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 -38.71425293 -38.72767843 0.001678187284 1.066111457e-13 0 1.667987218e-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 -19.3411939 -19.33946215 0.000432937901 0.06711077446 0.004696 0.01040792515
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3 4 87.78666244 -18.9750685 -18.99216114 0.00427316057 0.09218513312 0.015096 0.01790085321
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4 4 84.97085209 -18.74485338 -18.75980296 0.003737395097 0.1445523835 0.026416 0.02852753697
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5 4 82.52133779 -18.48336192 -18.49408247 0.002680136688 0.2044478342 0.036914 0.04029055713
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6 4 80.35345611 -18.19667513 -18.20222587 0.001387686036 0.2609903315 0.055734 0.0528250076
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7 4 78.40832856 -17.88702309 -17.88899513 0.0004930098158 0.3331476223 0.063452 0.06612341188
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8 4 76.64099144 -17.55847453 -17.55730043 0.0002935252758 0.4033106817 0.080334 0.08066510374
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9 4 75.04528905 -17.21835992 -17.2153404 0.0007548798392 0.5044813724 0.087346 0.09876144045
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10 4 73.54481067 -16.85564565 -16.85354169 0.0005259898208 0.6207864099 0.104282 0.1209253991
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11 4 95.10547773 -19.29849165 -19.30657301 0.002020340278 0.01107668894 0.007376 0.0006385367614
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12 4 91.0912603 -19.16490812 -19.18005062 0.003785625136 0.04261554151 0.009042 0.008629935785
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13 4 133.5525685 -17.87016647 -17.83772988 0.008109148038 0.0602345329 0.00984 0.01168961323
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14 4 103.4647206 -19.30816226 -19.30159325 0.001642253494 0.08325182527 0.004756 0.01308313896
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15 4 107.3699915 -19.20438932 -19.20780056 0.0008528092364 0.0505469262 0.000514 0.00834610983
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16 4 112.3942784 -19.04495799 -19.02621709 0.004685224515 0.0654161283 0.00049 0.0108362124
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17 4 119.5073443 -18.71164619 -18.68388388 0.006940578624 0.03148613476 0.005468 0.006170562926
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18 8 125 -24.90402368 -24.90732287 0.000412398292 2.692949506e-13 0 4.952751172e-14
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19 8 125.751501 -25.32593025 -25.33111609 0.0006482303655 1.414138706e-13 0 2.420748787e-14
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20 8 125 -34.1306756 -34.11351114 0.002145556982 4.496514809e-14 0 7.29334603e-15
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21 8 126.506008 -25.73866741 -25.74566406 0.0008745806943 3.166496982e-13 0 5.337397191e-14
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22 8 127.263527 -26.14241193 -26.1510292 0.001077158822 2.25916937e-13 0 3.701668601e-14
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23 8 128.024064 -26.53733415 -26.54747446 0.001267538501 2.715457545e-13 0 4.966397663e-14
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24 8 128.787625 -26.92359817 -26.93512423 0.001440757728 2.585761622e-13 0 4.18831636e-14
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25 8 129.554216 -27.30136192 -27.3140736 0.001588960401 2.356273068e-13 0 3.334369817e-14
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26 8 130.323843 -27.67077733 -27.68445805 0.001710089648 1.494003822e-13 0 2.439715097e-14
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27 8 131.096512 -28.03199051 -28.04644254 0.00180650425 1.681647453e-13 0 2.8384702e-14
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28 8 131.872229 -28.38514185 -28.400158 0.001877018173 1.449376493e-13 0 2.206568261e-14
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29 8 132.651 -28.73036631 -28.74572124 0.001919365899 2.396559834e-13 0 4.13928151e-14
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30 8 133.432831 -29.06779353 -29.0832711 0.001934696135 1.969315341e-13 0 3.385255039e-14
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31 8 132.651 -35.59602538 -35.60415475 0.001016170953 9.086509671e-14 0 1.617993753e-14
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32 8 134.217728 -29.39754809 -29.41294262 0.001924316514 3.978035532e-13 0 6.987003568e-14
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33 8 135.005697 -29.71974971 -29.73481243 0.001882839422 3.735881837e-13 0 5.552965495e-14
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34 8 135.796744 -30.03451353 -30.04902687 0.001814167823 1.665518084e-13 0 2.555363328e-14
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35 8 136.590875 -30.34195027 -30.35573414 0.001722983715 4.041105514e-13 0 6.352788665e-14
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36 8 137.388096 -30.64216657 -30.65504269 0.001609515566 2.926118893e-13 0 4.272970866e-14
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37 8 138.188413 -30.93526517 -30.94704781 0.001472829932 3.809888152e-13 0 6.795490097e-14
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38 8 138.991832 -31.22134524 -31.23186179 0.001314568581 8.327930842e-14 0 1.347995789e-14
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39 8 139.798359 -31.5005026 -31.50962505 0.001140306293 1.544161787e-13 0 2.619201152e-14
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40 8 140.608 -31.77283 -31.78044211 0.0009515132399 1.873298625e-13 0 2.986499936e-14
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41 8 141.420761 -32.03841742 -32.04448224 0.0007581020781 2.186006863e-13 0 3.635980406e-14
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42 8 140.608 -36.5577249 -36.57876366 0.00262984502 7.448696549e-14 0 1.172256329e-14
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43 8 142.236648 -32.29735231 -32.30180778 0.0005569336752 3.16912049e-13 0 5.381343519e-14
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44 8 143.055667 -32.54971988 -32.55240718 0.0003359128432 2.398029562e-13 0 3.858487603e-14
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45 8 143.877824 -32.79560337 -32.79646907 0.0001082130437 1.899687626e-13 0 3.117413735e-14
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46 8 144.703125 -33.03508432 -33.0341342 0.0001187648418 1.147169872e-13 0 1.989612179e-14
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47 8 145.531576 -33.26824285 -33.26546078 0.0003477581955 1.730885764e-13 0 2.742250871e-14
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48 8 146.363183 -33.49515788 -33.4905808 0.0005721351819 1.833678778e-13 0 2.862987625e-14
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49 8 147.197952 -33.71590744 -33.70959217 0.0007894088986 1.123146301e-13 0 1.892930257e-14
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50 8 148.035889 -33.93056886 -33.92253789 0.00100387177 1.540805577e-13 0 2.404558034e-14
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51 8 148.877 -34.13921905 -34.12960189 0.001202144963 1.483808815e-13 0 2.319440936e-14
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52 8 149.721291 -34.34193468 -34.3308093 0.001390672703 1.653977085e-13 0 2.567853337e-14
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53 8 148.877 -37.11336744 -37.12608044 0.00158912462 4.537236539e-14 0 6.891111068e-15
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54 8 150.568768 -34.53879244 -34.52629014 0.001562787535 4.103545152e-13 0 7.345513087e-14
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55 8 151.419437 -34.7298692 -34.71610965 0.001719943848 6.896746178e-14 0 1.19163938e-14
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56 8 152.273304 -34.91524222 -34.90038699 0.001856903269 7.243394855e-14 0 1.184700486e-14
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57 8 153.130375 -35.09498928 -35.07920914 0.001972517976 1.523983618e-13 0 2.507716257e-14
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58 8 153.990656 -35.26918889 -35.25266839 0.002065063028 2.095768212e-13 0 3.603598901e-14
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59 8 154.854153 -35.43792036 -35.42083938 0.002135122542 1.660983811e-13 0 2.764917924e-14
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60 8 155.720872 -35.60126393 -35.58377308 0.002186355813 1.092509099e-13 0 1.747676078e-14
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61 8 156.590819 -35.75930086 -35.74165769 0.002205395722 3.906892491e-13 0 6.234364876e-14
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62 8 157.464 -35.91211349 -35.89454795 0.00219569304 1.398424512e-13 0 2.349972069e-14
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63 8 158.340421 -36.05978531 -36.04247856 0.002163344002 3.275181444e-13 0 5.200007092e-14
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64 8 157.464 -37.32735599 -37.32262953 0.0005908076269 4.487868713e-14 0 5.792759698e-15
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65 8 159.220088 -36.20240092 -36.18557035 0.002103821034 1.428926043e-13 0 2.404095441e-14
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66 8 160.103007 -36.34004605 -36.32389911 0.00201836778 5.381181253e-14 0 8.567221007e-15
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67 8 160.989184 -36.47280755 -36.45752485 0.001910337085 1.283029756e-13 0 2.102947446e-14
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68 8 161.878625 -36.60077327 -36.58655803 0.001776904409 1.035992169e-13 0 1.857773195e-14
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69 8 162.771336 -36.72403201 -36.71102998 0.001625254084 1.570714092e-13 0 2.745026428e-14
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70 8 163.667323 -36.84267342 -36.83107858 0.00144935471 3.049632702e-13 0 4.841960166e-14
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71 8 164.566592 -36.95678779 -36.94671248 0.001259413665 1.925130886e-13 0 3.190503417e-14
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72 8 165.469149 -37.06646595 -37.05803876 0.001053398328 1.397374239e-13 0 2.155451743e-14
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73 8 166.375 -37.17179902 -37.16514204 0.0008321228407 5.713605073e-14 0 8.835524904e-15
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74 8 167.284151 -37.27287824 -37.26803657 0.0006052093045 1.40414774e-13 0 2.221833828e-14
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75 8 166.375 -37.24337398 -37.23643929 0.0008668364205 1.44491888e-13 0 1.830181928e-14
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76 8 168.196608 -37.36979469 -37.36679872 0.0003744961147 3.328561018e-13 0 5.50485583e-14
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77 8 169.112377 -37.46263902 -37.46157771 0.0001326636643 2.061058552e-13 0 3.554564051e-14
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78 8 170.031464 -37.5515012 -37.55237754 0.0001095422791 1.002915377e-13 0 1.615143204e-14
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79 8 170.953875 -37.63647021 -37.6392704 0.0003500241662 7.183220187e-14 0 1.137516007e-14
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80 8 171.879616 -37.7176337 -37.72232209 0.0005860490342 1.173894303e-13 0 2.015979976e-14
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81 8 172.808693 -37.79507771 -37.80157766 0.0008124934501 2.454864915e-13 0 4.256780114e-14
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82 8 173.741112 -37.86888634 -37.87745843 0.001071511409 7.266441502e-14 0 1.167121955e-14
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83 8 174.676879 -37.93914139 -37.94934999 0.001276074617 4.974446532e-14 0 8.477015386e-15
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84 8 175.616 -38.0059221 -38.01765923 0.001467140655 3.03485947e-13 0 4.526934383e-14
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85 8 176.558481 -38.06930481 -38.08244214 0.001642165773 1.381723403e-13 0 2.354829295e-14
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86 8 175.616 -36.91159282 -36.92303918 0.001430795163 1.228009819e-13 0 2.108791784e-14
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87 8 177.504328 -38.12936269 -38.14373382 0.001796391493 1.706322676e-13 0 3.138230416e-14
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88 8 178.453547 -38.18616547 -38.20162048 0.001931876576 7.833697394e-14 0 1.338975227e-14
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89 8 179.406144 -38.23977924 -38.25614712 0.002045984715 2.466758978e-13 0 4.397177067e-14
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90 8 180.362125 -38.29026627 -38.30736293 0.002137081936 8.531471612e-14 0 1.512447575e-14
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91 8 181.321496 -38.33768487 -38.35533434 0.002206183965 2.29078183e-13 0 3.671253116e-14
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92 8 182.284263 -38.3820893 -38.40014053 0.002256403844 8.887056625e-14 0 1.521121192e-14
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93 8 183.250432 -38.42352981 -38.44178079 0.002281372556 6.284866908e-14 0 1.18897947e-14
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94 8 184.220009 -38.46205268 -38.48039501 0.00229279182 1.583116745e-13 0 2.369747916e-14
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95 8 185.193 -38.49770035 -38.51595497 0.002281827022 1.610975882e-13 0 2.636317091e-14
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96 8 186.169411 -38.53051171 -38.54855587 0.002255519694 7.05914927e-14 0 1.14191064e-14
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97 8 185.193 -36.40728185 -36.42582461 0.002317845422 1.015472934e-13 0 1.291839423e-14
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98 8 187.149248 -38.56052235 -38.57822204 0.002212461723 3.706638493e-13 0 5.499998605e-14
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99 8 188.132517 -38.58776498 -38.60507996 0.002164372461 2.473795933e-13 0 4.078334892e-14
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100 8 189.119224 -38.61226996 -38.62911702 0.00210588285 9.392621608e-14 0 1.648160775e-14
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101 8 190.109375 -38.6340658 -38.65037737 0.002038946132 5.568672596e-14 0 9.40220124e-15
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102 8 191.102976 -38.65317985 -38.66895988 0.001972503996 1.699563669e-13 0 2.707093808e-14
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103 8 192.100033 -38.66963893 -38.68491445 0.001909440172 4.320969579e-14 0 7.612833974e-15
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104 8 193.100552 -38.68347008 -38.69826028 0.001848775421 8.431176243e-14 0 1.494290802e-14
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105 8 194.104539 -38.69470124 -38.70903762 0.001792047333 8.318903137e-14 0 1.420883087e-14
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106 8 195.112 -38.70336197 -38.71735037 0.001748550287 7.746004086e-14 0 1.233460672e-14
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107 8 196.122941 -38.70948401 -38.72316577 0.001710220279 7.566447871e-14 0 1.272766614e-14
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108 8 195.112 -35.7778746 -35.78277343 0.0006123532562 5.300226811e-14 0 7.26672702e-15
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109 8 197.137368 -38.71310182 -38.72661844 0.001689577224 4.885802375e-14 0 8.115903782e-15
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110 8 198.155287 -38.71425293 -38.72767843 0.001678187284 1.066111457e-13 0 1.667987218e-14
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111 8 199.176704 -38.71297808 -38.72640441 0.001678291127 1.330375741e-13 0 2.185339583e-14
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112 8 200.201625 -38.70932119 -38.72284809 0.001690862747 7.432540271e-14 0 1.284313367e-14
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113 8 201.230056 -38.70332907 -38.71708504 0.001719496475 5.404859896e-14 0 8.817617498e-15
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114 8 202.262003 -38.69505094 -38.70909826 0.001755914474 8.306107237e-14 0 1.323375365e-14
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115 8 203.297472 -38.68453778 -38.69896441 0.001803328414 7.933283611e-14 0 1.159331059e-14
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116 8 204.336469 -38.67184153 -38.68669915 0.001857202806 7.963249004e-14 0 1.216572416e-14
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117 8 205.379 -38.65701432 -38.67236985 0.00191944076 7.267431185e-14 0 1.267137346e-14
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118 8 206.425071 -38.64010784 -38.65601166 0.001987977963 3.46135928e-14 0 5.16146585e-15
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119 8 205.379 -35.04117853 -35.02683676 0.001792721511 6.264101331e-14 0 8.945129953e-15
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120 8 207.474688 -38.62117275 -38.63763952 0.002058346412 6.741287537e-14 0 1.103756239e-14
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121 8 208.527857 -38.60025849 -38.61729887 0.002130047343 4.516487424e-14 0 6.963348945e-15
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122 8 209.584584 -38.57741318 -38.59504202 0.002203605551 7.150221415e-14 0 1.222883547e-14
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123 8 210.644875 -38.55268367 -38.57091757 0.002279238077 7.494208647e-14 0 1.282428465e-14
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124 8 211.708736 -38.52611569 -38.54483207 0.002339547922 4.285995482e-14 0 7.173707716e-15
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125 8 212.776173 -38.49775391 -38.51692278 0.00239610879 1.636379409e-13 0 3.078334444e-14
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126 8 213.847192 -38.46764199 -38.48723722 0.002449404215 3.511645269e-14 0 6.018957044e-15
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127 8 214.921799 -38.43582256 -38.45580608 0.002497940223 9.404887894e-14 0 1.443250765e-14
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128 8 216 -38.40233726 -38.422684 0.002543342907 5.551063873e-17 0 4.625971877e-18
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129 8 217.081801 -38.3672267 -38.38786893 0.002580278756 8.589197643e-14 0 1.343312036e-14
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130 8 216 -34.21158075 -34.18453509 0.003380707835 2.286642335e-14 0 3.089699937e-15
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131 8 218.167208 -38.33053049 -38.35142959 0.002612387518 1.47522908e-16 0 1.792547592e-17
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132 8 219.256227 -38.29228721 -38.31340288 0.002639458854 5.04694141e-14 0 7.849045488e-15
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133 8 220.348864 -38.25253442 -38.27379064 0.002657027752 5.734352301e-14 0 1.048119924e-14
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134 8 221.445125 -38.21130865 -38.2326318 0.002665393701 5.31941816e-14 0 8.664365521e-15
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135 8 222.545016 -38.16864541 -38.18997547 0.002666257336 2.733192649e-13 0 4.57620053e-14
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136 8 223.648543 -38.12457917 -38.14582587 0.002655837065 1.074968821e-16 0 1.503427013e-17
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137 8 224.755712 -38.07914337 -38.10025273 0.002638669383 1.8722492e-13 0 3.231789836e-14
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138 8 225.866529 -38.03237042 -38.05325723 0.002610851621 4.324730399e-13 0 6.640752763e-14
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139 8 226.981 -37.98429166 -38.00487503 0.002572920853 6.06811727e-14 0 1.0039423e-14
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140 8 228.099131 -37.93493744 -37.95513783 0.002525048931 3.809654722e-14 0 6.80242899e-15
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141 8 226.981 -33.30623354 -33.27865849 0.003446881315 4.272641741e-14 0 5.884601672e-15
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142 8 229.220928 -37.88433703 -37.90408137 0.002468042396 8.806461435e-14 0 1.51406665e-14
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143 8 230.346397 -37.83251869 -37.85171281 0.002399264713 2.61836456e-14 0 4.896546132e-15
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144 8 231.475544 -37.77950964 -37.79810848 0.002324854579 5.60414215e-14 0 9.172061259e-15
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145 8 232.608375 -37.72533608 -37.74324741 0.002238916513 2.896053256e-14 0 4.865321109e-15
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146 8 233.744896 -37.67002317 -37.68719388 0.002146338721 6.798699778e-17 0 6.938893904e-18
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147 8 234.885113 -37.61359508 -37.62994505 0.002043745679 5.952220401e-14 0 9.98102064e-15
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148 8 236.029032 -37.55607499 -37.57155158 0.001934574188 3.399349889e-17 0 3.469446952e-18
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149 8 237.176659 -37.49748506 -37.51201295 0.001815986617 4.445212278e-14 0 7.668056005e-15
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150 8 238.328 -37.43784651 -37.45137883 0.001691540036 8.205788538e-14 0 1.380666415e-14
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151 8 239.483061 -37.37717961 -37.38964471 0.001558137498 9.554987116e-14 0 1.67001829e-14
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152 8 238.328 -32.34565353 -32.32877917 0.002109295508 3.604517582e-14 0 4.699986853e-15
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153 8 240.641848 -37.3155037 -37.32690218 0.001424810163 5.383634999e-14 0 9.80176588e-15
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154 8 241.804367 -37.25283722 -37.26310398 0.001283345261 1.507513627e-16 0 1.503427013e-17
|
|
155 8 242.970624 -37.18919774 -37.19829938 0.001137704855 2.008407912e-14 0 3.218490289e-15
|
|
156 8 244.140625 -37.12460201 -37.13249287 0.0009863578956 2.039609933e-16 0 2.081668171e-17
|
|
157 8 245.314376 -37.05906596 -37.06573351 0.0008334442846 8.822492066e-14 0 1.422241954e-14
|
|
158 8 246.491883 -36.99260477 -36.99800673 0.0006752446805 1.952777839e-16 0 1.734723476e-17
|
|
159 8 247.673152 -36.92523293 -36.92936808 0.0005168935324 2.365204612e-14 0 3.829691194e-15
|
|
160 8 248.858189 -36.85696425 -36.85984394 0.0003599615825 3.01221852e-14 0 4.743890466e-15
|
|
161 8 250.047 -36.78781193 -36.78941041 0.0001998103127 3.551782498e-14 0 5.252164444e-15
|
|
162 8 251.239591 -36.71778863 -36.7181241 4.193333948e-05 4.036027428e-14 0 6.503478311e-15
|
|
163 8 250.047 -31.3510839 -31.3503623 9.019959863e-05 2.126532036e-14 0 3.18579397e-15
|
|
164 8 252.435968 -36.64690654 -36.64599517 0.0001139215017 8.598239322e-14 0 1.51504966e-14
|
|
165 8 253.636137 -36.57517742 -36.57305178 0.00026570438 3.177932201e-14 0 5.203013946e-15
|
|
166 8 254.840104 -36.50261267 -36.49930427 0.0004135499966 3.409691946e-13 0 5.574938659e-14
|
|
167 8 256.047875 -36.42922346 -36.42477099 0.0005565584011 6.167779437e-14 0 9.993452825e-15
|
|
168 8 257.259456 -36.35502074 -36.34947486 0.0006932350841 4.719269379e-14 0 6.953060812e-15
|
|
169 8 258.474853 -36.28001538 -36.27344512 0.0008212828125 5.962956069e-14 0 9.922618283e-15
|
|
170 8 259.694072 -36.20421823 -36.19668091 0.0009421651787 1.543007162e-13 0 2.90155631e-14
|
|
171 8 260.917119 -36.12764021 -36.11922297 0.001052155579 4.853066663e-14 0 9.245497886e-15
|
|
172 8 262.144 -36.05029243 -36.04105252 0.00115498905 4.186128071e-14 0 6.71251249e-15
|
|
173 8 263.374721 -35.97218626 -35.96224375 0.00124281317 1.66338892e-14 0 2.257164363e-15
|
|
174 8 262.144 -30.34108001 -30.35511573 0.001754464501 2.272433605e-14 0 3.109352595e-15
|
|
175 8 264.609288 -35.89333342 -35.88278096 0.001319057941 2.116355361e-14 0 3.625572065e-15
|
|
176 8 265.847707 -35.81374615 -35.80269997 0.001380772062 7.942459501e-14 0 1.275975853e-14
|
|
177 8 267.089984 -35.7334372 -35.72200298 0.001429277991 2.942639775e-14 0 5.513240327e-15
|
|
178 8 268.336125 -35.65242005 -35.6407125 0.001463443205 3.623585603e-14 0 5.686134434e-15
|
|
179 8 269.586136 -35.57070889 -35.55886015 0.001481092472 2.078148717e-13 0 3.135628331e-14
|
|
180 8 270.840023 -35.48831882 -35.47646305 0.001481971043 3.436593249e-14 0 6.077892819e-15
|
|
181 8 272.097792 -35.40526587 -35.3935225 0.00146792105 1.857030029e-14 0 3.276892646e-15
|
|
182 8 273.359449 -35.32156712 -35.31009264 0.0014343097 6.379851835e-14 0 1.011791923e-14
|
|
183 8 274.625 -35.23724076 -35.22614866 0.001386512788 2.766870349e-16 0 2.370788751e-17
|
|
184 8 275.894451 -35.15230619 -35.1417472 0.001319873319 2.31008404e-13 0 3.507813253e-14
|
|
185 8 274.625 -29.33006601 -29.35393013 0.002983014623 1.588675224e-14 0 2.34089319e-15
|
|
186 8 277.167808 -35.06678402 -35.05687287 0.001238893708 9.209742182e-15 0 1.207367539e-15
|
|
187 8 278.445077 -34.98069618 -34.9715572 0.001142372564 2.123202324e-14 0 3.352063997e-15
|
|
188 8 279.726264 -34.89406591 -34.8858121 0.001031725752 9.98500047e-14 0 1.592736359e-14
|
|
189 8 281.011375 -34.80691776 -34.799632 0.0009107201691 1.696214673e-14 0 2.835260961e-15
|
|
190 8 282.300416 -34.71927763 -34.71307221 0.0007756774032 2.731996947e-14 0 4.417111931e-15
|
|
191 8 283.593393 -34.63117268 -34.62612209 0.0006313231931 6.947562107e-17 0 7.083454194e-18
|
|
192 8 284.890312 -34.54263129 -34.53878034 0.000481368564 3.156317967e-14 0 5.787615757e-15
|
|
193 8 286.191179 -34.45368299 -34.45107583 0.0003258948033 3.035521125e-14 0 4.961525982e-15
|
|
194 8 287.496 -34.36435831 -34.36303293 0.0001656719046 2.005307212e-14 0 3.13428392e-15
|
|
195 8 288.804781 -34.27468862 -34.27464647 5.268915118e-06 2.211492124e-14 0 3.596515447e-15
|
|
196 8 287.496 -28.33047483 -28.35738967 0.003364354426 2.637681867e-14 0 3.756294602e-15
