0.1172936329 0.08656506058 0.004633844447
|
|
1025 64 1604.70183 -304.3657279 -304.3496649 0.0002509833095 0.1200383247 0.09839553946 0.004724165516
|
|
1026 64 1604.70183 -304.2527196 -304.2685389 0.000247176143 0.7260044072 0.7739179453 0.01990777489
|
|
1027 64 1604.70183 -304.3666396 -304.35005 0.0002592122214 0.1024644679 0.05548809965 0.004376678459
|
|
1028 64 1604.70183 -304.3666684 -304.3500317 0.0002599485632 0.1025450236 0.05817914918 0.004415798075
|
|
1029 64 1604.70183 -304.3670942 -304.3500689 0.0002660196824 0.0934761195 0.04746432576 0.004810184962
|
|
1030 64 1604.70183 -304.3671362 -304.350039 0.0002671432172 0.0934087116 0.05392276555 0.004921406467
|
|
1031 64 1604.70183 -304.3673863 -304.3501572 0.00026920513 0.09340655044 0.04149611324 0.004658473144
|
|
1032 64 1604.70183 -304.3676038 -304.3500998 0.0002734989695 0.1011344967 0.06573590905 0.004835265669
|
|
1033 64 1604.70183 -304.3677752 -304.3502019 0.00027458393 0.09785763413 0.04268446609 0.004415261542
|
|
1034 64 1604.70183 -304.3679111 -304.3501966 0.000276788578 0.09832997742 0.03759303824 0.004305121492
|
|
1035 64 1604.70183 -304.368051 -304.3502444 0.0002782282431 0.09501560498 0.0266449967 0.004159151131
|
|
1036 64 1604.70183 -304.3682365 -304.3502394 0.0002812043494 0.09229327827 0.03983014607 0.004316636257
|
|
1037 64 1604.70183 -304.2664002 -304.2786375 0.0001912088357 0.6084467757 0.6274608625 0.01769244826
|
|
1038 64 1604.70183 -304.3683469 -304.3502727 0.0002824096582 0.09001832862 0.03407361622 0.00427228947
|
|
1039 64 1604.70183 -304.3685896 -304.350279 0.0002861026001 0.08593978776 0.03649228113 0.004466981231
|
|
1040 64 1604.70183 -304.3686215 -304.3503264 0.0002858619913 0.08629985165 0.02060734287 0.00422748587
|
|
1041 64 1604.70183 -304.368618 -304.3503244 0.0002858377261 0.08834826739 0.02262962547 0.004206345821
|
|
1042 64 1604.70183 -304.2822847 -304.2930629 0.0001684087327 0.5084630059 0.4591655993 0.01446133526
|
|
1043 64 1604.70183 -304.3019132 -304.302465 8.622699103e-06 0.4333781258 0.5271467328 0.01820212097
|
|
1044 64 1604.70183 -304.3148793 -304.3134536 2.227781325e-05 0.349748329 0.3510297438 0.01381198004
|
|
1045 64 1604.70183 -304.3249749 -304.3167565 0.0001284128707 0.3248746603 0.3867991703 0.01424440986
|
|
1046 64 1604.70183 -304.3332303 -304.3243676 0.000138479231 0.2735707693 0.2703584674 0.01093853841
|
|
1047 64 1604.70183 -304.3388808 -304.3264944 0.0001935382588 0.2936059376 0.3661117953 0.01282997112
|
|
1048 64 1604.70183 -304.2681269 -304.2154142 0.0008236353092 1.378216112 1.908531017 0.03422357095
|
|
1049 64 1604.70183 -304.3654864 -304.3466019 0.0002950696748 0.1442801216 0.1267964189 0.005019779797
|
|
1050 64 1604.70183 -304.3656299 -304.346789 0.0002943889188 0.1445033192 0.1407880367 0.005535082886
|
|
1051 64 1604.70183 -304.3668851 -304.3482432 0.0002912790591 0.1137677724 0.08364019503 0.004695501236
|
|
1052 64 1604.70183 -304.3672516 -304.3484492 0.0002937867004 0.111187152 0.1088728733 0.005385410613
|
|
1053 64 1604.70183 -304.3680762 -304.3493906 0.0002919615896 0.09562023309 0.07352911164 0.005127241536
|
|
1054 64 1604.70183 -304.3683042 -304.3495352 0.0002932655044 0.09813331706 0.094011125 0.005706246098
|
|
1055 64 1604.70183 -304.3686541 -304.3501963 0.000288401863 0.08826016269 0.03544713083 0.004533864925
|
|
1056 64 1604.70183 -304.3686523 -304.3502027 0.0002882741811 0.08903753933 0.03877790682 0.004536567702
|
|
1057 64 1604.70183 -304.368639 -304.3502773 0.0002869021208 0.08840039281 0.02709318802 0.004230669483
|
|
1058 64 1604.70183 -304.3686513 -304.350282 0.000287020601 0.08779450549 0.02146921678 0.004209599705
|
|
1059 64 1604.70183 -304.3426761 -304.3175555 0.0003925088275 0.424237462 0.5662425474 0.01192431964
|
|
1060 64 1604.70183 -304.3483513 -304.3233002 0.0003914234994 0.3323698449 0.4481290039 0.01252754765
|
|
1061 64 1604.70183 -304.3539029 -304.3306785 0.0003628817274 0.2345071087 0.2795396786 0.009256708383
|
|
1062 64 1604.70183 -304.3570486 -304.3336518 0.0003655751579 0.2026289788 0.2667651444 0.009127825661
|
|
1063 64 1604.70183 -304.3594597 -304.3370519 0.0003501233406 0.1701403842 0.1924812547 0.007460418729
|
|
1064 64 1604.70183 -304.3614021 -304.3391477 0.0003477238977 0.175252321 0.2418722263 0.009095412896
|
|
1065 64 1604.70183 -304.3632109 -304.342178 0.0003286395191 0.1518067074 0.1716629176 0.006869159906
|
|
1066 64 1604.70183 -304.3640317 -304.3442946 0.0003083906845 0.1763654305 0.2018779887 0.006555799695
|
|
1067 64 1604.70183 -304.2822643 -304.2640743 0.0002842179288 1.041627347 1.396101735 0.02327952338
|
|
1068 64 1604.70183 -304.3588203 -304.3490246 0.0001530577353 0.14543516 0.09932478683 0.005363049361
|
|
1069 64 1604.70183 -304.3603689 -304.3488221 0.0001804179267 0.1468785952 0.1438079047 0.006550444189
|
|
1070 64 1604.70183 -304.3619196 -304.349352 0.0001963685709 0.128026665 0.09614615623 0.00553640731
|
|
1071 64 1604.70183 -304.3635298 -304.3493327 0.0002218299142 0.1174674217 0.0925277669 0.005063583774
|
|
1072 64 1604.70183 -304.3642936 -304.3496936 0.0002281253672 0.1117531776 0.06338859632 0.004656731768
|
|
1073 64 1604.70183 -304.3649468 -304.3497312 0.0002377442639 0.1180167311 0.08614316355 0.005100117882
|
|
1074 64 1604.70183 -304.3653557 -304.3500268 0.0002395142767 0.1071890177 0.06542982386 0.004815481849
|
|
1075 64 1604.70183 -304.3653284 -304.3500416 0.000238855671 0.106607007 0.05506129626 0.004674388806
|
|
1076 64 1604.70183 -304.3656873 -304.3502275 0.0002415581236 0.1028618114 0.04561884242 0.004556349514
|
|
1077 64 1604.70183 -304.3663282 -304.3502694 0.0002509197777 0.1036372163 0.08354333774 0.005328071511
|
|
1078 64 1604.70183 -304.3289746 -304.326355 4.093066095e-05 0.4865931699 0.578792049 0.0100915007
|
|
1079 64 1604.70183 -304.3664866 -304.3503325 0.0002524067641 0.1019448882 0.0724799242 0.005079438009
|
|
1080 64 1604.70183 -304.3668529 -304.3503793 0.0002573996578 0.1004247094 0.05049620186 0.004506361144
|
|
1081 64 1604.70183 -304.3669166 -304.3504279 0.0002576353492 0.09860623765 0.04120066338 0.004422788025
|
|
1082 64 1604.70183 -304.3670399 -304.3504582 0.0002590895453 0.0964635862 0.0366293139 0.004466686174
|
|
1083 64 1604.70183 -304.3671215 -304.3504801 0.0002600212304 0.09495580699 0.02817199712 0.004380199068
|
|
1084 64 1604.70183 -304.3672766 -304.350421 0.0002633689727 0.09551239303 0.04689948858 0.004611712158
|
|
1085 64 1604.70183 -304.3673223 -304.3504164 0.0002641536115 0.09524386892 0.04395007538 0.004512320842
|
|
1086 64 1604.70183 -304.3674378 -304.3503903 0.0002663671792 0.09499899341 0.03544340682 0.004303692487
|
|
1087 64 1604.70183 -304.3674628 -304.3504112 0.0002664301633 0.0944358208 0.02819657383 0.004213048746
|
|
1088 64 1604.70183 -304.3674979 -304.3504197 0.0002668465709 0.09553843363 0.03228016109 0.004270501986
|
|
1089 64 1604.70183 -304.3379622 -304.3352632 4.217142957e-05 0.3622744586 0.450703478 0.01065632921
|
|
1090 64 1604.70183 -304.3449297 -304.3426703 3.530217678e-05 0.2534348689 0.269858148 0.00741065059
|
|
1091 64 1604.70183 -304.348891 -304.3449414 6.17120765e-05 0.2130354135 0.2579784508 0.008537236182
|
|
1092 64 1604.70183 -304.3518514 -304.34731 7.095898326e-05 0.1754346926 0.1648922505 0.006741610567
|
|
1093 64 1604.70183 -304.3539864 -304.3474875 0.0001015456241 0.1684155748 0.1803554071 0.007554339091
|
|
1094 64 1604.70183 -304.3559018 -304.3485934 0.0001141943725 0.1504383989 0.1129201486 0.005979242245
|
|
1095 64 1604.70183 -304.3569888 -304.3483492 0.0001349938821 0.1598467657 0.1350301486 0.005735289886
|
|
1096 64 1604.70183 -304.1774394 -304.200768 0.0003645092308 1.479920048 1.819144301 0.03262790943
|
|
1097 64 1604.70183 -304.3343444 -304.3500865 0.0002459714997 0.2300994719 0.1781286592 0.007706058792
|
|
1098 64 1604.70183 -304.3397872 -304.3487458 0.0001399768671 0.2450627155 0.2557877428 0.00812699859
|
|
1099 64 1604.70183 -304.3456493 -304.3497132 6.349815491e-05 0.2025715612 0.1685316444 0.006692316469
|
|
1100 64 1604.70183 -304.3514732 -304.3482204 5.082434557e-05 0.1809095013 0.1810683098 0.007586108654
|
|
1101 64 1604.70183 -304.3550427 -304.3489849 9.465335483e-05 0.1559804282 0.1209871218 0.005420032904
|
|
1102 64 1604.70183 -304.3573846 -304.348199 0.0001435247695 0.1698840519 0.1869501129 0.00678711946
|
|
1103 64 1604.70183 -304.3599137 -304.3488678 0.0001725930059 0.1519644694 0.1442073789 0.005730502345
|
|
1104 64 1604.70183 -304.3629744 -304.34865 0.0002238194359 0.1484483158 0.1459071245 0.005606533139
|
|
1105 64 1604.70183 -304.3646409 -304.3497252 0.0002330585778 0.1197236178 0.08860906191 0.004806666928
|
|
1106 64 1604.70183 -304.3655857 -304.3498542 0.0002458046873 0.1164079776 0.1194539436 0.005195317556
|
|
1107 64 1604.70183 -304.2579039 -304.3035592 0.00071336408 0.6691804209 0.7503816521 0.01475769138
|
|
1108 64 1604.70183 -304.3666947 -304.3503282 0.0002557271716 0.09874272799 0.0588052323 0.004569381062
|
|
1109 64 1604.70183 -304.3668911 -304.3502574 0.0002599018332 0.0997521767 0.06564837125 0.0047147226
|
|
1110 64 1604.70183 -304.3672192 -304.3502904 0.000264513029 0.09604402057 0.04628024245 0.004558324111
|
|
1111 64 1604.70183 -304.3672979 -304.3502211 0.000266825521 0.09776308128 0.05833414675 0.004810030121
|
|
1112 64 1604.70183 -304.3675715 -304.3503077 0.0002697467221 0.09401834933 0.03940909731 0.00437467036
|
|
1113 64 1604.70183 -304.3677237 -304.3502268 0.0002733891097 0.0963703529 0.05597878554 0.004401908154
|
|
1114 64 1604.70183 -304.3679354 -304.3503044 0.0002754853062 0.09483963747 0.03320318545 0.004177560356
|
|
1115 64 1604.70183 -304.3679918 -304.3502741 0.0002768401302 0.09642719797 0.04045773374 0.004337747224
|
|
1116 64 1604.70183 -304.3681887 -304.3503404 0.0002788790659 0.09278557036 0.02473106492 0.004232577558
|
|
1117 64 1604.70183 -304.3682886 -304.3503155 0.0002808292651 0.09258938619 0.03600013931 0.00432328562
|
|
1118 64 1604.70183 -304.2702127 -304.3154027 0.0007060935251 0.5908061049 0.6793914655 0.0148771791
|
|
1119 64 1604.70183 -304.3684432 -304.3503299 0.000283020423 0.08821502204 0.02419966905 0.004220537708
|
|
1120 64 1604.70183 -304.3684472 -304.3503274 0.0002831216221 0.08814860772 0.02469985988 0.004227247156
|
|
1121 64 1604.70183 -304.2874281 -304.3327701 0.0007084691837 0.4418742715 0.4354527263 0.01063795698
|
|
1122 64 1604.70183 -304.2993682 -304.3397328 0.0006306963656 0.4025246557 0.4426639499 0.01175052319
|
|
1123 64 1604.70183 -304.3100242 -304.3467402 0.0005736865762 0.3169518244 0.2665571133 0.008863536475
|
|
1124 64 1604.70183 -304.3172497 -304.3468491 0.0004624909978 0.2912648409 0.284577944 0.01013896307
|
|
1125 64 1604.70183 -304.3236271 -304.3493543 0.0004019871097 0.247525583 0.1894246511 0.008848054915
|
|
1126 64 1604.70183 -304.3282286 -304.3482961 0.0003135546287 0.2514295826 0.2496174364 0.009614947106
|
|
1127 64 1604.70183 -304.3270164 -304.2953059 0.0004954771084 0.8446229422 1.159131838 0.01752142069
|
|
1128 64 1604.70183 -304.3592805 -304.3391168 0.0003150575227 0.373183626 0.4811979703 0.007815462266
|
|
1129 64 1604.70183 -304.3659914 -304.346488 0.0003047416259 0.2096796177 0.2926965945 0.008737072196
|
|
1130 64 1604.70183 -304.3682043 -304.3494364 0.0002932491187 0.1162592778 0.1251155094 0.005687783302
|
|
1131 64 1604.70183 -304.3687007 -304.3497882 0.0002955071234 0.09114048787 0.1004341895 0.005699820832
|
|
1132 64 1604.70183 -304.3688077 -304.3501299 0.0002918415135 0.0806825865 0.04727131497 0.004746571711
|
|
1133 64 1604.70183 -304.3687756 -304.3501685 0.0002907363727 0.08109160904 0.04241239203 0.004636630417
|
|
1134 64 1604.70183 -304.3687072 -304.3502635 0.0002881823877 0.08492983238 0.02432923322 0.004377254916
|
|
1135 64 1604.70183 -304.3685918 -304.3503013 0.0002857893862 0.09106049059 0.02105703398 0.004188229132
|
|
# s_aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1136 64 1604.70183 -309.5777032 -309.5645615 0.0002053393288 0.6834400777 1.174034422 0.03866147743
|
|
1137 64 1604.70183 -309.6334212 -309.6192877 0.0002208364055 0.4465649338 0.2107551128 0.01476889944
|
|
1138 64 1604.70183 -309.6507703 -309.6178884 0.0005137806116 0.6006782804 0.3533983686 0.01559935321
|
|
1139 64 1604.70183 -309.6941593 -309.6208873 0.00114487513 0.9276013844 0.8490534251 0.02071615257
|
|
1140 64 1604.70183 -309.7979238 -309.7123879 0.001336498381 1.424228187 1.843144508 0.03395945421
