32 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=494.8446864802653 stress="-3449.525560300708 632.501360964387 -1303.9707907170487 632.501360964387 -1898.4452175636184 64.42376019311973 -1303.9707907170487 64.42376019311973 -638.1956938533949" pbc="F F F" Ne -0.06650687 -0.05721043 0.26521076 -6.99578701 -5.63805575 -4.51877003 Ne 0.54305738 0.36701679 0.44522573 -59.62067561 143.92431993 -82.58261241 Ne 0.81739927 -0.11486837 0.68842481 73.49166653 -140.55023865 64.11898849 Ne 0.08355722 0.30229837 0.98827865 -13.93858555 -0.04145893 16.95063611 Ne 1.78941125 0.06857434 0.07593621 -1097.26119279 -2765.91958850 -550.09481208 Ne 1.96289193 0.51488658 0.16331939 -6079.53232352 5431.43325683 -2077.67892520 Ne 2.36252029 0.36506657 0.30956985 7176.68587620 -2665.89850486 2627.48185443 Ne 1.76396943 1.01687688 1.03938949 150.95457674 -53.40286764 26.15527015 Ne -0.01045167 1.88610077 0.05645598 -201.17358842 -370.03179652 -357.27898854 Ne 0.87099404 2.32102493 0.27105212 25.57334979 3.50790584 -5.14977881 Ne 1.20396633 1.20988614 0.89926886 -149.10638164 51.09643731 -37.92029009 Ne 0.19132862 2.25737538 0.41498009 175.08652754 367.51573527 362.77495241 Ne 1.26070247 1.57437407 0.03495211 0.46800321 -0.91736997 -0.69311612 Ne 2.17841111 2.04178592 0.09402627 -2.51253690 14.57309450 -6.85554808 Ne 2.29618255 1.38793351 0.38175036 3.05487364 -14.13382743 6.17378388 Ne 1.75846085 2.43717283 0.88198907 -378.39954337 104.04148177 -108.07040009 Ne 0.06209017 -0.25969422 1.96364130 -5.71282362 -0.72412059 -3.32003952 Ne 0.82827738 0.28761162 1.42460910 -3.36432505 2.87505792 5.22962723 Ne 0.73214718 -0.20356817 2.34983976 7.46199237 -4.52865745 3.31024868 Ne 0.45371654 0.53198278 2.34163209 -1.91456818 5.19501572 0.14871064 Ne 1.47520105 0.03748595 1.06319624 10.49425125 -0.57693281 0.75638979 Ne 2.43661005 0.56182872 1.30706967 1.30450352 -1.22296438 0.02311290 Ne 2.39993528 -0.10227441 2.18993969 -0.01775573 0.00181322 0.00452840 Ne 1.47128906 0.67152739 2.27369528 -0.13956167 -5.17107477 5.03157879 Ne 0.01717170 1.59911551 1.73258176 1.15254308 -20.00045736 -14.46312629 Ne 1.18382959 2.46889199 1.53024643 -0.91901147 0.10220620 0.69001695 Ne 0.96111697 1.44806347 2.22795765 -3.80828425 -0.41216525 2.04391280 Ne -0.01572603 2.16741946 2.14293764 -1.13358347 19.98552810 14.43049498 Ne 1.52277475 1.20067607 1.71489357 -0.25091040 6.46205171 4.27272211 Ne 2.28616483 2.29241124 1.03121780 379.23171284 -103.98231698 107.47513800 Ne 2.43480539 1.06234510 2.06524757 0.20461511 0.37678730 0.62291863 Ne 1.18922699 2.21966554 2.44993039 0.63694683 2.06170623 0.93152189