|
|
197 8 290.117528 -34.18470598 -34.18592693 0.0001526191604 1.325776282e-14 0 2.33045643e-15
|
|
198 8 291.434247 -34.09444284 -34.09689499 0.0003065193677 2.304883979e-12 0 2.562336555e-13
|
|
199 8 292.754944 -34.00393181 -34.00755617 0.0004530452213 3.558643672e-14 0 6.733401452e-15
|
|
200 8 294.079625 -33.91320534 -33.91794704 0.0005927126276 3.617713263e-14 0 5.895421593e-15
|
|
201 8 295.408296 -33.82229534 -33.82804203 0.0007183360785 7.131766316e-15 0 1.242098149e-15
|
|
202 8 296.740963 -33.7312328 -33.73788122 0.0008310524668 5.769684299e-14 0 9.690888138e-15
|
|
203 8 298.077632 -33.64004733 -33.64736294 0.0009144509823 4.081728773e-14 0 5.773376568e-15
|
|
204 8 299.418309 -33.54876671 -33.55659435 0.0009784547991 2.573628807e-14 0 4.540150807e-15
|
|
205 8 300.763 -33.45741637 -33.46561093 0.001024320017 2.207232376e-14 0 3.848773152e-15
|
|
206 8 302.111711 -33.36601887 -33.3743829 0.001045503305 4.270282903e-14 0 7.225412398e-15
|
|
207 8 300.763 -27.35586815 -27.37270755 0.00210492454 1.692935457e-14 0 3.127040981e-15
|
|
208 8 303.464448 -33.2745934 -33.28297289 0.0010474368 2.479290208e-14 0 3.836630088e-15
|
|
209 8 304.821217 -33.18315519 -33.19133336 0.001022271042 2.330229206e-15 0 3.476042515e-16
|
|
210 8 306.182024 -33.0917151 -33.09950342 0.0009735399662 2.386885572e-14 0 3.419456197e-15
|
|
211 8 307.546875 -33.00027909 -33.00751748 0.0009047991937 8.046536862e-16 0 1.100103804e-16
|
|
212 8 308.915776 -32.90884785 -32.91533251 0.0008105821364 4.31393871e-14 0 6.390703215e-15
|
|
213 8 310.288733 -32.81741654 -32.82301548 0.0006998669097 2.750239081e-14 0 4.053669293e-15
|
|
214 8 311.665752 -32.72597458 -32.73053126 0.0005695855103 3.197370425e-14 0 5.459396137e-15
|
|
215 8 313.046839 -32.63450561 -32.63790296 0.0004246691727 1.800155396e-14 0 2.671641301e-15
|
|
216 8 314.432 -32.5429877 -32.54515815 0.0002713064075 2.214545265e-14 0 3.487372428e-15
|
|
217 8 315.821241 -32.45139367 -32.45227645 0.0001103469048 1.326471441e-14 0 2.195999549e-15
|
|
218 8 314.432 -26.41476241 -26.40530829 0.001181765472 5.011525826e-15 0 7.239653304e-16
|
|
219 8 317.214568 -32.3596917 -32.35928901 5.033595741e-05 1.571255773e-15 0 1.933132474e-16
|
|
220 8 318.611987 -32.26784608 -32.26618801 0.0002072587466 2.653999371e-14 0 4.430556038e-15
|
|
221 8 320.013504 -32.17581832 -32.17302023 0.0003497607803 1.772015996e-14 0 2.731442392e-15
|
|
222 8 321.419125 -32.08356831 -32.07976201 0.0004757880486 2.45922355e-14 0 4.403236966e-15
|
|
223 8 322.828856 -31.99105578 -31.98643212 0.0005779574919 1.729429355e-14 0 3.001841849e-15
|
|
224 8 324.242703 -31.89824168 -31.89303281 0.0006511090923 2.051948747e-14 0 3.082345413e-15
|
|
225 8 325.660672 -31.80508971 -31.7995724 0.0006896640153 1.933857092e-14 0 3.295252509e-15
|
|
226 8 327.082769 -31.71156761 -31.70606552 0.0006877608565 1.83742112e-14 0 2.87262549e-15
|
|
227 8 328.509 -31.61764824 -31.61253519 0.0006391308965 1.735859184e-14 0 2.712828596e-15
|
|
228 8 329.939371 -31.52331032 -31.51893479 0.0005469415353 9.30246496e-16 0 1.232679813e-16
|
|
229 8 328.509 -25.49085569 -25.46097964 0.003734505787 1.041059858e-14 0 1.868474209e-15
|
|
230 8 331.373888 -31.4285387 -31.4253319 0.0004008494304 2.083477564e-14 0 2.711179872e-15
|
|
231 8 332.812557 -31.33332408 -31.33169244 0.0002039551674 2.381651892e-14 0 3.528318887e-15
|
|
232 8 334.255384 -31.23766242 -31.23803137 4.611827854e-05 1.837089913e-14 0 3.129252262e-15
|
|
233 8 335.702375 -31.14155388 -31.14436083 0.000350868433 1.657694532e-14 0 2.61720079e-15
|
|
234 8 337.153536 -31.04500168 -31.05068709 0.0007106757995 1.793670724e-14 0 3.178643462e-15
|
|
235 8 338.608873 -30.94801103 -30.95700452 0.001124186367 1.94063332e-14 0 2.758473061e-15
|
|
236 8 340.068392 -30.85058823 -30.86332188 0.001591705704 1.884303608e-15 0 2.424639737e-16
|
|
237 8 341.532099 -30.75274017 -30.7696645 0.002115541522 2.018995654e-14 0 3.22201565e-15
|
|
238 8 85.184 -6.917817151 -6.89948088 0.002292033859 9.727328218e-13 0 1.623307786e-13
|
|
239 8 91.125 -14.43696825 -14.49028692 0.006664833855 1.228791664e-13 0 1.980993204e-14
|
|
240 8 97.336 -20.6147222 -20.57465163 0.005008821647 1.267502578e-13 0 1.952893646e-14
|
|
241 8 103.823 -25.39404542 -25.39183412 0.0002764122104 1.385533302e-13 0 2.289928134e-14
|
|
242 8 106.496424 -10.11137727 -10.10117778 0.001274936309 2.476313267e-13 0 3.982144475e-14
|
|
243 8 107.171875 -10.82724497 -10.82503199 0.0002766219392 2.591036217e-13 0 4.414148445e-14
|
|
244 8 107.850176 -11.53159223 -11.53495144 0.0004199011833 3.535734942e-13 0 5.605701089e-14
|
|
245 8 108.531333 -12.22433859 -12.23116604 0.0008534314568 5.132955934e-13 0 8.538858278e-14
|
|
246 8 109.215352 -12.90538847 -12.91385694 0.001058559274 3.591078053e-13 0 6.021687778e-14
|
|
247 8 109.902239 -13.57463581 -13.58325688 0.001077633911 5.139089179e-13 0 8.226405668e-14
|
|
248 8 110.592 -14.23196982 -14.23951689 0.0009433836431 7.115883176e-13 0 1.136388437e-13
|
|
249 8 111.284641 -14.87728177 -14.88293767 0.0007069870491 4.165048243e-13 0 6.508971602e-14
|
|
250 8 110.592 -29.12285295 -29.14301897 0.002520752619 5.564677676e-13 0 9.61079402e-14
|
|
251 8 111.980168 -15.51047272 -15.51365959 0.0003983584106 2.274988739e-13 0 3.485406408e-14
|
|
252 8 112.678587 -16.13146182 -16.13191396 5.651729989e-05 4.498362255e-13 0 7.65857285e-14
|
|
253 8 113.379904 -16.74019475 -16.7378373 0.0002946807625 3.189137871e-13 0 5.459695196e-14
|
|
254 8 114.084125 -17.33665155 -17.33167358 0.0006222461975 4.983852481e-13 0 8.705883237e-14
|
|
255 8 114.791256 -17.92085309 -17.91364266 0.0009013039104 2.709882517e-13 0 4.496056305e-14
|
|
256 8 115.501303 -18.49286508 -18.48381583 0.001131156409 4.514550154e-13 0 7.738196658e-14
|
|
257 8 116.214272 -19.05279884 -19.04244391 0.00129436676 2.970741256e-13 0 5.082161543e-14
|
|
258 8 116.930169 -19.60080822 -19.58971605 0.001386521222 4.453170085e-13 0 7.484001844e-14
|
|
259 8 117.649 -20.13708265 -20.12573781 0.001418105252 4.278523804e-13 0 7.182911673e-14
|
|
260 8 118.370771 -20.6618374 -20.6507896 0.001380975369 2.866375719e-13 0 4.858208743e-14
|
|
261 8 117.649 -32.02301216 -32.00130598 0.002713271982 2.929707482e-14 0 3.70450496e-15
|
|
262 8 119.095488 -21.17530272 -21.16497388 0.001291105005 1.793076925e-13 0 2.768098251e-14
|
|
263 8 119.823157 -21.67771418 -21.66845698 0.001157150165 3.452167847e-13 0 5.245861615e-14
|
|
264 8 120.553784 -22.16930592 -22.16144572 0.0009825254333 4.200187325e-13 0 7.309546487e-14
|
|
265 8 121.287375 -22.65030709 -22.64405994 0.0007808943403 2.392678657e-13 0 4.123437702e-14
|
|
266 8 122.023936 -23.12094057 -23.1164565 0.0005605084925 5.463788117e-13 0 8.613191179e-14
|
|
267 8 122.763473 -23.58142263 -23.5788357 0.0003233667492 3.264755071e-13 0 5.875855358e-14
|
|
268 8 123.505992 -24.03196295 -24.0313324 7.881813661e-05 3.089417116e-13 0 5.113502214e-14
|
|
269 8 124.251499 -24.47276451 -24.47411204 0.0001684418325 2.086670756e-13 0 3.479970941e-14
|
|
# Shear.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
270 8 200.201625 -17.79471429 -17.80095971 0.000780676998 34.93477521 34.86621731 0.03190914063
|
|
271 8 200.201625 -18.68131023 -18.68039145 0.000114847841 31.08996178 31.10971303 0.003740494634
|
|
272 8 200.201625 -18.74685752 -18.74847294 0.0002019271788 30.88282142 30.87108939 0.003456478837
|
|
273 8 200.201625 -18.65917042 -18.66050137 0.0001663689648 31.37020992 31.34839688 0.009203504359
|
|
274 8 200.201625 -17.73748574 -17.72226746 0.001902285438 35.40937173 35.4991231 0.01420837172
|
|
275 8 200.201625 -18.610003 -18.61280191 0.0003498640165 31.47877009 31.47627702 0.002761248557
|
|
276 8 200.201625 -18.77766109 -18.77926611 0.0002006278251 30.77405825 30.75201265 0.004214606679
|
|
277 8 200.201625 -18.79982672 -18.80113601 0.0001636608338 30.743921 30.70416935 0.006517923228
|
|
278 8 200.201625 -18.58554414 -18.58622087 8.459156242e-05 31.52253348 31.5380751 0.004536988386
|
|
279 8 200.201625 -18.78245891 -18.78332932 0.0001088014683 30.69358104 30.68923945 0.002368530986
|
|
280 8 200.201625 -18.40542282 -18.40404938 0.0001716805235 32.51640923 32.52382115 0.008548277568
|
|
281 8 200.201625 -18.74365964 -18.74540916 0.0002186901769 30.94868239 30.92452189 0.006196138967
|
|
282 8 200.201625 -18.73341031 -18.73534983 0.0002424404561 31.00440841 30.97910612 0.007054536992
|
|
283 8 200.201625 -18.81192341 -18.8134127 0.0001861617079 30.70469488 30.65993833 0.005915631407
|
|
284 8 200.201625 -18.41561899 -18.41797991 0.0002951147155 32.38543522 32.38768122 0.003707460316
|
|
285 8 200.201625 -18.5317211 -18.53413003 0.0003011163041 31.8767818 31.87155042 0.005322793137
|
|
286 8 200.201625 -18.66871033 -18.66826987 5.505770729e-05 31.15085834 31.16861455 0.003446438448
|
|
287 8 200.201625 -18.60630673 -18.60668646 4.746582857e-05 31.63811981 31.62081008 0.01069507317
|
|
288 8 200.201625 -18.78703588 -18.78856529 0.0001911757436 30.74769271 30.72095906 0.004614612028
|
|
289 8 200.201625 -18.75601808 -18.75078927 0.00065360096 30.72887958 30.76438387 0.005059010188
|
|
290 8 200.201625 -17.7129675 -17.6965478 0.002052462316 35.51566886 35.60991003 0.01466783463
|
|
291 8 200.201625 -18.80600947 -18.80734294 0.0001666837627 30.6992936 30.66240229 0.005083869439
|
|
292 8 200.201625 -18.44027679 -18.44403239 0.0004694495274 32.20593729 32.21047876 0.003008115695
|
|
293 8 200.201625 -18.76046874 -18.75459744 0.0007339122908 30.70667609 30.74413719 0.005271205743
|
|
294 8 200.201625 -18.79472302 -18.79627044 0.0001934276006 30.74356896 30.70910318 0.005839215353
|
|
295 8 200.201625 -18.60047878 -18.60324612 0.0003459175386 31.52369649 31.52149145 0.002816055441
|
|
296 8 200.201625 -18.77639315 -18.77797969 0.000198317228 30.79719196 30.77105182 0.005169909106
|
|
297 8 200.201625 -17.9934094 -17.98503897 0.001046303772 34.31095944 34.36653327 0.01164142146
|
|
298 8 200.201625 -18.37173159 -18.37037378 0.000169726467 32.43823789 32.44728299 0.01375907849
|
|
299 8 200.201625 -17.92082402 -17.92840077 0.000947094287 34.42098575 34.39992976 0.01884648792
|
|
300 8 200.201625 -18.71139478 -18.70860148 0.000349162986 30.94162077 30.96851628 0.004753733931
|
|
301 8 200.201625 -18.61740104 -18.62007006 0.0003336280148 31.44098398 31.4396675 0.002580469146
|
|
302 8 200.201625 -18.79038124 -18.79181491 0.0001792088566 30.77171805 30.73621055 0.00650554252
|
|
303 8 200.201625 -17.48896212 -17.46686581 0.002762039359 36.45188656 36.57228469 0.01586700396
|
|
304 8 200.201625 -18.3155742 -18.31273123 0.0003553717886 32.91518503 32.93362227 0.008955186133
|
|
305 8 200.201625 -18.68575503 -18.68749049 0.0002169321122 31.22425654 31.20308311 0.007750116932
|
|
306 8 200.201625 -18.78061262 -18.78234842 0.0002169750351 30.7847707 30.75647741 0.005536338288
|
|
307 8 200.201625 -18.60943939 -18.61129142 0.0002315039113 31.55614966 31.54266348 0.007129815247
|
|
308 8 200.201625 -18.53119211 -18.52820447 0.0003734555139 31.73391903 31.75743244 0.01012165258
|
|
309 8 200.201625 -18.7738724 -18.77505826 0.0001482329912 30.7411302 30.73398918 0.002732781337
|
|
310 8 200.201625 -18.58067063 -18.57500616 0.0007080588715 31.50538645 31.53640779 0.0106653697
|
|
311 8 200.201625 -18.55145765 -18.55015461 0.0001628799182 31.65380474 31.67509141 0.007981447138
|
|
312 8 200.201625 -18.37653333 -18.37420108 0.0002915313536 32.65950337 32.67186311 0.008985768418
|
|
313 8 200.201625 -18.71583881 -18.7179035 0.0002580856638 31.03272264 31.01949294 0.00420763152
|
|
314 8 200.201625 -18.58381547 -18.58658856 0.0003466368434 31.60629121 31.60336662 0.003039979339
|
|
315 8 200.201625 -18.77610861 -18.77718203 0.0001341777735 30.72282421 30.71814784 0.00242551007
|
|
316 8 200.201625 -18.7579646 -18.75225185 0.0007140940467 30.71865624 30.75561682 0.005165023518
|
|
317 8 200.201625 -18.77335693 -18.77487112 0.0001892731906 30.77404431 30.75754523 0.003733439372
|
|
318 8 200.201625 -18.7240581 -18.71489311 0.001145623692 30.85621668 30.90256808 0.008301575133
|
|
319 8 200.201625 -18.70631787 -18.70510716 0.0001513392728 30.97998669 30.99982205 0.003063329279
|
|
320 8 200.201625 -18.8118367 -18.81319946 0.000170345152 30.70731407 30.662448 0.006095532199
|
|
321 8 200.201625 -18.718788 -18.72005006 0.00015775701 31.12952988 31.09704221 0.01002244723
|
|
322 8 200.201625 -18.79162102 -18.79330401 0.0002103743358 30.69661757 30.67688332 0.003966582586
|
|
323 8 200.201625 -18.52725227 -18.52778204 6.622159441e-05 31.96417252 31.95690629 0.009161930589
|
|
324 8 200.201625 -18.6688939 -18.67017106 0.0001596455592 31.33112272 31.30774889 0.009375926019
|
|
325 8 200.201625 -18.3153962 -18.31454982 0.0001057973448 32.68571784 32.68887063 0.01515603374
|
|
326 8 200.201625 -18.25492647 -18.25209125 0.0003544028017 33.16939425 33.19261114 0.008783522234
|
|
327 8 200.201625 -18.2641346 -18.26131527 0.0003524158559 33.13205667 33.15470979 0.008909186979
|
|
328 8 200.201625 -18.24007523 -18.23576264 0.0005390732084 33.25275952 33.28122576 0.01027392402
|
|
329 8 200.201625 -18.57665965 -18.57834149 0.0002102297531 31.57566569 31.58679659 0.00307899856
|
|
330 8 200.201625 -18.0882226 -18.08078438 0.0009297769784 33.91362394 33.96153029 0.01194284712
|
|
331 8 200.201625 -18.15965004 -18.1541524 0.0006872052861 33.59878186 33.63615606 0.01079209289
|
|
332 8 200.201625 -18.80661963 -18.80812943 0.00018872475 30.70053525 30.66226658 0.005174625061
|
|
333 8 200.201625 -18.46033085 -18.45862654 0.0002130389111 32.05073555 32.06781818 0.01112867631
|
|
334 8 200.201625 -18.73243289 -18.7335534 0.0001400632911 31.06929635 31.03524619 0.009802324909
|
|
335 8 200.201625 -18.75269416 -18.7539424 0.0001560298114 30.83061704 30.82626173 0.002471743379
|
|
336 8 200.201625 -18.53046841 -18.53130782 0.0001049263894 31.9374137 31.93006002 0.008521753487
|
|
337 8 200.201625 -18.74204457 -18.7439547 0.0002387664447 30.9524984 30.92891554 0.00607764811
|
|
338 8 200.201625 -18.7665218 -18.76303401 0.00043597323 30.69294511 30.72149267 0.003611657898
|
|
339 8 200.201625 -18.43371728 -18.4360942 0.0002971144529 32.30744058 32.30814542 0.003830893703
|
|
340 8 200.201625 -18.78218402 -18.78367204 0.000186002733 30.77701412 30.74912507 0.005222866972
|
|
341 8 200.201625 -18.79078245 -18.79244275 0.0002075369642 30.73755355 30.70862765 0.004923333276
|
|
342 8 200.201625 -18.29590831 -18.29577447 1.67305315e-05 32.95114108 32.96461268 0.005739068568
|
|
343 8 200.201625 -18.73699201 -18.73895195 0.0002449923934 30.98694254 30.96153909 0.006931951848
|
|
344 8 200.201625 -18.69166894 -18.6904893 0.0001474545002 31.04226381 31.06287081 0.003759996309
|
|
345 8 200.201625 -18.33823458 -18.34245514 0.0005275700442 32.67607529 32.68013891 0.003702143568
|
|
346 8 200.201625 -18.81117324 -18.81259133 0.0001772608136 30.70204505 30.65860384 0.005525059788
|
|
347 8 200.201625 -18.7815753 -18.78237822 0.0001003648013 30.69309041 30.6903958 0.002166806307
|
|
348 8 200.201625 -18.63535415 -18.63785271 0.0003123197606 31.39303077 31.38434601 0.004271968099
|
|
349 8 200.201625 -17.97637127 -17.96935603 0.0008769052212 34.36710822 34.41867543 0.009993624349
|
|
350 8 200.201625 -18.21251746 -18.21701939 0.000562741807 33.22500876 33.23095042 0.00491100548
|
|
351 8 200.201625 -18.79785536 -18.79944176 0.000198299474 30.70066385 30.6722835 0.004605598768
|
|
352 8 200.201625 -17.79089161 -17.79759717 0.0008381951381 34.9520544 34.88650965 0.0310566358
|
|
353 8 200.201625 -18.75483535 -18.75020027 0.0005793852661 30.73868171 30.77170688 0.004735523657
|
|
354 8 200.201625 -18.75607891 -18.74299885 0.001635007902 30.70094199 30.75814585 0.01075675063
|
|
355 8 200.201625 -18.66878394 -18.66399993 0.000598000781 31.11767344 31.15107427 0.007531767784
|
|
356 8 200.201625 -18.81232585 -18.81376554 0.0001799615728 30.70368047 30.65881666 0.005851387113
|
|
357 8 200.201625 -18.70149612 -18.69316334 0.001041597133 30.95879782 31.00233788 0.008711737179
|
|
358 8 200.201625 -17.63061453 -17.6399728 0.001169784292 35.63120775 35.54302363 0.03808822646
|
|
359 8 200.201625 -18.79173678 -18.79301852 0.0001602172095 30.79878991 30.75699261 0.007987913752
|
|
360 8 200.201625 -17.84057153 -17.82732118 0.001656293372 34.97623266 35.05515663 0.01399253301
|
|
361 8 200.201625 -18.80542506 -18.80699389 0.0001961033099 30.70167647 30.66435337 0.005131076861
|
|
362 8 200.201625 -18.47343535 -18.47479948 0.0001705167192 32.0133727 32.02656356 0.007283855081
|
|
363 8 200.201625 -18.7732418 -18.77478411 0.0001927887946 30.7644885 30.75076917 0.003471996558
|
|
364 8 200.201625 -18.75928718 -18.76082939 0.0001927760671 30.92073722 30.8870055 0.008103710053
|
|
365 8 200.201625 -18.67567587 -18.67696621 0.0001612925954 31.14801441 31.15491253 0.002345835109
|
|
366 8 200.201625 -18.4935243 -18.49616665 0.0003302935027 32.02977573 32.02831481 0.00378656047
|
|
367 8 200.201625 -18.68344891 -18.68542851 0.0002474494654 31.21676892 31.19821303 0.006653399638
|
|
368 8 200.201625 -18.72163134 -18.72335907 0.0002159658654 30.97466153 30.97010729 0.002607037059
|
|
369 8 200.201625 -18.76323002 -18.76448698 0.0001571198205 30.78394157 30.77889664 0.002529555983
|
|
370 8 200.201625 -18.71012131 -18.71230841 0.0002733879819 31.06476515 31.05039833 0.004869824632
|
|
371 8 200.201625 -18.41172981 -18.41091728 0.0001015658004 32.47908047 32.48491841 0.008168921671
|
|
372 8 200.201625 -18.75556452 -18.75682973 0.0001581517656 30.81782329 30.81325815 0.00248863635
|
|
373 8 200.201625 -17.93912399 -17.94657606 0.0009315085415 34.35344312 34.34024531 0.01646963812
|
|
374 8 200.201625 -18.69945954 -18.70156293 0.0002629237992 31.1116357 31.09822538 0.004614270075
|
|
375 8 200.201625 -18.54013568 -18.54065233 6.458110042e-05 31.91139376 31.90258588 0.009474477106
|
|
376 8 200.201625 -17.77248322 -17.75809166 0.001798945265 35.26127126 35.34678274 0.01399353077
|
|
377 8 200.201625 -18.4671877 -18.46796327 9.694573386e-05 32.21104587 32.20974735 0.007630723201
|
|
378 8 200.201625 -18.54624121 -18.54770762 0.0001833006751 31.84733515 31.83919545 0.007501764393
|
|
379 8 200.201625 -18.68141275 -18.68245573 0.0001303722297 31.29006417 31.26362036 0.01001716207
|
|
380 8 200.201625 -18.70036849 -18.70232185 0.0002441703452 31.13450217 31.11596503 0.006362575465
|
|
381 8 200.201625 -18.69410751 -18.6952961 0.0001485732478 31.06933397 31.07498893 0.002209125013
|
|
382 8 200.201625 -18.70308761 -18.70410237 0.0001268445825 31.19434226 31.16503451 0.009889065329
|
|
383 8 200.201625 -17.63871818 -17.64876551 0.001255916562 35.61713513 35.57471684 0.02762663857
|
|
384 8 200.201625 -18.26670494 -18.26877384 0.0002586128106 32.90908795 32.90861979 0.0138163847
|
|
385 8 200.201625 -18.43874814 -18.44239522 0.000455884933 32.21297213 32.21770238 0.003039790976
|
|
386 8 200.201625 -18.49389316 -18.49310999 9.789569048e-05 32.13893476 32.13635013 0.01014938813
|
|
387 8 200.201625 -17.72410328 -17.73330976 0.001150810455 35.25843308 35.2240878 0.02450582442
|
|
388 8 200.201625 -18.72050077 -18.72240731 0.0002383172925 31.04139822 31.02175449 0.006048600819
|
|
389 8 200.201625 -18.43155531 -18.43545377 0.000487307197 32.24821155 32.25222723 0.003033435763
|
|
390 8 200.201625 -18.14281279 -18.13656392 0.0007811090836 33.67831948 33.71950341 0.01149203152
|
|
391 8 200.201625 -18.25982877 -18.25564709 0.0005227096876 33.16971409 33.19650807 0.01030057878
|
|
392 8 200.201625 -17.82964986 -17.83556042 0.000738820405 34.78677693 34.72589843 0.02963312387
|
|
393 8 200.201625 -18.76830721 -18.76968583 0.0001723280754 30.88307742 30.84783219 0.007885019703
|
|
394 8 200.201625 -18.79492554 -18.79665676 0.0002164029639 30.69882134 30.67419428 0.004350752995
|
|
395 8 200.201625 -18.3162107 -18.31590836 3.779199493e-05 32.87189939 32.88449413 0.006286265725
|
|
396 8 200.201625 -18.77263551 -18.77376553 0.0001412531154 30.73583245 30.73213531 0.002326590291
|
|
397 8 200.201625 -18.52422998 -18.52700698 0.0003471254342 31.89876456 31.89467197 0.004547120348
|
|
398 8 200.201625 -18.80250837 -18.80405955 0.0001938975921 30.71564602 30.67859201 0.005497502375
|
|
399 8 200.201625 -18.62780659 -18.63022467 0.0003022596469 31.39809454 31.39604338 0.002667132395
|
|
400 8 200.201625 -18.56594918 -18.56593522 1.744925961e-06 31.81703373 31.80522202 0.01052190793
|
|
401 8 200.201625 -18.7591433 -18.7540651 0.000634774763 30.7156744 30.75059105 0.004832465756
|
|
402 8 200.201625 -18.6059663 -18.60657675 7.630646545e-05 31.435896 31.45079872 0.003798639128
|
|
403 8 200.201625 -18.79374507 -18.79516598 0.0001776134432 30.69745331 30.67537097 0.00414341293
|
|
404 8 200.201625 -18.31979582 -18.31625635 0.0004424332332 32.9098015 32.92969527 0.009747955686
|
|
405 8 200.201625 -18.6216126 -18.62218809 7.193595379e-05 31.56918611 31.54975296 0.01070035406
|
|
406 8 200.201625 -17.7341393 -17.74190222 0.0009703646735 35.19405799 35.12280232 0.03287761129
|
|
407 8 200.201625 -18.57533728 -18.5778669 0.0003162029499 31.68206429 31.67345633 0.005419248848
|
|
408 8 200.201625 -18.75651884 -18.75505313 0.0001832134868 30.75527156 30.77433295 0.00307125395
|
|
409 8 200.201625 -18.33916272 -18.33870261 5.751435176e-05 32.77407605 32.78524675 0.006334781919
|
|
410 8 200.201625 -18.74511398 -18.74145732 0.0004570821227 30.78725706 30.81679883 0.004463035204
|
|
411 8 200.201625 -18.66736262 -18.66922438 0.0002327197451 31.31160545 31.29091084 0.008026213661
|
|
412 8 200.201625 -18.79189574 -18.79326129 0.0001706940494 30.78694432 30.74660231 0.007435931618
|
|
413 8 200.201625 -18.18749088 -18.18331241 0.0005223092516 33.46629573 33.49774409 0.009607466502
|
|
414 8 200.201625 -18.41997189 -18.42218258 0.0002763361293 32.37564029 32.37742266 0.004453949704
|
|
415 8 200.201625 -17.62980316 -17.6117973 0.002250732577 35.8615335 35.96382909 0.01460047809
|
|
416 8 200.201625 -18.7607385 -18.76227085 0.0001915435576 30.90051335 30.86930477 0.007398351398
|
|
417 8 200.201625 -18.72949008 -18.7265579 0.00036652253 30.86249557 30.8891889 0.004294310975
|
|
418 8 200.201625 -18.76840718 -18.7685133 1.326511328e-05 30.73006416 30.73653279 0.002241901176
|
|
419 8 200.201625 -18.37458414 -18.37588222 0.0001622603887 32.43931592 32.44792064 0.01083456166
|
|
420 8 200.201625 -18.7401007 -18.74186806 0.0002209194773 30.97094887 30.94582142 0.006586810012
|
|
421 8 200.201625 -18.6165457 -18.60947674 0.0008836197355 31.34126322 31.37718999 0.01056210197
|
|
422 8 200.201625 -18.37990618 -18.37862569 0.0001600611941 32.62603081 32.63570634 0.008162979412
|
|
423 8 200.201625 -18.72740333 -18.72939625 0.0002491152871 30.95668304 30.94902395 0.002973044263
|
|
424 8 200.201625 -18.77052948 -18.77139949 0.0001087517462 30.74349158 30.74113259 0.002169182321
|
|
425 8 200.201625 -18.71500917 -18.71713735 0.0002660219085 31.04285916 31.02825046 0.004829792897
|
|
426 8 200.201625 -18.65197812 -18.65442505 0.0003058668014 31.33556549 31.32262916 0.005455984334
|
|
427 8 200.201625 -18.18884382 -18.18875211 1.146420745e-05 33.23590461 33.22208863 0.01915299609
|
|
428 8 200.201625 -18.7859779 -18.78745411 0.0001845257215 30.7162881 30.69908838 0.003752608953
|
|
429 8 200.201625 -18.55841848 -18.55912984 8.891943717e-05 31.8262533 31.81551763 0.009369820189
|
|
430 8 200.201625 -18.76160929 -18.76334394 0.0002168309862 30.86598936 30.84069904 0.005893006397
|
|
431 8 200.201625 -18.71535991 -18.71479286 7.088135382e-05 30.94722642 30.96317402 0.002869604383
|
|
432 8 200.201625 -17.92901857 -17.93603642 0.0008772316901 34.4116616 34.40578313 0.01452408145
|
|
433 8 200.201625 -18.6275475 -18.6206866 0.0008576128434 31.29271573 31.3290308 0.01013000848
|
|
434 8 200.201625 -17.92549592 -17.93081234 0.0006645527181 34.37873196 34.33552317 0.02441224861
|
|
435 8 200.201625 -17.46706373 -17.44432291 0.00284260192 36.54280676 36.6652175 0.0164162792
|
|
436 8 200.201625 -18.79464903 -18.79630926 0.0002075292859 30.70938385 30.68254484 0.004514450549
|
|
437 8 200.201625 -17.92014957 -17.92317595 0.0003782975488 34.39699762 34.34133084 0.02817278658
|
|
438 8 200.201625 -18.66305746 -18.66436098 0.0001629401385 31.35537696 31.33285431 0.009313392969
|
|
439 8 200.201625 -17.60094497 -17.61169923 0.001344283028 35.7607078 35.68593966 0.0345619983
|
|
440 8 200.201625 -18.8122042 -18.81370198 0.0001872221 30.70320572 30.65843981 0.005798228301
|
|
441 8 200.201625 -18.75601396 -18.73813685 0.002234638769 30.69324927 30.75983264 0.01379047315
|
|
442 8 200.201625 -18.37956385 -18.38322679 0.0004578672313 32.44481636 32.45126966 0.0064770535
|
|
443 8 200.201625 -18.8043035 -18.80577552 0.0001840019821 30.71500204 30.67625814 0.005691394082
|
|
444 8 200.201625 -18.47663999 -18.47475705 0.0002353670839 31.97754427 31.9959509 0.0108857806
|
|
445 8 200.201625 -18.70843731 -18.71052377 0.0002608079142 31.05146217 31.04241522 0.003563150657
|
|
446 8 200.201625 -17.33743476 -17.35153546 0.001762588095 36.85821439 36.72274189 0.05282705978
|
|
447 8 200.201625 -17.73093438 -17.71632772 0.001825832151 35.42963712 35.51660537 0.01332474567
|
|
448 8 200.201625 -18.69472436 -18.69683378 0.0002636769214 31.12186079 31.11155255 0.004145182528
|
|
449 8 200.201625 -18.4195026 -18.42340297 0.0004875461095 32.30315962 32.30718188 0.003117283834
|
|
450 8 200.201625 -18.61257812 -18.61323076 8.157937697e-05 31.59962618 31.58190786 0.01024798167
|
|
451 8 200.201625 -18.7146522 -18.71558931 0.0001171393098 31.14740436 31.11625616 0.009953718426
|
|
452 8 200.201625 -18.75266251 -18.74566427 0.0008747800952 30.73474811 30.77627348 0.006401082507
|
|
453 8 200.201625 -17.58985534 -17.57042347 0.002428983584 36.0307165 36.13867277 0.01496490237
|
|
454 8 200.201625 -18.66672124 -18.66823293 0.0001889609957 31.19175762 31.19775228 0.002291289194
|
|
455 8 200.201625 -18.81218421 -18.81366876 0.0001855690581 30.7002754 30.65598116 0.005419927786
|
|
456 8 200.201625 -18.75038476 -18.73739316 0.00162394957 30.72660401 30.78324651 0.01078395972
|
|
457 8 200.201625 -18.47684189 -18.47688547 5.447154671e-06 32.19000834 32.18833376 0.008850608822
|
|