|
|
1141 64 1604.70183 -309.8330156 -309.7689498 0.001001028101 1.601150842 2.44211318 0.06464214008
|
|
1142 64 1604.70183 -309.8617196 -309.8072173 0.0008515984501 1.557467193 2.164385201 0.04448453065
|
|
1143 64 1604.70183 -309.8715378 -309.8197081 0.0008098385545 1.552132319 2.255019865 0.05441619809
|
|
1144 64 1604.70183 -309.8733819 -309.8236384 0.0007772409751 1.557819581 2.203594228 0.04944271476
|
|
1145 64 1604.70183 -309.8735578 -309.8238835 0.0007761603859 1.557313872 2.20362982 0.04950999261
|
|
1146 64 1604.70183 -309.8740539 -309.8245826 0.0007729890516 1.555903591 2.203531171 0.0497024944
|
|
1147 64 1604.70183 -309.6010453 -309.6085506 0.0001172696693 0.3863922592 0.5078419856 0.02171016302
|
|
1148 64 1604.70183 -309.8750118 -309.8258097 0.0007687836044 1.55271619 2.20380512 0.05011784282
|
|
1149 64 1604.70183 -309.8764077 -309.8275635 0.0007631913741 1.54633483 2.20431713 0.05091057754
|
|
1150 64 1604.70183 -309.8772896 -309.828368 0.0007644007942 1.533790028 2.20988047 0.05251740869
|
|
1151 64 1604.70183 -309.8770558 -309.8282987 0.0007618292895 1.541431938 2.205565897 0.05151548331
|
|
1152 64 1604.70183 -309.8777093 -309.8292816 0.0007566818361 1.538650243 2.200711234 0.05137007245
|
|
1153 64 1604.70183 -309.8796458 -309.8322164 0.0007410847213 1.530376912 2.185999735 0.05095057731
|
|
1154 64 1604.70183 -309.8835214 -309.8380237 0.0007109007105 1.513604984 2.156043025 0.05008854142
|
|
1155 64 1604.70183 -309.8911126 -309.8493878 0.0006519495995 1.48025854 2.094604659 0.04827445456
|
|
1156 64 1604.70183 -309.9057231 -309.8711276 0.0005405546291 1.413924708 1.974304378 0.04475694665
|
|
1157 64 1604.70183 -309.9326905 -309.9105879 0.0003453522359 1.282795104 1.739494388 0.03909586707
|
|
1158 64 1604.70183 -309.6050774 -309.6153095 0.0001598762135 0.3257813505 0.3247832504 0.01611071313
|
|
1159 64 1604.70183 -309.977415 -309.9735887 5.978652174e-05 1.031265328 1.308701431 0.03032882773
|
|
1160 64 1604.70183 -310.028986 -310.0361345 0.0001116954503 0.6689610598 0.8981766384 0.02505568215
|
|
1161 64 1604.70183 -310.0336342 -310.0386054 7.76754823e-05 0.6480090117 0.9679520871 0.02880439287
|
|
1162 64 1604.70183 -310.0434758 -310.0539583 0.0001637895501 0.5970450161 0.8749575048 0.02620802947
|
|
1163 64 1604.70183 -310.0668792 -310.0904039 0.0003675727105 0.4788929156 0.6430068668 0.01877273694
|
|
1164 64 1604.70183 -310.0862421 -310.1198924 0.000525786248 0.5088550562 0.6616123356 0.01917611005
|
|
1165 64 1604.70183 -310.0990403 -310.1379828 0.0006084773785 0.4233840646 0.4935629591 0.01240320014
|
|
1166 64 1604.70183 -310.1153545 -310.1566017 0.0006444876654 0.3651903406 0.5032513707 0.01669224071
|
|
1167 64 1604.70183 -310.125052 -310.1695802 0.0006957531357 0.270971836 0.2617804208 0.009417090232
|
|
1168 64 1604.70183 -310.127846 -310.1723392 0.0006952070749 0.2790430641 0.2705581096 0.009847922476
|
|
1169 64 1604.70183 -309.6080242 -309.6183459 0.0001612767713 0.3020183009 0.2305600362 0.01374122583
|
|
1170 64 1604.70183 -310.1323747 -310.1769834 0.0006970121506 0.2064065388 0.170313541 0.007023683745
|
|
1171 64 1604.70183 -310.1349208 -310.1787788 0.0006852811055 0.1762532226 0.1972305034 0.007077135986
|
|
1172 64 1604.70183 -310.1375838 -310.1815303 0.0006866645857 0.1370176219 0.1251851177 0.005726564461
|
|
1173 64 1604.70183 -310.1384256 -310.1820678 0.0006819102895 0.1467385177 0.1585959534 0.006435514711
|
|
1174 64 1604.70183 -310.1403525 -310.1841624 0.0006845305595 0.1242756623 0.09967902361 0.005540244129
|
|
1175 64 1604.70183 -310.1410783 -310.1846642 0.0006810298392 0.1299523323 0.1273746281 0.006159664364
|
|
1176 64 1604.70183 -310.1422831 -310.1859281 0.0006819533708 0.0937006069 0.07082877443 0.004984637247
|
|
1177 64 1604.70183 -310.1423451 -310.1859591 0.000681468407 0.09510381105 0.08070849483 0.004954353439
|
|
1178 64 1604.70183 -310.1426755 -310.1863376 0.0006822197817 0.08681883465 0.04493171576 0.004778629152
|
|
1179 64 1604.70183 -310.1426646 -310.1863486 0.0006825631555 0.08549591387 0.03516103194 0.004652638368
|
|
1180 64 1604.70183 -309.6114216 -309.6188774 0.0001164969204 0.3058863063 0.2627178404 0.01430271499
|
|
1181 64 1604.70183 -310.1428018 -310.1864675 0.0006822769334 0.08372095498 0.025736163 0.00453725522
|
|
1182 64 1604.70183 -310.1428787 -310.1865067 0.0006816868825 0.08527991019 0.0378189683 0.00460568588
|
|
1183 64 1604.70183 -310.1429797 -310.1865935 0.0006814657391 0.08149725078 0.02376550031 0.00434850789
|
|
1184 64 1604.70183 -310.1430553 -310.1866387 0.0006809916862 0.07971445183 0.02528965919 0.004233622778
|
|
1185 64 1604.70183 -310.1431433 -310.1866817 0.0006802885 0.07595019666 0.01685182506 0.004121080076
|
|
1186 64 1604.70183 -310.143205 -310.1866935 0.0006795072734 0.07356966195 0.02352505679 0.004139823576
|
|
1187 64 1604.70183 -309.6154868 -309.6208955 8.451102974e-05 0.2820198466 0.1627840742 0.01259008341
|
|
1188 64 1604.70183 -309.6191892 -309.6203363 1.792263192e-05 0.3049142953 0.1825192619 0.01324054635
|
|
1189 64 1604.70183 -309.6230869 -309.620892 3.429641949e-05 0.3343303114 0.1336064543 0.01317819505
|
|
1190 64 1604.70183 -309.6283683 -309.6193699 0.0001406002336 0.4019379697 0.2090184596 0.01490104806
|
|
1191 64 1604.70183 -310.0321099 -310.0309165 1.86473987e-05 0.7147561602 0.8565470368 0.02653575411
|
|
1192 64 1604.70183 -310.060662 -310.0664563 9.053637473e-05 0.4021589068 0.03680205134 0.02290849755
|
|
1193 64 1604.70183 -310.060503 -310.0665204 9.402241297e-05 0.3987799687 0.0486802411 0.02319799475
|
|
1194 64 1604.70183 -310.0595401 -310.0666919 0.0001117464124 0.4053557503 0.02927834268 0.02279233897
|
|
1195 64 1604.70183 -310.0590383 -310.066714 0.0001199335427 0.4089584915 0.03451481121 0.02264751474
|
|
1196 64 1604.70183 -310.0586363 -310.066808 0.0001276826253 0.4087705211 0.01985463832 0.0227986575
|
|
1197 64 1604.70183 -310.0584513 -310.0668162 0.00013070307 0.4090048519 0.02495493993 0.02288347487
|
|
1198 64 1604.70183 -310.0580685 -310.066846 0.0001371492791 0.4091847557 0.01344916451 0.02303104093
|
|
1199 64 1604.70183 -310.0580512 -310.0668458 0.0001374155426 0.409177168 0.01412536219 0.02304306721
|
|
1200 64 1604.70183 -310.0512251 -310.0551585 6.145997979e-05 0.5019992332 0.357326643 0.02317618988
|
|
1201 64 1604.70183 -310.0570328 -310.0589913 3.060177673e-05 0.4258692293 0.2588645421 0.02415501562
|
|
1202 64 1604.70183 -310.0589727 -310.0618428 4.484501334e-05 0.4091284099 0.1650632833 0.02315058278
|
|
1203 64 1604.70183 -310.0600931 -310.0632792 4.978325022e-05 0.4083304153 0.1621634578 0.02223467215
|
|
1204 64 1604.70183 -310.060956 -310.0647059 5.859289624e-05 0.4004597679 0.1048719784 0.02212463267
|
|
1205 64 1604.70183 -310.0612334 -310.0654337 6.562971778e-05 0.4022416306 0.11110601 0.02311160486
|
|
1206 64 1604.70183 -310.0609827 -310.0661409 8.059643951e-05 0.4044796404 0.0545589596 0.0227234083
|
|
1207 64 1604.70183 -310.060765 -310.066204 8.498441741e-05 0.4072248654 0.05988659423 0.02260929338
|
|
# s_aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1208 64 1604.70183 -306.8694252 -306.8765446 0.0001112410853 1.273677454 1.550741673 0.02661390837
|
|
1209 64 1604.70183 -306.9508516 -306.9635484 0.0001983869449 0.3618107772 0.08313926166 0.01943347518
|
|
1210 64 1604.70183 -306.9506918 -306.9641139 0.0002097204029 0.3582906755 0.04751845787 0.01877015744
|
|
1211 64 1604.70183 -306.9504625 -306.9642579 0.000215552235 0.3585307098 0.05885677407 0.01834079869
|
|
1212 64 1604.70183 -306.9502392 -306.9645616 0.000223788051 0.3587334733 0.03569772073 0.01804913211
|
|
1213 64 1604.70183 -306.9500406 -306.9646359 0.0002280516175 0.3600740981 0.04336334878 0.01805264112
|
|
1214 64 1604.70183 -306.9500291 -306.9647287 0.0002296815694 0.3608257155 0.02612272166 0.01824367202
|
|
1215 64 1604.70183 -306.9500044 -306.9647237 0.0002299896058 0.3613517522 0.03123046945 0.01827836317
|
|
1216 64 1604.70183 -306.9502832 -306.9647937 0.0002267265254 0.3588299785 0.01837334842 0.01837289166
|
|
1217 64 1604.70183 -306.950381 -306.9647952 0.000225221797 0.3581175156 0.02338071211 0.01842580699
|
|
1218 64 1604.70183 -306.9308239 -306.9489638 0.0002834350512 0.5700281496 0.4964505719 0.01439035785
|
|
1219 64 1604.70183 -306.9395181 -306.95465 0.0002364369684 0.4525532716 0.3360787319 0.01609072692
|
|
1220 64 1604.70183 -306.9443862 -306.9587198 0.0002239617801 0.3939011215 0.1913594238 0.01649350176
|
|
1221 64 1604.70183 -306.9476109 -306.9598374 0.0001910397342 0.362286192 0.1824304626 0.01957582433
|
|
1222 64 1604.70183 -306.9491859 -306.9613685 0.0001903537534 0.351275733 0.1314812763 0.01935562436
|
|
1223 64 1604.70183 -306.951477 -306.9618848 0.000162621844 0.3435550344 0.191630116 0.02146345228
|
|
1224 64 1604.70183 -306.9510771 -306.9622122 0.0001739849471 0.3427719377 0.1490140669 0.02004924022
|
|
1225 64 1604.70183 -306.9511513 -306.9634019 0.0001914166877 0.3512996548 0.07684625941 0.01945414086
|
|
# s_iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1226 65 1604.70183 -308.1308656 -307.9990581 0.002027808169 3.312358129 3.441754242 0.03974328903
|
|
1227 65 1604.70183 -308.4935077 -308.4144059 0.001216950455 0.2204746211 0.08997623964 0.01140787215
|
|
1228 65 1604.70183 -308.493964 -308.4146382 0.00122039707 0.2242597828 0.1092471882 0.0117793535
|
|
1229 65 1604.70183 -308.4946624 -308.4154013 0.001219402251 0.2216749387 0.06911367211 0.0112958167
|
|
1230 65 1604.70183 -308.4949721 -308.415618 0.00122083348 0.2263222867 0.08345509896 0.01117642419
|
|
1231 65 1604.70183 -308.4956655 -308.4161263 0.001223680138 0.2216498002 0.05432206118 0.01121938548
|
|
1232 65 1604.70183 -308.4959321 -308.4162335 0.001226132502 0.2225245932 0.06705929869 0.01146979478
|
|
1233 65 1604.70183 -308.4964861 -308.4165185 0.001230271527 0.2191140119 0.04128920457 0.01133223525
|
|
1234 65 1604.70183 -308.4965166 -308.41652 0.001230717188 0.2193697587 0.04492898089 0.0113556754
|
|
1235 65 1604.70183 -308.4969748 -308.4167061 0.001234902225 0.2186184326 0.03427145373 0.01127119188
|
|
1236 65 1604.70183 -308.497109 -308.4167327 0.001236558333 0.2193059385 0.04208936552 0.01127431555
|
|
1237 65 1604.70183 -308.4112135 -308.3156704 0.00146989468 0.8674572204 1.095651338 0.02566664461
|
|
1238 65 1604.70183 -308.4976901 -308.4169299 0.001242464643 0.2175999269 0.03151013935 0.01107750138
|
|
1239 65 1604.70183 -308.4978286 -308.416954 0.001244224368 0.2176249533 0.03865944535 0.01106188349
|
|
1240 65 1604.70183 -308.4985279 -308.4170952 0.001252810329 0.2144352857 0.0222460715 0.01104828823
|
|
1241 65 1604.70183 -308.4987972 -308.4171212 0.001256553643 0.2138024803 0.02719889895 0.01110933892
|
|
1242 65 1604.70183 -308.4992879 -308.4171286 0.001263989709 0.2090579699 0.0194709944 0.01102870742
|
|
1243 65 1604.70183 -308.4992127 -308.4171356 0.001262725255 0.209591013 0.01523572781 0.01100922781
|
|
1244 65 1604.70183 -308.4187415 -308.3230075 0.001472830751 0.8520356136 1.126599892 0.02668015716
|
|
1245 65 1604.70183 -308.4532514 -308.3701717 0.001278148597 0.5532575459 0.648593671 0.01694048704
|
|
1246 65 1604.70183 -308.4665046 -308.3853208 0.001248981955 0.5226857641 0.6385477863 0.01537473856
|
|
1247 65 1604.70183 -308.4811748 -308.4029863 0.001202899287 0.3495981949 0.3442512187 0.01168365309
|
|
1248 65 1604.70183 -308.4863462 -308.4075278 0.001212590428 0.337452666 0.3449502837 0.01285148809
|
|
1249 65 1604.70183 -308.4914541 -308.4127166 0.001211345595 0.2380927141 0.1481680844 0.01142475456
|
|
1250 65 1604.70183 -308.4922914 -308.4130973 0.001218370614 0.2321845286 0.1597902756 0.011667497
|
|
1251 65 1604.70183 -308.6418412 -308.6167958 0.0003853138938 2.581750098 2.852768231 0.04013552544
|
|
1252 65 1604.70183 -308.8919996 -308.9170738 0.0003857580272 0.3642872701 0.1352086416 0.01983897055
|
|
1253 65 1604.70183 -308.8916346 -308.9177141 0.0004012220841 0.3754133051 0.1628826239 0.02023037015
|
|
1254 65 1604.70183 -308.8914948 -308.9193611 0.0004287122037 0.3542761004 0.08820903018 0.01950663883
|
|
1255 65 1604.70183 -308.8909061 -308.9195378 0.0004404877336 0.3596571649 0.107968378 0.01950310014
|
|
1256 65 1604.70183 -308.8900807 -308.920185 0.0004631424682 0.3606808621 0.06171824913 0.01884812946
|
|
1257 65 1604.70183 -308.8899661 -308.9201947 0.0004650556212 0.3613295321 0.06652360994 0.01884950679
|
|
