64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=33695.9250063127 stress="-0.14414064629707843 -0.29349116919491974 -0.012140678178915409 -0.29349116919491974 -0.652632821345315 -0.10823270815643175 -0.012140678178915409 -0.10823270815643175 -0.3844571444531732" pbc="F F F" Rn 35.01153020 35.08931974 35.09361466 -1.22481952 -1.70193151 -1.70185969 Rn 36.02884819 36.49917460 36.54514894 5.53636672 -52.49942424 -44.53215193 Rn 36.91445002 37.19323455 34.84243884 5.10447848 4.01652473 -9.58797532 Rn 39.22790765 38.99433988 36.10692154 -50655.95741900 -86225.18439158 100969.35881590 Rn 37.23232853 35.05604873 37.80562145 1.47631765 -1.68987680 1.53369623 Rn 39.40607807 36.38544626 39.38594859 11.80623988 12.37755389 -19.12730798 Rn 35.77785728 37.71282534 37.81460277 -74.42035751 -859.10236195 -1037.18491726 Rn 35.84125713 38.62163564 38.90356309 199.31657166 635.61440891 1021.07633313 Rn 39.62453579 35.15134778 35.37223458 -3.28990501 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-7.20285772 0.13106700 Rn 34.63877222 42.70391467 37.66775499 -28.29352565 -5.92633680 -6.81738885 Rn 36.44820413 43.09100373 38.11439397 -12.93251977 55.25825044 -53.39575381 Rn 39.58291833 39.59958219 35.39853500 50637.90437819 86336.04374992 -101056.53506933 Rn 41.15314693 40.65476133 36.34114915 -17.70081978 3.74121782 -19.41431951 Rn 41.67867906 42.70746803 35.06416861 -0.05282655 0.49483949 -0.40640503 Rn 43.83176441 43.67690472 36.28570258 0.12805550 0.05943989 0.11849284 Rn 42.50254829 40.61313444 37.66465644 -72.44961991 -61.44263110 -17.02714824 Rn 43.86930153 41.48659587 38.21408642 97.56128135 61.38250451 38.22537557 Rn 40.49899368 42.64601796 37.86267581 -84887.29994649 -205496.49876440 -119197.69107313 Rn 40.82004438 43.42320655 38.31347182 84888.80830993 205499.17487165 119195.07511437 Rn 34.68089575 34.93286882 40.02281704 0.04249377 0.03567964 -0.02763952 Rn 36.40607660 36.75780989 41.53762568 -3.43924841 0.81382126 3.12504675 Rn 37.72137884 37.23079232 39.92157412 -13.89099650 8.72408896 0.44466528 Rn 38.93126088 39.01000337 40.90394829 -319.59057295 -29.11720985 341.00351761 Rn 36.83675561 34.66203271 42.20937945 0.61313222 -2.87922825 0.88123104 Rn 38.69864434 36.20809773 43.82865393 -6.29128832 -11.45620224 7.61048310 Rn 34.64671856 38.12785918 42.44313411 -724.66043288 -316.55312952 -584.91825841 Rn 35.72173836 38.59890653 43.31231882 723.89035831 317.37137760 585.40392417 Rn 39.72911486 34.70338346 40.28231572 0.21614187 -28.66233013 6.04522726 Rn 40.51141025 36.28888623 41.34472841 -8.37415985 13.94307920 -2.97512545 Rn 42.27796895 37.36045391 39.25038287 -6.25030563 2.49526860 1.79216694 Rn 43.15838170 39.07335856 40.54321262 1.49013616 0.97663306 -1.25469608 Rn 42.03332143 35.46924042 42.28639784 14.46961446 -7.87728642 8.90068929 Rn 43.95133535 36.13286234 44.03917753 0.09853921 0.07633326 0.09475326 Rn 39.52980250 37.72242569 42.81937930 -2.11614939 9.98976808 -6.10203775 Rn 41.51501141 38.34075887 43.07309352 -477.33418321 -446.42320234 149.93541635 Rn 35.15250040 40.01301569 39.25982279 -136.33567291 275.58522279 70.57303949 Rn 36.54991295 41.99299626 41.17637877 61.48946053 -14.13910537 -36.09038589 Rn 37.26896202 42.11063608 39.31581598 32.53127463 -43.27146411 47.51716853 Rn 38.70625232 43.36349865 41.01819951 -4.28129465 4.84191090 -6.05576922 Rn 38.10983081 40.27079682 42.37867377 -857.69604186 -1021.35633335 -1692.00018412 Rn 38.65421712 40.92387031 43.45953352 850.53175110 1020.14193881 1700.93752030 Rn 35.15680152 42.26443375 42.21535774 -68.99949690 9.05789295 45.57261402 Rn 35.66223373 43.60758234 43.78938420 1.55504052 4.03001356 4.72462346 Rn 39.98204476 39.09593217 39.77584408 -164.75151932 -7.23200920 155.64172638 Rn 41.32379709 40.84808518 41.16006542 -0.36572904 -0.31562070 0.11358750 Rn 42.39805701 42.54518024 39.78513389 0.71789452 0.18717550 1.16736898 Rn 43.66674620 43.85600337 41.53594910 0.21555260 0.21919025 0.35380990 Rn 42.59085527 39.33644679 42.74259241 483.11280199 446.80670082 -146.83529593 Rn 43.93928171 41.13499812 43.09344380 1.44354066 2.00332953 0.34049407 Rn 39.81391029 42.36058681 42.45975634 -61.17753866 -54.65277026 -52.64044909 Rn 40.96382572 43.27963696 43.37012081 70.12842994 55.99562695 55.45916953