458 8 200.201625 -18.31453625 -18.31133234 0.0004004883805 32.92820944 32.94791811 0.009508568601
|
|
459 8 200.201625 -18.69127396 -18.69356093 0.0002858713014 31.15382181 31.13966747 0.005238570167
|
|
460 8 200.201625 -18.10330177 -18.09696924 0.0007915664263 33.84032585 33.88370274 0.0110604714
|
|
461 8 200.201625 -18.14670206 -18.14205241 0.0005812066738 33.640002 33.67527792 0.009645325441
|
|
462 8 200.201625 -18.66094305 -18.66331038 0.0002959156522 31.25661579 31.25161481 0.003053639042
|
|
463 8 200.201625 -18.77142257 -18.77240477 0.0001227756179 30.74388016 30.7398245 0.002368758854
|
|
464 8 200.201625 -18.75292606 -18.75472104 0.0002243723519 30.86097273 30.84696879 0.003733190967
|
|
465 8 200.201625 -18.77142279 -18.77330066 0.0002347334933 30.79109751 30.77192711 0.004100544464
|
|
466 8 200.201625 -18.52350379 -18.52332792 2.19832972e-05 31.9999607 31.99320205 0.01006805137
|
|
467 8 200.201625 -18.75768308 -18.75823395 6.885881086e-05 30.7895604 30.79218216 0.001903712148
|
|
468 8 200.201625 -18.59048005 -18.59256889 0.0002611050883 31.63151852 31.62072561 0.006714413361
|
|
469 8 200.201625 -18.13433913 -18.12807892 0.00078252662 33.71207708 33.75360766 0.01132812893
|
|
470 8 200.201625 -18.78732566 -18.7890744 0.0002185920179 30.76156915 30.73091038 0.005581736808
|
|
471 8 200.201625 -17.99763393 -17.99072331 0.0008638275152 34.27749408 34.32753031 0.01006321122
|
|
472 8 200.201625 -18.40459662 -18.40559989 0.0001254086068 32.30583538 32.31644775 0.01035101913
|
|
473 8 200.201625 -18.77122943 -18.77092381 3.82029964e-05 30.70961707 30.71933479 0.00250636016
|
|
474 8 200.201625 -18.59498678 -18.59697853 0.0002489685259 31.60919706 31.59859157 0.006550767095
|
|
475 8 200.201625 -18.61078851 -18.61112908 4.257109316e-05 31.61816518 31.60040455 0.01068458903
|
|
476 8 200.201625 -18.78191458 -18.78348666 0.0001965101103 30.78896034 30.75864715 0.005937050399
|
|
477 8 200.201625 -18.69812486 -18.69215046 0.0007468001298 30.98251177 31.01998569 0.007457724127
|
|
478 8 200.201625 -18.599118 -18.60188327 0.0003456587224 31.52250617 31.52162549 0.002549132818
|
|
479 8 200.201625 -18.63138484 -18.63412583 0.0003426236207 31.39076608 31.38613995 0.003125812397
|
|
480 8 200.201625 -18.69103538 -18.69193839 0.0001128762718 31.0737519 31.08264053 0.002455227804
|
|
481 8 200.201625 -18.76695437 -18.7673997 5.566666845e-05 30.74328864 30.74699922 0.001996395309
|
|
482 8 200.201625 -18.50905827 -18.51116877 0.0002638126977 31.98343616 31.97965362 0.005466949785
|
|
483 8 200.201625 -18.79810412 -18.79963279 0.000191083668 30.74041066 30.70287664 0.006204017247
|
|
484 8 200.201625 -18.77292305 -18.77306827 1.815236364e-05 30.70756394 30.71441656 0.002262941586
|
|
485 8 200.201625 -18.67203457 -18.67290321 0.0001085799566 31.34225045 31.31621145 0.01051009694
|
|
486 8 200.201625 -18.34308797 -18.34089468 0.0002741615033 32.79331592 32.80806727 0.008551099876
|
|
487 8 200.201625 -18.69373615 -18.69579446 0.0002572881539 31.09357725 31.09139 0.002389337596
|
|
488 8 200.201625 -18.70086005 -18.69940455 0.0001819379124 30.99812787 31.0199515 0.003895686692
|
|
489 8 200.201625 -18.76087218 -18.75849803 0.0002967689242 30.72895691 30.75196603 0.003293332463
|
|
490 8 200.201625 -18.77009294 -18.76880081 0.0001615167654 30.69975709 30.7164453 0.002967818624
|
|
491 8 200.201625 -18.74560983 -18.74710089 0.0001863821948 30.99027387 30.95694666 0.008776425711
|
|
492 8 200.201625 -18.04302672 -18.04622779 0.0004001339143 33.87206047 33.84238403 0.02162830536
|
|
493 8 200.201625 -18.60636104 -18.59824479 0.001014531541 31.38427404 31.42118793 0.01146043101
|
|
494 8 200.201625 -18.62046003 -18.61162092 0.00110488824 31.31891877 31.35803781 0.01150511298
|
|
495 8 200.201625 -17.92795138 -17.93512657 0.0008968991993 34.38610205 34.36216856 0.01965247173
|
|
496 8 200.201625 -18.79929172 -18.80088715 0.0001994285669 30.74132287 30.7021325 0.006448771829
|
|
497 8 200.201625 -18.74347104 -18.74494871 0.0001847084603 30.87906946 30.87294665 0.002740716682
|
|
498 8 200.201625 -18.14428427 -18.14948465 0.0006500475749 33.50705084 33.51124268 0.006825642084
|
|
499 8 200.201625 -18.08368318 -18.07909181 0.0005739211267 33.89731755 33.93544574 0.008684340181
|
|
500 8 200.201625 -18.471931 -18.47261644 8.568020338e-05 32.01337928 32.02783639 0.008318570692
|
|
501 8 200.201625 -18.74485569 -18.74665822 0.0002253166983 30.89904069 30.88500626 0.003723689747
|
|
502 8 200.201625 -18.66896964 -18.67136397 0.0002992907823 31.23428064 31.22549918 0.003772740583
|
|
503 8 200.201625 -17.39967145 -17.41289033 0.001652359787 36.60474426 36.50971105 0.04191464099
|
|
504 8 200.201625 -17.773513 -17.78141256 0.0009874448946 35.03024608 34.97286649 0.02867125702
|
|
505 8 200.201625 -18.74038578 -18.74217395 0.0002235208383 30.89607722 30.88860356 0.002895279251
|
|
506 8 200.201625 -18.76985102 -18.76987679 3.220901797e-06 30.7197082 30.72750335 0.002347990519
|
|
507 8 200.201625 -18.42069582 -18.42438577 0.0004612434876 32.28649509 32.29186889 0.003190897819
|
|
508 8 200.201625 -18.5693582 -18.5710242 0.0002082499707 31.74324687 31.73288257 0.007621155398
|
|
509 8 200.201625 -18.80735701 -18.83346821 0.003263900515 30.72627169 30.41547528 0.03914558429
|
|
510 8 200.201625 -18.66084669 -18.66312623 0.0002849419703 31.29349745 31.28094749 0.005462237679
|
|
511 8 200.201625 -18.73335982 -18.73537963 0.0002524760105 30.95817186 30.94272399 0.004329086839
|
|
512 8 200.201625 -18.44399739 -18.44703354 0.0003795183773 32.23664049 32.2377014 0.003116314614
|
|
513 8 200.201625 -18.78095782 -18.78257673 0.0002023639122 30.78934574 30.75973747 0.005659066535
|
|
514 8 200.201625 -18.61718692 -18.61757155 4.807849606e-05 31.58871968 31.57012038 0.01065923192
|
|
515 8 200.201625 -17.83808367 -17.8248249 0.001657345625 34.98638552 35.06541425 0.01396432425
|
|
516 8 200.201625 -18.78128193 -18.78290949 0.0002034451897 30.727388 30.71300403 0.003497203438
|
|
517 8 200.201625 -18.68106781 -18.68225296 0.0001481439877 31.12150107 31.12926123 0.002396604217
|
|
518 8 200.201625 -18.47061532 -18.46229665 0.001039833706 31.98599501 32.00833127 0.0157607848
|
|
519 8 200.201625 -18.25620417 -18.2553917 0.000101558963 33.13261405 33.15041853 0.006489034332
|
|
520 8 200.201625 -18.73174039 -18.73163332 1.338407409e-05 30.88094241 30.8935044 0.002692377088
|
|
521 8 200.201625 -18.80652014 -18.80788792 0.0001709723192 30.71249961 30.67197783 0.005737163451
|
|
522 8 200.201625 -18.72454093 -18.72603215 0.0001864022756 31.08055451 31.05060159 0.008910289519
|
|
523 8 200.201625 -18.79139588 -18.79275448 0.0001698244253 30.79216363 30.75134868 0.007607321956
|
|
524 8 200.201625 -18.52999468 -18.53031454 3.998278749e-05 31.96031995 31.95264196 0.009601321995
|
|
525 8 200.201625 -18.6600261 -18.66074621 9.001389119e-05 31.39071003 31.36687035 0.01031013377
|
|
526 8 200.201625 -18.5267411 -18.52078574 0.0007444205445 31.74249496 31.76963682 0.01258255584
|
|
527 8 200.201625 -18.66072999 -18.66222276 0.0001865957785 31.34657051 31.3266515 0.008328720609
|
|
528 8 200.201625 -17.94290756 -17.94740908 0.0005626905886 34.30351647 34.26095217 0.02440924337
|
|
529 8 200.201625 -18.74746088 -18.7476613 2.505287362e-05 30.82325696 30.83084335 0.002342453819
|
|
530 8 200.201625 -17.74220669 -17.72800147 0.00177565262 35.38159423 35.46700802 0.01322505972
|
|
531 8 200.201625 -18.4839883 -18.48743544 0.0004308927632 32.02540415 32.02832722 0.002697276266
|
|
532 8 200.201625 -18.73063211 -18.73260237 0.0002462827616 30.99344311 30.97323669 0.005836961512
|
|
533 8 200.201625 -18.41707314 -18.42087555 0.0004753011024 32.32458933 32.3279602 0.003118070662
|
|
534 8 200.201625 -18.77040554 -18.76983836 7.089769111e-05 30.71114134 30.72213262 0.002610135406
|
|
535 8 200.201625 -17.89007277 -17.89784223 0.000971182415 34.55611617 34.53563681 0.0190665128
|
|
536 8 200.201625 -18.67919605 -18.68139514 0.000274886562 31.15809505 31.15627195 0.002355585129
|
|
537 8 200.201625 -18.79908423 -18.80064764 0.000195426214 30.69766252 30.66856199 0.004651495555
|
|
538 8 200.201625 -18.75199676 -18.74504884 0.000868490016 30.73813036 30.77938269 0.00636527701
|
|
539 8 200.201625 -18.65915221 -18.66005422 0.0001127513263 31.39646377 31.37212149 0.01046128326
|
|
540 8 200.201625 -18.77166075 -18.77340211 0.0002176705665 30.83353221 30.80416434 0.006140702269
|
|
541 8 200.201625 -18.54987797 -18.55295657 0.0003848250874 31.75016159 31.74906423 0.002831850085
|
|
542 8 200.201625 -18.4068714 -18.41070213 0.000478840701 32.33881788 32.34452344 0.004282650246
|
|
543 8 200.201625 -17.89938519 -17.88856291 0.001352784787 34.71719456 34.78534974 0.01268157122
|
|
544 8 200.201625 -18.59463214 -18.59477836 1.827794403e-05 31.68885639 31.67341166 0.0105809482
|
|
545 8 200.201625 -18.01829713 -18.02137446 0.0003846660424 33.97805332 33.94393986 0.02273870973
|
|
546 8 200.201625 -18.72980992 -18.7307373 0.0001159226746 30.90821248 30.91299611 0.002099471352
|
|
547 8 200.201625 -18.09460372 -18.09027425 0.0005411833682 33.85168214 33.88885464 0.008766027995
|
|
548 8 200.201625 -18.79197214 -18.79335343 0.0001726616563 30.69498359 30.67599676 0.003890401557
|
|
549 8 200.201625 -18.63076804 -18.63120248 5.430517749e-05 31.3242673 31.33966545 0.003505924453
|
|
550 8 200.201625 -18.67631279 -18.6784368 0.0002655012157 31.18397755 31.17929812 0.002788526859
|
|
551 8 200.201625 -18.76039271 -18.75114728 0.001155678698 30.69164737 30.73982493 0.008022071685
|
|
552 8 200.201625 -18.70445468 -18.70583195 0.000172158966 31.17184634 31.14421208 0.00915070413
|
|
553 8 200.201625 -18.75549505 -18.75681641 0.0001651697907 30.95853173 30.921787 0.009114229945
|
|
554 8 200.201625 -18.80538489 -18.80684013 0.0001819049675 30.72022126 30.67910581 0.006161047463
|
|
555 8 200.201625 -18.48228753 -18.4840621 0.000221821306 32.11209308 32.10984834 0.005846740497
|
|
556 8 200.201625 -18.633529 -18.63592691 0.0002997389214 31.41461999 31.4037294 0.005161344368
|
|
557 8 200.201625 -18.76287943 -18.76452336 0.0002054914852 30.90486943 30.87041301 0.008055620783
|
|
558 8 200.201625 -18.62619092 -18.62526181 0.0001161383903 31.33011586 31.35115512 0.005337267745
|
|
559 8 200.201625 -18.72114707 -18.72123383 1.084470276e-05 30.93529311 30.9458618 0.002581982398
|
|
560 8 200.201625 -18.76488234 -18.76046279 0.0005524437827 30.69317323 30.72575808 0.00415836587
|
|
561 8 200.201625 -18.73126496 -18.732629 0.0001705047165 31.04778337 31.01773725 0.00864731845
|
|
562 8 200.201625 -18.37843804 -18.37603134 0.0003008377796 32.64989951 32.66208798 0.008899499197
|
|
563 8 200.201625 -18.77180885 -18.7731619 0.0001691315865 30.88262952 30.84420089 0.008569507679
|
|
564 8 200.201625 -18.53731631 -18.53216409 0.0006440271314 31.69792775 31.72504262 0.01170799149
|
|
565 8 200.201625 -18.73365379 -18.73539263 0.0002173552794 31.01365498 30.98676475 0.007531679579
|
|
566 8 200.201625 -18.69061038 -18.69280383 0.000274181481 31.15322222 31.14008455 0.004990556409
|
|
567 8 200.201625 -18.7895126 -18.79104996 0.0001921703086 30.780051 30.74333236 0.006708396431
|
|
568 8 200.201625 -18.06806429 -18.07161118 0.000443361651 33.76578617 33.74134139 0.02021411093
|
|
569 8 200.201625 -18.40239739 -18.40144347 0.000119239655 32.52374104 32.53072022 0.008266423376
|
|
570 8 200.201625 -18.32293068 -18.32645301 0.0004402909013 32.76118571 32.7663243 0.003858785479
|
|
571 8 200.201625 -18.75394514 -18.75267663 0.0001585640336 30.77003159 30.78777797 0.003003178447
|
|
572 8 200.201625 -18.72292634 -18.72489852 0.0002465220603 31.04369731 31.02098102 0.006768444567
|
|
573 8 200.201625 -18.75763136 -18.75950863 0.0002346589678 30.84667761 30.83016668 0.003860424962
|
|
574 8 200.201625 -18.47854526 -18.47940182 0.0001070702527 31.98669421 32.00108484 0.007810202147
|
|
575 8 200.201625 -18.03064827 -18.02259285 0.001006927609 34.15732894 34.21050276 0.01198852982
|
|
576 8 200.201625 -18.68737002 -18.68871226 0.0001677798915 31.09771958 31.10351269 0.002221974818
|
|
577 8 200.201625 -18.66738196 -18.6687865 0.0001755675897 31.32694406 31.30501687 0.008839103977
|
|
578 8 200.201625 -18.75512724 -18.75659384 0.0001833246329 30.82784431 30.82069275 0.002819562233
|
|
579 8 200.201625 -18.59939766 -18.59995825 7.007315179e-05 31.65652678 31.64059464 0.01013176319
|
|
580 8 200.201625 -18.76097229 -18.76113973 2.092966221e-05 30.76098975 30.76839872 0.002314996649
|
|
581 8 200.201625 -18.80083418 -18.80217784 0.0001679580612 30.75748617 30.71424315 0.007423263788
|
|
582 8 200.201625 -18.19674162 -18.20186302 0.0006401748287 33.27613327 33.2798813 0.006095714957
|
|
583 8 200.201625 -18.53790466 -18.54092515 0.0003775617865 31.80249433 31.80211829 0.002774036016
|
|
584 8 200.201625 -18.73218899 -18.73358612 0.0001746415935 31.04559798 31.01497647 0.008747458226
|
|
585 8 200.201625 -18.74526571 -18.74091997 0.0005432180933 30.78278613 30.81498501 0.0045222606
|
|
586 8 200.201625 -18.71567197 -18.69908999 0.002072747402 30.87789964 30.93813246 0.01330060358
|
|
587 8 200.201625 -18.68651643 -18.68871417 0.0002747176294 31.15213653 31.14369227 0.003748143915
|
|
588 8 200.201625 -18.77936782 -18.7810821 0.0002142848616 30.75320158 30.73411684 0.003954930341
|
|
589 8 200.201625 -17.73421213 -17.74322493 0.001126599577 35.19959959 35.14356721 0.02838531428
|
|
590 8 200.201625 -18.30208345 -18.29871267 0.0004213475472 32.98104327 33.0019943 0.009537415669
|
|
591 8 200.201625 -18.14755007 -18.15325866 0.0007135732396 33.465789 33.46490766 0.0100589896
|
|
592 8 200.201625 -18.60255027 -18.60290278 4.406390007e-05 31.44337214 31.46025977 0.004636125479
|
|
593 8 200.201625 -18.65907331 -18.66078818 0.0002143592113 31.347949 31.32865154 0.008058268227
|
|
594 8 200.201625 -18.70767438 -18.7053415 0.0002916098396 30.96144355 30.98694306 0.004134173689
|
|
595 8 200.201625 -18.7573594 -18.74623602 0.001390422919 30.7003204 30.75310722 0.009340512369
|
|
596 8 200.201625 -18.15411912 -18.14838807 0.0007163809726 33.62241274 33.66053127 0.01081428714
|
|
597 8 200.201625 -18.62105475 -18.62371537 0.0003325771834 31.43917497 31.43454783 0.003051368108
|
|
598 8 200.201625 -18.67733441 -18.67834085 0.0001258050709 31.31517246 31.28854353 0.01036523932
|
|
599 8 200.201625 -18.59540597 -18.59660671 0.0001500927663 31.65153354 31.63704651 0.009026244474
|
|
600 8 200.201625 -18.76283552 -18.76451397 0.0002098061176 30.88718469 30.85598004 0.007087710554
|
|
601 8 200.201625 -18.21957775 -18.21818192 0.0001744788718 33.09956841 33.08838733 0.01915231803
|
|
602 8 200.201625 -18.76810765 -18.7652206 0.0003608806867 30.69253624 30.71780143 0.003421138879
|
|
603 8 200.201625 -18.64958956 -18.65141935 0.000228724283 31.37860498 31.3616151 0.007300751952
|
|
604 8 200.201625 -18.6486926 -18.64954351 0.0001063632298 31.43869198 31.41628364 0.01025643538
|
|
605 8 200.201625 -18.5282391 -18.53017605 0.0002421182602 31.91485738 31.90844345 0.006721242226
|
|
606 8 200.201625 -18.76041096 -18.76206564 0.0002068351074 30.90568149 30.8733052 0.007526803621
|
|
607 8 200.201625 -18.22395671 -18.22903582 0.0006348883708 33.12659565 33.12716182 0.00940049207
|
|
608 8 200.201625 -18.61160807 -18.61183888 2.885146055e-05 31.61275428 31.59525028 0.01057066424
|
|
609 8 200.201625 -18.78424381 -18.78582688 0.000197883545 30.80733448 30.77042018 0.007159030433
|
|
610 8 200.201625 -18.33190911 -18.33189416 1.868884845e-06 32.61624411 32.62120095 0.01388754989
|
|
611 8 200.201625 -18.7971034 -18.79850544 0.0001752551776 30.76023868 30.71977199 0.006962976026
|
|
612 8 200.201625 -18.80619845 -18.80748435 0.000160737564 30.72599028 30.68323853 0.006536207781
|
|
613 8 200.201625 -18.70658767 -18.70876476 0.0002721360218 31.08673112 31.07104568 0.005050074427
|
|
614 8 200.201625 -18.02120501 -18.02219921 0.0001242753233 33.96097194 33.91912841 0.0248110898
|
|
615 8 200.201625 -18.16700103 -18.17025857 0.000407192135 33.34287842 33.33269249 0.01624735621
|
|
# Strain.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
616 8 200.3335508 -38.68900207 -38.70258669 0.001698078107 9.565139267e-05 0 1.608146661e-05
|
|
617 8 229.4398214 -37.68676855 -37.67775132 0.001127153395 5.18219121e-05 0 7.297734186e-06
|
|
618 8 228.0782799 -37.90625865 -37.92256116 0.002037813473 8.592432265e-05 0 1.557722682e-05
|
|
619 8 217.5990433 -38.33496448 -38.35404444 0.002384995156 7.514848759e-05 0 1.257094813e-05
|
|
620 8 203.2571875 -37.98265247 -37.97890348 0.0004686243692 5.830731779e-05 0 9.791080986e-06
|
|
621 8 202.6170281 -38.12129779 -38.10663521 0.001832822021 8.065711931e-05 0 1.209969354e-05
|
|
622 8 166.9416446 -37.05570358 -37.06560865 0.001238133726 0.0002042539861 0 3.126440163e-05
|
|
623 8 211.7144728 -38.43592344 -38.44489458 0.001121392024 7.737207071e-05 0 1.286346716e-05
|
|
624 8 214.1832155 -38.22730582 -38.22591978 0.0001732546467 7.476668861e-05 0 1.180399417e-05
|
|
625 8 196.1054575 -38.69736141 -38.71102348 0.001707758969 6.957700852e-05 0 9.086086465e-06
|
|
626 8 177.8472768 -37.93770694 -37.9483308 0.001327982594 0.0001584142754 0 2.955514655e-05
|
|
627 8 189.5028666 -38.13640686 -38.13417254 0.0002792901394 0.0001190365992 0 2.101018491e-05
|
|
628 8 162.7593198 -36.66604298 -36.6664979 5.686440241e-05 0.0002856073422 0 4.903770585e-05
|
|
629 8 184.9266458 -38.44838055 -38.46259083 0.001776285231 0.0001269803213 0 2.001908871e-05
|
|
630 8 189.2373161 -38.08092178 -38.07805907 0.0003578386895 0.0001038939576 0 1.77865819e-05
|
|
631 8 187.4715245 -38.40884359 -38.41703276 0.001023646252 8.411384343e-05 0 1.143295794e-05
|
|
632 8 211.5385643 -38.45414098 -38.4679551 0.001726764907 9.077984104e-05 0 1.710955846e-05
|
|
633 8 163.0620529 -36.28138186 -36.26472406 0.002082225536 0.0002869082952 0 5.038581206e-05
|
|
634 8 202.9235577 -38.11919912 -38.1282619 0.00113284748 8.308738991e-05 0 1.50988678e-05
|
|
635 8 180.9458101 -38.06398429 -38.08222169 0.002279675307 0.000120894158 0 1.701665662e-05
|
|
636 8 221.7281625 -38.12628169 -38.1401102 0.001728563906 6.796029167e-05 0 9.454597983e-06
|
|
637 8 198.326172 -38.27957035 -38.28172569 0.0002694176018 6.212046088e-05 0 9.327378702e-06
|
|
638 8 191.0071238 -38.27417314 -38.28758136 0.001676026986 9.032832113e-05 0 1.579934466e-05
|
|
639 8 176.7300035 -37.31640148 -37.3050262 0.001421909985 0.0001457646421 0 2.330040614e-05
|
|
640 8 165.8100483 -36.94698049 -36.95721097 0.001278810257 0.0001616667824 0 2.657276487e-05
|
|
641 8 195.8480944 -38.43793403 -38.43899557 0.000132693073 9.439678375e-05 0 1.557868741e-05
|
|
642 8 169.2676996 -37.05623238 -37.05934352 0.0003888926202 0.0001099521175 0 1.906360451e-05
|
|
643 8 163.1648708 -36.7129547 -36.71493496 0.0002475321823 0.0001324122506 0 2.285218963e-05
|
|
644 8 188.1146032 -38.32599713 -38.33632133 0.001290525477 8.989353814e-05 0 1.328484504e-05
|
|
645 8 163.5437223 -36.79995486 -36.79425161 0.0007129059468 0.0002857891586 0 4.695286422e-05
|
|
646 8 221.1237548 -38.1969785 -38.21519129 0.00227659891 7.826182655e-05 0 1.344640988e-05
|
|
647 8 227.4098215 -37.96509802 -37.98550076 0.002550342366 5.271986784e-05 0 7.301381191e-06
|
|
648 8 194.0426321 -38.16999347 -38.15380832 0.002023144135 0.0001009463818 0 1.842021089e-05
|
|
649 8 218.2653475 -38.07207818 -38.07617611 0.0005122414445 7.262090418e-05 0 1.269228898e-05
|
|
650 8 221.0594946 -38.09389004 -38.10211299 0.001027868638 7.350227373e-05 0 1.232780021e-05
|
|
651 8 202.4676955 -38.39442072 -38.39252912 0.0002364497111 6.427825925e-05 0 8.624628735e-06
|
|
652 8 246.3593029 -36.97318638 -36.97481197 0.0002031986071 7.372023845e-05 0 1.195138467e-05
|
|
653 8 200.3581393 -38.18770868 -38.16239523 0.003164181275 8.59249002e-05 0 1.497684041e-05
|
|
654 8 141.8890198 -32.2283199 -32.18589704 0.005302857811 0.0007949941791 0 0.0001425938169
|
|
655 8 191.7516584 -38.3896913 -38.39299598 0.0004130844159 3.959799939e-05 0 6.333904127e-06
|
|
656 8 178.5473794 -37.96953604 -37.98407917 0.001817891841 0.0001101027164 0 1.450143945e-05
|
|
657 8 177.8713076 -37.94220556 -37.95163819 0.001179078772 0.0001463317748 0 2.43710877e-05
|
|
658 8 203.7057823 -38.24724333 -38.24193762 0.0006632137682 9.188882098e-05 0 1.716768522e-05
|
|
659 8 221.8525243 -37.87980826 -37.87591984 0.0004860526822 6.101944088e-05 0 7.832625799e-06
|
|
660 8 149.0403918 -34.14688035 -34.1201446 0.003341969229 0.0005425842126 0 9.27799869e-05
|
|
661 8 180.8623672 -38.22030391 -38.23180712 0.00143790111 0.0001324858072 0 2.37411305e-05
|
|
662 8 137.6430743 -30.75067541 -30.75189792 0.0001528141434 0.0008479020041 0 0.0001399318287
|
|
663 8 197.135318 -38.25399525 -38.23907453 0.001865090349 8.987241293e-05 0 1.367704845e-05
|
|
664 8 173.2294161 -37.65401301 -37.6586922 0.0005848985019 0.00016637696 0 2.627755118e-05
|
|
665 8 169.9240347 -37.52746857 -37.53059169 0.0003903895114 0.0002199908744 0 3.992995567e-05
|
|
666 8 186.4922502 -38.24489612 -38.25030306 0.0006758672644 9.373632846e-05 0 1.282530877e-05
|
|
667 8 231.7140705 -37.44952179 -37.44655603 0.000370720202 3.611901578e-05 0 5.350666868e-06
|
|
668 8 188.2844459 -38.39683418 -38.40387361 0.0008799293595 0.0001150505559 0 2.047498972e-05
|
|
669 8 176.2720605 -37.64584365 -37.64901469 0.0003963794445 0.0001398519062 0 1.999703213e-05
|
|
670 8 148.3227116 -33.98445395 -33.95941672 0.003129653458 0.0005371504726 0 9.740650729e-05
|
|
671 8 169.4815337 -37.40392385 -37.41150461 0.0009475953113 0.0002083323567 0 3.134954063e-05
|
|
672 8 223.5961964 -37.88761437 -37.88116747 0.0008058629708 9.488406308e-05 0 1.902880075e-05
|
|
673 8 210.7071543 -38.47200774 -38.48146633 0.001182323388 2.300876501e-05 0 2.993100617e-06
|
|
674 8 189.0498251 -38.35458416 -38.36376178 0.001147202197 0.0001048039494 0 1.469197154e-05
|
|
675 8 189.2172923 -38.17584275 -38.17149294 0.0005437263188 0.0001107401519 0 1.916134054e-05
|
|
676 8 165.8045836 -36.98808762 -36.99497347 0.0008607316154 0.0002103627193 0 3.503422734e-05
|
|
677 8 223.3891367 -37.85173284 -37.84502676 0.0008382595937 6.939955008e-05 0 1.126773023e-05
|
|
678 8 251.2864893 -36.70149723 -36.69980308 0.0002117693458 7.515575694e-05 0 1.19354863e-05
|
|
679 8 150.038164 -34.4124403 -34.39618318 0.002032139893 0.0004506517596 0 7.094863454e-05
|
|
680 8 176.6711513 -37.94683456 -37.9620267 0.001899017373 0.0001105269205 0 1.560065174e-05
|
|
681 8 173.6781768 -37.58151448 -37.58580998 0.0005369378554 0.0001846758915 0 2.972361601e-05
|
|
682 8 164.4272804 -36.73404541 -36.73718943 0.0003930021792 0.0003053689562 0 5.43319167e-05
|
|
683 8 201.9318491 -38.63089105 -38.64271162 0.001477570644 9.182710201e-05 0 1.676866289e-05
|
|
684 8 178.915824 -38.05711614 -38.06390433 0.0008485234579 8.979491682e-05 0 1.401972385e-05
|
|
685 8 186.137401 -38.34255178 -38.3506291 0.001009665045 0.0001075007799 0 1.593422645e-05
|
|
686 8 214.4694873 -38.20396742 -38.20349423 5.914904757e-05 7.123534866e-05 0 1.262465262e-05
|
|
687 8 181.5897676 -38.16082754 -38.17182774 0.001375024432 0.0001512120337 0 2.936382854e-05
|
|
688 8 167.515933 -37.19535776 -37.20028774 0.0006162478536 0.0001634211828 0 2.208712911e-05
|
|
689 8 176.0508922 -37.98652374 -37.9956655 0.001142720251 0.0001820683187 0 3.355148636e-05
|
|
690 8 182.8085861 -37.65443274 -37.6417173 0.001589429572 0.0001396074995 0 2.328686892e-05
|
|
691 8 210.0945817 -38.13903136 -38.13342759 0.000700471237 8.007914169e-05 0 1.548005327e-05
|
|
692 8 178.665713 -37.92143475 -37.92785728 0.0008028158195 0.0001197532899 0 2.07705556e-05
|
|
693 8 215.9752421 -38.03071029 -38.01680861 0.001737709651 6.099078084e-05 0 8.355340402e-06
|
|
694 8 165.0314682 -36.85741531 -36.86219055 0.0005969050291 0.0002759246422 0 4.623734828e-05
|
|
695 8 165.1229899 -36.39465459 -36.37496414 0.002461305649 0.0002562856402 0 3.99702304e-05
|
|
696 8 203.8768931 -38.59573678 -38.60882595 0.001636146578 6.061406887e-05 0 8.089159968e-06
|
|
697 8 195.7185102 -38.4116991 -38.41164674 6.545203606e-06 8.658555155e-05 0 1.438289738e-05
|
|
698 8 195.0149707 -38.36783103 -38.37471854 0.0008609383124 8.316504773e-05 0 1.431829548e-05
|
|
699 8 210.025617 -38.53801577 -38.5528798 0.001858004155 6.404353231e-05 0 9.548802093e-06
|
|
700 8 178.1759417 -37.74542944 -37.74907836 0.0004561155569 0.0001377860836 0 2.27221819e-05
|
|
701 8 215.9057921 -37.99679173 -37.98660224 0.00127368651 8.093401727e-05 0 1.475628594e-05
|
|
702 8 203.217777 -38.04303135 -38.05536061 0.00154115752 8.595997063e-05 0 1.608930054e-05
|
|
703 8 232.680727 -37.6938887 -37.70848743 0.001824841392 9.352001317e-05 0 1.74170938e-05
|
|
704 8 177.8274734 -37.6973625 -37.69848404 0.0001401925932 0.0001000221374 0 1.589654434e-05
|
|
705 8 209.6322873 -38.1661326 -38.1581976 0.0009918753886 6.679576081e-05 0 9.420527314e-06
|
|
706 8 189.3908007 -38.2233399 -38.2271875 0.0004809502801 8.994783153e-05 0 1.283805129e-05
|
|
707 8 211.7697192 -38.11990274 -38.10974495 0.001269723981 7.73792385e-05 0 1.187015986e-05
|
|
708 8 187.516657 -38.1904096 -38.18945929 0.0001187888618 0.0001165506195 0 2.043622817e-05
|
|
709 8 178.988231 -37.85526049 -37.87240443 0.00214299189 0.0001414219804 0 1.986221445e-05
|
|
710 8 176.9270057 -37.86994043 -37.88970065 0.002470027945 0.0001188387659 0 1.719055862e-05
|
|
711 8 188.9104606 -38.48920664 -38.49810833 0.00111271156 9.119688438e-05 0 1.33264347e-05
|
|
712 8 158.7492019 -36.10210563 -36.09178528 0.001290043173 0.0002848419761 0 4.091188815e-05
|
|
713 8 217.9860651 -37.65045576 -37.64255672 0.0009873795248 6.493593932e-05 0 1.123763025e-05
|
|
714 8 175.5110877 -37.52996805 -37.53226806 0.0002875006528 0.0001514141509 0 2.574836666e-05
|
|
715 8 183.072822 -37.63457697 -37.61645032 0.002265830736 9.892411344e-05 0 1.345050107e-05
|
|
716 8 208.5037009 -38.34567583 -38.33706113 0.00107683771 7.851709151e-05 0 1.408871675e-05
|
|
717 8 203.2642284 -38.58030923 -38.58927092 0.001120211596 7.230597396e-05 0 9.53446803e-06
|
|
718 8 195.1625734 -38.29227381 -38.28361504 0.001082345808 7.652811428e-05 0 1.159155759e-05
|
|
719 8 199.8729233 -38.493043 -38.49831134 0.0006585422768 6.407559598e-05 0 8.479399774e-06