1258 65 1604.70183 -308.8896592 -308.9204921 0.0004743516253 0.3607807693 0.03993431489 0.01866303703
|
|
1259 65 1604.70183 -308.8894952 -308.920519 0.000477288366 0.3617405885 0.04802080375 0.0186907966
|
|
1260 65 1604.70183 -308.8893036 -308.9206738 0.0004826180517 0.3579000371 0.03157448802 0.01875857584
|
|
1261 65 1604.70183 -308.8892444 -308.9206785 0.0004836022626 0.3577070621 0.03684938922 0.01880526673
|
|
1262 65 1604.70183 -308.8384488 -308.8525904 0.0002175637884 0.8208289276 0.8898080397 0.02462628454
|
|
1263 65 1604.70183 -308.8889471 -308.9207652 0.0004895084356 0.3576700786 0.0258968568 0.01864667858
|
|
1264 65 1604.70183 -308.8888265 -308.920767 0.0004913931993 0.3579593996 0.03383547696 0.0186061564
|
|
1265 65 1604.70183 -308.888483 -308.920822 0.0004975232722 0.3597031519 0.0173254023 0.01857218214
|
|
1266 65 1604.70183 -308.8884445 -308.9208223 0.0004981200004 0.3600013092 0.0181348984 0.01857657975
|
|
1267 65 1604.70183 -308.8502657 -308.8649401 0.0002257592317 0.7440502763 0.8198898761 0.02452795154
|
|
1268 65 1604.70183 -308.8712194 -308.8899041 0.0002874577168 0.5404206322 0.4426657752 0.02156610049
|
|
1269 65 1604.70183 -308.88007 -308.8965266 0.0002531785105 0.4751324312 0.4287734665 0.02344123901
|
|
1270 65 1604.70183 -308.8859088 -308.9050188 0.0002939998762 0.4105580786 0.2665119179 0.02196528973
|
|
1271 65 1604.70183 -308.8878657 -308.9083473 0.0003151012009 0.4489010697 0.3056093386 0.02181889349
|
|
1272 65 1604.70183 -308.8908215 -308.9130965 0.0003426931828 0.3835503671 0.1844420899 0.02024105552
|
|
1273 65 1604.70183 -308.8913466 -308.9140188 0.0003488028437 0.3714742918 0.2282513436 0.02016757426
|
|
1274 65 1604.70183 -309.4100325 -309.3691182 0.0006294521191 1.594805808 2.020276788 0.0413871142
|
|
1275 65 1604.70183 -309.5176246 -309.5146967 4.504451094e-05 0.3583991442 0.06118717011 0.01847011255
|
|
1276 65 1604.70183 -309.5178212 -309.5148047 4.640708009e-05 0.3618685157 0.07058777014 0.01860793031
|
|
1277 65 1604.70183 -309.5186971 -309.5151345 5.480838201e-05 0.3455821078 0.04201719477 0.01840661412
|
|
1278 65 1604.70183 -309.5191682 -309.5152025 6.100976161e-05 0.3389297372 0.0580625214 0.01844818788
|
|
1279 65 1604.70183 -309.5197697 -309.5154343 6.669906204e-05 0.3343301046 0.03531064522 0.01814208046
|
|
1280 65 1604.70183 -309.5200197 -309.5154715 6.997241555e-05 0.3332897678 0.04223218265 0.01797349509
|
|
1281 65 1604.70183 -309.5201919 -309.5156045 7.05759528e-05 0.3359211242 0.02606522271 0.01774668842
|
|
1282 65 1604.70183 -309.5202272 -309.5156119 7.100431273e-05 0.3374566553 0.03465477955 0.01771615137
|
|
1283 65 1604.70183 -309.5205576 -309.5156876 7.492275636e-05 0.3412386891 0.02432195266 0.01788631689
|
|
1284 65 1604.70183 -309.5205491 -309.5156871 7.479970682e-05 0.3410531198 0.02398627549 0.01786736625
|
|
1285 65 1604.70183 -309.4925408 -309.4863816 9.475695282e-05 0.5945664161 0.6088466764 0.02083871171
|
|
1286 65 1604.70183 -309.4973357 -309.4925326 7.389518297e-05 0.5658787133 0.5367648908 0.02032573503
|
|
1287 65 1604.70183 -309.5069 -309.503522 5.196910251e-05 0.4441259499 0.3010106009 0.01906076966
|
|
1288 65 1604.70183 -309.5114036 -309.5069551 6.843913388e-05 0.3995386666 0.2862146586 0.02032920492
|
|
1289 65 1604.70183 -309.5147317 -309.5108334 5.997422416e-05 0.3537699265 0.1736893616 0.01911768237
|
|
1290 65 1604.70183 -309.5164994 -309.5124736 6.193628131e-05 0.3505430747 0.1747690184 0.01979343044
|
|
1291 65 1604.70183 -309.5170385 -309.513947 4.756199699e-05 0.351136184 0.09145900731 0.01872735191
|
|
1292 65 1604.70183 -309.5169578 -309.5140637 4.452380965e-05 0.3582184917 0.1055625178 0.01853919209
|
|
1293 65 1604.70183 -309.0601129 -308.9876108 0.001115417968 3.165768953 3.369528918 0.05173340488
|
|
1294 65 1604.70183 -309.3451205 -309.3185853 0.0004082342582 0.4723921299 0.1300677154 0.02498709328
|
|
1295 65 1604.70183 -309.345854 -309.318886 0.0004148920897 0.470005331 0.1593159524 0.02524409125
|
|
1296 65 1604.70183 -309.3467764 -309.3207419 0.0004005310106 0.468930475 0.1009829002 0.02510440437
|
|
1297 65 1604.70183 -309.3468521 -309.321086 0.0003964017968 0.4743709578 0.1287832777 0.02534758357
|
|
1298 65 1604.70183 -309.3469912 -309.3223733 0.0003787367655 0.4712810238 0.07485259621 0.02528209628
|
|
1299 65 1604.70183 -309.3468433 -309.322468 0.0003750046922 0.4736415282 0.08949052748 0.0252677499
|
|
1300 65 1604.70183 -309.3463816 -309.3230186 0.0003594310378 0.480302664 0.05851577257 0.02518413082
|
|
1301 65 1604.70183 -309.3461753 -309.3230433 0.0003558772356 0.4833299782 0.06872746543 0.02519709068
|
|
1302 65 1604.70183 -309.3459244 -309.3233695 0.0003469981656 0.4839339196 0.03873356362 0.02502809669
|
|
1303 65 1604.70183 -309.3458773 -309.3233729 0.0003462220456 0.4842221831 0.04249452865 0.0250389461
|
|
1304 65 1604.70183 -309.2955144 -309.2696756 0.0003975191306 0.7262239181 0.6965971345 0.02939402074
|
|
1305 65 1604.70183 -309.3460797 -309.3234569 0.0003480430428 0.4856660778 0.02794548003 0.02519116054
|
|
1306 65 1604.70183 -309.346083 -309.3234554 0.0003481168469 0.4856909716 0.02854991492 0.02518874459
|
|
1307 65 1604.70183 -309.3465674 -309.3235117 0.0003547038957 0.4816064208 0.01648901944 0.02526745281
|
|
1308 65 1604.70183 -309.3466012 -309.3235109 0.0003552359657 0.481371967 0.01772431779 0.02527762062
|
|
1309 65 1604.70183 -309.2980467 -309.2717447 0.0004046465666 0.7123303666 0.6965989888 0.02968397915
|
|
1310 65 1604.70183 -309.3122307 -309.2899774 0.0003423576437 0.5991961605 0.4077923177 0.02635131568
|
|
1311 65 1604.70183 -309.3198656 -309.2966514 0.0003571420308 0.5683034766 0.392635015 0.02832745092
|
|
1312 65 1604.70183 -309.3268088 -309.304246 0.0003471205478 0.5310782671 0.2714570542 0.02671814889
|
|
1313 65 1604.70183 -309.3338875 -309.3094173 0.0003764648719 0.5238592817 0.3024801867 0.0265612085
|
|
1314 65 1604.70183 -309.3396725 -309.314558 0.0003863770509 0.4907911593 0.1807447293 0.02554464636
|
|
1315 65 1604.70183 -309.3419368 -309.3156286 0.0004047425221 0.4978849227 0.219559556 0.02536090928
|
|
1316 65 1604.70183 -309.0601129 -308.9876108 0.001115417968 3.165768953 3.369528918 0.05173340488
|
|
1317 65 1604.70183 -309.3451205 -309.3185853 0.0004082342582 0.4723921299 0.1300677154 0.02498709328
|
|
1318 65 1604.70183 -309.345854 -309.318886 0.0004148920897 0.470005331 0.1593159524 0.02524409125
|
|
1319 65 1604.70183 -309.3467764 -309.3207419 0.0004005310106 0.468930475 0.1009829002 0.02510440437
|
|
1320 65 1604.70183 -309.3468521 -309.321086 0.0003964017968 0.4743709578 0.1287832777 0.02534758357
|
|
1321 65 1604.70183 -309.3469912 -309.3223733 0.0003787367655 0.4712810238 0.07485259621 0.02528209628
|
|
1322 65 1604.70183 -309.3468433 -309.322468 0.0003750046922 0.4736415282 0.08949052748 0.0252677499
|
|
1323 65 1604.70183 -309.3463816 -309.3230186 0.0003594310378 0.480302664 0.05851577257 0.02518413082
|
|
1324 65 1604.70183 -309.3461753 -309.3230433 0.0003558772356 0.4833299782 0.06872746543 0.02519709068
|
|
1325 65 1604.70183 -309.3459244 -309.3233695 0.0003469981656 0.4839339196 0.03873356362 0.02502809669
|
|
1326 65 1604.70183 -309.3458773 -309.3233729 0.0003462220456 0.4842221831 0.04249452865 0.0250389461
|
|
1327 65 1604.70183 -309.2955144 -309.2696756 0.0003975191306 0.7262239181 0.6965971345 0.02939402074
|
|
1328 65 1604.70183 -309.3460797 -309.3234569 0.0003480430428 0.4856660778 0.02794548003 0.02519116054
|
|
1329 65 1604.70183 -309.346083 -309.3234554 0.0003481168469 0.4856909716 0.02854991492 0.02518874459
|
|
1330 65 1604.70183 -309.3465674 -309.3235117 0.0003547038957 0.4816064208 0.01648901944 0.02526745281
|
|
1331 65 1604.70183 -309.3466012 -309.3235109 0.0003552359657 0.481371967 0.01772431779 0.02527762062
|
|
1332 65 1604.70183 -309.2980467 -309.2717447 0.0004046465666 0.7123303666 0.6965989888 0.02968397915
|
|
1333 65 1604.70183 -309.3122307 -309.2899774 0.0003423576437 0.5991961605 0.4077923177 0.02635131568
|
|
1334 65 1604.70183 -309.3198656 -309.2966514 0.0003571420308 0.5683034766 0.392635015 0.02832745092
|
|
1335 65 1604.70183 -309.3268088 -309.304246 0.0003471205478 0.5310782671 0.2714570542 0.02671814889
|
|
1336 65 1604.70183 -309.3338875 -309.3094173 0.0003764648719 0.5238592817 0.3024801867 0.0265612085
|
|
1337 65 1604.70183 -309.3396725 -309.314558 0.0003863770509 0.4907911593 0.1807447293 0.02554464636
|
|
1338 65 1604.70183 -309.3419368 -309.3156286 0.0004047425221 0.4978849227 0.219559556 0.02536090928
|
|
1339 65 1604.70183 -308.9588898 -308.9630782 6.443668663e-05 2.692930115 2.800626938 0.0392814272
|
|
1340 65 1604.70183 -309.1751203 -309.2065215 0.000483095673 0.3894325018 0.138418872 0.02066259421
|
|
1341 65 1604.70183 -309.1771988 -309.2079046 0.0004723961674 0.368344751 0.1695431883 0.02114212547
|
|
1342 65 1604.70183 -309.1787119 -309.209983 0.0004810939916 0.3714621888 0.1308716977 0.02051059862
|
|
1343 65 1604.70183 -309.1788007 -309.2100901 0.0004813753605 0.3768315982 0.1474462682 0.02047667162
|
|
1344 65 1604.70183 -309.1801625 -309.2120228 0.0004901599576 0.3615354074 0.1313400831 0.01946498831
|
|
1345 65 1604.70183 -309.1802349 -309.2121515 0.0004910260497 0.3652916249 0.1467476357 0.01934538618
|
|
1346 65 1604.70183 -309.1817592 -309.2140983 0.000497524333 0.3498274714 0.09611299438 0.01914069878
|
|
1347 65 1604.70183 -309.18251 -309.2149834 0.0004995916545 0.3469826096 0.1160960545 0.01912621623
|
|
1348 65 1604.70183 -309.1835237 -309.2164585 0.0005066879454 0.3491971155 0.07866559763 0.01893239027
|
|
1349 65 1604.70183 -309.1841119 -309.2175399 0.0005142763948 0.3765818741 0.1578762878 0.01915386292
|
|
1350 65 1604.70183 -309.1412431 -309.1662917 0.0003853624269 0.7111288806 0.7475202955 0.02328863607
|
|
1351 65 1604.70183 -309.1854811 -309.2177195 0.0004959753993 0.3514904944 0.1872886534 0.01993368389
|
|
1352 65 1604.70183 -309.185306 -309.218303 0.0005076474881 0.3438815682 0.07405831134 0.01924968343
|
|
1353 65 1604.70183 -309.1855428 -309.2185313 0.0005075152697 0.3514129629 0.0851505638 0.01918854907
|
|
1354 65 1604.70183 -309.1855407 -309.2185433 0.0005077323353 0.3474313754 0.06798810227 0.01918589044
|
|
1355 65 1604.70183 -309.185807 -309.2188022 0.0005076192833 0.3453786575 0.04126023346 0.0192393521
|
|
1356 65 1604.70183 -309.1858943 -309.218868 0.0005072879192 0.3461368862 0.04668529029 0.01931387178
|
|
1357 65 1604.70183 -309.1860776 -309.2190464 0.0005072129846 0.3420456384 0.02864289769 0.0195055261
|
|
1358 65 1604.70183 -309.1861773 -309.2191158 0.0005067474388 0.339671502 0.04103123196 0.01968947854
|
|
1359 65 1604.70183 -309.1860398 -309.2193034 0.0005117474198 0.3439496504 0.03118479854 0.019533356
|
|
1360 65 1604.70183 -309.1857615 -309.2194759 0.0005186820112 0.35116792 0.04280295274 0.01931513705
|
|
1361 65 1604.70183 -309.1452729 -309.1692546 0.0003689488524 0.7076915172 0.7633188526 0.02381514871
|
|
1362 65 1604.70183 -309.1857493 -309.2196605 0.0005217114194 0.3502797239 0.02997866313 0.019352141
|
|
1363 65 1604.70183 -309.1857045 -309.2197312 0.0005234885239 0.3508911117 0.03975648274 0.01939151562
|
|
1364 65 1604.70183 -309.1597875 -309.187105 0.0004202694615 0.48201602 0.3835624808 0.02297946885
|
|
1365 65 1604.70183 -309.1610921 -309.1882585 0.0004179446454 0.5156414543 0.4423665736 0.02383951605
|
|
1366 65 1604.70183 -309.1661062 -309.1955048 0.0004522863042 0.4309320505 0.2406913048 0.02219597775
|
|
1367 65 1604.70183 -309.166661 -309.1967467 0.0004628578954 0.4626176074 0.2826530301 0.02185965529
|
|
1368 65 1604.70183 -309.1697606 -309.2007993 0.0004775186929 0.4286266943 0.1910941657 0.02109445577
|
|
1369 65 1604.70183 -309.1719828 -309.2034724 0.0004844556865 0.4291394113 0.2151638473 0.02088102192
|
|
# s_iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1370 65 1604.70183 -312.1527145 -312.1064156 0.0007122905048 1.12697652 1.657687119 0.03318938831
|
|
1371 65 1604.70183 -312.2253671 -312.2174988 0.0001210508461 0.2199291056 0.0826119634 0.01227283984
|
|
1372 65 1604.70183 -312.2254036 -312.2176788 0.0001188429854 0.2207165871 0.09577527079 0.01248465028
|
|
1373 65 1604.70183 -312.2255993 -312.2184497 0.0001099938156 0.2168234153 0.06132694502 0.01214849066
|
|
1374 65 1604.70183 -312.2253421 -312.2187629 0.0001012181594 0.2268789726 0.1096795721 0.01214682332
|
|
1375 65 1604.70183 -312.2256099 -312.2191496 9.938905672e-05 0.2164864525 0.08667491656 0.01222464996
