108 Lattice="6.463159856309367 0.0 0.0 0.0 6.463159856309367 0.0 0.0 0.0 6.463159856309367" Properties=species:S:1:pos:R:3:forces:R:3 energy=1314.9899027756774 stress="-11.048072657043251 -0.0355129199207504 -0.025432043966962303 -0.0355129199207504 -11.049760471064946 -0.03217225730257386 -0.025432043966962303 -0.03217225730257386 -11.051047041937638" pbc="F F F" Ne 0.00704885 0.03599806 0.01894769 -21.01288278 -19.48050046 -21.33802962 Ne 1.10946598 1.07198912 0.02628510 -4.04462033 3.20834793 -38.32279921 Ne 1.04428674 0.04129819 1.05395799 3.08610930 -38.92167664 7.50300500 Ne 0.00500470 1.09967523 1.06794970 -38.85394353 -3.49176129 2.29467996 Ne 2.13284519 0.02231692 0.04033821 3.40958376 -31.14841181 -29.46665401 Ne 3.27575411 1.05894177 0.01648503 -9.55345163 6.85807987 -38.54102773 Ne 3.26947784 0.01206520 1.05260833 -6.75510578 -39.37319417 6.11696918 Ne 2.17471709 1.05887697 1.05904686 3.28222834 4.21603786 7.16954170 Ne 4.27733807 0.04266452 0.01531586 8.31547461 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3.23191847 8.36709683 3.17087318 1.97681460 Ne 0.01419691 3.23432642 3.19521088 -36.14887159 2.14069695 10.80274460 Ne 2.11868455 2.17650533 2.12940072 9.27279482 -0.63888141 2.95471181 Ne 3.27689064 3.28460362 2.15526806 -5.79141203 -4.22987729 -2.00716137 Ne 3.23493672 2.20431543 3.24383715 0.23645488 -6.15013395 -7.56568796 Ne 2.16748694 3.26542857 3.26434176 -6.71675952 -7.57570235 -4.19685191 Ne 4.27709418 2.14415357 2.14058675 6.84636334 3.88729505 1.67115127 Ne 5.41504875 3.19893024 2.13727396 28.55987019 0.77515151 1.93580623 Ne 5.38211699 2.13620640 3.25726405 32.50166071 1.60963048 -7.16047530 Ne 4.28336771 3.26917740 3.24700160 8.73426186 -1.94717199 -1.75056651 Ne 0.03303571 4.29992494 2.17141059 -35.82206891 2.15432864 -4.36208359 Ne 1.04724121 5.38307295 2.19549041 4.83431750 35.90535182 -6.19580465 Ne 1.09985516 4.34717623 3.24181627 -4.87453816 -9.44141368 0.38971108 Ne 0.00383686 5.35001198 3.27576194 -33.62262802 27.61787254 -3.95294097 Ne 2.12958530 4.26131776 2.16207446 -0.53003154 4.28695826 -3.08814033 Ne 3.20552869 5.35370559 2.18157127 1.96680553 36.36561009 -0.16320648 Ne 3.19156267 4.28308099 3.28427813 5.39420866 4.23900236 -2.24923022 Ne 2.16588147 5.35420510 3.20152358 -1.06375779 40.18649961 0.67386122 Ne 4.28949504 4.35037968 2.20042255 4.79731075 -5.08946008 -4.64609184 Ne 5.35682598 5.40005159 2.15875950 28.67247923 26.91430028 -1.48923793 Ne 5.40521950 4.31703611 3.22651946 36.44763166 -4.73558532 -0.51416897 Ne 4.34854161 5.34464670 3.27214426 -6.98456150 38.83834918 -1.76927085 Ne 0.03912909 0.00123099 4.37949330 -28.07594917 -26.72911806 -5.20831264 Ne 1.12437721 1.08885028 4.33904179 -7.59434755 -0.56224133 -4.89614851 Ne 1.11128799 0.03590692 5.37506048 -2.74566332 -30.95023892 32.56380712 Ne 0.00027116 1.06652247 5.38293867 -26.99900506 1.89073482 28.55766419 Ne 2.15922857 0.03923826 4.34588091 4.10842618 -41.45573787 -5.71796325 Ne 3.19134844 1.11394341 4.34619476 12.48786521 -4.67574424 -2.72290831 Ne 3.25107155 0.00661916 5.41760828 -1.94756993 -29.07463463 24.35573519 Ne 2.14085862 1.06297876 5.36816737 4.29024986 6.40274392 44.06754820 Ne 4.35070756 0.01822788 4.29829090 -8.30069514 -34.73965078 2.18323565 Ne 5.38901612 1.09029635 4.29723558 33.79858436 0.71100957 3.78084188 Ne 5.40830451 0.01198882 5.34882619 20.15792837 -18.59806949 19.44225506 Ne 4.27820869 1.01749005 5.39884155 5.88021288 6.53723952 33.19083927 Ne 0.03765052 2.11186686 4.28776929 -38.51378359 4.29789276 1.40830147 Ne 1.11502509 3.23708557 4.34645571 -4.01536192 0.79699958 -9.96787234 Ne 1.05986472 2.18087065 5.36258097 1.90820022 -6.65097392 38.49097812 Ne 0.03422965 3.19259571 5.35462575 -32.53159054 1.63540493 27.55262499 Ne 2.17763614 2.13160712 4.30772733 -5.30195788 6.13577854 2.38118855 Ne 3.20967798 3.17089650 4.30625135 0.28228317 10.29886070 7.55659574 Ne 3.27382933 2.17924321 5.41627489 -4.94454498 -5.22554298 37.67936869 Ne 2.13152236 3.20090094 5.40135202 6.51639991 3.80727708 35.52770912 Ne 4.31569082 2.19026773 4.32047339 0.77842567 -8.45148410 0.40250255 Ne 5.41660693 3.17771031 4.26787036 32.76248206 8.19376965 4.18877045 Ne 5.42504162 2.13192677 5.36446873 23.61717786 -0.14330711 27.78549090 Ne 4.28553933 3.20236023 5.38621631 7.77304152 7.61969467 34.14454969 Ne 0.00852631 4.32800459 4.36738744 -37.54863032 -5.71316843 -2.05723824 Ne 1.03128253 5.36265402 4.27096524 6.84776720 40.01133585 8.16259475 Ne 1.07438723 4.28771487 5.39474652 1.95731362 5.48547768 37.45689612 Ne 0.04115387 5.42286893 5.41069412 -16.63147672 18.69131316 19.25946726 Ne 2.13565219 4.36013277 4.30979077 -0.67660997 -4.32460105 8.18724549 Ne 3.18673345 5.37776047 4.30909986 3.94031376 40.19431714 -1.74053099 Ne 3.23493855 4.32975745 5.34602039 -1.68572939 -4.65274058 36.50564898 Ne 2.17139019 5.41588871 5.40592394 -4.76508111 25.32552307 25.81226913 Ne 4.29856690 4.34528595 4.32497472 4.65850796 -7.06565781 2.91987836 Ne 5.40981940 5.39395198 4.27672159 27.98846666 26.42432658 5.34012278 Ne 5.41665796 4.29138727 5.35383672 23.36264156 0.12349749 24.04280429 Ne 4.30089799 5.41718207 5.36927751 3.57045121 25.94811078 25.81208382