|
|
720 8 164.697941 -36.85345911 -36.86418265 0.001340441998 0.0002803821044 0 5.266173712e-05
|
|
721 8 191.9163409 -38.12696488 -38.12571285 0.000156504199 5.816487503e-05 0 9.852069464e-06
|
|
722 8 169.4969962 -37.1530792 -37.16018574 0.0008883171939 0.0002068690096 0 3.157884228e-05
|
|
723 8 228.1120265 -37.83539176 -37.84172597 0.0007917758966 5.288606007e-05 0 7.387867558e-06
|
|
724 8 168.8944757 -37.30742584 -37.31755842 0.001266572387 0.0002067540974 0 3.031067352e-05
|
|
725 8 180.9898447 -38.14379855 -38.15256177 0.001095403102 0.0001547628885 0 2.6007558e-05
|
|
726 8 158.9971961 -35.96380447 -35.95761802 0.000773306555 0.0002902406943 0 4.615490695e-05
|
|
727 8 151.0609459 -34.63407664 -34.61909272 0.001872990247 0.0004839774388 0 7.394500922e-05
|
|
728 8 176.4503294 -37.83687878 -37.85506345 0.002273083203 0.0001453876383 0 2.481678157e-05
|
|
729 8 181.5066021 -37.89505745 -37.89464269 5.184456951e-05 0.0001304535208 0 2.273779512e-05
|
|
730 8 203.909696 -38.59096292 -38.6013366 0.001296709644 9.473725694e-05 0 1.760538892e-05
|
|
731 8 205.1126777 -38.62972406 -38.64391104 0.001773372931 8.758993635e-05 0 1.64724254e-05
|
|
732 8 184.5445717 -38.24463437 -38.25124586 0.0008264364859 0.0001213846666 0 2.00714755e-05
|
|
733 8 199.8401153 -38.48718509 -38.49052576 0.0004175843366 7.765085505e-05 0 1.20263561e-05
|
|
734 8 223.1986796 -38.00766038 -38.00996625 0.0002882338605 8.055273928e-05 0 1.404931676e-05
|
|
735 8 199.6805693 -38.11980968 -38.12342029 0.0004513264342 4.012828056e-05 0 5.839735335e-06
|
|
736 8 252.8403791 -36.60467708 -36.60069974 0.0004971674837 4.362384574e-05 0 5.800126306e-06
|
|
737 8 198.5107918 -38.54782094 -38.55416607 0.0007931416918 8.000184379e-05 0 1.209496801e-05
|
|
738 8 240.2746556 -37.128358 -37.1201504 0.001025950319 7.195797491e-05 0 1.1192463e-05
|
|
739 8 259.7921517 -36.1790379 -36.16807589 0.00137025083 8.573003304e-05 0 1.415277961e-05
|
|
740 8 208.9685096 -38.25515919 -38.25731067 0.000268935331 6.627499102e-05 0 9.766514141e-06
|
|
741 8 177.7599007 -37.93571133 -37.94132829 0.0007021200485 0.0001203358097 0 1.993596802e-05
|
|
742 8 172.6442454 -37.3897377 -37.40288021 0.001642814274 0.0001853521293 0 2.767108655e-05
|
|
743 8 241.5000559 -37.19108656 -37.18998008 0.0001383095722 2.75830602e-05 0 3.96021157e-06
|
|
744 8 196.2156966 -38.33425153 -38.32809071 0.0007701019769 7.977237308e-05 0 1.403472188e-05
|
|
745 8 203.9057851 -38.2783152 -38.26043357 0.002235203713 6.41778381e-05 0 9.69066418e-06
|
|
746 8 199.4411869 -38.49270058 -38.50073488 0.001004287582 7.615393518e-05 0 1.148113561e-05
|
|
747 8 161.6371721 -36.55747125 -36.54552229 0.001493619989 0.0002872565515 0 5.343415228e-05
|
|
748 8 190.7988936 -38.33197551 -38.33313359 0.0001447599052 6.618494988e-05 0 7.875533044e-06
|
|
749 8 177.5846932 -38.07878066 -38.08884104 0.001257547825 0.0001186064674 0 1.669329642e-05
|
|
750 8 183.4941491 -38.13629088 -38.14896174 0.001583856897 5.201778959e-05 0 7.243755734e-06
|
|
751 8 217.0790583 -38.11878714 -38.11551751 0.0004087041441 7.383310211e-05 0 1.286451932e-05
|
|
752 8 190.5854002 -38.00960079 -38.00238369 0.000902138094 6.555280674e-05 0 9.668278668e-06
|
|
753 8 186.9273445 -38.50128215 -38.51484545 0.001695412999 4.669013513e-05 0 6.789976075e-06
|
|
754 8 163.1480345 -36.62536563 -36.63011742 0.0005939734395 0.000295030191 0 5.206343555e-05
|
|
755 8 175.7133436 -37.50201799 -37.50782974 0.0007264689701 0.0001716294008 0 2.877944465e-05
|
|
756 8 187.4352249 -38.18666586 -38.19574518 0.00113491521 0.0001175308732 0 1.941788422e-05
|
|
757 8 235.9667545 -37.4450391 -37.44663736 0.0001997823932 9.085696566e-05 0 1.57648867e-05
|
|
758 8 188.7917546 -38.50931771 -38.51944094 0.001265404259 9.936125881e-05 0 1.586155376e-05
|
|
759 8 198.6797261 -38.54672586 -38.55319409 0.0008085285025 8.454888038e-05 0 1.462421847e-05
|
|
760 8 218.5738522 -38.2510991 -38.26396663 0.001608441496 6.740287313e-05 0 9.828201e-06
|
|
761 8 197.9237998 -38.50230621 -38.5080721 0.0007207366977 6.765619092e-05 0 1.055621755e-05
|
|
762 8 202.6115429 -38.26328507 -38.26933466 0.0007561991322 8.359954139e-05 0 1.519708136e-05
|
|
763 8 161.98975 -36.52381611 -36.530783 0.0008708607857 0.0003177930759 0 5.027858984e-05
|
|
764 8 192.1771401 -38.54692629 -38.55583708 0.001113848679 7.742349417e-05 0 1.295932528e-05
|
|
765 8 167.5395855 -37.13350655 -37.13792633 0.000552472521 7.492598247e-05 0 8.678013676e-06
|
|
766 8 169.0524849 -37.03521697 -37.03710464 0.0002359593183 0.0001334417549 0 2.003996311e-05
|
|
767 8 236.4569363 -37.52667697 -37.54088985 0.001776609924 8.22186692e-05 0 1.303315207e-05
|
|
768 8 182.4185299 -38.28059671 -38.29103906 0.001305293476 0.0001514956374 0 2.670496882e-05
|
|
769 8 190.3775792 -38.06492914 -38.05365894 0.001408774408 7.758680182e-05 0 1.271879023e-05
|
|
770 8 176.8166536 -38.06265153 -38.07517253 0.001565124503 0.0001663163649 0 3.068747392e-05
|
|
771 8 194.4023596 -38.66487556 -38.67858527 0.001713714137 8.661457775e-05 0 1.481500288e-05
|
|
772 8 229.8429753 -37.49601687 -37.49215139 0.0004831846072 6.333822081e-05 0 9.855296946e-06
|
|
773 8 205.2030871 -38.40357322 -38.40770728 0.000516757088 5.213076192e-05 0 7.682992692e-06
|
|
774 8 192.603993 -38.27014377 -38.27252129 0.0002971896696 7.38870335e-05 0 1.031445177e-05
|
|
775 8 199.8416718 -38.63634052 -38.64865823 0.001539713815 7.400080446e-05 0 1.295684572e-05
|
|
776 8 206.3467645 -38.1570327 -38.13954779 0.002185614008 6.871301367e-05 0 1.111787181e-05
|
|
777 8 189.698767 -38.15854028 -38.16755307 0.001126598319 9.645526289e-05 0 1.512379649e-05
|
|
778 8 199.5217211 -38.17311574 -38.14767289 0.003180355755 8.582818323e-05 0 1.420141524e-05
|
|
# aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
779 216 5415.868678 -1039.810644 -1039.913414 0.0004757865669 0.7909020391 1.017938253 0.008877620997
|
|
780 216 5415.868678 -1039.834969 -1039.940401 0.0004881129229 0.4822068314 0.4416147911 0.006397066818
|
|
781 216 5415.868678 -1039.841664 -1039.942313 0.0004659711712 0.417446854 0.3740876674 0.006529912236
|
|
782 216 5415.868678 -1039.847258 -1039.948068 0.0004667119181 0.3369797918 0.220094134 0.006374913517
|
|
783 216 5415.868678 -1039.850764 -1039.950337 0.000460985996 0.2853281369 0.1757734766 0.006908735101
|
|
784 216 5415.868678 -1039.851674 -1039.95188 0.0004639185337 0.2824107326 0.1165465795 0.006438771617
|
|
785 216 5415.868678 -1039.852104 -1039.952499 0.000464792313 0.2915091539 0.1440125494 0.00621837422
|
|
786 216 5415.868678 -1039.853287 -1039.952996 0.0004616194518 0.279327709 0.1072842068 0.006290820018
|
|
787 216 5415.868678 -1039.719248 -1039.962403 0.001125715954 1.142080835 1.1595725 0.01185314505
|
|
788 216 5415.868678 -1039.758689 -1039.990461 0.001073019887 0.7589630964 0.4417744661 0.009896417845
|
|
789 216 5415.868678 -1039.769678 -1039.988357 0.001012401897 0.6588118379 0.3432431721 0.0105355394
|
|
790 216 5415.868678 -1039.777015 -1039.992099 0.0009957563638 0.6140432566 0.2217566222 0.01068447098
|
|
791 216 5415.868678 -1039.783784 -1039.993394 0.0009704154642 0.5769773226 0.1853806847 0.01120455326
|
|
792 216 5415.868678 -1039.785247 -1039.993081 0.0009621971323 0.5705998802 0.2083624888 0.01129813181
|
|
793 216 5415.868678 -1039.810644 -1039.913414 0.0004757865669 0.7909020391 1.017938253 0.008877620997
|
|
794 216 5415.868678 -1039.834969 -1039.940401 0.0004881129229 0.4822068314 0.4416147911 0.006397066818
|
|
795 216 5415.868678 -1039.841664 -1039.942313 0.0004659711712 0.417446854 0.3740876674 0.006529912236
|
|
796 216 5415.868678 -1039.847258 -1039.948068 0.0004667119181 0.3369797918 0.220094134 0.006374913517
|
|
797 216 5415.868678 -1039.850764 -1039.950337 0.000460985996 0.2853281369 0.1757734766 0.006908735101
|
|
798 216 5415.868678 -1039.851674 -1039.95188 0.0004639185337 0.2824107326 0.1165465795 0.006438771617
|
|
799 216 5415.868678 -1039.852104 -1039.952499 0.000464792313 0.2915091539 0.1440125494 0.00621837422
|
|
800 216 5415.868678 -1039.853287 -1039.952996 0.0004616194518 0.279327709 0.1072842068 0.006290820018
|
|
801 216 5415.868678 -1039.810644 -1039.913414 0.0004757865669 0.7909020391 1.017938253 0.008877620997
|
|
802 216 5415.868678 -1039.834969 -1039.940401 0.0004881129229 0.4822068314 0.4416147911 0.006397066818
|
|
803 216 5415.868678 -1039.841664 -1039.942313 0.0004659711712 0.417446854 0.3740876674 0.006529912236
|
|
804 216 5415.868678 -1039.847258 -1039.948068 0.0004667119181 0.3369797918 0.220094134 0.006374913517
|
|
805 216 5415.868678 -1039.850764 -1039.950337 0.000460985996 0.2853281369 0.1757734766 0.006908735101
|
|
806 216 5415.868678 -1039.851674 -1039.95188 0.0004639185337 0.2824107326 0.1165465795 0.006438771617
|
|
807 216 5415.868678 -1039.852104 -1039.952499 0.000464792313 0.2915091539 0.1440125494 0.00621837422
|
|
808 216 5415.868678 -1039.853287 -1039.952996 0.0004616194518 0.279327709 0.1072842068 0.006290820018
|
|
809 216 5415.868678 -1039.819268 -1039.947071 0.0005916813764 0.624872452 0.7413807657 0.00725775396
|
|
810 216 5415.868678 -1039.834597 -1039.966695 0.0006115676979 0.443875923 0.4245499835 0.006125317476
|
|
811 216 5415.868678 -1039.843661 -1039.974893 0.0006075557497 0.3153775525 0.2530880664 0.006828132741
|
|
812 216 5415.868678 -1039.845753 -1039.977291 0.0006089744399 0.2846087938 0.129504055 0.006137807253
|
|
813 216 5415.868678 -1039.846557 -1039.977676 0.0006070304619 0.2744068325 0.1182526597 0.006046776886
|
|
814 216 5415.868678 -1039.846982 -1039.978139 0.0006072104553 0.2699716365 0.07186824953 0.006070983728
|
|
815 216 5415.868678 -1039.847125 -1039.978057 0.0006061667646 0.2714178895 0.08924101881 0.006452667576
|
|
816 216 5415.868678 -1039.847295 -1039.978138 0.000605757457 0.2723859415 0.06099855641 0.006417255303
|
|
817 216 5415.868678 -1039.847277 -1039.977959 0.0006050105385 0.275477477 0.06363151345 0.006424634984
|
|
818 216 5415.868678 -1039.769189 -1040.021046 0.001166002186 0.6108287682 0.7322829425 0.008792704929
|
|
819 216 5415.868678 -1039.780167 -1040.03964 0.001201264672 0.4937953507 0.4170669564 0.008448518871
|
|
820 216 5415.868678 -1039.782337 -1040.046627 0.001223564315 0.5246552258 0.2544630439 0.009209959098
|
|
821 216 5415.868678 -1039.784801 -1040.048072 0.001218847384 0.5065156934 0.1307610506 0.008805721148
|
|
822 216 5415.868678 -1039.7859 -1040.047681 0.00121194936 0.5004771339 0.1384518274 0.008649317586
|
|
823 216 5415.868678 -1039.786297 -1040.048038 0.001211763549 0.5175266738 0.08134266113 0.008734707974
|
|
824 216 5415.868678 -1039.786283 -1040.047773 0.001210602895 0.5361869622 0.09315793582 0.008934266115
|
|
825 216 5415.868678 -1039.787694 -1040.047133 0.001201103558 0.5319200838 0.06687219325 0.008900714328
|
|
826 216 5415.868678 -1039.789841 -1040.045233 0.001182371712 0.5279426576 0.08595855114 0.009012427133
|
|
827 216 5415.868678 -1039.719248 -1039.962403 0.001125715954 1.142080835 1.1595725 0.01185314505
|
|
828 216 5415.868678 -1039.758689 -1039.990461 0.001073019887 0.7589630964 0.4417744661 0.009896417845
|
|
829 216 5415.868678 -1039.769678 -1039.988357 0.001012401897 0.6588118379 0.3432431721 0.0105355394
|
|
830 216 5415.868678 -1039.777015 -1039.992099 0.0009957563638 0.6140432566 0.2217566222 0.01068447098
|
|
831 216 5415.868678 -1039.783784 -1039.993394 0.0009704154642 0.5769773226 0.1853806847 0.01120455326
|
|
832 216 5415.868678 -1039.785247 -1039.993081 0.0009621971323 0.5705998802 0.2083624888 0.01129813181
|
|
# aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
833 216 5415.868678 -1045.065237 -1045.371605 0.001418370074 0.8011827975 0.2056122414 0.01076526465
|
|
834 216 5415.868678 -1045.071956 -1045.387251 0.001459698793 0.6615325231 0.5634887309 0.01282345702
|
|
835 216 5415.868678 -1045.070877 -1045.372662 0.001397149932 0.7256369713 0.1267534799 0.01087043417
|
|
836 216 5415.868678 -1045.076609 -1045.3726 0.00137033095 0.6411020587 0.1260010575 0.01128183282
|
|
837 216 5415.868678 -1045.078594 -1045.373362 0.001364665378 0.6149723911 0.1115001942 0.01106033455
|
|
838 216 5415.868678 -1045.082023 -1045.374601 0.001354528335 0.5610950265 0.200863598 0.0106963318
|
|
839 216 5415.868678 -1045.082296 -1045.374654 0.001353508745 0.5533658024 0.2537893242 0.01066799452
|
|
840 216 5415.868678 -1045.082346 -1045.375055 0.001355135062 0.5495833183 0.2678066546 0.01067179427
|
|
841 216 5415.868678 -1045.082222 -1045.37638 0.001361843041 0.5425411691 0.3115796338 0.01067403399
|
|
842 216 5415.868678 -1045.080637 -1045.37952 0.001383714639 0.5509412215 0.399180933 0.01098606129
|
|
843 216 5415.868678 -875.3019787 -875.1039748 0.0009166848205 22.55026704 21.65242249 0.1134566256
|
|
844 216 5415.868678 -891.5587943 -891.3737103 0.0008568704952 14.33898347 15.02942454 0.1413271803
|
|
845 216 5415.868678 -1045.589053 -1045.918791 0.001526565082 0.2546208844 0.08711264222 0.005239305896
|
|
846 216 5415.868678 -1045.589519 -1045.91902 0.001525469197 0.2392037486 0.05122783398 0.005238090696
|
|
847 216 5415.868678 -1045.589801 -1045.919073 0.001524407726 0.2294435805 0.051086047 0.005328222173
|
|
848 216 5415.868678 -1045.589964 -1045.919187 0.00152418416 0.2253017083 0.03946791996 0.005225366613
|
|
849 216 5415.868678 -1045.590216 -1045.919279 0.001523441838 0.2189519452 0.05102014202 0.00512629644
|
|
850 216 5415.868678 -1045.590342 -1045.919343 0.001523153797 0.2154320509 0.03612120006 0.005027088157
|
|
851 216 5415.868678 -1045.590457 -1045.919359 0.001522694831 0.2116925704 0.02945396537 0.004959816538
|
|
852 216 5415.868678 -1045.590482 -1045.919408 0.001522803801 0.2109244047 0.01787469703 0.005033824487
|
|
853 216 5415.868678 -1045.590491 -1045.919437 0.001522899309 0.2106636201 0.01385266321 0.005124193707
|
|
# aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
854 216 5415.868678 -1042.27089 -1042.707856 0.002022992477 1.251102028 1.124941462 0.01623993105
|
|
855 216 5415.868678 -1042.324133 -1042.753184 0.001986344325 0.7064813024 0.03353359845 0.0168269805
|
|
856 216 5415.868678 -1042.310725 -1042.744782 0.002009525256 0.8301447179 0.3864978695 0.01605314581
|
|
857 216 5415.868678 -1042.319122 -1042.7478 0.001984620491 0.7352771771 0.2784465482 0.0171560637
|
|
858 216 5415.868678 -1042.321582 -1042.750729 0.001986793446 0.7193992334 0.154138691 0.01680963495
|
|
859 216 5415.868678 -1042.322636 -1042.751675 0.001986293032 0.7196416437 0.1271175868 0.01672148576
|
|
860 216 5415.868678 -1042.323531 -1042.752367 0.001985350639 0.7157097062 0.07123730969 0.01674588978
|
|
861 216 5415.868678 -1042.324043 -1042.752493 0.001983566928 0.7149784256 0.08295995956 0.01685085825
|
|
862 216 5415.868678 -1042.324679 -1042.752825 0.001982157652 0.7068554096 0.05721258148 0.0169100405
|
|
863 216 5415.868678 -1042.325226 -1042.752919 0.001980058667 0.6984987004 0.06234967692 0.01703848069
|
|
864 216 5415.868678 -1042.27089 -1042.707856 0.002022992477 1.251102028 1.124941462 0.01623993105
|
|
865 216 5415.868678 -1042.324133 -1042.753184 0.001986344325 0.7064813024 0.03353359845 0.0168269805
|
|
866 216 5415.868678 -1042.310725 -1042.744782 0.002009525256 0.8301447179 0.3864978695 0.01605314581
|
|
867 216 5415.868678 -1042.319122 -1042.7478 0.001984620491 0.7352771771 0.2784465482 0.0171560637
|
|
868 216 5415.868678 -1042.321582 -1042.750729 0.001986793446 0.7193992334 0.154138691 0.01680963495
|
|
869 216 5415.868678 -1042.322636 -1042.751675 0.001986293032 0.7196416437 0.1271175868 0.01672148576
|
|
870 216 5415.868678 -1042.323531 -1042.752367 0.001985350639 0.7157097062 0.07123730969 0.01674588978
|
|
871 216 5415.868678 -1042.324043 -1042.752493 0.001983566928 0.7149784256 0.08295995956 0.01685085825
|
|
872 216 5415.868678 -1042.324679 -1042.752825 0.001982157652 0.7068554096 0.05721258148 0.0169100405
|
|
873 216 5415.868678 -1042.325226 -1042.752919 0.001980058667 0.6984987004 0.06234967692 0.01703848069
|
|
# iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
874 217 5415.868678 -1044.184743 -1044.368209 0.0008454650783 1.828402508 1.590246474 0.01172765685
|
|
875 217 5415.868678 -1044.235814 -1044.41869 0.0008427460362 0.4687641043 0.04093255819 0.01230527599
|
|
876 217 5415.868678 -1044.236038 -1044.418765 0.00084206063 0.4722561619 0.03129665068 0.0123603417
|
|
877 217 5415.868678 -1044.231472 -1044.415602 0.0008485245156 0.5462606548 0.3219369032 0.01236156157
|
|
878 217 5415.868678 -1044.233458 -1044.417297 0.0008471841354 0.4708331759 0.1309562771 0.0121415523
|
|
879 217 5415.868678 -1044.233967 -1044.417879 0.0008475235245 0.4679641222 0.08456632131 0.01216625865
|
|
880 217 5415.868678 -1044.234483 -1044.41819 0.0008465754236 0.4676022507 0.05834004719 0.01221268509
|
|
881 217 5415.868678 -1044.234656 -1044.418353 0.0008465316786 0.4698925295 0.03210812629 0.01223121179
|
|
882 217 5415.868678 -1044.234727 -1044.418397 0.0008464044069 0.4725562528 0.03769394437 0.01223242853
|
|
883 217 5415.868678 -1044.234997 -1044.418504 0.0008456537744 0.4710462197 0.03139040994 0.01223289485
|
|
884 217 5415.868678 -1044.235689 -1044.41864 0.0008430917616 0.4676713544 0.04872803704 0.01227387612
|
|
885 217 5415.868678 -1044.175041 -1044.709392 0.002462448665 0.8913992771 0.9751257662 0.01237014506
|
|
886 217 5415.868678 -1044.195525 -1044.737893 0.002499392769 0.5665449013 0.3531211174 0.01289089982
|
|
887 217 5415.868678 -1044.196928 -1044.7396 0.00250079073 0.5478316314 0.3683173175 0.013575948
|
|
888 217 5415.868678 -1044.195116 -1044.744346 0.002531013115 0.5529264229 0.1556555709 0.01330189331
|
|
889 217 5415.868678 -1044.193535 -1044.745134 0.002541934692 0.5669557437 0.1334004578 0.0135286204
|
|
890 217 5415.868678 -1044.192456 -1044.745909 0.002550473991 0.5802096018 0.07807150022 0.01322607867
|
|
891 217 5415.868678 -1044.191106 -1044.746182 0.002557955085 0.59603715 0.07664864454 0.01298175319
|
|
892 217 5415.868678 -1045.030901 -1045.289392 0.001191205327 0.770057512 0.1544435002 0.01614497527
|
|
893 217 5415.868678 -1045.031899 -1045.290273 0.001190662182 0.7694422186 0.09249652649 0.01631315639
|
|
894 217 5415.868678 -1045.032654 -1045.29058 0.001188600152 0.7731499298 0.1043850086 0.01653686526
|
|
895 217 5415.868678 -1045.034102 -1045.291072 0.001184193045 0.769901921 0.07778684432 0.01643398616
|
|
896 217 5415.868678 -1045.036171 -1045.291378 0.001176070159 0.7671255424 0.08875913387 0.01629275476
|
|
897 217 5415.868678 -1045.038112 -1045.291838 0.001169244672 0.7655007984 0.05687541319 0.0161189012
|
|
898 217 5415.868678 -1045.039305 -1045.291966 0.001164334771 0.7655094603 0.06699555054 0.01603427036
|
|
899 217 5415.868678 -1045.041637 -1045.292279 0.001155035753 0.7572024413 0.04065622818 0.01618923988
|
|
900 217 5415.868678 -1044.902894 -1045.129497 0.001044249754 1.016839085 0.7578153703 0.01550955898
|
|
901 217 5415.868678 -1044.916853 -1045.146191 0.001056859098 0.7978988179 0.2651785197 0.01539208885
|
|
902 217 5415.868678 -1044.917594 -1045.147154 0.001057876636 0.7990164255 0.272664719 0.015433689
|
|
903 217 5415.868678 -1044.920104 -1045.150105 0.001059912251 0.7910800365 0.1577057675 0.01537495497
|
|
904 217 5415.868678 -1044.921805 -1045.151247 0.001057335714 0.7908373699 0.1509006587 0.01545120428
|
|
905 217 5415.868678 -1044.567891 -1045.041747 0.002183668072 1.192031452 0.9639030481 0.01311471007
|
|
906 217 5415.868678 -1044.591669 -1045.064022 0.002176741479 0.7230183987 0.4678250268 0.01360688623
|
|
907 217 5415.868678 -1044.59177 -1045.064022 0.002176277806 0.7300708819 0.4885069345 0.01370276088
|
|
908 217 5415.868678 -1044.595861 -1045.071225 0.002190618463 0.6884381408 0.1976647031 0.01389000048
|
|
909 217 5415.868678 -1044.595909 -1045.071961 0.002193786891 0.695858181 0.1735815301 0.01415757123
|
|
910 217 5415.868678 -1044.567891 -1045.041747 0.002183668072 1.192031452 0.9639030481 0.01311471007
|
|
911 217 5415.868678 -1044.591669 -1045.064022 0.002176741479 0.7230183987 0.4678250268 0.01360688623
|
|
912 217 5415.868678 -1044.59177 -1045.064022 0.002176277806 0.7300708819 0.4885069345 0.01370276088
|
|
913 217 5415.868678 -1044.595861 -1045.071225 0.002190618463 0.6884381408 0.1976647031 0.01389000048
|
|
914 217 5415.868678 -1044.595909 -1045.071961 0.002193786891 0.695858181 0.1735815301 0.01415757123
|
|
# iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
915 217 5415.868678 -1047.852193 -1047.962871 0.0005100359816 0.5013652641 0.1666941805 0.009512518479
|
|
916 217 5415.868678 -1047.85308 -1047.963557 0.0005091081686 0.4721365411 0.062384911 0.009842656651
|
|
917 217 5415.868678 -1047.853126 -1047.963554 0.0005088873996 0.4712431427 0.06583336322 0.009892445994
|
|
918 217 5415.868678 -1047.85327 -1047.963727 0.0005090205206 0.4712413564 0.04913103115 0.009922345569
|
|
919 217 5415.868678 -1047.853396 -1047.96383 0.0005089089567 0.4761923592 0.06683339966 0.01003559346
|
|
920 217 5415.868678 -1047.853496 -1047.963947 0.0005089895459 0.4748233741 0.05616451051 0.01002068449
|
|
921 217 5415.868678 -1047.853634 -1047.964084 0.0005089858063 0.4724173411 0.04961047584 0.009979352854
|
|
922 217 5415.868678 -1047.886028 -1048.121118 0.001083361172 0.3499335569 0.2809369675 0.008526683579
|
|
923 217 5415.868678 -1047.887255 -1048.125913 0.001099806125 0.3539002349 0.06774237004 0.008124589999
|
|
924 217 5415.868678 -1047.88666 -1048.126029 0.001103086328 0.3583474852 0.08499741858 0.007853743116
|
|
925 217 5415.868678 -1047.886822 -1048.12339 0.00109017191 0.3670412519 0.1577884027 0.007991890698
|
|
926 217 5415.868678 -1047.886883 -1048.123456 0.001090198182 0.3726593905 0.1781628968 0.008192222578
|
|
927 217 5415.868678 -1047.88757 -1048.124344 0.001091125331 0.3521099013 0.09111081152 0.008329778503
|
|
928 217 5415.868678 -1047.887572 -1048.124351 0.001091145205 0.3537078814 0.09792675782 0.008366629723
|
|
929 217 5415.868678 -1047.887844 -1048.124774 0.001091845012 0.3544543617 0.07568275 0.008412942983
|
|
930 217 5415.868678 -1047.888135 -1048.125116 0.001092078508 0.3580485792 0.07452922015 0.008490218717
|
|
931 217 5415.868678 -1047.888031 -1048.125451 0.001094104162 0.3548374024 0.05461869489 0.008436327502
|
|
932 217 5415.868678 -1047.887423 -1048.125749 0.001098275763 0.3532923764 0.08069659617 0.008238022905
|
|
933 217 5415.868678 -1048.266431 -1048.650761 0.001771107081 0.4693483949 0.2177323323 0.008743446171
|
|
934 217 5415.868678 -1048.267686 -1048.651819 0.001770198847 0.4341118168 0.09934669065 0.008708470849
|
|
935 217 5415.868678 -1048.267701 -1048.651815 0.001770112511 0.4340479388 0.1011917514 0.008710907583
|
|
936 217 5415.868678 -1048.268362 -1048.652225 0.001768953933 0.4333268106 0.07297778791 0.008614743181
|
|
937 217 5415.868678 -1048.26924 -1048.652465 0.001766016766 0.4346957 0.09805056398 0.0085935392
|
|
938 217 5415.868678 -1048.270144 -1048.6528 0.001763393989 0.4301755272 0.07826885322 0.008525945598
|
|
939 217 5415.868678 -1048.260012 -1048.646292 0.001780093447 0.5474505041 0.2128658241 0.009620049978
|
|
940 217 5415.868678 -1048.262137 -1048.64733 0.001775083744 0.4932461467 0.09943664187 0.009661777697
|
|
941 217 5415.868678 -1048.262196 -1048.647328 0.001774801005 0.4919495355 0.1036313663 0.009666018558
|
|
942 217 5415.868678 -1048.262974 -1048.647762 0.001773218691 0.4917690604 0.07611764095 0.009551563513
|
|
943 217 5415.868678 -1048.264118 -1048.648045 0.001769245821 0.4942348753 0.1081873822 0.009449098363
|
|
944 217 5415.868678 -1048.265157 -1048.648374 0.001765976205 0.4858673 0.09237285975 0.009441491522
|
|
945 217 5415.868678 -1047.933818 -1048.20699 0.001258856199 0.4160705024 0.2151057956 0.01011338132
|
|
946 217 5415.868678 -1047.940094 -1048.210499 0.00124610486 0.4059624543 0.02549285035 0.0100593397
|
|
947 217 5415.868678 -1047.934322 -1048.208565 0.001263792839 0.4254462181 0.1244230481 0.00990894573
|
|
948 217 5415.868678 -1047.934492 -1048.208999 0.001265007341 0.4452671906 0.1167395518 0.01019928978
|
|
949 217 5415.868678 -1047.935798 -1048.209563 0.001261589654 0.4342752143 0.07604204528 0.009928400566
|
|
950 217 5415.868678 -1047.937186 -1048.20979 0.001256243748 0.4246113704 0.07088630399 0.009806282275
|
|
951 217 5415.868678 -1047.938323 -1048.210046 0.001252176321 0.4088385509 0.04610705322 0.009994059759
|
|
952 217 5415.868678 -1047.939348 -1048.210101 0.001247708359 0.3948563471 0.05938067539 0.01023162132
|
|
953 217 5415.868678 -1047.939736 -1048.210298 0.001246825372 0.3976762872 0.0418114201 0.01016493304
|
|
954 217 5415.868678 -1047.939953 -1048.210352 0.001246080284 0.4002029933 0.04570540702 0.009991095965
|
|
955 217 5415.868678 -1047.226291 -1046.891795 0.001541455378 0.608582613 0.1700518373 0.008080775031
|
|
956 217 5415.868678 -1047.241903 -1046.896057 0.001593758661 0.5692634881 0.02034620982 0.008741298663
|
|
957 217 5415.868678 -1047.242465 -1046.89605 0.001596381014 0.5676725671 0.02580251953 0.008717755728
|
|
958 217 5415.868678 -1047.22698 -1046.892878 0.001539637807 0.6131996947 0.1187286726 0.008182578464
|
|
959 217 5415.868678 -1047.227893 -1046.893467 0.001541132721 0.6217480053 0.1479406956 0.008945248117
|
|
960 217 5415.868678 -1047.230507 -1046.894322 0.001549239764 0.6119420002 0.1167119712 0.008854037374
|
|
961 217 5415.868678 -1047.237383 -1046.895491 0.001575539594 0.5871644373 0.08258878379 0.008688385889
|
|
962 217 5415.868678 -1047.239683 -1046.895856 0.001584455727 0.5750487946 0.04173884989 0.008596574072
|
|
963 217 5415.868678 -1047.24048 -1046.895895 0.001587950505 0.57093723 0.04118416521 0.008563010429
|
|
964 217 5415.868678 -1047.240993 -1046.895999 0.00158983444 0.5708347811 0.02244058595 0.008663137449
|
|
965 217 5415.868678 -1047.241323 -1046.896018 0.001591267755 0.5710052659 0.02951170575 0.008760871394
|
|
966 217 5415.868678 -1047.853049 -1047.962887 0.0005061669097 0.4939668339 0.1640326518 0.009352661605
|
|
967 217 5415.868678 -1047.853799 -1047.963621 0.0005060913984 0.4748471123 0.06859171758 0.009669181958
|
|
968 217 5415.868678 -1047.853847 -1047.963624 0.0005058849329 0.4751436756 0.07541819671 0.00972487534
|
|
