108 Lattice="6.394322778969312 0.0 0.0 0.0 6.394322778969312 0.0 0.0 0.0 6.394322778969312" Properties=species:S:1:pos:R:3:forces:R:3 energy=7405.795828637661 stress="-30094.3111329221 -219.20653970456624 119.73005440798511 -219.20653970456624 -30121.07841071119 -301.87396782162796 119.73005440798511 -301.87396782162796 -30041.766856144306" pbc="F F F" Ne -0.01700327 -0.04139681 0.03067472 -192.05928591 -189.58685304 -225.37184835 Ne 1.02660270 1.10540593 -0.01304497 89.88680918 -41.79525328 -443.89292120 Ne 1.02955841 0.04058060 1.05830875 144.88387279 -467.28819807 20.35140080 Ne 0.03559376 1.06534546 1.01982526 -496.44644305 98.40056253 146.12955499 Ne 2.08111678 0.02792271 -0.01258716 71.44314322 -246.31939336 -246.15376594 Ne 3.21426348 1.09987017 -0.01668847 -103.04257561 -152.79491302 -372.19523525 Ne 3.20974810 0.03727483 1.09980043 -91.30676211 -506.91902260 -218.07384779 Ne 2.14383538 1.05253544 1.07327992 -28.26635773 69.00167887 -108.62681031 Ne 4.29016487 0.00876067 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Ne 1.03412073 5.36028261 2.13282965 52.19727744 325.71589378 -75.88124848 Ne 1.08143400 4.23483043 3.16404660 -110.63011320 104.95256205 137.79309789 Ne -0.00704314 5.30045960 3.18321379 -267.90386137 273.88854895 34.34916597 Ne 2.09301979 4.24166927 2.15757611 35.00113558 95.23570621 -150.70343937 Ne 3.22824122 5.31246546 2.16021793 -281.49020169 491.80956889 -137.18608819 Ne 3.16567404 4.30087140 3.16936261 59.18768430 -107.37039937 170.90955622 Ne 2.06274051 5.34032183 3.19021385 136.13520444 381.23802700 -15.42566037 Ne 4.25083291 4.29489535 2.15871584 57.92508144 -247.49042074 -81.18721011 Ne 5.35862875 5.32507120 2.08952325 262.22155403 293.12978915 50.75131708 Ne 5.31388336 4.26927862 3.17315845 325.90141216 -80.52187839 44.53157624 Ne 4.24666317 5.35492305 3.15503440 119.71351327 373.42304394 158.76964240 Ne 0.01826007 0.03874559 4.26973337 -296.09260656 -302.62418839 143.82164084 Ne 1.07682632 1.07200648 4.25906069 -79.89537163 -50.69645614 79.37059304 Ne 1.11495924 0.00738882 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152.99855966 Ne 3.19480896 5.36506199 4.24742531 -58.32609823 294.93008751 16.67555745 Ne 3.23308314 4.25083810 5.31522510 -301.57122044 91.63473933 388.23347511 Ne 2.08900851 5.30927052 5.32012828 155.93781792 275.77910861 274.44287712 Ne 4.23905937 4.26471515 4.30342885 84.04772551 -12.38450596 -259.72335200 Ne 5.29099780 5.30138948 4.23030369 278.62951068 300.92125055 48.22069604 Ne 5.35796749 4.26191974 5.34260858 257.44079370 21.52483425 246.52279623 Ne 4.24797623 5.29737787 5.34301383 57.37577939 345.30590852 295.11130094