|
|
1376 65 1604.70183 -312.2256433 -312.2192308 9.865508939e-05 0.214692969 0.04768612191 0.0119895228
|
|
1377 65 1604.70183 -312.2256772 -312.219395 9.664883325e-05 0.2158175381 0.03276624032 0.01180098105
|
|
1378 65 1604.70183 -312.2256088 -312.2194334 9.500653536e-05 0.2204981055 0.04507641972 0.01171169306
|
|
1379 65 1604.70183 -312.22572 -312.2196116 9.397472342e-05 0.2150715204 0.03047486901 0.01180887675
|
|
1380 65 1604.70183 -312.2257602 -312.2197113 9.306032905e-05 0.2116062515 0.03907189658 0.01201741699
|
|
1381 65 1604.70183 -312.2048638 -312.1896011 0.0002348110136 0.4337029245 0.5552583025 0.01621327008
|
|
1382 65 1604.70183 -312.2256327 -312.2198852 8.842348826e-05 0.2166435402 0.02976997141 0.01187493055
|
|
1383 65 1604.70183 -312.22551 -312.2199516 8.551258955e-05 0.2224625732 0.03952582496 0.01183516305
|
|
1384 65 1604.70183 -312.2254506 -312.2201631 8.134584274e-05 0.2212357785 0.02648351986 0.01178846906
|
|
1385 65 1604.70183 -312.2253728 -312.2202301 7.911857823e-05 0.2258868884 0.03554112535 0.01189368706
|
|
1386 65 1604.70183 -312.225401 -312.220395 7.70158008e-05 0.2233584783 0.02638162014 0.01222838189
|
|
1387 65 1604.70183 -312.2253875 -312.2204531 7.591525459e-05 0.2246685324 0.03851421937 0.01250262074
|
|
1388 65 1604.70183 -312.225385 -312.2205957 7.368067229e-05 0.2291991481 0.04015446359 0.01268783288
|
|
1389 65 1604.70183 -312.2254056 -312.2210001 6.777742558e-05 0.2495186589 0.06125012442 0.01330510234
|
|
1390 65 1604.70183 -312.2255576 -312.2216823 5.96197099e-05 0.312394202 0.127738152 0.01464996906
|
|
1391 65 1604.70183 -312.2260476 -312.2225228 5.422730871e-05 0.4811114846 0.2753225514 0.01758794168
|
|
1392 65 1604.70183 -312.2083822 -312.1960763 0.0001893218359 0.4119130019 0.4721624472 0.01303525404
|
|
1393 65 1604.70183 -312.2254509 -312.2218095 5.602107428e-05 0.8516900115 0.5851750769 0.02484631592
|
|
1394 65 1604.70183 -312.2261565 -312.2224637 5.68125628e-05 0.7178116616 0.4696368815 0.02197735201
|
|
1395 65 1604.70183 -312.215422 -312.205204 0.0001572007618 0.3202102573 0.2948484111 0.01140280715
|
|
1396 65 1604.70183 -312.219802 -312.2097333 0.0001549026811 0.309940047 0.2698684355 0.01354628258
|
|
1397 65 1604.70183 -312.2227562 -312.2134778 0.0001427452338 0.2393799868 0.1535766773 0.01207708746
|
|
1398 65 1604.70183 -312.2238237 -312.2147912 0.0001389612929 0.2490464401 0.1627557782 0.01241972659
|
|
1399 65 1604.70183 -312.2246038 -312.2161771 0.0001296414707 0.2513296049 0.1038810932 0.01217141024
|
|
1400 65 1604.70183 -312.2244961 -312.2162846 0.0001263303834 0.2884842377 0.1306384371 0.0123122002
|
|
1401 65 1604.70183 -312.0543914 -312.0094186 0.0006918896297 2.738747334 2.761689725 0.02749784329
|
|
1402 65 1604.70183 -312.2966977 -312.2917783 7.56837516e-05 0.2168909747 0.1088094589 0.01236506047
|
|
1403 65 1604.70183 -312.2968719 -312.2924141 6.858171031e-05 0.2251834573 0.1058273719 0.01238617383
|
|
1404 65 1604.70183 -312.2970863 -312.293034 6.234266636e-05 0.218524795 0.06008167285 0.01237488709
|
|
1405 65 1604.70183 -312.2970577 -312.2931628 5.992223967e-05 0.2197917834 0.07186056592 0.01253564272
|
|
1406 65 1604.70183 -312.2970273 -312.2934651 5.480433965e-05 0.2189274609 0.04874214637 0.01227897932
|
|
1407 65 1604.70183 -312.2969466 -312.2934936 5.31234205e-05 0.2217669883 0.06431543277 0.01228309808
|
|
1408 65 1604.70183 -312.2968613 -312.2936868 4.8838672e-05 0.2207880102 0.04786194818 0.01258141628
|
|
1409 65 1604.70183 -312.2967959 -312.2936992 4.764163908e-05 0.2218737975 0.05908802148 0.01269241355
|
|
1410 65 1604.70183 -312.2966287 -312.2938174 4.32507949e-05 0.2277967299 0.05733188331 0.01204890602
|
|
1411 65 1604.70183 -312.2966658 -312.2938211 4.376472002e-05 0.2264506807 0.04690513771 0.01205506158
|
|
1412 65 1604.70183 -312.2481745 -312.2285727 0.0003015659011 0.6896905418 0.8795445231 0.01753529736
|
|
1413 65 1604.70183 -312.2967844 -312.2939276 4.394955774e-05 0.2266753022 0.03497701698 0.01212534305
|
|
1414 65 1604.70183 -312.2968032 -312.2939326 4.416279008e-05 0.2274489209 0.04254563899 0.01218784541
|
|
1415 65 1604.70183 -312.2971197 -312.2940641 4.700973515e-05 0.2276680025 0.04238810739 0.01222648893
|
|
1416 65 1604.70183 -312.2981381 -312.2943333 5.85364341e-05 0.2338746568 0.08542958409 0.01285450066
|
|
1417 65 1604.70183 -312.298543 -312.2947244 5.874793281e-05 0.2401134358 0.09482068225 0.01258454966
|
|
1418 65 1604.70183 -312.2985555 -312.2947245 5.893830042e-05 0.2406346203 0.0989506874 0.01260710603
|
|
1419 65 1604.70183 -312.2989506 -312.2950057 6.068947805e-05 0.2450542783 0.08581638057 0.01221035363
|
|
1420 65 1604.70183 -312.2999538 -312.295297 7.164311528e-05 0.2638289521 0.1731068406 0.01265320989
|
|
1421 65 1604.70183 -312.300225 -312.29544 7.361573625e-05 0.2667580863 0.1768624607 0.01271748721
|
|
1422 65 1604.70183 -312.301096 -312.2958892 8.010406815e-05 0.2763534789 0.191888832 0.01301476927
|
|
1423 65 1604.70183 -312.2576994 -312.2399742 0.0002726959317 0.6433790579 0.8357718198 0.0188730065
|
|
1424 65 1604.70183 -312.3030812 -312.2968905 9.524155205e-05 0.2982028749 0.2241439295 0.01368099225
|
|
1425 65 1604.70183 -312.3079939 -312.2992858 0.0001339699975 0.349427802 0.2940926924 0.01513027022
|
|
1426 65 1604.70183 -312.3211903 -312.3055753 0.0002402302158 0.4633297547 0.4447822223 0.0181089446
|
|
1427 65 1604.70183 -312.3563716 -312.3229186 0.0005146618162 0.6775301899 0.761608579 0.02425762784
|
|
1428 65 1604.70183 -312.4281741 -312.3563291 0.00110530785 1.058014407 1.493029397 0.03687133028
|
|
1429 65 1604.70183 -312.4285577 -312.3564962 0.001108637439 1.060035516 1.495738598 0.0368715148
|
|
1430 65 1604.70183 -312.4297106 -312.3569139 0.001119948329 1.065921894 1.507655233 0.03711618573
|
|
1431 65 1604.70183 -312.4319708 -312.3577405 0.001142005605 1.077827743 1.531639184 0.03758570171
|
|
1432 65 1604.70183 -312.2777389 -312.2666967 0.0001698795332 0.3992539725 0.4903169532 0.01431794918
|
|
1433 65 1604.70183 -312.2862337 -312.2755264 0.0001647266094 0.3271473209 0.5181548416 0.0163831798
|
|
1434 65 1604.70183 -312.2914187 -312.2847642 0.0001023775084 0.3158646394 0.3854652273 0.01244927157
|
|
1435 65 1604.70183 -312.2915785 -312.2848573 0.0001034032403 0.32584616 0.4245026405 0.01272009139
|
|
1436 65 1604.70183 -312.2959893 -312.2902378 8.848412172e-05 0.2263330031 0.1891256354 0.01313393884
|
|
1437 65 1604.70183 -312.2959264 -312.2902483 8.735497425e-05 0.2262395014 0.1787910358 0.01289272427
|
|
1438 65 1604.70183 -312.7540973 -312.7405613 0.0002082459222 1.530193513 1.937896006 0.03182520568
|
|
1439 65 1604.70183 -312.8514913 -312.870317 0.0002896258166 0.23044588 0.07278135669 0.0121409078
|
|
1440 65 1604.70183 -312.8517345 -312.8705004 0.0002887064155 0.2341735465 0.08426801205 0.01217917543
|
|
1441 65 1604.70183 -312.8522027 -312.8709317 0.0002881381649 0.2211539694 0.05060552547 0.01207707525
|
|
1442 65 1604.70183 -312.8524299 -312.8710638 0.0002866762679 0.2204165736 0.06525547566 0.01224426345
|
|
1443 65 1604.70183 -312.8526066 -312.8713727 0.000288708583 0.2193415498 0.04126523561 0.01205301898
|
|
1444 65 1604.70183 -312.852639 -312.8714565 0.0002895005618 0.2214964109 0.04923255969 0.01201009614
|
|
1445 65 1604.70183 -312.852739 -312.8716455 0.0002908685001 0.2201565779 0.03252482529 0.01193702174
|
|
1446 65 1604.70183 -312.8527387 -312.8716705 0.0002912591245 0.2217520792 0.04455467087 0.01193581833
|
|
1447 65 1604.70183 -312.8527424 -312.8717849 0.0002929611111 0.227234534 0.03204215839 0.01210681171
|
|
1448 65 1604.70183 -312.8527172 -312.8717902 0.0002934309256 0.2316829007 0.03811008445 0.01216586386
|
|
1449 65 1604.70183 -312.8305636 -312.845919 0.0002362369906 0.4535426757 0.5525076996 0.01703162255
|
|
1450 65 1604.70183 -312.8528063 -312.871858 0.0002931027862 0.2211040641 0.03277788196 0.01214235331
|
|
1451 65 1604.70183 -312.8528053 -312.8718575 0.000293110933 0.2210868878 0.03355283043 0.01214619167
|
|
1452 65 1604.70183 -312.8338954 -312.8501606 0.0002502326038 0.4345409808 0.5057147985 0.0161587889
|
|
1453 65 1604.70183 -312.8414078 -312.8599995 0.0002860251911 0.326874161 0.3010213589 0.01224306108
|
|
1454 65 1604.70183 -312.845387 -312.8637044 0.0002818060175 0.3281338751 0.2919634715 0.01350881646
|
|
1455 65 1604.70183 -312.8485606 -312.8673608 0.0002892335756 0.2699577511 0.1735004231 0.01345088536
|
|
1456 65 1604.70183 -312.848967 -312.8679859 0.0002925990409 0.3751876072 0.2172682873 0.01500523854
|
|
1457 65 1604.70183 -312.85084 -312.8695929 0.0002885060698 0.2405412764 0.1224136373 0.01233715413
|
|
1458 65 1604.70183 -312.850837 -312.8695934 0.000288559536 0.2399247576 0.1205737127 0.01235796858
|
|
1459 65 1604.70183 -312.3832363 -312.3206748 0.0009624845556 3.145011288 3.389739231 0.0602661758
|
|
1460 65 1604.70183 -312.6508033 -312.654817 6.17487688e-05 0.4484186766 0.145299961 0.02193373538
|
|
1461 65 1604.70183 -312.6531827 -312.6557767 3.990685031e-05 0.4502292093 0.1638706858 0.0219355965
|
|
1462 65 1604.70183 -312.6547057 -312.6571103 3.699396602e-05 0.4453265266 0.09919509428 0.02175965322
|
|
1463 65 1604.70183 -312.655539 -312.6575315 3.065449861e-05 0.4564610906 0.1167795243 0.0221916379
|
|
1464 65 1604.70183 -312.6564779 -312.6582116 2.667262006e-05 0.4488519566 0.07141543596 0.0220535037
|
|
1465 65 1604.70183 -312.6566542 -312.6582727 2.490116972e-05 0.4530462898 0.08591795037 0.02220640458
|
|
1466 65 1604.70183 -312.6572512 -312.658692 2.216601639e-05 0.4556448088 0.05464787808 0.02198395427
|
|
1467 65 1604.70183 -312.6573788 -312.6587369 2.089365885e-05 0.4607758515 0.06975183178 0.02201573524
|
|
1468 65 1604.70183 -312.6584246 -312.6590101 9.007129112e-06 0.4584411972 0.05304330046 0.02209421771
|
|
1469 65 1604.70183 -312.6586882 -312.6590221 5.136154473e-06 0.4595093466 0.06581872891 0.02217633382
|
|
1470 65 1604.70183 -312.6073968 -312.6055894 2.780518565e-05 0.7809070648 0.7900772516 0.03298833644
|
|
1471 65 1604.70183 -312.659871 -312.6591795 1.063753322e-05 0.4590847652 0.05486684366 0.02254486229
|
|
1472 65 1604.70183 -312.6598783 -312.659179 1.075744324e-05 0.4590957752 0.05470551136 0.02255024089
|
|
1473 65 1604.70183 -312.6607762 -312.6593069 2.260498899e-05 0.46253423 0.03277021192 0.02274654793
|
|
1474 65 1604.70183 -312.6609483 -312.6593087 2.522433676e-05 0.4635194319 0.03619545847 0.0228241341
|
|
1475 65 1604.70183 -312.6612519 -312.65938 2.879910772e-05 0.4633391843 0.02054233675 0.02281288387
|
|
1476 65 1604.70183 -312.6614059 -312.6593876 3.105067301e-05 0.4635879766 0.02544780837 0.02281916566
|
|
1477 65 1604.70183 -312.6092925 -312.6078171 2.269844411e-05 0.7814791963 0.7921786049 0.03304306324
|
|
1478 65 1604.70183 -312.6244221 -312.6304102 9.212458988e-05 0.6302884167 0.4484425148 0.02712745979
|
|
1479 65 1604.70183 -312.6299001 -312.6365985 0.0001030523959 0.6025192817 0.4575187639 0.02585010752
|
|
1480 65 1604.70183 -312.6379163 -312.6453488 0.0001143456891 0.5242340871 0.3062924865 0.0235656133
|
|
1481 65 1604.70183 -312.6409435 -312.6474673 0.0001003666774 0.5580497186 0.4179093656 0.02315806883
|
|
1482 65 1604.70183 -312.6472833 -312.6525929 8.168605121e-05 0.4623859213 0.1985261599 0.02227992567
|
|
1483 65 1604.70183 -312.6481397 -312.652785 7.146614017e-05 0.4687826104 0.2240826165 0.02249996226
|
|
1484 65 1604.70183 -312.7291519 -312.7159502 0.000203102832 1.756098958 2.168297738 0.03291742411
|
|
1485 65 1604.70183 -312.8414046 -312.8654033 0.0003692109283 0.299005278 0.08500929041 0.01493563382
|
|
1486 65 1604.70183 -312.8416168 -312.865742 0.0003711575232 0.3089900477 0.09784340803 0.01477163413
|
|
1487 65 1604.70183 -312.8422571 -312.8663836 0.0003711772163 0.290690555 0.05970326011 0.01475522357
|
|
1488 65 1604.70183 -312.8425267 -312.8665704 0.0003699036558 0.2838255979 0.07126206381 0.01479059389
|
|
1489 65 1604.70183 -312.8429026 -312.8670142 0.0003709482564 0.2749733343 0.05108921113 0.01441013587
|
|
1490 65 1604.70183 -312.8431369 -312.8672384 0.0003707916295 0.274316238 0.09110849495 0.01403217641
|
|
1491 65 1604.70183 -312.8433015 -312.8674458 0.0003714500837 0.2757840155 0.07799756682 0.01403891007
|
|
1492 65 1604.70183 -312.8435355 -312.8677627 0.0003727271918 0.2949645253 0.08841182136 0.01413651662
|
|
1493 65 1604.70183 -312.8439186 -312.8680543 0.0003713175278 0.2743336682 0.05695538054 0.0136778816
|
|