969 217 5415.868678 -1047.854132 -1047.963809 0.0005054255278 0.4719882762 0.05603855868 0.009756154249
|
|
970 217 5415.868678 -1047.854451 -1047.963984 0.000504761962 0.472087199 0.07159590343 0.009863054752
|
|
971 217 5415.868678 -1047.854595 -1047.964158 0.0005048987627 0.4698637611 0.05239334705 0.009822507098
|
|
972 217 5415.868678 -1047.854696 -1047.964298 0.0005050818745 0.4676615916 0.04998721177 0.009744523403
|
|
973 217 5415.868678 -1047.935194 -1048.207636 0.001255493031 0.4130803151 0.2107035176 0.01003269997
|
|
974 217 5415.868678 -1047.939841 -1048.210544 0.001247478938 0.4054199814 0.02276257474 0.00994443386
|
|
975 217 5415.868678 -1047.940127 -1048.210581 0.001246330013 0.4082806002 0.0347022053 0.009935953443
|
|
976 217 5415.868678 -1047.935743 -1048.20913 0.001259845384 0.4214290551 0.1138751307 0.00989575498
|
|
977 217 5415.868678 -1047.935945 -1048.209503 0.001260637969 0.4367400548 0.1048268015 0.01019631041
|
|
978 217 5415.868678 -1047.937026 -1048.209977 0.001257838096 0.4270479681 0.06440798169 0.009992645191
|
|
979 217 5415.868678 -1047.938924 -1048.210069 0.001249513712 0.4143094546 0.09181000988 0.009801772211
|
|
980 217 5415.868678 -1047.939503 -1048.210334 0.001248068364 0.4045315366 0.0472477842 0.01022639869
|
|
981 217 5415.868678 -1047.939467 -1048.210341 0.001248266703 0.4051819074 0.04343080238 0.01019211252
|
|
982 217 5415.868678 -1047.939563 -1048.210453 0.001248340352 0.4043065213 0.02592953378 0.01005555968
|
|
983 217 5415.868678 -1047.939602 -1048.210475 0.001248262226 0.4041181274 0.03036606273 0.0099843542
|
|
984 217 5415.868678 -1047.449786 -1047.556397 0.0004912932088 0.5874000412 0.2219852875 0.01108824183
|
|
985 217 5415.868678 -1047.458409 -1047.558337 0.0004605008031 0.5616157532 0.02097634267 0.01128829152
|
|
986 217 5415.868678 -1047.458869 -1047.558346 0.0004584213876 0.5593300785 0.02774914188 0.01128977418
|
|
987 217 5415.868678 -1047.451189 -1047.557624 0.0004904837575 0.5842610666 0.06408359988 0.01126392729
|
|
988 217 5415.868678 -1047.451205 -1047.557624 0.0004904139596 0.5849361049 0.06428820445 0.01131715683
|
|
989 217 5415.868678 -1047.452097 -1047.557789 0.0004870622675 0.5783250944 0.04599249524 0.01130845831
|
|
990 217 5415.868678 -1047.453446 -1047.557881 0.000481265604 0.5691915904 0.0604720343 0.01132764633
|
|
991 217 5415.868678 -1047.454329 -1047.558001 0.0004777505231 0.5670847463 0.04955803213 0.01136597558
|
|
992 217 5415.868678 -1047.456853 -1047.558168 0.000466888659 0.5614805928 0.03898771179 0.01141916284
|
|
993 217 5415.868678 -1047.457214 -1047.558246 0.0004655853978 0.5630692781 0.02526134694 0.01136724356
|
|
994 217 5415.868678 -1047.457655 -1047.558285 0.0004637356792 0.5656205837 0.03121301858 0.01130134474
|
|
995 217 5415.868678 -1047.269385 -1047.199833 0.0003205154023 0.3745378729 0.1094295726 0.008598757817
|
|
996 217 5415.868678 -1047.270089 -1047.200383 0.0003212280743 0.3688643359 0.0725054687 0.00853668179
|
|
997 217 5415.868678 -1047.27094 -1047.200815 0.0003231607183 0.3665577552 0.06576947468 0.008423617014
|
|
998 217 5415.868678 -1047.271583 -1047.201052 0.0003250282383 0.3631048936 0.04258302345 0.008608100922
|
|
999 217 5415.868678 -1047.272343 -1047.201187 0.0003279091949 0.360177089 0.04583802548 0.008870864532
|
|
1000 217 5415.868678 -1047.27298 -1047.201282 0.0003304024491 0.3538784067 0.0222291738 0.008622687461
|
|
1001 217 5415.868678 -1047.27331 -1047.201287 0.0003319015146 0.3511530768 0.02343844764 0.008496104105
|
|
1002 217 5415.868678 -1047.273728 -1047.201326 0.0003336513261 0.3458291977 0.01731841477 0.008517037878
|
|
1003 217 5415.868678 -1047.27439 -1047.20132 0.0003367279963 0.3373922537 0.03172999738 0.008759874904
|
|
1004 217 5415.868678 -1048.07979 -1048.350803 0.001248907585 0.8772590341 0.3293338275 0.01335454644
|
|
1005 217 5415.868678 -1048.086785 -1048.353641 0.001229751113 0.8144461218 0.1576327256 0.01374300407
|
|
1006 217 5415.868678 -1048.088087 -1048.353731 0.001224167748 0.8098111003 0.1782837436 0.01384195361
|
|
1007 217 5415.868678 -1048.093041 -1048.354993 0.001207154155 0.782900244 0.1279739886 0.01383120831
|
|
1008 217 5415.868678 -1048.099935 -1048.355858 0.001179369985 0.7575092544 0.1748097437 0.01382451486
|
|
1009 217 5415.868678 -1048.254855 -1048.645441 0.001799934637 0.5461634557 0.2062737777 0.009423775438
|
|
1010 217 5415.868678 -1048.257201 -1048.646427 0.001793665072 0.4905414811 0.102252127 0.009359357708
|
|
1011 217 5415.868678 -1048.257336 -1048.646423 0.001793025481 0.4877119975 0.1082905235 0.009373312079
|
|
1012 217 5415.868678 -1048.258432 -1048.646912 0.00179022976 0.4874910691 0.082360134 0.009272188054
|
|
1013 217 5415.868678 -1048.260401 -1048.647309 0.001782987172 0.4900235207 0.1221519993 0.009289810955
|
|
1014 217 5415.868678 -1048.261557 -1048.647665 0.001779302268 0.4824933854 0.1072878071 0.009268532972
|
|
# s_aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1015 64 1604.70183 -304.1810578 -304.1183733 0.000979444958 1.565562819 2.305478012 0.05504036739
|
|
1016 64 1604.70183 -304.3914297 -304.3336151 0.0009033523218 0.2562462447 0.2453241073 0.0119869509
|
|
1017 64 1604.70183 -304.3939862 -304.3359385 0.0009069956376 0.2786977451 0.297290712 0.01125331534
|
|
1018 64 1604.70183 -304.3987888 -304.3410358 0.0009023912827 0.2327643605 0.1889651571 0.008656926135
|
|
1019 64 1604.70183 -304.4001024 -304.3415103 0.0009155016165 0.2370283704 0.2390069121 0.009561431797
|
|
1020 64 1604.70183 -304.4044167 -304.3453396 0.0009230804366 0.1861803381 0.1580702694 0.008988161669
|
|
1021 64 1604.70183 -304.4059606 -304.345879 0.0009387754688 0.1877930973 0.2095346853 0.009957099305
|
|
1022 64 1604.70183 -304.4085447 -304.3486891 0.0009352437217 0.1529533786 0.1167269161 0.008850091981
|
|
1023 64 1604.70183 -304.4086229 -304.3486878 0.0009364861814 0.1542170297 0.1257882307 0.008955285762
|
|
1024 64 1604.70183 -304.4094023 -304.3496753 0.0009332342016 0.1478572181 0.08656506058 0.008252333524
|
|
1025 64 1604.70183 -304.4094203 -304.3496649 0.0009336784101 0.1505620901 0.09839553946 0.008272243098
|
|
1026 64 1604.70183 -304.2893512 -304.2685389 0.0003251921425 0.7805503989 0.7739179453 0.02014435534
|
|
1027 64 1604.70183 -304.4099237 -304.35005 0.0009355261606 0.1451909122 0.05548809965 0.007851391254
|
|
1028 64 1604.70183 -304.4099284 -304.3500317 0.0009358860382 0.1456942436 0.05817914918 0.007852882979
|
|
1029 64 1604.70183 -304.4102753 -304.3500689 0.0009407234481 0.1410847194 0.04746432576 0.007800267229
|
|
1030 64 1604.70183 -304.4103082 -304.350039 0.0009417060525 0.1411746083 0.05392276555 0.007858185148
|
|
1031 64 1604.70183 -304.4105893 -304.3501572 0.0009442524844 0.1382642008 0.04149611324 0.007700916748
|
|
1032 64 1604.70183 -304.4108747 -304.3500998 0.0009496069082 0.1388544405 0.06573590905 0.007839516774
|
|
1033 64 1604.70183 -304.4110173 -304.3502019 0.000950240379 0.1359830026 0.04268446609 0.00776408057
|
|
1034 64 1604.70183 -304.411117 -304.3501966 0.0009518808133 0.1355279241 0.03759303824 0.007852380167
|
|
1035 64 1604.70183 -304.4111365 -304.3502444 0.0009514397422 0.1368820509 0.0266449967 0.007662814428
|
|
1036 64 1604.70183 -304.4111094 -304.3502394 0.0009510928613 0.1415642041 0.03983014607 0.00753365918
|
|
1037 64 1604.70183 -304.3044674 -304.2786375 0.0004035918184 0.6693830466 0.6274608625 0.01997026446
|
|
1038 64 1604.70183 -304.4111519 -304.3502727 0.0009512376563 0.1419549847 0.03407361622 0.007460771645
|
|
1039 64 1604.70183 -304.4111999 -304.350279 0.0009518894735 0.1449090461 0.03649228113 0.007407456582
|
|
1040 64 1604.70183 -304.4113436 -304.3503264 0.0009533942305 0.1413619557 0.02060734287 0.00736747541
|
|
1041 64 1604.70183 -304.4114384 -304.3503244 0.0009549063755 0.1392911987 0.02262962547 0.00742911823
|
|
1042 64 1604.70183 -304.3221042 -304.2930629 0.0004537705988 0.5760762113 0.4591655993 0.01731048318
|
|
1043 64 1604.70183 -304.3451843 -304.302465 0.0006674885204 0.4942267195 0.5271467328 0.02010562094
|
|
1044 64 1604.70183 -304.3600346 -304.3134536 0.0007278290611 0.3963970481 0.3510297438 0.01700717648
|
|
1045 64 1604.70183 -304.3719655 -304.3167565 0.0008626404109 0.3460453145 0.3867991703 0.01666784304
|
|
1046 64 1604.70183 -304.3803571 -304.3243676 0.0008748353046 0.2858485625 0.2703584674 0.01411772661
|
|
1047 64 1604.70183 -304.3857749 -304.3264944 0.0009262574946 0.2943352792 0.3661117953 0.01544981275
|
|
1048 64 1604.70183 -304.3203419 -304.2154142 0.001639495284 1.132559663 1.908531017 0.04661466493
|
|
1049 64 1604.70183 -304.4087592 -304.3466019 0.0009712073638 0.164350885 0.1267964189 0.008569368749
|
|
1050 64 1604.70183 -304.4086105 -304.346789 0.0009659614019 0.17258252 0.1407880367 0.008806210037
|
|
1051 64 1604.70183 -304.4094225 -304.3482432 0.0009559257798 0.1621468738 0.08364019503 0.007764496733
|
|
1052 64 1604.70183 -304.4095427 -304.3484492 0.0009545855204 0.167423485 0.1088728733 0.00804110084
|
|
1053 64 1604.70183 -304.4104756 -304.3493906 0.0009544522005 0.1537572433 0.07352911164 0.007901719266
|
|
1054 64 1604.70183 -304.4107687 -304.3495352 0.000956772688 0.1526958611 0.094011125 0.00833144957
|
|
1055 64 1604.70183 -304.4114607 -304.3501963 0.0009572551358 0.1394870977 0.03544713083 0.007540988176
|
|
1056 64 1604.70183 -304.4114928 -304.3502027 0.0009576570815 0.1392254062 0.03877790682 0.007589267544
|
|
1057 64 1604.70183 -304.4116225 -304.3502773 0.0009585185359 0.1363111831 0.02709318802 0.007650206883
|
|
1058 64 1604.70183 -304.4116087 -304.350282 0.0009582306933 0.1364119281 0.02146921678 0.00758069344
|
|
1059 64 1604.70183 -304.3831406 -304.3175555 0.001024766884 0.4324688213 0.5662425474 0.01425419375
|
|
1060 64 1604.70183 -304.3886378 -304.3233002 0.001020900355 0.3641434397 0.4481290039 0.01314081229
|
|
1061 64 1604.70183 -304.3947813 -304.3306785 0.001001607044 0.2802807327 0.2795396786 0.01016173376
|
|
1062 64 1604.70183 -304.3992135 -304.3336518 0.001024401784 0.2325191123 0.2667651444 0.01152162681
|
|
1063 64 1604.70183 -304.4021824 -304.3370519 0.00101766548 0.1968594687 0.1924812547 0.0106166603
|
|
1064 64 1604.70183 -304.4051593 -304.3391477 0.00103143022 0.1860740521 0.2418722263 0.01186097429
|
|
1065 64 1604.70183 -304.4070928 -304.342178 0.001014294013 0.1589730052 0.1716629176 0.0104111626
|
|
1066 64 1604.70183 -304.4081054 -304.3442946 0.000997043573 0.1725145231 0.2018779887 0.009531803779
|
|
1067 64 1604.70183 -304.3374115 -304.2640743 0.001145893536 0.8593848916 1.396101735 0.03289999643
|
|
1068 64 1604.70183 -304.4038483 -304.3490246 0.0008566193937 0.1623668526 0.09932478683 0.008317030426
|
|
1069 64 1604.70183 -304.4045113 -304.3488221 0.0008701438249 0.1821623357 0.1438079047 0.008319724581
|
|
1070 64 1604.70183 -304.4056646 -304.349352 0.0008798828855 0.1721851651 0.09614615623 0.007722871259
|
|
1071 64 1604.70183 -304.4067312 -304.3493327 0.0008968528483 0.171390117 0.0925277669 0.007610427826
|
|
1072 64 1604.70183 -304.407749 -304.3496936 0.0009071161262 0.1562482404 0.06338859632 0.007737958216
|
|
1073 64 1604.70183 -304.4087415 -304.3497312 0.0009220368601 0.1456177155 0.08614316355 0.008484713084
|
|
1074 64 1604.70183 -304.408934 -304.3500268 0.000920425281 0.1482217198 0.06542982386 0.00792611151
|
|
1075 64 1604.70183 -304.4089371 -304.3500416 0.0009202421841 0.146274298 0.05506129626 0.007891625734
|
|
1076 64 1604.70183 -304.4092348 -304.3502275 0.0009219887469 0.1446278987 0.04561884242 0.007891140553
|
|
1077 64 1604.70183 -304.4097258 -304.3502694 0.0009290072404 0.147983012 0.08354333774 0.008391650751
|
|
1078 64 1604.70183 -304.3756765 -304.326355 0.00077064893 0.4458053223 0.578792049 0.01483374011
|
|
1079 64 1604.70183 -304.4098813 -304.3503325 0.0009304489127 0.1453988948 0.0724799242 0.00827571567
|
|
1080 64 1604.70183 -304.4102471 -304.3503793 0.000935434344 0.1399931422 0.05049620186 0.007943134057
|
|
1081 64 1604.70183 -304.4102961 -304.3504279 0.0009354412993 0.1388303952 0.04120066338 0.007857301788
|
|
1082 64 1604.70183 -304.4103753 -304.3504582 0.0009362042933 0.1377169984 0.0366293139 0.007700661541
|
|
1083 64 1604.70183 -304.4104263 -304.3504801 0.0009366597817 0.1370578004 0.02817199712 0.007737192901
|
|
1084 64 1604.70183 -304.410488 -304.350421 0.0009385468595 0.1387924933 0.04689948858 0.008028628893
|
|
1085 64 1604.70183 -304.410507 -304.3504164 0.0009389148715 0.1391736581 0.04395007538 0.007996408568
|
|
1086 64 1604.70183 -304.4105465 -304.3503903 0.0009399407909 0.1406110205 0.03544340682 0.007809097533
|
|
1087 64 1604.70183 -304.4105833 -304.3504112 0.000940188535 0.1399006382 0.02819657383 0.007731113923
|
|
1088 64 1604.70183 -304.410652 -304.3504197 0.0009411290791 0.1397642518 0.03228016109 0.007627455669
|
|
1089 64 1604.70183 -304.3833188 -304.3352632 0.0007508690733 0.3600649527 0.450703478 0.01294421781
|
|
1090 64 1604.70183 -304.3899764 -304.3426703 0.0007391572821 0.2750258941 0.269858148 0.009013439042
|
|
1091 64 1604.70183 -304.394128 -304.3449414 0.000768540943 0.241732988 0.2579784508 0.01043231648
|
|
1092 64 1604.70183 -304.3973982 -304.34731 0.0007826278456 0.1999539348 0.1648922505 0.00905513604
|
|
1093 64 1604.70183 -304.3999625 -304.3474875 0.0008199222086 0.178852124 0.1803554071 0.0100510914
|
|
1094 64 1604.70183 -304.4017867 -304.3485934 0.0008311458048 0.155905432 0.1129201486 0.009114515139
|
|
1095 64 1604.70183 -304.4027454 -304.3483492 0.0008499406894 0.1599510911 0.1350301486 0.009123434301
|
|
1096 64 1604.70183 -304.2342904 -304.200768 0.0005237877183 1.184801614 1.819144301 0.04227488553
|
|
1097 64 1604.70183 -304.379536 -304.3500865 0.0004601484482 0.248823938 0.1781286592 0.01071446612
|
|
1098 64 1604.70183 -304.3852399 -304.3487458 0.0005702204154 0.2592557349 0.2557877428 0.01057204187
|
|
1099 64 1604.70183 -304.3908201 -304.3497132 0.0006422956907 0.2245437714 0.1685316444 0.008577532973
|
|
1100 64 1604.70183 -304.3960612 -304.3482204 0.0007475124083 0.214711149 0.1810683098 0.008388015565
|
|
1101 64 1604.70183 -304.3997962 -304.3489849 0.0007939279156 0.1820345457 0.1209871218 0.008209830032
|
|
1102 64 1604.70183 -304.4023642 -304.348199 0.0008463322383 0.1791625778 0.1869501129 0.009648634662
|
|
1103 64 1604.70183 -304.4048597 -304.3488678 0.0008748744252 0.1585420355 0.1442073789 0.009142488277
|
|
1104 64 1604.70183 -304.4079485 -304.34865 0.0009265387397 0.1465227686 0.1459071245 0.009291798379
|
|
1105 64 1604.70183 -304.4089874 -304.3497252 0.0009259724193 0.137105284 0.08860906191 0.008593245474
|
|
1106 64 1604.70183 -304.4093795 -304.3498542 0.0009300830051 0.1491361618 0.1194539436 0.008927223348
|
|
1107 64 1604.70183 -304.3000459 -304.3035592 5.489612037e-05 0.6350756479 0.7503816521 0.01908753911
|
|
1108 64 1604.70183 -304.4098855 -304.3503282 0.0009305837374 0.1460304489 0.0588052323 0.007974604197
|
|
1109 64 1604.70183 -304.4098943 -304.3502574 0.0009318263673 0.1497637818 0.06564837125 0.007807425121
|
|
1110 64 1604.70183 -304.4102331 -304.3502904 0.0009366053825 0.1445113033 0.04628024245 0.007575908222
|
|
1111 64 1604.70183 -304.4103189 -304.3502211 0.0009390281906 0.1443888189 0.05833414675 0.007620060573
|
|
1112 64 1604.70183 -304.4106679 -304.3503077 0.00094312906 0.1398911665 0.03940909731 0.007662931469
|
|
1113 64 1604.70183 -304.4109044 -304.3502268 0.00094808756 0.1392819292 0.05597878554 0.007885214581
|
|
1114 64 1604.70183 -304.4111524 -304.3503044 0.0009507496075 0.1349655691 0.03320318545 0.007727052487
|
|
1115 64 1604.70183 -304.4112293 -304.3502741 0.0009524264034 0.1344176318 0.04045773374 0.007806332857
|
|
1116 64 1604.70183 -304.4112881 -304.3503404 0.0009523085086 0.134910309 0.02473106492 0.007621615677
|
|
1117 64 1604.70183 -304.4112809 -304.3503155 0.0009525843866 0.1371641741 0.03600013931 0.007577536629
|
|
1118 64 1604.70183 -304.3104296 -304.3154027 7.77047599e-05 0.5922020798 0.6793914655 0.01925825016
|
|
1119 64 1604.70183 -304.4112774 -304.3503299 0.0009523039663 0.1396302819 0.02419966905 0.007443647096
|
|
1120 64 1604.70183 -304.4112756 -304.3503274 0.0009523148226 0.1397746 0.02469985988 0.007443271526
|
|
1121 64 1604.70183 -304.3260453 -304.3327701 0.0001050752227 0.5024468837 0.4354527263 0.01523403567
|
|
1122 64 1604.70183 -304.3373255 -304.3397328 3.761365154e-05 0.4986605737 0.4426639499 0.01638593328
|
|
1123 64 1604.70183 -304.3495573 -304.3467402 4.401799522e-05 0.4122893049 0.2665571133 0.01298891811
|
|
1124 64 1604.70183 -304.3585048 -304.3468491 0.000182120248 0.3675834866 0.284577944 0.01318420378
|
|
1125 64 1604.70183 -304.36659 -304.3493543 0.0002693080732 0.3048365351 0.1894246511 0.01188901918
|
|
1126 64 1604.70183 -304.3727498 -304.3482961 0.0003820893069 0.2792738734 0.2496174364 0.01238798495
|
|
1127 64 1604.70183 -304.3741942 -304.2953059 0.001232629551 0.7003527696 1.159131838 0.02992619509
|
|
1128 64 1604.70183 -304.4004853 -304.3391168 0.0009588829549 0.3664357635 0.4811979703 0.01305363772
|
|
1129 64 1604.70183 -304.4067407 -304.346488 0.0009414496219 0.2605328793 0.2926965945 0.009242266699
|
|
1130 64 1604.70183 -304.4096809 -304.3494364 0.0009413202506 0.1888359994 0.1251155094 0.006745189005
|
|
1131 64 1604.70183 -304.4107347 -304.3497882 0.0009522881571 0.1633615494 0.1004341895 0.00757853201
|
|
1132 64 1604.70183 -304.4113387 -304.3501299 0.0009563884611 0.1443290546 0.04727131497 0.007499867237
|
|
1133 64 1604.70183 -304.4116073 -304.3501685 0.0009599808432 0.1358240848 0.04241239203 0.007602053204
|
|
1134 64 1604.70183 -304.4116752 -304.3502635 0.0009595571135 0.1333643305 0.02432923322 0.007543144243
|
|
1135 64 1604.70183 -304.4117148 -304.3503013 0.0009595871775 0.1318824038 0.02105703398 0.007609023488
|
|
# s_aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1136 64 1604.70183 -309.5939749 -309.5645615 0.0004595844058 1.042481962 1.174034422 0.04230934198
|
|
1137 64 1604.70183 -309.6874613 -309.6192877 0.001065213663 0.7106288561 0.2107551128 0.02879652225
|
|
1138 64 1604.70183 -309.7092957 -309.6178884 0.001428239714 0.8449996686 0.3533983686 0.02922896373
|
|
1139 64 1604.70183 -309.7578271 -309.6208873 0.002139684438 1.099469749 0.8490534251 0.03107201495
|
|
1140 64 1604.70183 -309.8528476 -309.7123879 0.002194683284 1.37279268 1.843144508 0.03966207599
|
|
1141 64 1604.70183 -309.7939091 -309.7689498 0.000389989035 1.65001414 2.44211318 0.071667575
|
|
1142 64 1604.70183 -309.8870529 -309.8072173 0.001247431644 1.410933438 2.164385201 0.05176980126
|
|
1143 64 1604.70183 -309.8611062 -309.8197081 0.0006468441883 1.487036798 2.255019865 0.06269289964
|
|
1144 64 1604.70183 -309.8811366 -309.8236384 0.0008984089001 1.435099033 2.203594228 0.05692002977
|
|
1145 64 1604.70183 -309.8809852 -309.8238835 0.0008922145475 1.435348376 2.20362982 0.05701200061
|
|
1146 64 1604.70183 -309.8805037 -309.8245826 0.000873766029 1.436237894 2.203531171 0.05726841126
|
|
1147 64 1604.70183 -309.6268622 -309.6085506 0.000286119352 0.7444745074 0.5078419856 0.02942035253
|
|
1148 64 1604.70183 -309.8794933 -309.8258097 0.0008388056284 1.437980235 2.20380512 0.05779115605
|
|
1149 64 1604.70183 -309.8769301 -309.8275635 0.0007713527711 1.442682302 2.20431713 0.05881236131
|
|
1150 64 1604.70183 -309.8698617 -309.828368 0.0006483385207 1.456639361 2.20988047 0.06076841279
|
|
1151 64 1604.70183 -309.8745659 -309.8282987 0.0007229249008 1.447218673 2.205565897 0.05956045903
|
|
1152 64 1604.70183 -309.8751502 -309.8292816 0.0007166965932 1.444468625 2.200711234 0.05942732844
|
|
1153 64 1604.70183 -309.876894 -309.8322164 0.0006980870326 1.436264194 2.185999735 0.05904323675
|
|
1154 64 1604.70183 -309.8803882 -309.8380237 0.0006619456023 1.419646393 2.156043025 0.05824731629
|
|
1155 64 1604.70183 -309.8872064 -309.8493878 0.0005909150198 1.386801415 2.094604659 0.05657607995
|
|
1156 64 1604.70183 -309.9002551 -309.8711276 0.0004551168635 1.322171922 1.974304378 0.05339947698
|
|
1157 64 1604.70183 -309.9240776 -309.9105879 0.0002107757394 1.19776339 1.739494388 0.04709599765
|
|
1158 64 1604.70183 -309.6353053 -309.6153095 0.0003124340142 0.6515553087 0.3247832504 0.0256553114
|
|
1159 64 1604.70183 -309.9624219 -309.9735887 0.0001744802149 0.9779995459 1.308701431 0.037387175
|
|
1160 64 1604.70183 -310.0017011 -310.0361345 0.0005380220477 0.7796196518 0.8981766384 0.02552330356
|
|
1161 64 1604.70183 -310.0036433 -310.0386054 0.0005462838527 0.8044175135 0.9679520871 0.02733703179
|
|
1162 64 1604.70183 -310.0147022 -310.0539583 0.0006133766872 0.7631750769 0.8749575048 0.02497782373
|
|
1163 64 1604.70183 -310.0419513 -310.0904039 0.0007570714943 0.6658632104 0.6430068668 0.02186984026
|
|
1164 64 1604.70183 -310.0696721 -310.1198924 0.0007846920739 0.6426457317 0.6616123356 0.02409482588
|
|
1165 64 1604.70183 -310.0858936 -310.1379828 0.0008138945053 0.5636695964 0.4935629591 0.01951872544
|
|
1166 64 1604.70183 -310.1078798 -310.1566017 0.0007612796268 0.5159424689 0.5032513707 0.01820581723
|
|
1167 64 1604.70183 -310.1216269 -310.1695802 0.0007492714497 0.4259260314 0.2617804208 0.01498323686
|
|
1168 64 1604.70183 -310.1262876 -310.1723392 0.0007195563892 0.4320999994 0.2705581096 0.01582296934
|
|
1169 64 1604.70183 -309.6420044 -309.6183459 0.0003696629115 0.6050675443 0.2305600362 0.02533957486
|
|
1170 64 1604.70183 -310.1329636 -310.1769834 0.0006878102971 0.3577127484 0.170313541 0.01434735469
|
|
1171 64 1604.70183 -310.1376041 -310.1787788 0.0006433541387 0.3071334389 0.1972305034 0.0145953777
|
|
1172 64 1604.70183 -310.1416715 -310.1815303 0.0006227938459 0.247095619 0.1251851177 0.01245295081
|
|
1173 64 1604.70183 -310.1432931 -310.1820678 0.0006058547817 0.230665764 0.1585959534 0.01225888942
|
|
1174 64 1604.70183 -310.145626 -310.1841624 0.0006021327372 0.2036063869 0.09967902361 0.01131568894
|
|
1175 64 1604.70183 -310.1465841 -310.1846642 0.0005950019602 0.1976077111 0.1273746281 0.01174730572
|
|
1176 64 1604.70183 -310.1471679 -310.1859281 0.0006056283475 0.2128606688 0.07082877443 0.01086160194
|
|
1177 64 1604.70183 -310.147121 -310.1859591 0.0006068450796 0.2189356958 0.08070849483 0.01074889747
|
|
1178 64 1604.70183 -310.1476366 -310.1863376 0.0006047024658 0.2121390985 0.04493171576 0.01145685728
|
|
1179 64 1604.70183 -310.1476 -310.1863486 0.0006054478588 0.2119842405 0.03516103194 0.01128021348
|
|
1180 64 1604.70183 -309.6512902 -309.6188774 0.0005064491428 0.5585152028 0.2627178404 0.02741256001
|
|
1181 64 1604.70183 -310.1478203 -310.1864675 0.0006038638655 0.2083655474 0.025736163 0.01110242738
|
|
1182 64 1604.70183 -310.1479637 -310.1865067 0.0006022333986 0.2066238608 0.0378189683 0.0110066539
|
|
1183 64 1604.70183 -310.1481849 -310.1865935 0.0006001338932 0.2013276347 0.02376550031 0.0110268911
|
|
1184 64 1604.70183 -310.1483978 -310.1866387 0.0005975145907 0.1965173334 0.02528965919 0.01112111085
|
|
1185 64 1604.70183 -310.1485247 -310.1866817 0.0005962046546 0.1944791722 0.01685182506 0.01104102169
|
|
1186 64 1604.70183 -310.1486108 -310.1866935 0.0005950416497 0.1933466436 0.02352505679 0.01109009851
|
|
1187 64 1604.70183 -309.6583744 -309.6208955 0.0005856069534 0.5397504393 0.1627840742 0.02637764289
|
|
1188 64 1604.70183 -309.6654669 -309.6203363 0.0007051655972 0.5676374975 0.1825192619 0.02582782848
|
|
1189 64 1604.70183 -309.6719257 -309.620892 0.0007974018076 0.6002586829 0.1336064543 0.0260690822
|
|
1190 64 1604.70183 -309.6806101 -309.6193699 0.0009568793986 0.6689305421 0.2090184596 0.02873655977
|
|
1191 64 1604.70183 -309.5605312 -310.0309165 0.007349769088 0.9967984799 0.8565470368 0.03475570827
|
|
1192 64 1604.70183 -309.6060192 -310.0664563 0.007194329335 0.6339022122 0.03680205134 0.03522978684
|
|
1193 64 1604.70183 -309.6068663 -310.0665204 0.007182096547 0.6264560805 0.0486802411 0.03521236941
|
|
1194 64 1604.70183 -309.60665 -310.0666919 0.007188155192 0.627312282 0.02927834268 0.03473339461
|
|
1195 64 1604.70183 -309.6064923 -310.066714 0.007190963717 0.6283123971 0.03451481121 0.03464048645
|
|
1196 64 1604.70183 -309.6058385 -310.066808 0.007202647395 0.6297386535 0.01985463832 0.03485262087
|
|
1197 64 1604.70183 -309.6055619 -310.0668162 0.007207099912 0.6304509189 0.02495493993 0.03494834377
|
|
1198 64 1604.70183 -309.6048434 -310.066846 0.007218791348 0.6323968556 0.01344916451 0.03476062476
|
|
1199 64 1604.70183 -309.6048119 -310.0668458 0.007219279289 0.6324896306 0.01412536219 0.03473563069
|
|
1200 64 1604.70183 -309.5845616 -310.0551585 0.007353076704 0.7808800092 0.357326643 0.03573899284
|
|
1201 64 1604.70183 -309.5927658 -310.0589913 0.007284773515 0.695461443 0.2588645421 0.0383699539
|
|
1202 64 1604.70183 -309.59541 -310.0618428 0.007288011917 0.6766241768 0.1650632833 0.03708462068
|
|
1203 64 1604.70183 -309.5977426 -310.0632792 0.007274008781 0.6640417246 0.1621634578 0.03569625237
|
|
1204 64 1604.70183 -309.5997339 -310.0647059 0.007265188474 0.6591233782 0.1048719784 0.03582841076
|
|
1205 64 1604.70183 -309.602011 -310.0654337 0.007240978769 0.6580053225 0.11110601 0.03612368852
|
|
1206 64 1604.70183 -309.6041829 -310.0661409 0.007218093489 0.6471700661 0.0545589596 0.03548022544
|
|
1207 64 1604.70183 -309.6048764 -310.066204 0.007208243064 0.6443892186 0.05988659423 0.03526912734
|
|
# s_aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1208 64 1604.70183 -306.7940264 -306.8765446 0.001289347418 1.436190359 1.550741673 0.03721758762
|
|
1209 64 1604.70183 -306.8894549 -306.9635484 0.001157710078 0.6511021761 0.08313926166 0.03789594844
|
|
1210 64 1604.70183 -306.8878195 -306.9641139 0.001192100849 0.6612287631 0.04751845787 0.03761883389
|
|
1211 64 1604.70183 -306.886725 -306.9642579 0.001211450511 0.6683083001 0.05885677407 0.03743087052
|
|
1212 64 1604.70183 -306.8860368 -306.9645616 0.001226950694 0.6673935665 0.03569772073 0.03741160522
|
|
1213 64 1604.70183 -306.8855875 -306.9646359 0.001235131461 0.6672982674 0.04336334878 0.03745596933
|
|
1214 64 1604.70183 -306.8855044 -306.9647287 0.001237879323 0.6642925966 0.02612272166 0.03766214156
|
|
1215 64 1604.70183 -306.8854596 -306.9647237 0.001238501405 0.6636461446 0.03123046945 0.03772618844
|
|
1216 64 1604.70183 -306.8853229 -306.9647937 0.00124173124 0.6625451406 0.01837334842 0.03767640172
|
|
1217 64 1604.70183 -306.8852402 -306.9647952 0.001243045871 0.6621981567 0.02338071211 0.03764984558
|
|
1218 64 1604.70183 -306.8636419 -306.9489638 0.00133315384 0.8586751615 0.4964505719 0.03180862124
|
|
1219 64 1604.70183 -306.8773691 -306.95465 0.001207514596 0.7196511533 0.3360787319 0.03519210689
|
|
1220 64 1604.70183 -306.8832502 -306.9587198 0.001179212158 0.6761323324 0.1913594238 0.0356272
|
|
1221 64 1604.70183 -306.887327 -306.9598374 0.001132975862 0.6517017364 0.1824304626 0.03608271186
|
|
1222 64 1604.70183 -306.8893942 -306.9613685 0.001124598956 0.6405257704 0.1314812763 0.03706073008
|
|
1223 64 1604.70183 -306.892665 -306.9618848 0.00108155889 0.6283523874 0.191630116 0.0400332208
|
|
1224 64 1604.70183 -306.8920247 -306.9622122 0.001096679517 0.6294900254 0.1490140669 0.03915852092
|
|
1225 64 1604.70183 -306.8905945 -306.9634019 0.001137615579 0.6415643672 0.07684625941 0.03832476246
|
|
# s_iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1226 65 1604.70183 -308.3245323 -307.9990581 0.005007295468 2.779238427 3.441754242 0.0564733976
|
|
1227 65 1604.70183 -308.6062887 -308.4144059 0.00295204378 0.4578514533 0.08997623964 0.02420998641
|
|
1228 65 1604.70183 -308.6055773 -308.4146382 0.002937523765 0.4584084776 0.1092471882 0.02490085311
|
|
1229 65 1604.70183 -308.6045705 -308.4154013 0.00291029648 0.4693834391 0.06911367211 0.02432315421
|
|
1230 65 1604.70183 -308.6035094 -308.415618 0.002890637227 0.4809216623 0.08345509896 0.02444515726
|
|
1231 65 1604.70183 -308.603799 -308.4161263 0.002887272394 0.4697178201 0.05432206118 0.02420273158
|
|
1232 65 1604.70183 -308.6038418 -308.4162335 0.002886282025 0.4650675308 0.06705929869 0.02438636151
|
|
1233 65 1604.70183 -308.604266 -308.4165185 0.002888423507 0.4667061659 0.04128920457 0.02409367861
|
|
1234 65 1604.70183 -308.6042863 -308.41652 0.002888713037 0.4670287394 0.04492898089 0.0241174584
|
|
1235 65 1604.70183 -308.604936 -308.4167061 0.002895844076 0.4573130331 0.03427145373 0.02422200144
|
|
1236 65 1604.70183 -308.6051351 -308.4167327 0.002898497677 0.4543908288 0.04208936552 0.02430817684
|
|
1237 65 1604.70183 -308.553737 -308.3156704 0.00366256298 0.8384152044 1.095651338 0.03227305993
|
|
1238 65 1604.70183 -308.6054431 -308.4169299 0.002900203622 0.4563577741 0.03151013935 0.02443940782
|
|
1239 65 1604.70183 -308.6055104 -308.416954 0.002900867327 0.4570720962 0.03865944535 0.02450994651
|
|
1240 65 1604.70183 -308.6057944 -308.4170952 0.002903065087 0.4534296803 0.0222460715 0.02449898396
|
|
1241 65 1604.70183 -308.6058892 -308.4171212 0.002904121968 0.452244027 0.02719889895 0.02456219314
|
|
1242 65 1604.70183 -308.605998 -308.4171286 0.002905683071 0.4520501264 0.0194709944 0.02444849031
|
|
1243 65 1604.70183 -308.6059889 -308.4171356 0.002905435143 0.4519485406 0.01523572781 0.02442680201
|
|
1244 65 1604.70183 -308.5582384 -308.3230075 0.003618937468 0.8840435789 1.126599892 0.03316346122
|
|
1245 65 1604.70183 -308.5889362 -308.3701717 0.003365606988 0.5738521171 0.648593671 0.0261393975
|
|
1246 65 1604.70183 -308.5962522 -308.3853208 0.003245098146 0.5938140994 0.6385477863 0.02559685056
|
|
1247 65 1604.70183 -308.606079 -308.4029863 0.003124502293 0.4578607675 0.3442512187 0.02364124611
|
|
1248 65 1604.70183 -308.6077906 -308.4075278 0.003080965156 0.4339111045 0.3449502837 0.02523779591
|
|
1249 65 1604.70183 -308.6077775 -308.4127166 0.003000936791 0.4401942405 0.1481680844 0.02406430222
|
|
1250 65 1604.70183 -308.6067208 -308.4130973 0.002978822432 0.4651986498 0.1597902756 0.02438340607
|
|
1251 65 1604.70183 -308.5129528 -308.6167958 0.001597584519 1.885046161 2.852768231 0.05973364256
|
|
1252 65 1604.70183 -308.6893707 -308.9170738 0.003503125018 0.6150577369 0.1352086416 0.03081898361
|
|
1253 65 1604.70183 -308.6888476 -308.9177141 0.003521023324 0.614005485 0.1628826239 0.03138986735
|
|
1254 65 1604.70183 -308.6881077 -308.9193611 0.003557743972 0.6232536546 0.08820903018 0.03105875083
|
|
1255 65 1604.70183 -308.6873139 -308.9195378 0.003572675242 0.6323740729 0.107968378 0.03120069735
|
|
1256 65 1604.70183 -308.6875174 -308.920185 0.00357950125 0.6228257887 0.06171824913 0.03056227961
|
|
1257 65 1604.70183 -308.6875078 -308.9201947 0.003579798697 0.6222215452 0.06652360994 0.03057202706
|
|
1258 65 1604.70183 -308.6874764 -308.9204921 0.003584857426 0.6255809959 0.03993431489 0.0304205104
|
|
1259 65 1604.70183 -308.6874161 -308.920519 0.003586197535 0.6272557332 0.04802080375 0.03043784453
|
|
1260 65 1604.70183 -308.6876272 -308.9206738 0.003585332618 0.6206944914 0.03157448802 0.03063747616
|
|
1261 65 1604.70183 -308.6876511 -308.9206785 0.003585038346 0.6195972909 0.03684938922 0.03068796569
|
|
1262 65 1604.70183 -308.6613362 -308.8525904 0.002942372596 0.753006838 0.8898080397 0.03304418026
|
|
1263 65 1604.70183 -308.6872032 -308.9207652 0.003593261355 0.6269996274 0.0258968568 0.03065805801
|
|
1264 65 1604.70183 -308.6870229 -308.920767 0.003596062737 0.6298073872 0.03383547696 0.03064302277
|
|
1265 65 1604.70183 -308.6873404 -308.920822 0.003592024336 0.6256914959 0.0173254023 0.03056894005
|
|
1266 65 1604.70183 -308.6873666 -308.9208223 0.00359162532 0.6253507343 0.0181348984 0.03056264783
|
|
1267 65 1604.70183 -308.671299 -308.8649401 0.002979093204 0.6908658956 0.8198898761 0.03534699802
|
|
1268 65 1604.70183 -308.683397 -308.8899041 0.003177032222 0.6056439454 0.4426657752 0.03163046574
|
|
1269 65 1604.70183 -308.6878328 -308.8965266 0.003210673257 0.5986342738 0.4287734665 0.03389115126
|
|
1270 65 1604.70183 -308.6905291 -308.9050188 0.003299841534 0.5862508808 0.2665119179 0.03185464724
|
|
1271 65 1604.70183 -308.6899542 -308.9083473 0.003359893501 0.6062780124 0.3056093386 0.03082861957
|
|
1272 65 1604.70183 -308.6904503 -308.9130965 0.003425326912 0.6046359548 0.1844420899 0.03031368212
|
|
1273 65 1604.70183 -308.6890939 -308.9140188 0.00346038267 0.6255269726 0.2282513436 0.03063133503
|
|
1274 65 1604.70183 -309.4256152 -309.3691182 0.0008691848536 1.437816509 2.020276788 0.05677028211
|
|
1275 65 1604.70183 -309.5400913 -309.5146967 0.0003906854525 0.731846294 0.06118717011 0.03718273515
|
|
1276 65 1604.70183 -309.5407782 -309.5148047 0.0003995918581 0.7281858039 0.07058777014 0.03729643485
|
|
1277 65 1604.70183 -309.5413209 -309.5151345 0.0004028677679 0.7280034217 0.04201719477 0.03712978584
|
|
1278 65 1604.70183 -309.5415898 -309.5152025 0.0004059583691 0.7287783987 0.0580625214 0.03702169471
|
|
1279 65 1604.70183 -309.5419304 -309.5154343 0.0004076326576 0.7257699412 0.03531064522 0.03707801319
|
|
1280 65 1604.70183 -309.5420506 -309.5154715 0.0004089089966 0.7245182384 0.04223218265 0.03707993985
|
|
1281 65 1604.70183 -309.5416614 -309.5156045 0.0004008762487 0.7289925505 0.02606522271 0.03687961221
|
|
1282 65 1604.70183 -309.5414876 -309.5156119 0.0003980885612 0.7309151098 0.03465477955 0.03685578732
|
|
1283 65 1604.70183 -309.5415312 -309.5156876 0.0003975933733 0.7282363109 0.02432195266 0.03687286867
|
|
1284 65 1604.70183 -309.5415283 -309.5156871 0.0003975558253 0.7283400101 0.02398627549 0.03687101078
|
|
1285 65 1604.70183 -309.5013719 -309.4863816 0.0002306203388 0.9023472232 0.6088466764 0.03759055847
|
|
1286 65 1604.70183 -309.5085641 -309.4925326 0.0002466397007 0.8705339586 0.5367648908 0.03867168301
|
|
1287 65 1604.70183 -309.5201283 -309.503522 0.0002554810469 0.8047063219 0.3010106009 0.03775388304
|
|
1288 65 1604.70183 -309.5266422 -309.5069551 0.0003028795643 0.7813047801 0.2862146586 0.03872692389
|
|
1289 65 1604.70183 -309.531994 -309.5108334 0.000325548762 0.7528636434 0.1736893616 0.03803451547
|
|
1290 65 1604.70183 -309.5363443 -309.5124736 0.0003672422387 0.7345374599 0.1747690184 0.03758464775
|
|
1291 65 1604.70183 -309.5380778 -309.513947 0.000371243951 0.7379071865 0.09145900731 0.03706296669
|
|
1292 65 1604.70183 -309.53844 -309.5140637 0.0003750197827 0.7415115327 0.1055625178 0.0369624364
|
|
1293 65 1604.70183 -309.1939176 -308.9876108 0.003173952102 2.370168172 3.369528918 0.07569011311
|
|
1294 65 1604.70183 -309.4345427 -309.3185853 0.001783960994 0.7598931219 0.1300677154 0.03957219243
|
|
1295 65 1604.70183 -309.4353467 -309.318886 0.001791703984 0.7526775285 0.1593159524 0.03983891662
|
|
1296 65 1604.70183 -309.4340278 -309.3207419 0.001742859729 0.7619622442 0.1009829002 0.0394287477
|
|
1297 65 1604.70183 -309.4328155 -309.321086 0.001718914647 0.7703802233 0.1287832777 0.03945405493
|
|
1298 65 1604.70183 -309.430878 -309.3223733 0.001669303268 0.766539959 0.07485259621 0.03932546042
|
|
1299 65 1604.70183 -309.4301591 -309.322468 0.001656785593 0.7672059405 0.08949052748 0.03934620022
|
|
1300 65 1604.70183 -309.4277064 -309.3230186 0.001610581304 0.7787130238 0.05851577257 0.03953088316
|
|
1301 65 1604.70183 -309.4270002 -309.3230433 0.001599336508 0.7823943105 0.06872746543 0.03958846496
|
|
1302 65 1604.70183 -309.4258261 -309.3233695 0.001576255915 0.7879239781 0.03873356362 0.03966104012
|
|
1303 65 1604.70183 -309.425679 -309.3233729 0.00157394005 0.7887162117 0.04249452865 0.03970610392
|
|
1304 65 1604.70183 -309.3897676 -309.2696756 0.001847568693 0.9322203475 0.6965971345 0.04085111185
|
|
1305 65 1604.70183 -309.4255356 -309.3234569 0.001570440198 0.7917611442 0.02794548003 0.03972885858
|
|
1306 65 1604.70183 -309.425528 -309.3234554 0.001570346628 0.7918611552 0.02854991492 0.03973414655
|
|
1307 65 1604.70183 -309.4260083 -309.3235117 0.00157687065 0.788146609 0.01648901944 0.03983319139
|
|
1308 65 1604.70183 -309.4260388 -309.3235109 0.001577351746 0.7879186416 0.01772431779 0.039846657
|
|
1309 65 1604.70183 -309.3938815 -309.2717447 0.001879028398 0.9028022903 0.6965989888 0.04165920564
|
|
1310 65 1604.70183 -309.4080125 -309.2899774 0.001815924216 0.8260787251 0.4077923177 0.03949752744
|
|
1311 65 1604.70183 -309.4156768 -309.2966514 0.001831161142 0.8025929122 0.392635015 0.04046096168
|
|
1312 65 1604.70183 -309.4217178 -309.304246 0.001807259106 0.7817368988 0.2714570542 0.03985490325
|
|
1313 65 1604.70183 -309.4268517 -309.3094173 0.001806682355 0.7829399035 0.3024801867 0.040269269
|
|
1314 65 1604.70183 -309.4304917 -309.314558 0.00178359491 0.7754389876 0.1807447293 0.03945092253
|
|
1315 65 1604.70183 -309.4312997 -309.3156286 0.001779555943 0.7874930038 0.219559556 0.03915320729
|
|
1316 65 1604.70183 -309.1939176 -308.9876108 0.003173952102 2.370168172 3.369528918 0.07569011311
|
|
1317 65 1604.70183 -309.4345427 -309.3185853 0.001783960994 0.7598931219 0.1300677154 0.03957219243
|
|
1318 65 1604.70183 -309.4353467 -309.318886 0.001791703984 0.7526775285 0.1593159524 0.03983891662
|
|
1319 65 1604.70183 -309.4340278 -309.3207419 0.001742859729 0.7619622442 0.1009829002 0.0394287477
|
|
1320 65 1604.70183 -309.4328155 -309.321086 0.001718914647 0.7703802233 0.1287832777 0.03945405493
|
|
1321 65 1604.70183 -309.430878 -309.3223733 0.001669303268 0.766539959 0.07485259621 0.03932546042
|
|
1322 65 1604.70183 -309.4301591 -309.322468 0.001656785593 0.7672059405 0.08949052748 0.03934620022
|
|
1323 65 1604.70183 -309.4277064 -309.3230186 0.001610581304 0.7787130238 0.05851577257 0.03953088316
|
|
1324 65 1604.70183 -309.4270002 -309.3230433 0.001599336508 0.7823943105 0.06872746543 0.03958846496
|
|
1325 65 1604.70183 -309.4258261 -309.3233695 0.001576255915 0.7879239781 0.03873356362 0.03966104012
|
|
1326 65 1604.70183 -309.425679 -309.3233729 0.00157394005 0.7887162117 0.04249452865 0.03970610392
|
|
1327 65 1604.70183 -309.3897676 -309.2696756 0.001847568693 0.9322203475 0.6965971345 0.04085111185
|
|
1328 65 1604.70183 -309.4255356 -309.3234569 0.001570440198 0.7917611442 0.02794548003 0.03972885858
|
|
1329 65 1604.70183 -309.425528 -309.3234554 0.001570346628 0.7918611552 0.02854991492 0.03973414655
|
|
1330 65 1604.70183 -309.4260083 -309.3235117 0.00157687065 0.788146609 0.01648901944 0.03983319139
|
|
1331 65 1604.70183 -309.4260388 -309.3235109 0.001577351746 0.7879186416 0.01772431779 0.039846657
|
|
1332 65 1604.70183 -309.3938815 -309.2717447 0.001879028398 0.9028022903 0.6965989888 0.04165920564
|
|
1333 65 1604.70183 -309.4080125 -309.2899774 0.001815924216 0.8260787251 0.4077923177 0.03949752744
|
|
1334 65 1604.70183 -309.4156768 -309.2966514 0.001831161142 0.8025929122 0.392635015 0.04046096168
|
|
1335 65 1604.70183 -309.4217178 -309.304246 0.001807259106 0.7817368988 0.2714570542 0.03985490325
|
|
1336 65 1604.70183 -309.4268517 -309.3094173 0.001806682355 0.7829399035 0.3024801867 0.040269269
|
|
1337 65 1604.70183 -309.4304917 -309.314558 0.00178359491 0.7754389876 0.1807447293 0.03945092253
|
|
1338 65 1604.70183 -309.4312997 -309.3156286 0.001779555943 0.7874930038 0.219559556 0.03915320729
|
|
1339 65 1604.70183 -308.9162243 -308.9630782 0.0007208295219 2.066276434 2.800626938 0.06114240557
|
|
1340 65 1604.70183 -309.1039205 -309.2065215 0.001578478304 0.6544622457 0.138418872 0.03224614157
|
|
1341 65 1604.70183 -309.1079782 -309.2079046 0.001537328593 0.6391821071 0.1695431883 0.03207830651
|
|
1342 65 1604.70183 -309.1115421 -309.209983 0.001514474979 0.6350036603 0.1308716977 0.0323419811
|
|
1343 65 1604.70183 -309.1119428 -309.2100901 0.001509958148 0.6361017416 0.1474462682 0.03249159458
|
|
1344 65 1604.70183 -309.1144454 -309.2120228 0.001501190886 0.6345218232 0.1313400831 0.0316642597
|
|
1345 65 1604.70183 -309.1146734 -309.2121515 0.001499664461 0.6364960902 0.1467476357 0.03160636873
|
|
1346 65 1604.70183 -309.117268 -309.2140983 0.001489695848 0.6293500628 0.09611299438 0.03197787545
|
|
1347 65 1604.70183 -309.1187051 -309.2149834 0.001481204812 0.6293160475 0.1160960545 0.03243133532
|
|
1348 65 1604.70183 -309.1205513 -309.2164585 0.001475494644 0.6296101523 0.07866559763 0.03183583353
|
|
1349 65 1604.70183 -309.1223311 -309.2175399 0.001464750811 0.6424836547 0.1578762878 0.03166520037
|
|
1350 65 1604.70183 -309.0592197 -309.1662917 0.001647261344 0.8577890649 0.7475202955 0.03572675629
|
|
1351 65 1604.70183 -309.124762 -309.2177195 0.001430114689 0.6248990758 0.1872886534 0.03408877412
|
|
1352 65 1604.70183 -309.1240291 -309.218303 0.001450368486 0.6261558134 0.07405831134 0.03255328924
|
|
1353 65 1604.70183 -309.1245999 -309.2185313 0.001445098565 0.6285191737 0.0851505638 0.03258177169
|
|
1354 65 1604.70183 -309.1245299 -309.2185433 0.001446359702 0.6270349228 0.06798810227 0.03257023103
|
|
1355 65 1604.70183 -309.12524 -309.2188022 0.001439419247 0.627968757 0.04126023346 0.03259714823
|
|
1356 65 1604.70183 -309.1256253 -309.218868 0.001434502866 0.6289875568 0.04668529029 0.03267127716
|
|
1357 65 1604.70183 -309.1261159 -309.2190464 0.001429701251 0.6257541609 0.02864289769 0.03273146138
|
|
1358 65 1604.70183 -309.1264932 -309.2191158 0.0014249642 0.6235024991 0.04103123196 0.0328114158
|
|
1359 65 1604.70183 -309.1267221 -309.2193034 0.001424328071 0.6255201104 0.03118479854 0.03278409258
|
|
1360 65 1604.70183 -309.1269748 -309.2194759 0.001423093936 0.6289524992 0.04280295274 0.03287489568
|
|
1361 65 1604.70183 -309.0630125 -309.1692546 0.001634493231 0.858036123 0.7633188526 0.03723200537
|
|
1362 65 1604.70183 -309.1273638 -309.2196605 0.001419949371 0.6284754145 0.02997866313 0.03295657843
|
|
1363 65 1604.70183 -309.1275737 -309.2197312 0.001417807769 0.6285519552 0.03975648274 0.0330538
|
|
1364 65 1604.70183 -309.0779463 -309.187105 0.001679365699 0.7228282825 0.3835624808 0.03468226846
|
|
1365 65 1604.70183 -309.0804798 -309.1882585 0.001658133729 0.7169817371 0.4423665736 0.03562610673
|
|
1366 65 1604.70183 -309.0862158 -309.1955048 0.001681369279 0.7130003127 0.2406913048 0.03384968518
|
|
1367 65 1604.70183 -309.0875731 -309.1967467 0.001679594751 0.7419756325 0.2826530301 0.03384994195
|
|
1368 65 1604.70183 -309.0930909 -309.2007993 0.001657052546 0.7039809183 0.1910941657 0.03317802139
|
|
1369 65 1604.70183 -309.0987315 -309.2034724 0.001611399487 0.6800457953 0.2151638473 0.03300188322
|
|
# s_iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1370 65 1604.70183 -312.294821 -312.1064156 0.002898543876 1.069067283 1.657687119 0.04361198017
|
|
1371 65 1604.70183 -312.3625877 -312.2174988 0.002232136858 0.4605185867 0.0826119634 0.02247627086
|
|
1372 65 1604.70183 -312.3627608 -312.2176788 0.002232030329 0.4598409718 0.09577527079 0.0226051129
|
|
1373 65 1604.70183 -312.3629345 -312.2184497 0.002222842111 0.4646158428 0.06132694502 0.02203634253
|
|
1374 65 1604.70183 -312.3627303 -312.2187629 0.00221488395 0.4759085768 0.1096795721 0.02182135663
|
|
1375 65 1604.70183 -312.3635571 -312.2191496 0.002221653343 0.460113027 0.08667491656 0.02283792318
|
|
1376 65 1604.70183 -312.3634087 -312.2192308 0.002218121913 0.4630187493 0.04768612191 0.02235742831
|
|
1377 65 1604.70183 -312.3634598 -312.219395 0.002216382274 0.4652734903 0.03276624032 0.02215897087
|
|
1378 65 1604.70183 -312.3634212 -312.2194334 0.002215196927 0.4683950726 0.04507641972 0.02200365267
|
|
1379 65 1604.70183 -312.3636835 -312.2196116 0.002216490247 0.4671061624 0.03047486901 0.02218386716
|
|
1380 65 1604.70183 -312.3638766 -312.2197113 0.002217928684 0.4667925476 0.03907189658 0.02240641072
|
|
1381 65 1604.70183 -312.3441907 -312.1896011 0.002378301892 0.5837694004 0.5552583025 0.02523098121
|
|
1382 65 1604.70183 -312.3641507 -312.2198852 0.002219468506 0.4660973553 0.02976997141 0.02245011539
|
|
1383 65 1604.70183 -312.3642851 -312.2199516 0.002220515538 0.4664057622 0.03952582496 0.02247952025
|
|
1384 65 1604.70183 -312.3643827 -312.2201631 0.002218762909 0.4694940793 0.02648351986 0.0224890617
|
|
1385 65 1604.70183 -312.3644029 -312.2202301 0.002218042532 0.4723334645 0.03554112535 0.02252028524
|
|
1386 65 1604.70183 -312.3645436 -312.220395 0.002217670425 0.4725885293 0.02638162014 0.02257312295
|
|
1387 65 1604.70183 -312.3646062 -312.2204531 0.002217741169 0.4736502326 0.03851421937 0.02263604267
|
|
1388 65 1604.70183 -312.364713 -312.2205957 0.002217188719 0.4752832646 0.04015446359 0.02276908272
|
|
1389 65 1604.70183 -312.364985 -312.2210001 0.002215152993 0.4819795218 0.06125012442 0.02321741361
|
|
1390 65 1604.70183 -312.3653131 -312.2216823 0.002209705177 0.5018600893 0.127738152 0.02426196303
|
|
1391 65 1604.70183 -312.3648669 -312.2225228 0.002189908879 0.5631540501 0.2753225514 0.02662839184
|
|
1392 65 1604.70183 -312.3490057 -312.1960763 0.002352760322 0.5453745249 0.4721624472 0.02319930214
|
|
1393 65 1604.70183 -312.3575847 -312.2218095 0.002088849241 0.7394039271 0.5851750769 0.03230241549
|
|
1394 65 1604.70183 -312.361422 -312.2224637 0.002137819418 0.6693496398 0.4696368815 0.03016349848
|
|
1395 65 1604.70183 -312.3556518 -312.205204 0.002314581772 0.4849704879 0.2948484111 0.02249079794
|
|
1396 65 1604.70183 -312.3597913 -312.2097333 0.002308585401 0.4612233707 0.2698684355 0.02471130295
|
|
1397 65 1604.70183 -312.3611126 -312.2134778 0.002271304925 0.4531616383 0.1535766773 0.02347794733
|
|
1398 65 1604.70183 -312.3607692 -312.2147912 0.002245814608 0.4750079278 0.1627557782 0.02266661125
|
|
1399 65 1604.70183 -312.3615399 -312.2161771 0.002236349975 0.4707627151 0.1038810932 0.02256352479
|
|
1400 65 1604.70183 -312.3615313 -312.2162846 0.002234564764 0.4790762875 0.1306384371 0.02255189955
|
|
1401 65 1604.70183 -312.130427 -312.0094186 0.001861668405 1.824556987 2.761689725 0.04475712972
|
|
1402 65 1604.70183 -312.3007027 -312.2917783 0.0001372980961 0.3156950984 0.1088094589 0.01775323774
|
|
1403 65 1604.70183 -312.3002017 -312.2924141 0.0001198101155 0.3074039476 0.1058273719 0.01787396673
|
|
1404 65 1604.70183 -312.299481 -312.293034 9.918395922e-05 0.3037936812 0.06008167285 0.01747247974
|
|
1405 65 1604.70183 -312.2988732 -312.2931628 8.785249342e-05 0.3064414479 0.07186056592 0.01742953213
|
|
1406 65 1604.70183 -312.2980595 -312.2934651 7.068434371e-05 0.3072729269 0.04874214637 0.01707742439
|
|
1407 65 1604.70183 -312.2976471 -312.2934936 6.390014393e-05 0.3102678866 0.06431543277 0.0170257677
|
|
1408 65 1604.70183 -312.2969901 -312.2936868 5.081970445e-05 0.3078377847 0.04786194818 0.01736943093
|
|
1409 65 1604.70183 -312.2967324 -312.2936992 4.666517454e-05 0.3086101113 0.05908802148 0.01747670315
|
|
1410 65 1604.70183 -312.295912 -312.2938174 3.222342622e-05 0.3139511384 0.05733188331 0.01646697518
|
|
1411 65 1604.70183 -312.296063 -312.2938211 3.449151796e-05 0.3124884222 0.04690513771 0.01659547651
|
|
1412 65 1604.70183 -312.2689973 -312.2285727 0.0006219167664 0.6049285738 0.8795445231 0.02359044791
|
|
1413 65 1604.70183 -312.2958467 -312.2939276 2.952464697e-05 0.3144968313 0.03497701698 0.01682416732
|
|
1414 65 1604.70183 -312.2957765 -312.2939326 2.836826258e-05 0.3157140294 0.04254563899 0.01692318457
|
|
1415 65 1604.70183 -312.2957718 -312.2940641 2.627333417e-05 0.3158413953 0.04238810739 0.01695875899
|
|
1416 65 1604.70183 -312.2957909 -312.2943333 2.2425695e-05 0.3195206278 0.08542958409 0.0172755431
|
|
1417 65 1604.70183 -312.2962569 -312.2947244 2.357620989e-05 0.3259917209 0.09482068225 0.01726601283
|
|
1418 65 1604.70183 -312.2962714 -312.2947245 2.379909303e-05 0.3265824393 0.0989506874 0.01727758353
|
|
1419 65 1604.70183 -312.2966485 -312.2950057 2.527336053e-05 0.3247687148 0.08581638057 0.01681954492
|
|
1420 65 1604.70183 -312.2975735 -312.295297 3.502418887e-05 0.3308282178 0.1731068406 0.01630066237
|
|
1421 65 1604.70183 -312.2978425 -312.29544 3.69630328e-05 0.3319703618 0.1768624607 0.0163484983
|
|
1422 65 1604.70183 -312.2986997 -312.2958892 4.323900571e-05 0.3357372891 0.191888832 0.01654316085
|
|
1423 65 1604.70183 -312.2771951 -312.2399742 0.0005726296868 0.5551806624 0.8357718198 0.02524963863
|
|
1424 65 1604.70183 -312.3006039 -312.2968905 5.712897327e-05 0.3453571457 0.2241439295 0.01694954926
|
|
1425 65 1604.70183 -312.3050638 -312.2992858 8.889176944e-05 0.371707643 0.2940926924 0.01784904116
|
|
1426 65 1604.70183 -312.315779 -312.3055753 0.0001569799276 0.443690761 0.4447822223 0.02042273727
|
|
1427 65 1604.70183 -312.3378289 -312.3229186 0.0002293890549 0.6572179943 0.761608579 0.02867103534
|
|
1428 65 1604.70183 -312.3434688 -312.3563291 0.0001978512611 1.259919593 1.493029397 0.047238003
|
|
1429 65 1604.70183 -312.3432813 -312.3564962 0.0002033059061 1.263060109 1.495738598 0.0472251915
|
|
1430 65 1604.70183 -312.342711 -312.3569139 0.0002185062329 1.272329962 1.507655233 0.04746668036
|
|
1431 65 1604.70183 -312.3414637 -312.3577405 0.0002504115932 1.290943512 1.531639184 0.04794663978
|
|
1432 65 1604.70183 -312.2929613 -312.2666967 0.0004040706981 0.3579197696 0.4903169532 0.02004250288
|
|
1433 65 1604.70183 -312.2981132 -312.2755264 0.0003474891542 0.331448183 0.5181548416 0.02191303549
|
|
1434 65 1604.70183 -312.2985348 -312.2847642 0.0002118560694 0.4444121971 0.3854652273 0.01647673392
|
|
1435 65 1604.70183 -312.2980465 -312.2848573 0.0002029108092 0.4767849948 0.4245026405 0.01637586834
|
|
1436 65 1604.70183 -312.3005038 -312.2902378 0.0001579384008 0.3334154321 0.1891256354 0.01821054909
|
|
1437 65 1604.70183 -312.3005467 -312.2902483 0.0001584371524 0.3345124733 0.1787910358 0.01800389779
|
|
1438 65 1604.70183 -312.6990356 -312.7405613 0.0006388570963 1.239850561 1.937896006 0.042376585
|
|
1439 65 1604.70183 -312.7913554 -312.870317 0.001214793808 0.4192013022 0.07278135669 0.01899274445
|
|
1440 65 1604.70183 -312.7915539 -312.8705004 0.001214562242 0.421654365 0.08426801205 0.01902190202
|
|
1441 65 1604.70183 -312.7915071 -312.8709317 0.00122191676 0.4164439586 0.05060552547 0.01891287762
|
|
1442 65 1604.70183 -312.7912983 -312.8710638 0.001227161962 0.4146731454 0.06525547566 0.019057917
|
|
1443 65 1604.70183 -312.7905914 -312.8713727 0.001242788776 0.4149521722 0.04126523561 0.01857499585
|
|
1444 65 1604.70183 -312.7900468 -312.8714565 0.001252457979 0.4161579789 0.04923255969 0.01842686068
|
|
1445 65 1604.70183 -312.7894537 -312.8716455 0.001264488447 0.4174691378 0.03252482529 0.01801001241
|
|
1446 65 1604.70183 -312.7891366 -312.8716705 0.001269752634 0.4187105253 0.04455467087 0.01792169979
|
|
1447 65 1604.70183 -312.7886756 -312.8717849 0.001278603683 0.4182659017 0.03204215839 0.01809420534
|
|
1448 65 1604.70183 -312.788534 -312.8717902 0.001280864522 0.4186407606 0.03811008445 0.01819860346
|
|
1449 65 1604.70183 -312.7651374 -312.845919 0.001242793443 0.5785312526 0.5525076996 0.02182991993
|
|
1450 65 1604.70183 -312.7881218 -312.871858 0.001288249801 0.4182082397 0.03277788196 0.01818504486
|
|
1451 65 1604.70183 -312.7881077 -312.8718575 0.001288458512 0.4182733412 0.03355283043 0.01817935755
|
|
1452 65 1604.70183 -312.7696737 -312.8501606 0.00123825967 0.5383105727 0.5057147985 0.02223955445
|
|
1453 65 1604.70183 -312.7780034 -312.8599995 0.001261478318 0.477267999 0.3010213589 0.01895797864
|
|
1454 65 1604.70183 -312.7835244 -312.8637044 0.00123353831 0.4544923983 0.2919634715 0.02046748257
|
|
1455 65 1604.70183 -312.7870631 -312.8673608 0.001235348861 0.4344275754 0.1735004231 0.01896375509
|
|
1456 65 1604.70183 -312.7880962 -312.8679859 0.001229072538 0.4566078317 0.2172682873 0.01871415151
|
|
1457 65 1604.70183 -312.7908253 -312.8695929 0.001211809131 0.4204947867 0.1224136373 0.01931049027
|
|
1458 65 1604.70183 -312.7907987 -312.8695934 0.001212225692 0.4206198197 0.1205737127 0.01929182174
|
|
1459 65 1604.70183 -312.3301202 -312.3206748 0.0001453142569 2.183987944 3.389739231 0.07893673442
|
|
1460 65 1604.70183 -312.5427308 -312.654817 0.001724401962 0.5555784345 0.145299961 0.02851201113
|
|
1461 65 1604.70183 -312.5435839 -312.6557767 0.001726042591 0.5591543772 0.1638706858 0.02853479816
|
|
1462 65 1604.70183 -312.544255 -312.6571103 0.00173623651 0.5588680757 0.09919509428 0.02814290749
|
|
1463 65 1604.70183 -312.5443151 -312.6575315 0.001741790789 0.5674679652 0.1167795243 0.02810950883
|
|
1464 65 1604.70183 -312.5450733 -312.6582116 0.001740589107 0.5606484303 0.07141543596 0.02797901913
|
|