1494 65 1604.70183 -312.8441455 -312.8682015 0.0003700928904 0.2798875411 0.07864845119 0.01379714936
|
|
1495 65 1604.70183 -312.8229701 -312.8425211 0.0003007834132 0.4469965802 0.5226966217 0.01808269285
|
|
1496 65 1604.70183 -312.8445846 -312.8684803 0.0003676257707 0.2715648939 0.06082312863 0.01382290182
|
|
1497 65 1604.70183 -312.8451732 -312.8686936 0.0003618527052 0.2685040339 0.08369111397 0.01391275123
|
|
1498 65 1604.70183 -312.8456698 -312.8690064 0.0003590245612 0.2653070328 0.05605501197 0.01370911509
|
|
1499 65 1604.70183 -312.8460509 -312.869152 0.0003554014823 0.2761851566 0.0657281091 0.01385519887
|
|
1500 65 1604.70183 -312.846553 -312.8693929 0.0003513823227 0.2662767144 0.04290395344 0.01379944404
|
|
1501 65 1604.70183 -312.8468132 -312.8694605 0.0003484196367 0.262536261 0.05182760441 0.01379234951
|
|
1502 65 1604.70183 -312.8471159 -312.8696538 0.0003467375355 0.2678285007 0.04127732369 0.01384462817
|
|
1503 65 1604.70183 -312.8473392 -312.8697356 0.0003445602329 0.2879452511 0.0780404356 0.01400544788
|
|
1504 65 1604.70183 -312.8475138 -312.8698108 0.0003430305158 0.2832955587 0.07443355489 0.0139258056
|
|
1505 65 1604.70183 -312.8479907 -312.8700026 0.0003386439654 0.2711908928 0.06964737679 0.01370379192
|
|
1506 65 1604.70183 -312.8254325 -312.8456189 0.0003105608172 0.4298189643 0.4828166376 0.01751485034
|
|
1507 65 1604.70183 -312.8481113 -312.8700916 0.0003381578824 0.2624857905 0.05064571752 0.01358632587
|
|
1508 65 1604.70183 -312.8482718 -312.8701628 0.0003367836098 0.2535786527 0.04654086702 0.01337230593
|
|
1509 65 1604.70183 -312.8483424 -312.8702158 0.0003365145272 0.2559428056 0.03628201067 0.01346744085
|
|
1510 65 1604.70183 -312.8484365 -312.8702555 0.0003356764457 0.2693731676 0.04666243871 0.01368643849
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|
1511 65 1604.70183 -312.8319214 -312.8545239 0.000347730165 0.3428129538 0.2930063883 0.01428369674
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|
1512 65 1604.70183 -312.8353662 -312.8580391 0.000348814133 0.3416541095 0.2946344923 0.01422925807
|
|
1513 65 1604.70183 -312.8383281 -312.8618364 0.0003616662659 0.3268779204 0.1824399 0.01543140799
|
|
1514 65 1604.70183 -312.838503 -312.8626371 0.0003712949274 0.460478761 0.2350394036 0.01726430532
|
|
1515 65 1604.70183 -312.8408272 -312.8644913 0.0003640625887 0.298217957 0.1366550997 0.015483575
|
|
1516 65 1604.70183 -312.8408106 -312.8644947 0.000364370659 0.2989827872 0.1312536124 0.01552440975
|
|
1517 65 1604.70183 -312.327762 -312.333868 9.393849724e-05 0.800959646 1.188326454 0.02744273466
|
|
1518 65 1604.70183 -312.3702813 -312.3972401 0.0004147495937 0.2265799449 0.04371284253 0.01269453975
|
|
1519 65 1604.70183 -312.3704653 -312.3973262 0.0004132443408 0.2236851079 0.05404305614 0.01312023797
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|
1520 65 1604.70183 -312.3706221 -312.3975356 0.0004140543349 0.226885813 0.04083076281 0.01279988738
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|
1521 65 1604.70183 -312.3706905 -312.3976308 0.0004144667152 0.2355489707 0.06360311688 0.01247398191
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|
1522 65 1604.70183 -312.370848 -312.3977584 0.0004140052177 0.2340681694 0.04995381103 0.01262337485
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|
1523 65 1604.70183 -312.3710478 -312.3978692 0.0004126367143 0.2349025193 0.04464682791 0.01319686205
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|
1524 65 1604.70183 -312.3709854 -312.3979567 0.0004149442432 0.2382723069 0.02073837783 0.01308866016
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|
1525 65 1604.70183 -312.3709214 -312.3979634 0.0004160319917 0.2409720034 0.0206079852 0.01302207876
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|
1526 65 1604.70183 -312.3709188 -312.39799 0.0004164797318 0.241038503 0.01504015176 0.01302728951
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|
1527 65 1604.70183 -312.370897 -312.3979969 0.0004169204179 0.2416549204 0.02235873024 0.01301887883
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|
1528 65 1604.70183 -312.355692 -312.3781124 0.0003449291605 0.3948605557 0.4628637028 0.01501017002
|
|
1529 65 1604.70183 -312.3587639 -312.3827926 0.0003696714473 0.3692112745 0.4064338063 0.01513764906
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|
1530 65 1604.70183 -312.363878 -312.3897535 0.0003980844729 0.304658935 0.2636090059 0.01292504746
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|
1531 65 1604.70183 -312.367811 -312.3938568 0.0004007043309 0.2638787355 0.2298444864 0.01339080279
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|
1532 65 1604.70183 -312.369353 -312.3961663 0.0004125129123 0.2316001753 0.09724602398 0.0124316165
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|
1533 65 1604.70183 -312.3695714 -312.3963796 0.0004124340007 0.2291059351 0.09586946525 0.01289583263
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|
1534 65 1604.70183 -312.3698737 -312.3968549 0.0004150967684 0.2290015379 0.05675509794 0.01251836245
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|
1535 65 1604.70183 -312.3699094 -312.3969261 0.0004156415326 0.2333656937 0.07047845301 0.01232402403
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|
1536 65 1604.70183 -311.301334 -311.2348682 0.00102255067 0.6064942463 0.9996564599 0.02532871561
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|
1537 65 1604.70183 -311.3293478 -311.2747215 0.0008404044382 0.1374248764 0.02195966038 0.006923829834
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|
1538 65 1604.70183 -311.3294326 -311.2746781 0.0008423765122 0.1374448227 0.02455441698 0.006788270152
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|
1539 65 1604.70183 -311.3294673 -311.2746607 0.0008431789796 0.1390556176 0.01258058516 0.006539611377
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|
1540 65 1604.70183 -311.3294728 -311.2746492 0.0008434393465 0.1396348544 0.01392046238 0.006557044491
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|
1541 65 1604.70183 -311.3195149 -311.2651045 0.0008370839523 0.2819510651 0.3484006169 0.009047541289
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|
1542 65 1604.70183 -311.321618 -311.2674219 0.000833786011 0.2385220707 0.2979994374 0.009451488112
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|
1543 65 1604.70183 -311.32434 -311.2710971 0.0008191213334 0.1856999269 0.191070337 0.006912306138
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|
1544 65 1604.70183 -311.3268277 -311.2731729 0.0008254584811 0.1542124054 0.1657195843 0.008360132399
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|
1545 65 1604.70183 -311.3281434 -311.2743766 0.0008271813902 0.1395404648 0.07826520167 0.006570276187
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|
1546 65 1604.70183 -311.3288758 -311.2745599 0.0008356294555 0.1384511511 0.06924284238 0.007381386539
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|
1547 65 1604.70183 -311.3291529 -311.2747141 0.0008375207602 0.1367127516 0.03444687336 0.007126950841
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|
1548 65 1604.70183 -311.3292303 -311.2747033 0.0008388766489 0.1382544447 0.03900213994 0.007141104961
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|
1549 65 1604.70183 -312.1678313 -312.1287363 0.0006014615342 1.038602404 1.54194865 0.02984161893
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|
1550 65 1604.70183 -312.2260348 -312.2187507 0.0001120635732 0.2153455924 0.05918640633 0.0120298341
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|
1551 65 1604.70183 -312.2259538 -312.2190409 0.0001063521263 0.2152564672 0.0742889861 0.01217667505
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|
1552 65 1604.70183 -312.2259054 -312.219555 9.769808359e-05 0.2145803954 0.04892267893 0.01205557459
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|
1553 65 1604.70183 -312.2256266 -312.2198484 8.889519203e-05 0.2197908904 0.06180177563 0.0122053366
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|
1554 65 1604.70183 -312.2253784 -312.220153 8.039048019e-05 0.2211139901 0.03887495663 0.01188153285
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|
1555 65 1604.70183 -312.2251311 -312.2202354 7.531881933e-05 0.2263980841 0.05066776441 0.01193692138
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|
1556 65 1604.70183 -312.22496 -312.2204422 6.950460783e-05 0.2304533324 0.04499900624 0.01218352521
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|
1557 65 1604.70183 -312.2250489 -312.2204062 7.142600576e-05 0.2257188625 0.03359847056 0.01201079321
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|
1558 65 1604.70183 -312.2130901 -312.1986598 0.0002220037255 0.3973646164 0.477116045 0.01549826372
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|
1559 65 1604.70183 -312.2157681 -312.2025184 0.0002038414576 0.3892415014 0.4257655759 0.01518321661
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|
1560 65 1604.70183 -312.2207417 -312.2095824 0.0001716818372 0.2709321736 0.2631201474 0.0129433239
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|
1561 65 1604.70183 -312.2222593 -312.212478 0.0001504818082 0.365433784 0.2720535465 0.01363788434
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|
1562 65 1604.70183 -312.2248649 -312.2159609 0.0001369838513 0.231026883 0.1496272607 0.01223264511
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|
1563 65 1604.70183 -312.2250411 -312.2166428 0.0001292047727 0.2747880238 0.1829420177 0.0124445407
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|
1564 65 1604.70183 -312.225909 -312.2180967 0.0001201887595 0.2184872864 0.08310642569 0.01221614882
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|
1565 65 1604.70183 -312.2258504 -312.2181582 0.000118340945 0.2296267081 0.09241389332 0.0123460033
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|
1566 65 1604.70183 -312.2671588 -312.236188 0.0004764744469 1.30505222 1.961407897 0.03976498434
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|
1567 65 1604.70183 -312.3710543 -312.3977724 0.0004110472685 0.2396490052 0.06357048513 0.01316737179
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|
1568 65 1604.70183 -312.3710507 -312.3979004 0.0004130731958 0.2406314369 0.07353398066 0.01284412308
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|
1569 65 1604.70183 -312.3711299 -312.3981568 0.0004157978009 0.2352895058 0.03222553356 0.013441692
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|
1570 65 1604.70183 -312.3711011 -312.3981508 0.0004161498477 0.2349650125 0.03899801706 0.01367109859
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|
1571 65 1604.70183 -312.3708175 -312.3981887 0.0004210958893 0.2436876116 0.0268252255 0.01330462795
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|
1572 65 1604.70183 -312.3708342 -312.3981899 0.0004208578216 0.2432048908 0.02592544977 0.01331631444
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|
1573 65 1604.70183 -312.3453122 -312.3596196 0.0002201130992 0.5378389796 0.7481307177 0.02076017631
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|
1574 65 1604.70183 -312.3566432 -312.3756551 0.000292490207 0.4026246803 0.5543902615 0.01772336717
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|
1575 65 1604.70183 -312.3645136 -312.387789 0.0003580841736 0.2908594125 0.3104521376 0.0137153133
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|
1576 65 1604.70183 -312.3674807 -312.3920315 0.0003777039 0.2774527819 0.2443965406 0.01351031658
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|
1577 65 1604.70183 -312.3695541 -312.3947988 0.0003883794364 0.243154727 0.1302215855 0.01308677898
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|
1578 65 1604.70183 -312.3702316 -312.3954613 0.0003881502421 0.2399021854 0.1302137945 0.01347089751
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|
1579 65 1604.70183 -312.3706404 -312.3964778 0.0003974988044 0.2382575556 0.09065542118 0.0133174982
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|
1580 65 1604.70183 -312.3707303 -312.3970449 0.0004048400002 0.2446826519 0.1153045014 0.01376033942
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|
1581 65 1604.70183 -311.8100503 -311.7370707 0.001122762268 1.359046896 1.617388931 0.02583129324