1465 65 1604.70183 -312.5452287 -312.6582727 0.001739138415 0.5608562414 0.08591795037 0.02800236335
|
|
1466 65 1604.70183 -312.545863 -312.658692 0.001735830777 0.5566902142 0.05464787808 0.02798568886
|
|
1467 65 1604.70183 -312.5460224 -312.6587369 0.001734069181 0.5568048646 0.06975183178 0.02801241168
|
|
1468 65 1604.70183 -312.5463608 -312.6590101 0.001733065009 0.5597895828 0.05304330046 0.02799077759
|
|
1469 65 1604.70183 -312.5464195 -312.6590221 0.001732346697 0.5612985147 0.06581872891 0.02798157682
|
|
1470 65 1604.70183 -312.5039991 -312.6055894 0.001562927805 0.7593652048 0.7900772516 0.03687451138
|
|
1471 65 1604.70183 -312.5469618 -312.6591795 0.001726427144 0.5603680951 0.05486684366 0.02785089155
|
|
1472 65 1604.70183 -312.5469674 -312.659179 0.001726332318 0.5603510849 0.05470551136 0.02784925574
|
|
1473 65 1604.70183 -312.5475555 -312.6593069 0.001719252505 0.5595546802 0.03277021192 0.02788692931
|
|
1474 65 1604.70183 -312.5476605 -312.6593087 0.001717665582 0.5596187335 0.03619545847 0.02786279778
|
|
1475 65 1604.70183 -312.5480262 -312.65938 0.001713135161 0.5576791263 0.02054233675 0.02802689032
|
|
1476 65 1604.70183 -312.5482161 -312.6593876 0.001710330854 0.5568187414 0.02544780837 0.02813181609
|
|
1477 65 1604.70183 -312.5062733 -312.6078171 0.001562211466 0.7493981198 0.7921786049 0.03680343049
|
|
1478 65 1604.70183 -312.520277 -312.6304102 0.001694357904 0.6582479214 0.4484425148 0.03163310999
|
|
1479 65 1604.70183 -312.5251059 -312.6365985 0.001715271496 0.6603847473 0.4575187639 0.03156358338
|
|
1480 65 1604.70183 -312.5321207 -312.6453488 0.001741970374 0.6223347649 0.3062924865 0.02969540629
|
|
1481 65 1604.70183 -312.5342856 -312.6474673 0.001741256968 0.6697259601 0.4179093656 0.02934553722
|
|
1482 65 1604.70183 -312.5404725 -312.6525929 0.001724929259 0.5708836471 0.1985261599 0.0286936114
|
|
1483 65 1604.70183 -312.5412873 -312.652785 0.00171534803 0.5629113147 0.2240826165 0.02879898345
|
|
1484 65 1604.70183 -312.6765616 -312.7159502 0.0006059780848 1.397388174 2.168297738 0.04960057988
|
|
1485 65 1604.70183 -312.7796964 -312.8654033 0.001318568054 0.4549992159 0.08500929041 0.02193084709
|
|
1486 65 1604.70183 -312.7799119 -312.865742 0.001320464018 0.4553429515 0.09784340803 0.02178775929
|
|
1487 65 1604.70183 -312.7799277 -312.8663836 0.00133009087 0.4515703581 0.05970326011 0.02185376248
|
|
1488 65 1604.70183 -312.7797895 -312.8665704 0.001335091045 0.4511452297 0.07126206381 0.02201598917
|
|
1489 65 1604.70183 -312.7793456 -312.8670142 0.001348748322 0.4537702244 0.05108921113 0.02160554812
|
|
1490 65 1604.70183 -312.7785118 -312.8672384 0.001365024857 0.4609812897 0.09110849495 0.021181916
|
|
1491 65 1604.70183 -312.778359 -312.8674458 0.001370565864 0.4589821642 0.07799756682 0.02105334094
|
|
1492 65 1604.70183 -312.7777112 -312.8677627 0.00138540793 0.4563755797 0.08841182136 0.02070547652
|
|
1493 65 1604.70183 -312.7778512 -312.8680543 0.001387738824 0.4564891897 0.05695538054 0.02066648946
|
|
1494 65 1604.70183 -312.7778611 -312.8682015 0.001389852289 0.4616144664 0.07864845119 0.02074915601
|
|
1495 65 1604.70183 -312.7566531 -312.8425211 0.001321045503 0.6025571591 0.5226966217 0.02386214663
|
|
1496 65 1604.70183 -312.7783385 -312.8684803 0.001386797361 0.4556965415 0.06082312863 0.0206984358
|
|
1497 65 1604.70183 -312.779045 -312.8686936 0.001379209437 0.4478985215 0.08369111397 0.02077560234
|
|
1498 65 1604.70183 -312.7795005 -312.8690064 0.001377013126 0.4462744793 0.05605501197 0.02044095308
|
|
1499 65 1604.70183 -312.7798836 -312.869152 0.001373360076 0.4470076183 0.0657281091 0.02016762854
|
|
1500 65 1604.70183 -312.78015 -312.8693929 0.00137296675 0.4432603652 0.04290395344 0.02001672157
|
|
1501 65 1604.70183 -312.7802745 -312.8694605 0.00137209182 0.441642439 0.05182760441 0.01998650286
|
|
1502 65 1604.70183 -312.7804059 -312.8696538 0.001373045423 0.4441202169 0.04127732369 0.01986766626
|
|
1503 65 1604.70183 -312.780469 -312.8697356 0.001373331956 0.4499870894 0.0780404356 0.01981469339
|
|
1504 65 1604.70183 -312.7805813 -312.8698108 0.001372760656 0.4485371939 0.07443355489 0.01976766599
|
|
1505 65 1604.70183 -312.780891 -312.8700026 0.001370948077 0.4445509168 0.06964737679 0.01976996223
|
|
1506 65 1604.70183 -312.7603765 -312.8456189 0.001311422671 0.563411241 0.4828166376 0.02408207989
|
|
1507 65 1604.70183 -312.7810475 -312.8700916 0.001369908969 0.4411078758 0.05064571752 0.01973082153
|
|
1508 65 1604.70183 -312.7813087 -312.8701628 0.001366985909 0.4359231188 0.04654086702 0.0196173779
|
|
1509 65 1604.70183 -312.7814573 -312.8702158 0.001365516353 0.4367121173 0.03628201067 0.01949825892
|
|
1510 65 1604.70183 -312.7817613 -312.8702555 0.001361448887 0.4396477809 0.04666243871 0.01925896418
|
|
1511 65 1604.70183 -312.7673756 -312.8545239 0.001340742291 0.5185491449 0.2930063883 0.02197993881
|
|
1512 65 1604.70183 -312.7719381 -312.8580391 0.001324630535 0.5089455355 0.2946344923 0.02300040532
|
|
1513 65 1604.70183 -312.7758891 -312.8618364 0.001322265302 0.4623496495 0.1824399 0.02252863201
|
|
1514 65 1604.70183 -312.7773159 -312.8626371 0.001312634771 0.4678574756 0.2350394036 0.02263066556
|
|
1515 65 1604.70183 -312.7791613 -312.8644913 0.001312768583 0.4604345053 0.1366550997 0.02225695837
|
|
1516 65 1604.70183 -312.7791288 -312.8644947 0.001313320754 0.4595614158 0.1312536124 0.02224954073
|
|
1517 65 1604.70183 -312.4362308 -312.333868 0.001574812546 0.7195773649 1.188326454 0.03522938615
|
|
1518 65 1604.70183 -312.4806125 -312.3972401 0.00128265322 0.3858832732 0.04371284253 0.01960698118
|
|
1519 65 1604.70183 -312.4810474 -312.3973262 0.001288017634 0.3847672933 0.05404305614 0.01980382751
|
|
1520 65 1604.70183 -312.4813319 -312.3975356 0.001289173794 0.3849913325 0.04083076281 0.01953165816
|
|
1521 65 1604.70183 -312.4816179 -312.3976308 0.00129210852 0.386824667 0.06360311688 0.01928772194
|
|
1522 65 1604.70183 -312.4820037 -312.3977584 0.001296081538 0.3866896418 0.04995381103 0.01924154819
|
|
1523 65 1604.70183 -312.4828472 -312.3978692 0.001307353239 0.3893494962 0.04464682791 0.01930257193
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|
1524 65 1604.70183 -312.483305 -312.3979567 0.001313050509 0.3886508601 0.02073837783 0.01930233367
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|
1525 65 1604.70183 -312.4835428 -312.3979634 0.001316606006 0.3887276378 0.0206079852 0.01937897216
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|
1526 65 1604.70183 -312.4838787 -312.39799 0.00132136451 0.386334867 0.01504015176 0.01941530473
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|
1527 65 1604.70183 -312.4842615 -312.3979969 0.001327148374 0.3837728313 0.02235873024 0.01963333277
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|
1528 65 1604.70183 -312.4577832 -312.3781124 0.001225704394 0.4769962494 0.4628637028 0.01842191169
|
|
1529 65 1604.70183 -312.4599365 -312.3827926 0.00118682924 0.4840690548 0.4064338063 0.01837620226
|
|
1530 65 1604.70183 -312.4661376 -312.3897535 0.001175139619 0.439692505 0.2636090059 0.01645267478
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|
1531 65 1604.70183 -312.4726842 -312.3938568 0.00121272912 0.4203410466 0.2298444864 0.01863054616
|
|
1532 65 1604.70183 -312.4771141 -312.3961663 0.001245350082 0.3965100285 0.09724602398 0.01940274836
|
|
1533 65 1604.70183 -312.478713 -312.3963796 0.001266667119 0.392369317 0.09586946525 0.02006562638
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|
1534 65 1604.70183 -312.4795656 -312.3968549 0.001272471308 0.3888130114 0.05675509794 0.01957770691
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|
1535 65 1604.70183 -312.479912 -312.3969261 0.001276707471 0.389165366 0.07047845301 0.0193520934
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|
1536 65 1604.70183 -311.7492441 -311.2348682 0.007913474591 0.8268500701 0.9996564599 0.03468232618
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|
1537 65 1604.70183 -311.7816312 -311.2747215 0.007798610554 0.5622955541 0.02195966038 0.02268628903
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|
1538 65 1604.70183 -311.7826069 -311.2746781 0.007814288583 0.5595915174 0.02455441698 0.02300518249
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|
1539 65 1604.70183 -311.7834749 -311.2746607 0.007827911571 0.5570531429 0.01258058516 0.02283583758
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|
1540 65 1604.70183 -311.7836756 -311.2746492 0.007831175646 0.5564903869 0.01392046238 0.02283700702
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|
1541 65 1604.70183 -311.7687202 -311.2651045 0.007747934694 0.6386659845 0.3484006169 0.02188052447
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|
1542 65 1604.70183 -311.7714469 -311.2674219 0.007754230727 0.6169751831 0.2979994374 0.0224856681
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|
1543 65 1604.70183 -311.7744874 -311.2710971 0.007744465035 0.594810739 0.191070337 0.0221100285
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|
1544 65 1604.70183 -311.7772081 -311.2731729 0.007754388371 0.5768897343 0.1657195843 0.02427987508
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|
1545 65 1604.70183 -311.7783441 -311.2743766 0.00775334566 0.5722623191 0.07826520167 0.02341045744
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|
1546 65 1604.70183 -311.7788523 -311.2745599 0.007758344286 0.5717563196 0.06924284238 0.02311276999
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|
1547 65 1604.70183 -311.7800107 -311.2747141 0.007773793526 0.5672782493 0.03444687336 0.02260785359
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|
1548 65 1604.70183 -311.78049 -311.2747033 0.007781333457 0.5656263283 0.03900213994 0.0225760352
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|
1549 65 1604.70183 -312.3082815 -312.1287363 0.00276223269 0.9937564719 1.54194865 0.04271819371
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|
1550 65 1604.70183 -312.3637709 -312.2187507 0.002231081024 0.4628414384 0.05918640633 0.02238666143
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|
1551 65 1604.70183 -312.3637901 -312.2190409 0.002226909862 0.4646158131 0.0742889861 0.02255189342
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|
1552 65 1604.70183 -312.3638762 -312.219555 0.002220325915 0.4658210196 0.04892267893 0.02232996356
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|
1553 65 1604.70183 -312.3637798 -312.2198484 0.002214328983 0.4692574411 0.06180177563 0.02225166985
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|
1554 65 1604.70183 -312.3638184 -312.220153 0.002210235981 0.4689911132 0.03887495663 0.02229610531
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|
1555 65 1604.70183 -312.3637505 -312.2202354 0.00220792481 0.4699091573 0.05066776441 0.02243807451
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|
1556 65 1604.70183 -312.3635888 -312.2204422 0.00220225553 0.4764017616 0.04499900624 0.02258807363
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|
1557 65 1604.70183 -312.363674 -312.2204062 0.00220411902 0.4734168405 0.03359847056 0.02255983903
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|
1558 65 1604.70183 -312.3495586 -312.1986598 0.002321518934 0.5637179233 0.477116045 0.02534887851
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|
1559 65 1604.70183 -312.3527549 -312.2025184 0.002311331243 0.5426428925 0.4257655759 0.02517616177
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|
1560 65 1604.70183 -312.3579698 -312.2095824 0.002282884017 0.4903899506 0.2631201474 0.02315282596
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|
1561 65 1604.70183 -312.3605368 -312.212478 0.002277827629 0.4972813766 0.2720535465 0.02297196666
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|
1562 65 1604.70183 -312.3626369 -312.2159609 0.002256553174 0.4658891098 0.1496272607 0.02241268269
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|
1563 65 1604.70183 -312.3627527 -312.2166428 0.002247844493 0.4831735295 0.1829420177 0.02231477028
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|
1564 65 1604.70183 -312.3635707 -312.2180967 0.002238060938 0.4627797192 0.08310642569 0.02243061957
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|
1565 65 1604.70183 -312.363546 -312.2181582 0.002236735191 0.4646193119 0.09241389332 0.02252883532
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|
1566 65 1604.70183 -312.3942659 -312.236188 0.002431967233 1.094289844 1.961407897 0.05375815442
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|
1567 65 1604.70183 -312.4869678 -312.3977724 0.001372236844 0.3706678641 0.06357048513 0.01995361492
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|
1568 65 1604.70183 -312.4865725 -312.3979004 0.001364186151 0.3721241442 0.07353398066 0.0198253425
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|
1569 65 1604.70183 -312.4859152 -312.3981568 0.001350130241 0.37741182 0.03222553356 0.01991626236
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|
1570 65 1604.70183 -312.4856582 -312.3981508 0.001346267091 0.3797607408 0.03899801706 0.02007736591
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|
1571 65 1604.70183 -312.4849332 -312.3981887 0.00133452954 0.3875295106 0.0268252255 0.01952088481
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|
1572 65 1604.70183 -312.4849697 -312.3981899 0.00133507362 0.3870943405 0.02592544977 0.01953003287
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|
1573 65 1604.70183 -312.4588431 -312.3596196 0.001526516301 0.5702133282 0.7481307177 0.02605203687
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|
1574 65 1604.70183 -312.4683628 -312.3756551 0.001426272086 0.5118007634 0.5543902615 0.02028571503
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|
1575 65 1604.70183 -312.4773659 -312.387789 0.001378106 0.4316801432 0.3104521376 0.01880522466
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|
1576 65 1604.70183 -312.4823116 -312.3920315 0.001388924073 0.4060191238 0.2443965406 0.02005436782
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|
1577 65 1604.70183 -312.4847294 -312.3947988 0.001383548604 0.3852748539 0.1302215855 0.01940205752
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|
1578 65 1604.70183 -312.485631 -312.3954613 0.001387225723 0.387644372 0.1302137945 0.01947343741
|
|
1579 65 1604.70183 -312.4864839 -312.3964778 0.001384709153 0.379273845 0.09065542118 0.0196201564
|
|
1580 65 1604.70183 -312.4871444 -312.3970449 0.001386145913 0.3736283337 0.1153045014 0.0204827885
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|
1581 65 1604.70183 -311.9180596 -311.7370707 0.002784444595 1.179435995 1.617388931 0.04005932707
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|
1582 65 1604.70183 -311.9750336 -311.8253939 0.002302149528 0.5495640886 0.07287883312 0.02842620585
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|
1583 65 1604.70183 -311.9731222 -311.8255611 0.002270171289 0.5541940239 0.09144487456 0.02926247142
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|
1584 65 1604.70183 -311.9700804 -311.8260534 0.002215799891 0.5681103029 0.05727231457 0.02871445926
|
|
1585 65 1604.70183 -311.9686224 -311.8261188 0.002192363372 0.5753142225 0.06211705222 0.02843707198
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|
1586 65 1604.70183 -311.9675153 -311.8264523 0.002170201138 0.5732642771 0.04122839703 0.02837822048
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|
1587 65 1604.70183 -311.9666767 -311.8265429 0.002155903705 0.5730987781 0.05666638895 0.02832657806
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|
1588 65 1604.70183 -311.9654903 -311.8266866 0.002135441059 0.5787300019 0.03534014898 0.02832551951
|
|
1589 65 1604.70183 -311.9653014 -311.8266893 0.002132493883 0.5799275254 0.03917127154 0.02837208878
|
|
1590 65 1604.70183 -311.9648391 -311.8267943 0.00212376716 0.5789930491 0.02331143541 0.02834884322
|
|
1591 65 1604.70183 -311.9646873 -311.8268049 0.002121267515 0.5790294224 0.02847534254 0.02835961726
|
|
1592 65 1604.70183 -311.9695728 -311.807836 0.00248825908 0.6282961752 0.4364812907 0.02883502889
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|
1593 65 1604.70183 -311.9731171 -311.8096876 0.002514299874 0.5893967752 0.4247065819 0.03004444583
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|
1594 65 1604.70183 -311.9774786 -311.8167905 0.002472125019 0.5469779685 0.256668869 0.02896799068
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|
1595 65 1604.70183 -311.9796478 -311.819826 0.002458797957 0.5312347952 0.2401659989 0.02989749676
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|
1596 65 1604.70183 -311.979366 -311.8225373 0.002412749403 0.5396011038 0.1373546088 0.02904756587
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|
1597 65 1604.70183 -311.9779383 -311.8234045 0.00237744317 0.5663032595 0.150141204 0.02826340114
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|
1598 65 1604.70183 -311.9770864 -311.8245661 0.00234646664 0.5495635811 0.09489433833 0.02801191895
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|
1599 65 1604.70183 -311.9766479 -311.8246518 0.002338401636 0.5494651699 0.1160296015 0.02787470293
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|
1600 65 1604.70183 -311.7802876 -311.61284 0.002576115706 0.7636547673 1.389388578 0.04120666663
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|
1601 65 1604.70183 -311.820657 -311.6908775 0.001996608149 0.2681013748 0.107279865 0.01627814544
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|
1602 65 1604.70183 -311.8187337 -311.6934138 0.001927998231 0.2933714765 0.1196836435 0.01742728422
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|
1603 65 1604.70183 -311.8175473 -311.6942056 0.001897564933 0.3099514056 0.1484302015 0.01834209743
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|
1604 65 1604.70183 -311.8165449 -311.695683 0.00185941454 0.3243528815 0.1457329572 0.01886429651
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|
1605 65 1604.70183 -311.8125131 -311.6995205 0.001738347497 0.3815131947 0.166436411 0.02045635714
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|
1606 65 1604.70183 -311.8123255 -311.7017357 0.001701380427 0.3910880933 0.1463846837 0.02026556236
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|
1607 65 1604.70183 -311.8104482 -311.706665 0.001596664632 0.4388872322 0.1841154237 0.02097068762
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|
1608 65 1604.70183 -311.8113596 -311.7093732 0.001569021251 0.4368580974 0.1517065309 0.02107646189
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|
1609 65 1604.70183 -311.812695 -311.7151929 0.001500031356 0.4496312138 0.1847180673 0.02189262256
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|
1610 65 1604.70183 -311.8090981 -311.7153281 0.001442615779 0.5480225787 0.5104476857 0.02892512583
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|
1611 65 1604.70183 -311.8100558 -311.6734324 0.002101897956 0.419690329 0.483687256 0.01952509276
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|
1612 65 1604.70183 -311.8125252 -311.7168022 0.001472661638 0.4682841846 0.2630679349 0.02310660302
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|
1613 65 1604.70183 -311.8130601 -311.71827 0.001458310258 0.4699357086 0.248599392 0.02296566593
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|
1614 65 1604.70183 -311.8141677 -311.7218214 0.001420713509 0.4800916382 0.2183110861 0.02340330261
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|
1615 65 1604.70183 -311.8142822 -311.7251301 0.001371570155 0.5200935429 0.2417327988 0.02517859835
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|
1616 65 1604.70183 -311.8159991 -311.72737 0.001363524059 0.5115247083 0.179752837 0.0251753872
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|
1617 65 1604.70183 -311.8179856 -311.7297102 0.001358084234 0.5204336098 0.2020669559 0.02618892536
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|
1618 65 1604.70183 -311.8202401 -311.7320295 0.001357086293 0.5128912896 0.1403102391 0.02630466084
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|
1619 65 1604.70183 -311.8222046 -311.7336903 0.001361758464 0.5168744069 0.146467297 0.0270000872
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|
1620 65 1604.70183 -311.8241219 -311.7350658 0.001370093838 0.5060610643 0.09099578139 0.0270451923
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|
1621 65 1604.70183 -311.8249011 -311.735314 0.001378262507 0.503826539 0.1250668592 0.02722295849
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|
1622 65 1604.70183 -311.8131189 -311.6796296 0.002053680396 0.3901694575 0.3524291236 0.01702911929
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|
1623 65 1604.70183 -311.8264082 -311.7364508 0.001383959765 0.4994716342 0.09106363231 0.02727563247
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|
1624 65 1604.70183 -311.8273148 -311.7369162 0.001390748468 0.5060115822 0.1245486893 0.02731821142
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|
1625 65 1604.70183 -311.8288712 -311.7380594 0.001397105004 0.5119549954 0.09655823044 0.02680129471
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|
1626 65 1604.70183 -311.8302456 -311.7384547 0.001412167031 0.5266865527 0.1667789581 0.02627250435
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|
1627 65 1604.70183 -311.8317411 -311.7391844 0.001423947976 0.5288107747 0.1591503132 0.02633857816
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|
1628 65 1604.70183 -311.8360907 -311.7410332 0.001462423984 0.5374934773 0.1684189821 0.02663810018
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|
1629 65 1604.70183 -311.8445667 -311.7433445 0.001557264772 0.5620444804 0.284113402 0.02869168942
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|
1630 65 1604.70183 -311.8611883 -311.7416526 0.001839010075 0.6252726692 0.6078985961 0.03445482142
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|
1631 65 1604.70183 -311.8546961 -311.7435502 0.001709937749 0.5986312748 0.4741557584 0.03188359959
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|
1632 65 1604.70183 -311.8556252 -311.7438906 0.001718993874 0.6001603859 0.4791641612 0.03195835265
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|
1633 65 1604.70183 -311.8168097 -311.6843619 0.002037659269 0.3392897411 0.206768869 0.01385033404
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|
1634 65 1604.70183 -311.8584176 -311.7449019 0.001746394183 0.6047006999 0.4950837039 0.03225591999
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|
1635 65 1604.70183 -311.8640312 -311.7467965 0.001803610436 0.6134143982 0.5286605228 0.0330428942
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|
1636 65 1604.70183 -311.8748762 -311.7494632 0.001929430563 0.6301122558 0.6063389044 0.03586959322
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|
1637 65 1604.70183 -311.8905313 -311.7404734 0.002308583334 0.6714697458 0.8492895568 0.04408501016
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|
1638 65 1604.70183 -311.8774514 -311.749702 0.001965375524 0.6344494949 0.6294937719 0.0367026921
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|
1639 65 1604.70183 -311.8814033 -311.7543466 0.001954718333 0.6291597448 0.5897539351 0.03593762115
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|
1640 65 1604.70183 -311.8910801 -311.7653682 0.001934030264 0.6268746284 0.508858474 0.03371737393
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|
1641 65 1604.70183 -311.8985397 -311.7660341 0.002038547874 0.6875106278 0.6384762549 0.03476400372
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|
1642 65 1604.70183 -311.8964033 -311.7700033 0.001944615438 0.6424342958 0.5096465215 0.0330912913
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|
1643 65 1604.70183 -311.898978 -311.7761928 0.001889002511 0.6345429822 0.4397650545 0.03205793683
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|
1644 65 1604.70183 -311.8191418 -311.6860327 0.002047832054 0.3093654532 0.1920151336 0.01599892637
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|
1645 65 1604.70183 -311.9038801 -311.7889904 0.00176753357 0.6352972877 0.3419756759 0.02890024464
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|
1646 65 1604.70183 -311.9013001 -311.788549 0.001734632308 0.7378447129 0.7049765192 0.03152052407
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|
1647 65 1604.70183 -311.9047159 -311.7931456 0.001716466594 0.6675307141 0.4531293554 0.02775349552
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|
1648 65 1604.70183 -311.9090874 -311.8008879 0.001664607713 0.6527797374 0.3454249312 0.02781389639
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|
1649 65 1604.70183 -311.9133573 -311.8096147 0.001596040186 0.6640182797 0.2678307655 0.02879200941
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|
1650 65 1604.70183 -311.913305 -311.8097347 0.001593388302 0.6700884596 0.2876800076 0.02895694459
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|
1651 65 1604.70183 -311.9197184 -311.8139623 0.001627016554 0.6488470513 0.1975828832 0.02925447743
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|
1652 65 1604.70183 -311.9266856 -311.81628 0.001698548398 0.6433183096 0.2364727963 0.03005551181
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|
1653 65 1604.70183 -311.9342191 -311.8197224 0.001761487929 0.6090221187 0.1780470023 0.02932318866
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|
1654 65 1604.70183 -311.9384642 -311.8205408 0.001814206028 0.6121148317 0.2543760847 0.02877266759
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|
1655 65 1604.70183 -311.8207193 -311.6877615 0.002045505136 0.2732184658 0.1142191814 0.01488492441
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|