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|
1582 65 1604.70183 -311.8733588 -311.8253939 0.0007379221883 0.3226366092 0.07287883312 0.01867192488
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|
1583 65 1604.70183 -311.8723246 -311.8255611 0.0007194388442 0.316000775 0.09144487456 0.01858303179
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|
1584 65 1604.70183 -311.8707938 -311.8260534 0.0006883134443 0.3257787067 0.05727231457 0.01822023302
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|
1585 65 1604.70183 -311.8700265 -311.8261188 0.0006755035475 0.3317708054 0.06211705222 0.01802364303
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|
1586 65 1604.70183 -311.8696203 -311.8264523 0.0006641240385 0.3308232037 0.04122839703 0.01790530402
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|
1587 65 1604.70183 -311.869261 -311.8265429 0.0006572005253 0.3323677062 0.05666638895 0.01783645905
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|
1588 65 1604.70183 -311.8689558 -311.8266866 0.0006502943073 0.3247158721 0.03534014898 0.01786466718
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|
1589 65 1604.70183 -311.8688981 -311.8266893 0.000649366676 0.3241761632 0.03917127154 0.01790360178
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|
1590 65 1604.70183 -311.8685972 -311.8267943 0.0006431211808 0.3267998064 0.02331143541 0.01770617621
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|
1591 65 1604.70183 -311.8684986 -311.8268049 0.000641442041 0.3279746574 0.02847534254 0.01766520206
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|
1592 65 1604.70183 -311.8681703 -311.807836 0.0009282198184 0.4283809241 0.4364812907 0.02060785589
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|
1593 65 1604.70183 -311.8709231 -311.8096876 0.0009420852738 0.378745247 0.4247065819 0.02165952166
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|
1594 65 1604.70183 -311.8746052 -311.8167905 0.0008894573747 0.3168776754 0.256668869 0.01932592927
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|
1595 65 1604.70183 -311.8756898 -311.819826 0.0008594431016 0.3143728053 0.2401659989 0.01813783731
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|
1596 65 1604.70183 -311.8759922 -311.8225373 0.000822384388 0.3033666856 0.1373546088 0.01847265325
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|
1597 65 1604.70183 -311.8753171 -311.8234045 0.0007986548856 0.3166461598 0.150141204 0.01893600454
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|
1598 65 1604.70183 -311.8744912 -311.8245661 0.0007680795259 0.3282095318 0.09489433833 0.01885649616
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|
1599 65 1604.70183 -311.8740419 -311.8246518 0.0007598469185 0.3419291639 0.1160296015 0.01873109685
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|
1600 65 1604.70183 -311.7066774 -311.61284 0.001443651046 0.8252102752 1.389388578 0.03385606002
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|
1601 65 1604.70183 -311.7507343 -311.6908775 0.0009208747357 0.125340359 0.107279865 0.007434169724
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|
1602 65 1604.70183 -311.7506812 -311.6934138 0.0008810365896 0.1421207161 0.1196836435 0.00900788484
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|
1603 65 1604.70183 -311.7504138 -311.6942056 0.0008647416798 0.1570406742 0.1484302015 0.01011046851
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|
1604 65 1604.70183 -311.75029 -311.695683 0.0008401079535 0.1590359506 0.1457329572 0.01062718455
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|
1605 65 1604.70183 -311.7489971 -311.6995205 0.0007611776674 0.1836848285 0.166436411 0.01241959528
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|
1606 65 1604.70183 -311.7485635 -311.7017357 0.0007204264594 0.187077807 0.1463846837 0.012205411
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|
1607 65 1604.70183 -311.7460513 -311.706665 0.0006059436402 0.2233123509 0.1841154237 0.01254633054
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|
1608 65 1604.70183 -311.7457255 -311.7093732 0.0005592662739 0.2200769314 0.1517065309 0.01193818798
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|
1609 65 1604.70183 -311.7437945 -311.7151929 0.0004400247621 0.2461560687 0.1847180673 0.01267677227
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|
1610 65 1604.70183 -311.7356037 -311.7153281 0.0003119315651 0.4017112463 0.5104476857 0.02132382084
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|
1611 65 1604.70183 -311.7413365 -311.6734324 0.001044677878 0.3429830476 0.483687256 0.01387099264
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|
1612 65 1604.70183 -311.7420996 -311.7168022 0.0003891908308 0.2796244574 0.2630679349 0.01498652452
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|
1613 65 1604.70183 -311.7418429 -311.71827 0.0003626605635 0.2827252041 0.248599392 0.01475070275
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|
1614 65 1604.70183 -311.7408859 -311.7218214 0.0002933013821 0.3003272228 0.2183110861 0.01407596347
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|
1615 65 1604.70183 -311.7381096 -311.7251301 0.0001996836689 0.3649883665 0.2417327988 0.0142229613
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|
1616 65 1604.70183 -311.7395849 -311.72737 0.0001879213013 0.3454465555 0.179752837 0.01398965271
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|
1617 65 1604.70183 -311.7414166 -311.7297102 0.0001800982794 0.3480142091 0.2020669559 0.01523606486
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|
1618 65 1604.70183 -311.7441548 -311.7320295 0.0001865431381 0.3434140605 0.1403102391 0.0157297698
|
|
1619 65 1604.70183 -311.7475981 -311.7336903 0.000213965505 0.353855768 0.146467297 0.01748008891
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|
1620 65 1604.70183 -311.7506156 -311.7350658 0.0002392277558 0.3510436683 0.09099578139 0.01710627069
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|
1621 65 1604.70183 -311.7521288 -311.735314 0.0002586892245 0.356054114 0.1250668592 0.01724375439
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|
1622 65 1604.70183 -311.7452935 -311.6796296 0.001010212808 0.2649401716 0.3524291236 0.01181809725
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|
1623 65 1604.70183 -311.7560816 -311.7364508 0.0003020133679 0.3453845305 0.09106363231 0.01754366527
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|
1624 65 1604.70183 -311.7605707 -311.7369162 0.0003639166927 0.3415259276 0.1245486893 0.01832594633
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|
1625 65 1604.70183 -311.7644567 -311.7380594 0.0004061137299 0.3430108555 0.09655823044 0.01777531337
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|
1626 65 1604.70183 -311.7688542 -311.7384547 0.000467684899 0.3561060438 0.1667789581 0.0177830527
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|
1627 65 1604.70183 -311.7712532 -311.7391844 0.0004933651617 0.3585017483 0.1591503132 0.01767552697
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|
1628 65 1604.70183 -311.7779063 -311.7410332 0.0005672789563 0.368845438 0.1684189821 0.01751378576
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|
1629 65 1604.70183 -311.7881891 -311.7433445 0.000689916675 0.4041633984 0.284113402 0.01789665659
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|
1630 65 1604.70183 -311.794081 -311.7416526 0.0008065902211 0.5309160287 0.6078985961 0.020412471
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|
1631 65 1604.70183 -311.7941251 -311.7435502 0.0007780764287 0.4723194268 0.4741557584 0.01943618918
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|
1632 65 1604.70183 -311.7946115 -311.7438906 0.0007803221843 0.4748025944 0.4791641612 0.01938260985
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|
1633 65 1604.70183 -311.7483307 -311.6843619 0.0009841354656 0.184899201 0.206768869 0.008369053809
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|
1634 65 1604.70183 -311.7958838 -311.7449019 0.0007843359465 0.4825223032 0.4950837039 0.01926377043
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|
1635 65 1604.70183 -311.79772 -311.7467965 0.0007834381395 0.4988629696 0.5286605228 0.01906369566
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|
1636 65 1604.70183 -311.7989034 -311.7494632 0.0007606184757 0.5354898914 0.6063389044 0.01919495856
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|
1637 65 1604.70183 -311.7952329 -311.7404734 0.0008424539108 0.6382959214 0.8492895568 0.02598595613
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|
1638 65 1604.70183 -311.798786 -311.749702 0.0007551378893 0.5458106132 0.6294937719 0.01945213207
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|
1639 65 1604.70183 -311.8018603 -311.7543466 0.000730980046 0.5249949991 0.5897539351 0.01895122824
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|
1640 65 1604.70183 -311.8094554 -311.7653682 0.0006782647508 0.4755680458 0.508858474 0.01819794553
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|
1641 65 1604.70183 -311.8172209 -311.7660341 0.0007874891964 0.4781450279 0.6384762549 0.02676090288
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|
1642 65 1604.70183 -311.8140372 -311.7700033 0.0006774451252 0.456170842 0.5096465215 0.01965232432
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|
1643 65 1604.70183 -311.8180267 -311.7761928 0.0006435975418 0.4303478023 0.4397650545 0.01855466639
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|
1644 65 1604.70183 -311.7493646 -311.6860327 0.0009743374583 0.1693060841 0.1920151336 0.008415231979
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|
1645 65 1604.70183 -311.8259929 -311.7889904 0.0005692698179 0.4135352469 0.3419756759 0.01658975044
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|
1646 65 1604.70183 -311.8235581 -311.788549 0.0005386020347 0.6230627731 0.7049765192 0.02279121171
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|
1647 65 1604.70183 -311.8279434 -311.7931456 0.000535350555 0.4796696376 0.4531293554 0.0178702556
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|
1648 65 1604.70183 -311.8329798 -311.8008879 0.0004937220306 0.4371145428 0.3454249312 0.01711373672
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|
1649 65 1604.70183 -311.8377239 -311.8096147 0.0004324499785 0.4208086594 0.2678307655 0.01833365339
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|
1650 65 1604.70183 -311.8375855 -311.8097347 0.0004284730924 0.4286515525 0.2876800076 0.01853294165
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|
1651 65 1604.70183 -311.8416119 -311.8139623 0.0004253787375 0.4011467982 0.1975828832 0.01790138623
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|
1652 65 1604.70183 -311.8448039 -311.81628 0.0004388295564 0.4159042458 0.2364727963 0.01751681071
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|
1653 65 1604.70183 -311.8497429 -311.8197224 0.000461853283 0.3667849672 0.1780470023 0.01710612623
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|
1654 65 1604.70183 -311.8519214 -311.8205408 0.000482777792 0.3861754719 0.2543760847 0.0172604026
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|
1655 65 1604.70183 -311.7503334 -311.6877615 0.0009626456568 0.1292887824 0.1142191814 0.007199354442
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|
1656 65 1604.70183 -311.8558091 -311.8229968 0.0005048040004 0.3551481147 0.1602485431 0.01713100385
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|
1657 65 1604.70183 -311.8599782 -311.82413 0.0005515115953 0.340700043 0.1424902397 0.01727873833
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|
1658 65 1604.70183 -311.8619563 -311.8251371 0.0005664483759 0.3321888242 0.08989768538 0.01645560977
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|
1659 65 1604.70183 -311.750581 -311.6883861 0.0009568438753 0.1145605 0.111609603 0.007182515939
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|
1660 65 1604.70183 -311.7507338 -311.6892595 0.0009457585435 0.110249233 0.08685349601 0.006773142438
|
|
1661 65 1604.70183 -311.7506189 -311.6898947 0.0009342183495 0.1260636214 0.1223252968 0.007316880507
|