1656 65 1604.70183 -311.9441931 -311.8229968 0.001864557599 0.6006983315 0.1602485431 0.02845362741
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|
1657 65 1604.70183 -311.9509177 -311.82413 0.001950580031 0.6052160708 0.1424902397 0.02805825796
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|
1658 65 1604.70183 -311.9543001 -311.8251371 0.001987122792 0.5931785558 0.08989768538 0.02801064227
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|
1659 65 1604.70183 -311.8215367 -311.6883861 0.002048471536 0.2551304255 0.111609603 0.01525753378
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|
1660 65 1604.70183 -311.8215077 -311.6892595 0.002034588263 0.2544319514 0.08685349601 0.01530325942
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|
1661 65 1604.70183 -311.8210632 -311.6898947 0.002017976963 0.2640253556 0.1223252968 0.01603956282
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|
1662 65 1604.70183 -312.4510496 -312.3850669 0.001015119224 1.522275985 2.12467322 0.05755549417
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|
1663 65 1604.70183 -312.5939008 -312.5900157 5.97703172e-05 0.7679697629 0.09288650788 0.03528518524
|
|
1664 65 1604.70183 -312.5944533 -312.5903197 6.359395651e-05 0.7717885828 0.1082413149 0.03551521514
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|
1665 65 1604.70183 -312.5963254 -312.5912064 7.875477306e-05 0.768944628 0.07061411505 0.03552564215
|
|
1666 65 1604.70183 -312.5980082 -312.5916557 9.773092954e-05 0.7697583129 0.09532302583 0.03578391084
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|
1667 65 1604.70183 -312.6001858 -312.5924708 0.0001186918824 0.7635869818 0.06268508776 0.0355152681
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|
1668 65 1604.70183 -312.6015317 -312.5928123 0.0001341444156 0.7613019294 0.07237214568 0.03546206077
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|
1669 65 1604.70183 -312.6028156 -312.5933086 0.0001462611843 0.7596135838 0.0407745443 0.03552373799
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|
1670 65 1604.70183 -312.6033027 -312.5934126 0.0001521555881 0.7599094027 0.05425314955 0.03561925373
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|
1671 65 1604.70183 -312.6043537 -312.5937509 0.0001631198178 0.7582666475 0.03495556667 0.03545212694
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|
1672 65 1604.70183 -312.6047688 -312.5938293 0.0001683000469 0.758039578 0.04355003891 0.03541839886
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|
1673 65 1604.70183 -312.5385388 -312.5262227 0.0001894779037 0.9736850871 0.8335388397 0.03998679861
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|
1674 65 1604.70183 -312.6055765 -312.5940644 0.0001771104351 0.7613715251 0.03338051978 0.03551113723
|
|
1675 65 1604.70183 -312.6058739 -312.5941113 0.0001809633462 0.7629354441 0.04454970651 0.03556085776
|
|
1676 65 1604.70183 -312.6067496 -312.594274 0.0001919320092 0.76218105 0.02917220281 0.03566297563
|
|
1677 65 1604.70183 -312.6070602 -312.594306 0.0001962176512 0.762355929 0.03633247821 0.03571616115
|
|
1678 65 1604.70183 -312.5498604 -312.5413246 0.0001313208213 0.9372123895 0.7588044149 0.03712250837
|
|
1679 65 1604.70183 -312.5698043 -312.5649386 7.485609004e-05 0.8291261269 0.4596108311 0.0356032381
|
|
1680 65 1604.70183 -312.5823294 -312.574856 0.0001149755775 0.7844762259 0.45636622 0.03759503386
|
|
1681 65 1604.70183 -312.5889117 -312.5840378 7.498289114e-05 0.7620600529 0.2546907237 0.03668389586
|
|
1682 65 1604.70183 -312.5899061 -312.5853166 7.060693519e-05 0.7846418691 0.3093502651 0.03692013998
|
|
1683 65 1604.70183 -312.5924209 -312.5886299 5.832316176e-05 0.7688771196 0.161112223 0.03532044103
|
|
1684 65 1604.70183 -312.592421 -312.5886298 5.832675837e-05 0.7689063163 0.1612943761 0.0353233218
|
|
1685 65 1604.70183 -312.6739454 -312.7220629 0.0007402680913 1.343191702 2.018991348 0.04527428612
|
|
1686 65 1604.70183 -312.7816621 -312.8657124 0.001293080916 0.4641686185 0.10066527 0.02146516946
|
|
1687 65 1604.70183 -312.7824085 -312.8661537 0.001288387556 0.4593247121 0.1160045485 0.02140728458
|
|
1688 65 1604.70183 -312.7827086 -312.8670765 0.001297968517 0.4517531497 0.07223430571 0.02117162678
|
|
1689 65 1604.70183 -312.7827051 -312.867388 0.001302813649 0.449516663 0.09349027471 0.02138312165
|
|
1690 65 1604.70183 -312.7824798 -312.8681361 0.001317789004 0.4484744242 0.06209768045 0.02071436273
|
|
1691 65 1604.70183 -312.7820972 -312.8684286 0.001328176086 0.4503768991 0.08406537966 0.02040160332
|
|
1692 65 1604.70183 -312.7821985 -312.8690162 0.001335657337 0.4443123803 0.06841735028 0.01988581752
|
|
1693 65 1604.70183 -312.7821271 -312.8690893 0.001337879007 0.4443397399 0.09535145 0.0197221353
|
|
1694 65 1604.70183 -312.7823309 -312.8694314 0.001340007399 0.4430953333 0.06817042813 0.01978227965
|
|
1695 65 1604.70183 -312.7823828 -312.8695849 0.001341570118 0.4457869834 0.08261573572 0.0199654439
|
|
1696 65 1604.70183 -312.7473945 -312.8362187 0.001366525973 0.6483126316 0.5837512579 0.02394915354
|
|
1697 65 1604.70183 -312.7827545 -312.8699095 0.001340846201 0.4407430272 0.05698701413 0.01979456004
|
|
1698 65 1604.70183 -312.7830031 -312.8700714 0.001339511742 0.4376879403 0.06448288233 0.0197630623
|
|
1699 65 1604.70183 -312.7833513 -312.8703353 0.001338215184 0.4344058283 0.04067737912 0.01949857396
|
|
1700 65 1604.70183 -312.7523623 -312.8407055 0.001359125259 0.6093151867 0.5469053726 0.02446432141
|
|
1701 65 1604.70183 -312.7622359 -312.8522602 0.001384989407 0.5530253701 0.3270158208 0.02116701793
|
|
1702 65 1604.70183 -312.7688511 -312.8567924 0.001352943298 0.5388084188 0.3140059434 0.02284891355
|
|
1703 65 1604.70183 -312.7744313 -312.8612237 0.001335267907 0.4898473808 0.1939039557 0.02183634273
|
|
1704 65 1604.70183 -312.7769575 -312.8622631 0.001312394322 0.4911296729 0.2438804772 0.02172088284
|
|
1705 65 1604.70183 -312.7802887 -312.8644083 0.001294148421 0.4777002314 0.1566249126 0.02192524882
|
|
1706 65 1604.70183 -312.7802731 -312.8644088 0.001294396077 0.4775292694 0.1553162351 0.02191205442
|
|
# s_vIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1707 63 1604.70183 -302.4723576 -301.963864 0.008071327728 0.750320314 1.255303072 0.04115880017
|
|
1708 63 1604.70183 -302.5717944 -302.0639546 0.008060948739 0.6187173268 0.1439802587 0.02075508803
|
|
1709 63 1604.70183 -302.5825939 -302.0650808 0.008214492999 0.6244242428 0.1518789276 0.02150452627
|
|
1710 63 1604.70183 -302.59014 -302.0666063 0.008310058678 0.6199000426 0.06759786497 0.02257462601
|
|
1711 63 1604.70183 -302.5933588 -302.066815 0.008357838356 0.6199075929 0.07299485635 0.02333131964
|
|
1712 63 1604.70183 -302.594563 -302.0672434 0.008370152824 0.6302738409 0.03153428306 0.02339950165
|
|
1713 63 1604.70183 -302.5950667 -302.0673202 0.008376928291 0.6357038057 0.03175548866 0.0235473494
|
|
1714 63 1604.70183 -302.595721 -302.0673961 0.008386109012 0.6371111918 0.0141777282 0.02371652815
|
|
1715 63 1604.70183 -302.5957122 -302.067397 0.008385954944 0.637058473 0.01392129466 0.0237104142
|
|
1716 63 1604.70183 -302.4987961 -302.0161101 0.007661681659 0.474105986 0.5230398817 0.02392663237
|
|
1717 63 1604.70183 -302.503192 -302.0242245 0.007602659757 0.4439898591 0.3934456449 0.01954678748
|
|
1718 63 1604.70183 -302.5080122 -302.0319351 0.0075567795 0.4343489293 0.3097762997 0.01835626226
|
|
1719 63 1604.70183 -302.5166817 -302.041557 0.007541661249 0.4729204537 0.3339746283 0.02228314291
|
|
1720 63 1604.70183 -302.518487 -302.0422479 0.007559351126 0.496366544 0.3907744969 0.02355275633
|
|
1721 63 1604.70183 -302.5264636 -302.0489124 0.007580178774 0.517145529 0.3084001845 0.02236624687
|
|
1722 63 1604.70183 -302.5511037 -302.0592399 0.007807361893 0.6003767424 0.2324725691 0.02006996533
|
|
1723 63 1604.70183 -302.5569408 -302.0598006 0.007891115195 0.6221755331 0.264032255 0.02043092322
|
|
# s_vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1724 63 1604.70183 -300.8841762 -300.8419004 0.0006710453798 0.6284235827 1.051115235 0.03060576848
|
|
1725 63 1604.70183 -300.9193898 -300.9042829 0.0002397924092 0.2583933078 0.03525655982 0.01299729551
|
|
1726 63 1604.70183 -300.9194517 -300.9042834 0.0002407658879 0.2581963641 0.0375543632 0.01296953269
|
|
1727 63 1604.70183 -300.9197621 -300.9043871 0.0002440478229 0.2567777751 0.02279477012 0.01313096597
|
|
1728 63 1604.70183 -300.9199744 -300.9044126 0.0002470117305 0.2563509587 0.02889282738 0.01327773675
|
|
1729 63 1604.70183 -300.9201865 -300.9044777 0.0002493459214 0.2556389439 0.01859520366 0.01338601817
|
|
1730 63 1604.70183 -300.920273 -300.9044856 0.000250593198 0.2555551137 0.02383622137 0.01346126653
|
|
1731 63 1604.70183 -300.9057145 -300.8798081 0.0004112128401 0.36390673 0.4768100719 0.01722830946
|
|
1732 63 1604.70183 -300.9113674 -300.8874447 0.0003797251168 0.2864928863 0.3262189728 0.01565893517
|
|
1733 63 1604.70183 -300.913965 -300.8921993 0.0003454882923 0.243930072 0.2272705484 0.01406673723
|
|
1734 63 1604.70183 -300.915996 -300.8951476 0.0003309266263 0.2256921527 0.2720266612 0.01616298459
|
|
1735 63 1604.70183 -300.9168389 -300.8991251 0.0002811722632 0.2191219537 0.18899597 0.01461918947
|
|
1736 63 1604.70183 -300.9171511 -300.9020577 0.0002395775483 0.2571516059 0.1812047891 0.01401617794
|
|
1737 63 1604.70183 -300.9183275 -300.903866 0.0002295487258 0.2581734187 0.07416054433 0.01298516442
|
|
1738 63 1604.70183 -300.918608 -300.9039829 0.0002321439865 0.2636564226 0.07637585509 0.01316584667
|
|
1739 63 1604.70183 -300.7617275 -300.7360143 0.0004081453398 1.088700227 1.699764745 0.04991893558
|
|
1740 63 1604.70183 -300.8774935 -300.9010154 0.0003733643245 0.3607114167 0.09504134909 0.0175512115
|
|
1741 63 1604.70183 -300.8786107 -300.9012712 0.0003596898428 0.35895338 0.119374214 0.01804311121
|
|
1742 63 1604.70183 -300.8809702 -300.9024223 0.0003405096361 0.3485521663 0.07390057041 0.01757600284
|
|
1743 63 1604.70183 -300.8826139 -300.9027788 0.0003200787354 0.3445301737 0.08547472507 0.01763985169
|
|
1744 63 1604.70183 -300.8843534 -300.9033786 0.0003019866778 0.3406295906 0.06234713001 0.01750979243
|
|
1745 63 1604.70183 -300.8848416 -300.9034138 0.0002947969667 0.3409306822 0.08066884258 0.01765743441
|
|
1746 63 1604.70183 -300.8866881 -300.903892 0.0002730781818 0.3352335512 0.06653314188 0.01747203107
|
|
1747 63 1604.70183 -300.8900519 -300.9042326 0.0002250897366 0.3295322528 0.1065524981 0.01776455244
|
|
1748 63 1604.70183 -300.8914425 -300.9046115 0.0002090313739 0.3233948655 0.08556001491 0.01755127026
|
|
1749 63 1604.70183 -300.8951595 -300.9051837 0.0001591133399 0.3092128253 0.0656817627 0.01711817284
|
|
1750 63 1604.70183 -300.8187428 -300.8329203 0.0002250386172 0.6686502903 0.7696926803 0.02893269853
|
|
1751 63 1604.70183 -300.9006619 -300.9039288 5.185672745e-05 0.3015432696 0.1959501679 0.01784173528
|
|
1752 63 1604.70183 -300.8971237 -300.9051255 0.0001270121064 0.303809588 0.0951464456 0.01720386272
|
|
1753 63 1604.70183 -300.8988926 -300.9054262 0.0001037068447 0.2993990047 0.06599897376 0.0164557093
|
|
1754 63 1604.70183 -300.9012472 -300.9053614 6.530530038e-05 0.2989043437 0.08283985757 0.01600689532
|
|
1755 63 1604.70183 -300.9028793 -300.9055698 4.270649414e-05 0.2962078677 0.06327067003 0.01571277994
|
|
1756 63 1604.70183 -300.9045315 -300.9054704 1.490341623e-05 0.2973136787 0.09085590033 0.01575197133
|
|
1757 63 1604.70183 -300.9063509 -300.9057429 9.649505339e-06 0.2884697106 0.06941819226 0.01541959587
|
|
1758 63 1604.70183 -300.9088679 -300.9057308 4.979484655e-05 0.2792901158 0.08288516362 0.01507821061
|
|
1759 63 1604.70183 -300.9124455 -300.9040208 0.0001337255897 0.2811941166 0.1928511178 0.01489305758
|
|
1760 63 1604.70183 -300.9109095 -300.9051512 9.140157697e-05 0.2768393762 0.1334998331 0.01491896934
|
|
1761 63 1604.70183 -300.8321169 -300.8505367 0.0002923770173 0.5785218336 0.6213955083 0.02714631748
|
|
1762 63 1604.70183 -300.9118402 -300.9051298 0.0001065143525 0.2734345566 0.1256294185 0.01462922205
|
|
1763 63 1604.70183 -300.9142913 -300.9048357 0.0001500889137 0.2662055405 0.1107049978 0.0140471456
|
|
1764 63 1604.70183 -300.8440127 -300.8676537 0.0003752540021 0.5188296138 0.4282552364 0.02256069977
|
|
1765 63 1604.70183 -300.8532979 -300.8785697 0.0004011402898 0.5278871227 0.4623712699 0.0227838742
|
|
1766 63 1604.70183 -300.863168 -300.8902517 0.0004299000778 0.4598577172 0.2758713346 0.01977563895
|
|
1767 63 1604.70183 -300.8685231 -300.8946842 0.0004152557315 0.4364253572 0.2591136678 0.01977263307
|
|
1768 63 1604.70183 -300.8732153 -300.8986431 0.0004036150994 0.3865565469 0.1411599181 0.01802091784
|
|
1769 63 1604.70183 -300.8747138 -300.8991785 0.0003883282527 0.3761178388 0.1663823221 0.01804171093
|
|
1770 63 1604.70183 -300.7617275 -300.7360143 0.0004081453398 1.088700227 1.699764745 0.04991893558
|
|
1771 63 1604.70183 -300.8774935 -300.9010154 0.0003733643245 0.3607114167 0.09504134909 0.0175512115
|
|
1772 63 1604.70183 -300.8786107 -300.9012712 0.0003596898428 0.35895338 0.119374214 0.01804311121
|
|
1773 63 1604.70183 -300.8809702 -300.9024223 0.0003405096361 0.3485521663 0.07390057041 0.01757600284
|
|
1774 63 1604.70183 -300.8826139 -300.9027788 0.0003200787354 0.3445301737 0.08547472507 0.01763985169
|
|
1775 63 1604.70183 -300.8843534 -300.9033786 0.0003019866778 0.3406295906 0.06234713001 0.01750979243
|
|
1776 63 1604.70183 -300.8848416 -300.9034138 0.0002947969667 0.3409306822 0.08066884258 0.01765743441
|
|
1777 63 1604.70183 -300.8866881 -300.903892 0.0002730781818 0.3352335512 0.06653314188 0.01747203107
|
|
1778 63 1604.70183 -300.8900519 -300.9042326 0.0002250897366 0.3295322528 0.1065524981 0.01776455244
|
|
1779 63 1604.70183 -300.8914425 -300.9046115 0.0002090313739 0.3233948655 0.08556001491 0.01755127026
|
|
1780 63 1604.70183 -300.8951595 -300.9051837 0.0001591133399 0.3092128253 0.0656817627 0.01711817284
|
|
1781 63 1604.70183 -300.8187428 -300.8329203 0.0002250386172 0.6686502903 0.7696926803 0.02893269853
|
|
1782 63 1604.70183 -300.9006619 -300.9039288 5.185672745e-05 0.3015432696 0.1959501679 0.01784173528
|
|
1783 63 1604.70183 -300.8971237 -300.9051255 0.0001270121064 0.303809588 0.0951464456 0.01720386272
|
|
1784 63 1604.70183 -300.8988926 -300.9054262 0.0001037068447 0.2993990047 0.06599897376 0.0164557093
|
|
1785 63 1604.70183 -300.9012472 -300.9053614 6.530530038e-05 0.2989043437 0.08283985757 0.01600689532
|
|
1786 63 1604.70183 -300.9028793 -300.9055698 4.270649414e-05 0.2962078677 0.06327067003 0.01571277994
|
|
1787 63 1604.70183 -300.9045315 -300.9054704 1.490341623e-05 0.2973136787 0.09085590033 0.01575197133
|
|
1788 63 1604.70183 -300.9063509 -300.9057429 9.649505339e-06 0.2884697106 0.06941819226 0.01541959587
|
|
1789 63 1604.70183 -300.9088679 -300.9057308 4.979484655e-05 0.2792901158 0.08288516362 0.01507821061
|
|
1790 63 1604.70183 -300.9124455 -300.9040208 0.0001337255897 0.2811941166 0.1928511178 0.01489305758
|
|
1791 63 1604.70183 -300.9109095 -300.9051512 9.140157697e-05 0.2768393762 0.1334998331 0.01491896934
|
|
1792 63 1604.70183 -300.8321169 -300.8505367 0.0002923770173 0.5785218336 0.6213955083 0.02714631748
|
|
1793 63 1604.70183 -300.9118402 -300.9051298 0.0001065143525 0.2734345566 0.1256294185 0.01462922205
|
|
1794 63 1604.70183 -300.9142913 -300.9048357 0.0001500889137 0.2662055405 0.1107049978 0.0140471456
|
|
1795 63 1604.70183 -300.8440127 -300.8676537 0.0003752540021 0.5188296138 0.4282552364 0.02256069977
|
|
1796 63 1604.70183 -300.8532979 -300.8785697 0.0004011402898 0.5278871227 0.4623712699 0.0227838742
|
|
1797 63 1604.70183 -300.863168 -300.8902517 0.0004299000778 0.4598577172 0.2758713346 0.01977563895
|
|
1798 63 1604.70183 -300.8685231 -300.8946842 0.0004152557315 0.4364253572 0.2591136678 0.01977263307
|
|
1799 63 1604.70183 -300.8732153 -300.8986431 0.0004036150994 0.3865565469 0.1411599181 0.01802091784
|
|
1800 63 1604.70183 -300.8747138 -300.8991785 0.0003883282527 0.3761178388 0.1663823221 0.01804171093
|
|
# s_vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1801 62 1604.70183 -294.967269 -294.8464567 0.001948585542 1.218594517 1.936865193 0.07018029793
|
|
1802 62 1604.70183 -295.0806436 -295.0536882 0.0004347645129 0.4790963373 0.08041896133 0.02586782233
|
|
1803 62 1604.70183 -295.0802926 -295.0537321 0.0004283959526 0.4769041746 0.07305595364 0.0258122895
|
|
1804 62 1604.70183 -295.0822803 -295.0540018 0.0004561052536 0.4827606062 0.04177577511 0.02617160781
|
|
1805 62 1604.70183 -295.0831152 -295.0539914 0.000469739054 0.4862781165 0.04851777377 0.02636293026
|
|
1806 62 1604.70183 -295.0847253 -295.0539856 0.0004958013462 0.4859136314 0.02910152903 0.02721655326
|
|
1807 62 1604.70183 -295.0851906 -295.053941 0.0005040246194 0.4862233145 0.03746575669 0.02747318556
|
|
1808 62 1604.70183 -295.086573 -295.053892 0.000527113189 0.4912871924 0.0277012169 0.02755718343
|
|
1809 62 1604.70183 -295.0874571 -295.0538036 0.0005427990155 0.4947365012 0.03202675709 0.02757966265
|
|
1810 62 1604.70183 -295.088283 -295.0537477 0.0005570205494 0.4985004953 0.02262651179 0.02774139402
|
|
1811 62 1604.70183 -295.0881959 -295.0537638 0.0005553555804 0.4980341751 0.01969124237 0.02772475653
|
|
1812 62 1604.70183 -295.029949 -294.970757 0.0009547111204 0.7396593226 0.805841392 0.04335307548
|
|
1813 62 1604.70183 -295.0386647 -294.9904052 0.0007783788295 0.6635536744 0.5736876726 0.03643231585
|
|
1814 62 1604.70183 -295.0444806 -295.005392 0.0006304616882 0.5736119942 0.4288010958 0.03344168028
|
|
1815 62 1604.70183 -295.0497502 -295.0199643 0.0004804185195 0.4468914738 0.4788589248 0.03319479855
|
|
1816 62 1604.70183 -295.051136 -295.0334233 0.0002856900303 0.4129207423 0.3523211178 0.02798731759
|
|
1817 62 1604.70183 -295.0579837 -295.0457463 0.0001973759741 0.4728624277 0.364632667 0.02226013541
|
|
1818 62 1604.70183 -295.0715446 -295.0529039 0.0003006558012 0.4519891411 0.1424499642 0.02461646586
|
|
1819 62 1604.70183 -295.0754716 -295.0528367 0.0003650790921 0.4598050135 0.1613427988 0.02601902778
|
|
1820 62 1604.70183 -295.6437398 -295.7667974 0.001984800094 1.10195924 1.241933429 0.07065151044
|
|
1821 62 1604.70183 -295.6584303 -295.8428527 0.002974554285 0.9059331848 0.06042308731 0.05397685964
|
|
1822 62 1604.70183 -295.6569524 -295.8430049 0.003000846568 0.9094526182 0.06690064222 0.05432289368
|
|
1823 62 1604.70183 -295.6564402 -295.8432599 0.003013219838 0.9086009059 0.03776811079 0.0541820023
|
|
1824 62 1604.70183 -295.6563652 -295.8432638 0.00301449326 0.9086703241 0.04101536582 0.054160884
|
|
1825 62 1604.70183 -295.6562995 -295.8433898 0.003017586444 0.9083231051 0.02632908316 0.05437986763
|
|
1826 62 1604.70183 -295.6561762 -295.8434206 0.003020072199 0.9084150115 0.03543869754 0.05456229908
|
|
1827 62 1604.70183 -295.6557949 -295.8435125 0.00302770382 0.9083325981 0.02411023484 0.05431542842
|
|
1828 62 1604.70183 -295.6555932 -295.8435306 0.003031248379 0.9083652396 0.03077112026 0.05419382015
|
|
1829 62 1604.70183 -295.6551991 -295.8436004 0.003038730433 0.9077359835 0.01562662785 0.05419804785
|
|
1830 62 1604.70183 -295.6550667 -295.8436057 0.003040951876 0.9075963678 0.01708384052 0.05421298074
|
|
1831 62 1604.70183 -295.664811 -295.8167845 0.002451186226 0.9539576067 0.4894330363 0.05676022294
|
|
1832 62 1604.70183 -295.6653241 -295.8230259 0.002543576532 0.961967493 0.3758007258 0.05332260146
|
|
1833 62 1604.70183 -295.6695876 -295.8292232 0.002574766946 0.9252537287 0.2702858705 0.05397176603
|
|
1834 62 1604.70183 -295.6742874 -295.83394 0.002575040718 0.8769868905 0.3148796555 0.05736984617
|
|
1835 62 1604.70183 -295.6707987 -295.8386637 0.002707500361 0.8783058634 0.1730625895 0.05600168592
|
|
1836 62 1604.70183 -295.6665405 -295.8399442 0.002796833804 0.8904312834 0.1749793019 0.05515443315
|
|
1837 62 1604.70183 -295.6633025 -295.8416248 0.002876164849 0.8956085028 0.1010047833 0.05420892945
|
|
1838 62 1604.70183 -295.6604951 -295.8420227 0.002927864638 0.9024768604 0.1152879517 0.05365638628
|
|
1839 62 1604.70183 -295.0461536 -294.8382597 0.003353127228 1.37600388 2.058118771 0.0722426867
|
|
1840 62 1604.70183 -295.1913869 -295.0875434 0.001674894759 0.5384228473 0.1272566374 0.02884678466
|
|
1841 62 1604.70183 -295.1933445 -295.0877404 0.001703291783 0.5410308342 0.1535920653 0.02886179522
|
|
1842 62 1604.70183 -295.1981934 -295.0897485 0.001749111136 0.5321531785 0.0919085924 0.02901535344
|
|
1843 62 1604.70183 -295.2007849 -295.0902028 0.001783582116 0.532304256 0.1148826245 0.02919725649
|
|
1844 62 1604.70183 -295.2038812 -295.0912372 0.001816838525 0.5270761059 0.07476920569 0.03063718524
|
|
1845 62 1604.70183 -295.2039131 -295.091241 0.001817292116 0.527025963 0.07566021039 0.03064604276
|
|
1846 62 1604.70183 -295.204813 -295.0919271 0.001820740937 0.5297851229 0.05720549079 0.03055329227
|
|
1847 62 1604.70183 -295.2056484 -295.0923212 0.001827857396 0.5355032484 0.08758261141 0.03054308123
|
|
1848 62 1604.70183 -295.2059688 -295.0928299 0.001824821084 0.5401128075 0.05949483075 0.03048975772
|
|
1849 62 1604.70183 -295.206207 -295.0932507 0.001821876287 0.5493670609 0.05423584132 0.03047803281
|
|
1850 62 1604.70183 -295.1209654 -294.981282 0.002252958946 0.8898122487 0.9234967041 0.04631784606
|
|
1851 62 1604.70183 -295.206517 -295.0935197 0.001822537848 0.5460892841 0.03621646964 0.03069408221
|
|
1852 62 1604.70183 -295.2068227 -295.0937106 0.001824389222 0.542734279 0.04645181891 0.03110991335
|
|
1853 62 1604.70183 -295.2068014 -295.0938805 0.001821305057 0.5422880565 0.03076074258 0.03089016668
|
|
1854 62 1604.70183 -295.2067649 -295.093914 0.001820176712 0.542349488 0.03399974318 0.0308065035
|
|
1855 62 1604.70183 -295.2065119 -295.0939969 0.001814759313 0.543187373 0.02214248645 0.03079271648
|
|
1856 62 1604.70183 -295.2062121 -295.0940078 0.001809746082 0.5444369555 0.03072664822 0.03075254079
|
|
1857 62 1604.70183 -295.2059957 -295.0940237 0.001805998915 0.5439567859 0.01965117363 0.03070015397
|
|
1858 62 1604.70183 -295.2058711 -295.0940064 0.001804268216 0.5438487704 0.02250610148 0.03064174839
|
|
1859 62 1604.70183 -295.1332539 -295.0077715 0.002023908989 0.8068517379 0.6723254144 0.04044205226
|
|
1860 62 1604.70183 -295.1436372 -295.0284846 0.001857301099 0.726806571 0.4990357282 0.03730447148
|
|
1861 62 1604.70183 -295.1525193 -295.0474413 0.001694807195 0.6685669915 0.5617965412 0.03668230527
|
|
1862 62 1604.70183 -295.160941 -295.0650615 0.00154644408 0.6192132424 0.3763318358 0.03169576028
|
|
1863 62 1604.70183 -295.1686478 -295.0746943 0.001515379458 0.6225193398 0.4005004763 0.02822363663
|
|
1864 62 1604.70183 -295.1809338 -295.083709 0.001568141897 0.5558481764 0.1971474907 0.02853811156
|
|
1865 62 1604.70183 -295.1849795 -295.0842832 0.001624134492 0.5478577009 0.2301211223 0.02973089184
|
|
# vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1866 215 5415.868678 -1036.385721 -1036.518623 0.0006181454739 0.2431213524 0.1455333724 0.005585449743
|
|
1867 215 5415.868678 -1036.384954 -1036.524675 0.0006498644203 0.2141131974 0.04865629092 0.005298888018
|
|
1868 215 5415.868678 -1036.385739 -1036.519724 0.0006231862619 0.2350127249 0.1182395714 0.00558022234
|
|
1869 215 5415.868678 -1036.385501 -1036.521456 0.0006323449343 0.2251498173 0.1204748543 0.005807889219
|
|
1870 215 5415.868678 -1036.385252 -1036.521815 0.0006351761546 0.2258866846 0.1537923189 0.006003328822
|
|
1871 215 5415.868678 -1036.385021 -1036.522616 0.0006399752265 0.225564357 0.1181713349 0.00572996921
|
|
1872 215 5415.868678 -1036.384208 -1036.523741 0.0006489888967 0.2372052189 0.09590202083 0.005383629599
|
|
1873 215 5415.868678 -1036.384316 -1036.524159 0.0006504338837 0.2337800314 0.06651800554 0.005128097078
|
|
1874 215 5415.868678 -1036.384349 -1036.524443 0.0006516003837 0.2332401009 0.06506700127 0.00494223366
|
|
1875 215 5415.868678 -1036.3847 -1036.524643 0.0006508968539 0.2225426581 0.03789590619 0.005057773923
|
|
# vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1876 214 5415.868678 -1030.597359 -1030.827092 0.001073518254 0.6568175171 0.3690492999 0.01630672492
|
|
1877 214 5415.868678 -1030.594649 -1030.831236 0.001105546444 0.6357718995 0.206246824 0.01610450328
|
|
1878 214 5415.868678 -1030.590741 -1030.832172 0.001128184383 0.6329547095 0.1753841469 0.01617135952
|
|
1879 214 5415.868678 -1030.586624 -1030.833731 0.001154706519 0.6228470048 0.1305811393 0.01575729283
|
|
1880 214 5415.868678 -1030.5743 -1030.835231 0.001219300603 0.6058601727 0.1712622619 0.01462310304
|
|
1881 214 5415.868678 -1030.577138 -1030.835309 0.001206406606 0.6078505168 0.1384739781 0.01490859397
|
|
1882 214 5415.868678 -1030.57304 -1030.836422 0.001230754402 0.5944787883 0.08661607918 0.01427945197
|
|
1883 214 5415.868678 -1031.088369 -1031.461821 0.001745104162 1.034423891 0.2826455022 0.02606354909
|
|
1884 214 5415.868678 -1031.091074 -1031.465067 0.001747630392 0.999907242 0.2065295166 0.02710930528
|
|
1885 214 5415.868678 -1031.09438 -1031.4678 0.001744953637 0.9485396147 0.2160317144 0.02943955409
|
|
1886 214 5415.868678 -1031.088647 -1031.470432 0.001784042903 0.9757802746 0.1228543654 0.02787469069
|
|
1887 214 5415.868678 -1031.081787 -1031.471654 0.001821808118 1.009795661 0.1258656337 0.02641011556
|
|
1888 214 5415.868678 -1031.080595 -1031.472689 0.001832216613 0.9991597099 0.07554789307 0.02736561953
|
|
1889 214 5415.868678 -1031.078947 -1031.473011 0.001841420411 0.9907377343 0.110225689 0.0284576654
|
|
1890 214 5415.868678 -1031.075049 -1031.4736 0.001862388367 1.000964753 0.07186162854 0.02803219963
|
|
1891 214 5415.868678 -1030.690705 -1030.838186 0.0006891613824 0.7780721378 0.4067819182 0.0168982804
|
|
1892 214 5415.868678 -1030.69026 -1030.843044 0.0007139420335 0.7445862609 0.2451309087 0.01688676811
|
|
1893 214 5415.868678 -1030.6877 -1030.844175 0.0007311904853 0.7279823462 0.2296418926 0.01780383939
|
|
1894 214 5415.868678 -1030.684575 -1030.846722 0.0007576954633 0.7177751475 0.1735900426 0.01718472416
|