|
1662 65 1604.70183 -312.4185125 -312.3850669 0.000514548456 1.718119717 2.12467322 0.04203695136
|
|
1663 65 1604.70183 -312.5856271 -312.5900157 6.75172157e-05 0.4159690074 0.09288650788 0.02192504495
|
|
1664 65 1604.70183 -312.5867112 -312.5903197 5.551579121e-05 0.4202335073 0.1082413149 0.02235477242
|
|
1665 65 1604.70183 -312.5880095 -312.5912064 4.918322867e-05 0.4148596782 0.07061411505 0.02252600247
|
|
1666 65 1604.70183 -312.5890324 -312.5916557 4.035828492e-05 0.4175413269 0.09532302583 0.02284279862
|
|
1667 65 1604.70183 -312.5898068 -312.5924708 4.098490684e-05 0.4222520616 0.06268508776 0.02276515648
|
|
1668 65 1604.70183 -312.5901233 -312.5928123 4.136975985e-05 0.4312667798 0.07237214568 0.02272643782
|
|
1669 65 1604.70183 -312.5906059 -312.5933086 4.157914794e-05 0.420776106 0.0407745443 0.02260295297
|
|
1670 65 1604.70183 -312.5907279 -312.5934126 4.130207838e-05 0.4188080681 0.05425314955 0.02260232469
|
|
1671 65 1604.70183 -312.5910235 -312.5937509 4.195993108e-05 0.4181472908 0.03495556667 0.02271615897
|
|
1672 65 1604.70183 -312.5911049 -312.5938293 4.191427368e-05 0.4193165393 0.04355003891 0.02275880865
|
|
1673 65 1604.70183 -312.5230882 -312.5262227 4.822268212e-05 0.7940920252 0.8335388397 0.02657536648
|
|
1674 65 1604.70183 -312.5913855 -312.5940644 4.121304491e-05 0.4202058382 0.03338051978 0.0227604009
|
|
1675 65 1604.70183 -312.5914714 -312.5941113 4.061280697e-05 0.4219100364 0.04454970651 0.02275752813
|
|
1676 65 1604.70183 -312.5918429 -312.594274 3.74023546e-05 0.4128622104 0.02917220281 0.02288307318
|
|
1677 65 1604.70183 -312.59197 -312.594306 3.593972009e-05 0.4108282456 0.03633247821 0.022918683
|
|
1678 65 1604.70183 -312.5359845 -312.5413246 8.215594927e-05 0.7320865593 0.7588044149 0.02554966264
|
|
1679 65 1604.70183 -312.5560362 -312.5649386 0.0001369600277 0.5684560236 0.4596108311 0.02242062405
|
|
1680 65 1604.70183 -312.5679359 -312.574856 0.0001064625863 0.5454065505 0.45636622 0.0235875023
|
|
1681 65 1604.70183 -312.5763795 -312.5840378 0.0001178213443 0.4664530651 0.2546907237 0.02213208816
|
|
1682 65 1604.70183 -312.5778915 -312.5853166 0.0001142334951 0.5392122576 0.3093502651 0.0221229724
|
|
1683 65 1604.70183 -312.5832312 -312.5886299 8.305739827e-05 0.4305726829 0.161112223 0.02147704792
|
|
1684 65 1604.70183 -312.583232 -312.5886298 8.304286678e-05 0.4306143052 0.1612943761 0.02147331406
|
|
1685 65 1604.70183 -312.7408657 -312.7220629 0.0002892736402 1.667597697 2.018991348 0.03202573974
|
|
1686 65 1604.70183 -312.8495845 -312.8657124 0.0002481213115 0.266040983 0.10066527 0.01370236713
|
|
1687 65 1604.70183 -312.8500827 -312.8661537 0.000247245933 0.2585413224 0.1160045485 0.01360625392
|
|
1688 65 1604.70183 -312.85078 -312.8670765 0.0002507156845 0.2395014718 0.07223430571 0.01346284779
|
|
1689 65 1604.70183 -312.8510507 -312.867388 0.0002513417809 0.2369255305 0.09349027471 0.0135587581
|
|
1690 65 1604.70183 -312.8512832 -312.8681361 0.0002592747879 0.2388467338 0.06209768045 0.01323542388
|
|
1691 65 1604.70183 -312.8512643 -312.8684286 0.000264067223 0.248717361 0.08406537966 0.01316129412
|
|
1692 65 1604.70183 -312.8515357 -312.8690162 0.0002689307797 0.2326263909 0.06841735028 0.01275590873
|
|
1693 65 1604.70183 -312.8515049 -312.8690893 0.0002705286962 0.2381545111 0.09535145 0.01267822352
|
|
1694 65 1604.70183 -312.8515437 -312.8694314 0.0002751954391 0.2403912516 0.06817042813 0.01284845742
|
|
1695 65 1604.70183 -312.8513351 -312.8695849 0.0002807657336 0.2736711464 0.08261573572 0.01327432985
|
|
1696 65 1604.70183 -312.8264125 -312.8362187 0.000150864652 0.4707653187 0.5837512579 0.0186560436
|
|
1697 65 1604.70183 -312.8515393 -312.8699095 0.0002826180385 0.2598246715 0.05698701413 0.01310275578
|
|
1698 65 1604.70183 -312.8516143 -312.8700714 0.0002839554814 0.2539784391 0.06448288233 0.01310481263
|
|
1699 65 1604.70183 -312.8518467 -312.8703353 0.0002844402777 0.243030499 0.04067737912 0.01300033629
|
|
1700 65 1604.70183 -312.8298185 -312.8407055 0.0001674920771 0.4503525604 0.5469053726 0.01750162304
|
|
1701 65 1604.70183 -312.837977 -312.8522602 0.0002197423716 0.3543378243 0.3270158208 0.01436659775
|
|
1702 65 1604.70183 -312.8420337 -312.8567924 0.0002270562438 0.3687320133 0.3140059434 0.01539196243
|
|
1703 65 1604.70183 -312.8458068 -312.8612237 0.0002371823938 0.2931639757 0.1939039557 0.01508063634
|
|
1704 65 1604.70183 -312.8464868 -312.8622631 0.0002427121207 0.4083464836 0.2438804772 0.0166661778
|
|
1705 65 1604.70183 -312.8484325 -312.8644083 0.0002457813049 0.2975041596 0.1566249126 0.01419189806
|
|
1706 65 1604.70183 -312.8484333 -312.8644088 0.0002457777181 0.2965995908 0.1553162351 0.01420117978
|
|
# s_vIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1707 63 1604.70183 -302.0600466 -301.963864 0.00152670843 0.5669484352 1.255303072 0.040730203
|
|
1708 63 1604.70183 -302.1411177 -302.0639546 0.001224811545 0.3791765915 0.1439802587 0.01322051926
|
|
1709 63 1604.70183 -302.1471246 -302.0650808 0.001302282091 0.3705008632 0.1518789276 0.01379991095
|
|
1710 63 1604.70183 -302.1514152 -302.0666063 0.001346172714 0.351956715 0.06759786497 0.01400365926
|
|
1711 63 1604.70183 -302.1531007 -302.066815 0.001369615041 0.3466997342 0.07299485635 0.01448893148
|
|
1712 63 1604.70183 -302.1536664 -302.0672434 0.001371792886 0.3523596184 0.03153428306 0.01390131494
|
|
1713 63 1604.70183 -302.153852 -302.0673202 0.001373520605 0.3561063767 0.03175548866 0.01372171134
|
|
1714 63 1604.70183 -302.1541087 -302.0673961 0.001376389012 0.3571527977 0.0141777282 0.01376191732
|
|
1715 63 1604.70183 -302.1541066 -302.067397 0.001376343279 0.3571060376 0.01392129466 0.01374384606
|
|
1716 63 1604.70183 -302.0815091 -302.0161101 0.001038079397 0.3462411852 0.5230398817 0.01917793218
|
|
1717 63 1604.70183 -302.0846203 -302.0242245 0.0009586639853 0.347297429 0.3934456449 0.01230606932
|
|
1718 63 1604.70183 -302.090392 -302.0319351 0.0009278872323 0.3281656418 0.3097762997 0.00966409947
|
|
1719 63 1604.70183 -302.1002726 -302.041557 0.0009319937019 0.3523027923 0.3339746283 0.01363313564
|
|
1720 63 1604.70183 -302.102151 -302.0422479 0.0009508428075 0.3735486598 0.3907744969 0.01557541308
|
|
1721 63 1604.70183 -302.109541 -302.0489124 0.0009623596469 0.3726180858 0.3084001845 0.0143377092
|
|
1722 63 1604.70183 -302.1283558 -302.0592399 0.001097077989 0.3947017326 0.2324725691 0.01393267797
|
|
1723 63 1604.70183 -302.1319536 -302.0598006 0.001145286272 0.4042898157 0.264032255 0.01503389028
|
|
# s_vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1724 63 1604.70183 -300.8723028 -300.8419004 0.0004825781913 0.5919257853 1.051115235 0.0296832186
|
|
1725 63 1604.70183 -300.9174195 -300.9042829 0.0002085173075 0.1593923513 0.03525655982 0.007697598142
|
|
1726 63 1604.70183 -300.9174584 -300.9042834 0.0002091260776 0.1590664293 0.0375543632 0.007675024251
|
|
1727 63 1604.70183 -300.91774 -300.9043871 0.0002119517829 0.1545375006 0.02279477012 0.007877604761
|
|
1728 63 1604.70183 -300.9179292 -300.9044126 0.0002145491977 0.1520651145 0.02889282738 0.008071067773
|
|
1729 63 1604.70183 -300.9180703 -300.9044777 0.0002157551921 0.1512814453 0.01859520366 0.008064848509
|
|
1730 63 1604.70183 -300.9181228 -300.9044856 0.0002164629143 0.1513791847 0.02383622137 0.008105781338
|
|
1731 63 1604.70183 -300.8935481 -300.8798081 0.0002180965908 0.3648971846 0.4768100719 0.01266566334
|
|
1732 63 1604.70183 -300.8996649 -300.8874447 0.0001939705926 0.291559923 0.3262189728 0.0103201945
|
|
1733 63 1604.70183 -300.9038369 -300.8921993 0.0001847247233 0.2478079979 0.2272705484 0.007868779722
|
|
1734 63 1604.70183 -300.9081627 -300.8951476 0.0002065890786 0.2212520663 0.2720266612 0.01139340407
|
|
1735 63 1604.70183 -300.9114853 -300.8991251 0.0001961941758 0.1871945714 0.18899597 0.0100240347
|
|
1736 63 1604.70183 -300.9151102 -300.9020577 0.0002071824497 0.1803200202 0.1812047891 0.01059499196
|
|
1737 63 1604.70183 -300.9165774 -300.903866 0.0002017682364 0.1655762843 0.07416054433 0.008445981754
|
|
1738 63 1604.70183 -300.9168498 -300.9039829 0.000204236126 0.1682561035 0.07637585509 0.008034605928
|
|
1739 63 1604.70183 -300.7706132 -300.7360143 0.0005491885171 1.006392675 1.699764745 0.04253986361
|
|
1740 63 1604.70183 -300.878744 -300.9010154 0.0003535151324 0.264536738 0.09504134909 0.01165060002
|
|
1741 63 1604.70183 -300.8793601 -300.9012712 0.0003477957322 0.2656290365 0.119374214 0.01237512884
|
|
1742 63 1604.70183 -300.8811632 -300.9024223 0.0003374458563 0.2571773679 0.07390057041 0.01192729946
|
|
1743 63 1604.70183 -300.8823055 -300.9027788 0.000324974063 0.2565560106 0.08547472507 0.01212668665
|
|
1744 63 1604.70183 -300.8838457 -300.9033786 0.0003100451841 0.2528322338 0.06234713001 0.01165242801
|
|
1745 63 1604.70183 -300.884269 -300.9034138 0.0003038862471 0.2536978469 0.08066884258 0.0118296585
|
|
1746 63 1604.70183 -300.8859871 -300.903892 0.0002842049994 0.2459807016 0.06653314188 0.01179894942
|
|
1747 63 1604.70183 -300.8891216 -300.9042326 0.0002398564181 0.2382240245 0.1065524981 0.0124316165
|
|
1748 63 1604.70183 -300.8903909 -300.9046115 0.0002257225494 0.2319634251 0.08556001491 0.01210339465
|
|
1749 63 1604.70183 -300.8938081 -300.9051837 0.0001805637043 0.2187786572 0.0656817627 0.0115357532
|
|
1750 63 1604.70183 -300.8258265 -300.8329203 0.0001126002143 0.5746067755 0.7696926803 0.02060419684
|
|
1751 63 1604.70183 -300.8989104 -300.9039288 7.965847259e-05 0.2210109177 0.1959501679 0.0130408481
|
|
1752 63 1604.70183 -300.8956277 -300.9051255 0.0001507587461 0.2152203582 0.0951464456 0.01193484481
|
|
1753 63 1604.70183 -300.8974049 -300.9054262 0.0001273223804 0.2104510465 0.06599897376 0.01112936615
|
|
1754 63 1604.70183 -300.8998226 -300.9053614 8.79169977e-05 0.2107389264 0.08283985757 0.01066639888
|
|
1755 63 1604.70183 -300.901586 -300.9055698 6.32355653e-05 0.2068265554 0.06327067003 0.01024516173
|
|
1756 63 1604.70183 -300.9033869 -300.9054704 3.307153837e-05 0.2083543985 0.09085590033 0.0103282774
|
|
1757 63 1604.70183 -300.9052589 -300.9057429 7.683455236e-06 0.1996767316 0.06941819226 0.009966630669
|
|
1758 63 1604.70183 -300.9078466 -300.9057308 3.358293538e-05 0.1929693998 0.08288516362 0.009759576475
|
|
1759 63 1604.70183 -300.9115033 -300.9040208 0.0001187708396 0.2069672182 0.1928511178 0.01048618996
|
|
1760 63 1604.70183 -300.9099391 -300.9051512 7.599789573e-05 0.1956781306 0.1334998331 0.009992589688
|
|
1761 63 1604.70183 -300.838416 -300.8505367 0.0001923920832 0.5036500675 0.6213955083 0.01817037114
|
|
1762 63 1604.70183 -300.9109002 -300.9051298 9.159308001e-05 0.1915569498 0.1256294185 0.009652000099
|
|
1763 63 1604.70183 -300.9134193 -300.9048357 0.0001362469288 0.1818413834 0.1107049978 0.008689508092
|
|
1764 63 1604.70183 -300.8517057 -300.8676537 0.0002531437716 0.4012320425 0.4282552364 0.01481697094
|
|
1765 63 1604.70183 -300.8627863 -300.8785697 0.0002505306156 0.3594443773 0.4623712699 0.01882971398
|
|
1766 63 1604.70183 -300.8708036 -300.8902517 0.0003087006866 0.2887628891 0.2758713346 0.015348335
|
|
1767 63 1604.70183 -300.8741648 -300.8946842 0.0003257047774 0.2854347619 0.2591136678 0.01544811934
|
|
1768 63 1604.70183 -300.8764676 -300.8986431 0.0003519920442 0.2699071332 0.1411599181 0.01224442487
|
|
1769 63 1604.70183 -300.8768874 -300.8991785 0.0003538265357 0.2774033302 0.1663823221 0.01208118548
|
|
1770 63 1604.70183 -300.7706132 -300.7360143 0.0005491885171 1.006392675 1.699764745 0.04253986361
|
|
1771 63 1604.70183 -300.878744 -300.9010154 0.0003535151324 0.264536738 0.09504134909 0.01165060002
|
|
1772 63 1604.70183 -300.8793601 -300.9012712 0.0003477957322 0.2656290365 0.119374214 0.01237512884
|
|
1773 63 1604.70183 -300.8811632 -300.9024223 0.0003374458563 0.2571773679 0.07390057041 0.01192729946
|
|
1774 63 1604.70183 -300.8823055 -300.9027788 0.000324974063 0.2565560106 0.08547472507 0.01212668665
|
|
1775 63 1604.70183 -300.8838457 -300.9033786 0.0003100451841 0.2528322338 0.06234713001 0.01165242801
|
|
1776 63 1604.70183 -300.884269 -300.9034138 0.0003038862471 0.2536978469 0.08066884258 0.0118296585
|
|
1777 63 1604.70183 -300.8859871 -300.903892 0.0002842049994 0.2459807016 0.06653314188 0.01179894942
|
|
1778 63 1604.70183 -300.8891216 -300.9042326 0.0002398564181 0.2382240245 0.1065524981 0.0124316165
|
|
1779 63 1604.70183 -300.8903909 -300.9046115 0.0002257225494 0.2319634251 0.08556001491 0.01210339465
|
|
1780 63 1604.70183 -300.8938081 -300.9051837 0.0001805637043 0.2187786572 0.0656817627 0.0115357532
|
|
1781 63 1604.70183 -300.8258265 -300.8329203 0.0001126002143 0.5746067755 0.7696926803 0.02060419684
|
|
1782 63 1604.70183 -300.8989104 -300.9039288 7.965847259e-05 0.2210109177 0.1959501679 0.0130408481
|
|
1783 63 1604.70183 -300.8956277 -300.9051255 0.0001507587461 0.2152203582 0.0951464456 0.01193484481
|
|
1784 63 1604.70183 -300.8974049 -300.9054262 0.0001273223804 0.2104510465 0.06599897376 0.01112936615
|
|
1785 63 1604.70183 -300.8998226 -300.9053614 8.79169977e-05 0.2107389264 0.08283985757 0.01066639888
|
|
1786 63 1604.70183 -300.901586 -300.9055698 6.32355653e-05 0.2068265554 0.06327067003 0.01024516173
|
|
1787 63 1604.70183 -300.9033869 -300.9054704 3.307153837e-05 0.2083543985 0.09085590033 0.0103282774
|
|
1788 63 1604.70183 -300.9052589 -300.9057429 7.683455236e-06 0.1996767316 0.06941819226 0.009966630669
|
|
1789 63 1604.70183 -300.9078466 -300.9057308 3.358293538e-05 0.1929693998 0.08288516362 0.009759576475
|
|
1790 63 1604.70183 -300.9115033 -300.9040208 0.0001187708396 0.2069672182 0.1928511178 0.01048618996
|
|
1791 63 1604.70183 -300.9099391 -300.9051512 7.599789573e-05 0.1956781306 0.1334998331 0.009992589688
|
|
1792 63 1604.70183 -300.838416 -300.8505367 0.0001923920832 0.5036500675 0.6213955083 0.01817037114
|
|
1793 63 1604.70183 -300.9109002 -300.9051298 9.159308001e-05 0.1915569498 0.1256294185 0.009652000099
|
|
1794 63 1604.70183 -300.9134193 -300.9048357 0.0001362469288 0.1818413834 0.1107049978 0.008689508092
|
|
1795 63 1604.70183 -300.8517057 -300.8676537 0.0002531437716 0.4012320425 0.4282552364 0.01481697094
|
|
1796 63 1604.70183 -300.8627863 -300.8785697 0.0002505306156 0.3594443773 0.4623712699 0.01882971398
|
|
1797 63 1604.70183 -300.8708036 -300.8902517 0.0003087006866 0.2887628891 0.2758713346 0.015348335
|
|
1798 63 1604.70183 -300.8741648 -300.8946842 0.0003257047774 0.2854347619 0.2591136678 0.01544811934
|
|
1799 63 1604.70183 -300.8764676 -300.8986431 0.0003519920442 0.2699071332 0.1411599181 0.01224442487
|
|
1800 63 1604.70183 -300.8768874 -300.8991785 0.0003538265357 0.2774033302 0.1663823221 0.01208118548
|
|
# s_vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1801 62 1604.70183 -294.9385683 -294.8464567 0.001485670141 1.070426487 1.936865193 0.05832736336
|
|
1802 62 1604.70183 -295.0705782 -295.0536882 0.0002724198054 0.3624041614 0.08041896133 0.01963926036
|
|
1803 62 1604.70183 -295.0704293 -295.0537321 0.0002693099321 0.3620463001 0.07305595364 0.01964684254
|
|
1804 62 1604.70183 -295.0716759 -295.0540018 0.0002850655322 0.3582152084 0.04177577511 0.01975957494
|
|
1805 62 1604.70183 -295.0721706 -295.0539914 0.0002932129582 0.3575191311 0.04851777377 0.0198828349
|
|
1806 62 1604.70183 -295.0730857 -295.0539856 0.0003080664453 0.3525004676 0.02910152903 0.02030540824
|
|
1807 62 1604.70183 -295.0733378 -295.053941 0.0003128511795 0.3514460169 0.03746575669 0.02046967407
|
|
1808 62 1604.70183 -295.0738899 -295.053892 0.0003225470666 0.3521410904 0.0277012169 0.02039113108
|
|
1809 62 1604.70183 -295.0742257 -295.0538036 0.0003293891195 0.3528522531 0.03202675709 0.0203202678
|
|
1810 62 1604.70183 -295.0742842 -295.0537477 0.0003312333821 0.3585752922 0.02262651179 0.02016194721
|
|
1811 62 1604.70183 -295.0742797 -295.0537638 0.0003309004845 0.3578913432 0.01969124237 0.0201639346
|
|
1812 62 1604.70183 -295.0039716 -294.970757 0.0005357204805 0.588483367 0.805841392 0.02738146314
|
|
1813 62 1604.70183 -295.0168707 -294.9904052 0.0004268640653 0.4884776218 0.5736876726 0.02074884478
|
|
1814 62 1604.70183 -295.0277991 -295.005392 0.0003614046279 0.4135424974 0.4288010958 0.02026721394
|
|
1815 62 1604.70183 -295.0424207 -295.0199643 0.0003622001151 0.3512778184 0.4788589248 0.02591946034
|
|
1816 62 1604.70183 -295.0500146 -295.0334233 0.0002676017096 0.3197418822 0.3523211178 0.02273450206
|
|
1817 62 1604.70183 -295.0594535 -295.0457463 0.0002210826094 0.3810912578 0.364632667 0.02147135949
|
|
1818 62 1604.70183 -295.0666031 -295.0529039 0.0002209545043 0.3619881179 0.1424499642 0.02036414153
|
|
1819 62 1604.70183 -295.0678908 -295.0528367 0.000242806795 0.371273357 0.1613427988 0.02102055327
|
|
1820 62 1604.70183 -295.6995041 -295.7667974 0.001085376687 0.7718776505 1.241933429 0.05454121159
|
|
1821 62 1604.70183 -295.733087 -295.8428527 0.001770415429 0.4798311746 0.06042308731 0.02671878367
|
|
1822 62 1604.70183 -295.7329801 -295.8430049 0.001774594039 0.4878913252 0.06690064222 0.02662084527
|
|
1823 62 1604.70183 -295.7333145 -295.8432599 0.001773313175 0.4779135277 0.03776811079 0.02623670892
|
|
1824 62 1604.70183 -295.7333306 -295.8432638 0.001773114885 0.4771541964 0.04101536582 0.02619082297
|
|
1825 62 1604.70183 -295.7331776 -295.8433898 0.001777616595 0.4780591163 0.02632908316 0.02634369778
|
|
1826 62 1604.70183 -295.732997 -295.8434206 0.001781026452 0.4795050998 0.03543869754 0.02648807263
|
|
1827 62 1604.70183 -295.7325301 -295.8435125 0.00179003847 0.4810159225 0.02411023484 0.02637407109
|
|
1828 62 1604.70183 -295.7322751 -295.8435306 0.001794443786 0.4820591695 0.03077112026 0.02632112555
|
|
1829 62 1604.70183 -295.7318992 -295.8436004 0.001801632153 0.4806814579 0.01562662785 0.02645908945
|
|
1830 62 1604.70183 -295.7317727 -295.8436057 0.001803756998 0.4803517715 0.01708384052 0.02653112154
|
|
1831 62 1604.70183 -295.7198453 -295.8167845 0.001563536512 0.5702782055 0.4894330363 0.03355708777
|
|
1832 62 1604.70183 -295.7214065 -295.8230259 0.001639021218 0.5587419052 0.3758007258 0.02850077613
|
|
1833 62 1604.70183 -295.7256184 -295.8292232 0.001671044153 0.5228417758 0.2702858705 0.02738668964
|
|
1834 62 1604.70183 -295.7300066 -295.83394 0.001676344112 0.4899442968 0.3148796555 0.03022012438
|
|
1835 62 1604.70183 -295.7310707 -295.8386637 0.001735371325 0.4943681628 0.1730625895 0.02770489643
|
|
1836 62 1604.70183 -295.7302203 -295.8399442 0.001769741077 0.5200616762 0.1749793019 0.02582518841
|
|
1837 62 1604.70183 -295.7320332 -295.8416248 0.00176760572 0.4887794742 0.1010047833 0.02626277216
|
|
1838 62 1604.70183 -295.7328397 -295.8420227 0.001761016484 0.4720341106 0.1152879517 0.02696498176
|
|
1839 62 1604.70183 -294.9503176 -294.8382597 0.00180738598 1.162778457 2.058118771 0.06100981888
|
|
1840 62 1604.70183 -295.1100337 -295.0875434 0.0003627463297 0.4212661204 0.1272566374 0.02319987604
|
|
1841 62 1604.70183 -295.110917 -295.0877404 0.0003738154065 0.427766498 0.1535920653 0.02344718653
|
|
1842 62 1604.70183 -295.1137645 -295.0897485 0.000387354187 0.4089831454 0.0919085924 0.02334214118
|
|
1843 62 1604.70183 -295.1150225 -295.0902028 0.0004003180639 0.4047008548 0.1148826245 0.02340651135
|
|
1844 62 1604.70183 -295.1161077 -295.0912372 0.0004011369028 0.403464847 0.07476920569 0.02383037368
|
|
1845 62 1604.70183 -295.1161169 -295.091241 0.0004012234927 0.4034944091 0.07566021039 0.02384093953
|
|
1846 62 1604.70183 -295.1160879 -295.0919271 0.0003896901333 0.4061485448 0.05720549079 0.02345929956
|
|
1847 62 1604.70183 -295.1157846 -295.0923212 0.0003784422998 0.4124588093 0.08758261141 0.02320442386
|
|
1848 62 1604.70183 -295.1158543 -295.0928299 0.0003713621018 0.4122995555 0.05949483075 0.02320208454
|
|
1849 62 1604.70183 -295.1157515 -295.0932507 0.0003629162114 0.414448951 0.05423584132 0.0233362537
|
|
1850 62 1604.70183 -295.0249841 -294.981282 0.0007048723698 0.6928444803 0.9234967041 0.03133917843
|
|
1851 62 1604.70183 -295.1161256 -295.0935197 0.0003646116394 0.4122516273 0.03621646964 0.02343793875
|
|
1852 62 1604.70183 -295.1165406 -295.0937106 0.0003682258473 0.4103645234 0.04645181891 0.02366340269
|
|
1853 62 1604.70183 -295.1171254 -295.0938805 0.0003749170932 0.4058873933 0.03076074258 0.0235992141
|
|
1854 62 1604.70183 -295.1173472 -295.093914 0.0003779545489 0.4042779745 0.03399974318 0.02360602196
|
|
1855 62 1604.70183 -295.1174937 -295.0939969 0.0003789807092 0.4055330752 0.02214248645 0.02365115914
|
|
1856 62 1604.70183 -295.117599 -295.0940078 0.0003805029258 0.4071696485 0.03072664822 0.02374413115
|
|
1857 62 1604.70183 -295.1177133 -295.0940237 0.0003820896372 0.40777421 0.01965117363 0.02365736507
|
|
1858 62 1604.70183 -295.1177533 -295.0940064 0.0003830144895 0.4082616683 0.02250610148 0.0235808823
|
|
1859 62 1604.70183 -295.0413596 -295.0077715 0.0005417429196 0.5960706055 0.6723254144 0.02492811137
|
|
1860 62 1604.70183 -295.0567579 -295.0284846 0.0004560221107 0.5102767664 0.4990357282 0.02217867935
|
|
1861 62 1604.70183 -295.0748176 -295.0474413 0.0004415536376 0.4750931764 0.5617965412 0.02618008829
|
|
1862 62 1604.70183 -295.0872166 -295.0650615 0.0003573400344 0.4273416109 0.3763318358 0.02277362311
|
|
1863 62 1604.70183 -295.095891 -295.0746943 0.0003418821263 0.4733790243 0.4005004763 0.02318018701
|
|
1864 62 1604.70183 -295.1043742 -295.083709 0.0003333100309 0.4199726465 0.1971474907 0.02299193042
|
|
1865 62 1604.70183 -295.1061287 -295.0842832 0.0003523481036 0.4302909458 0.2301211223 0.02360391922
|
|
# vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1866 215 5415.868678 -1036.544852 -1036.518623 0.0001219973795 0.222588612 0.1455333724 0.003905330285
|
|
1867 215 5415.868678 -1036.551561 -1036.524675 0.0001250494578 0.1540475389 0.04865629092 0.003778815192
|
|
1868 215 5415.868678 -1036.545869 -1036.519724 0.0001216026072 0.2075115841 0.1182395714 0.003787452361
|
|
1869 215 5415.868678 -1036.547752 -1036.521456 0.0001223082918 0.1836555683 0.1204748543 0.003866246078
|
|
1870 215 5415.868678 -1036.548353 -1036.521815 0.0001234325949 0.1802387097 0.1537923189 0.004112114172
|
|
1871 215 5415.868678 -1036.54901 -1036.522616 0.0001227627559 0.1728669009 0.1181713349 0.00382215829
|
|
1872 215 5415.868678 -1036.550286 -1036.523741 0.0001234651394 0.1709897471 0.09590202083 0.004009770198
|
|
1873 215 5415.868678 -1036.550694 -1036.524159 0.0001234197838 0.1658062308 0.06651800554 0.003693812837
|
|
1874 215 5415.868678 -1036.551129 -1036.524443 0.0001241213104 0.1639044675 0.06506700127 0.003672321081
|
|
1875 215 5415.868678 -1036.551394 -1036.524643 0.0001244259594 0.1574004086 0.03789590619 0.003558060565
|
|
# vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1876 214 5415.868678 -1030.756602 -1030.827092 0.000329392429 0.3787503283 0.3690492999 0.01161147081
|
|
1877 214 5415.868678 -1030.757728 -1030.831236 0.0003434925475 0.3510788738 0.206246824 0.01115836417
|
|
1878 214 5415.868678 -1030.757389 -1030.832172 0.0003494544436 0.3483387265 0.1753841469 0.0115080525
|
|
1879 214 5415.868678 -1030.756441 -1030.833731 0.000361167419 0.3487464434 0.1305811393 0.01121590872
|
|
1880 214 5415.868678 -1030.752123 -1030.835231 0.000388352349 0.373918521 0.1712622619 0.01085578313
|
|
1881 214 5415.868678 -1030.753319 -1030.835309 0.0003831306624 0.3650058349 0.1384739781 0.01085079022
|
|
1882 214 5415.868678 -1030.751859 -1030.836422 0.0003951542511 0.3691588659 0.08661607918 0.0103828559
|
|
1883 214 5415.868678 -1031.318978 -1031.461821 0.0006674893808 0.7477258704 0.2826455022 0.01716047903
|
|
1884 214 5415.868678 -1031.324955 -1031.465067 0.0006547268399 0.6978459332 0.2065295166 0.01824016763
|
|
1885 214 5415.868678 -1031.333286 -1031.4678 0.0006285708685 0.6237946137 0.2160317144 0.02013225139
|
|
1886 214 5415.868678 -1031.333954 -1031.470432 0.0006377498343 0.6372421827 0.1228543654 0.01849922816
|
|
1887 214 5415.868678 -1031.333629 -1031.471654 0.0006449769186 0.6592371745 0.1258656337 0.01704078104
|
|
1888 214 5415.868678 -1031.335614 -1031.472689 0.0006405392488 0.6394463924 0.07554789307 0.0179063676
|
|
1889 214 5415.868678 -1031.337213 -1031.473011 0.0006345706346 0.6217508067 0.110225689 0.01895672233
|
|
1890 214 5415.868678 -1031.336859 -1031.4736 0.0006389777979 0.6303481137 0.07186162854 0.01847703125
|
|
1891 214 5415.868678 -1030.785806 -1030.838186 0.0002447633103 0.4569501242 0.4067819182 0.0123820735
|
|
1892 214 5415.868678 -1030.788573 -1030.843044 0.0002545381743 0.4221914487 0.2451309087 0.01194100274
|
|
1893 214 5415.868678 -1030.789643 -1030.844175 0.0002548240628 0.4119928889 0.2296418926 0.01281599085
|
|
1894 214 5415.868678 -1030.789796 -1030.846722 0.0002660104798 0.4096579126 0.1735900426 0.01227911728
|