108 Lattice="12.176077894382072 0.0 0.0 0.0 12.176077894382072 0.0 0.0 0.0 12.176077894382072" Properties=species:S:1:pos:R:3:forces:R:3 energy=-601.6963640567161 stress="-0.010718429291385414 -0.0003605898999220378 0.0006465328788715931 -0.0003605898999220378 -0.009452156554256196 8.570819928069893e-05 0.0006465328788715931 8.570819928069893e-05 -0.011521808685628276" free_energy=-601.6963640567161 pbc="F F F" W 0.00457645 0.02121299 0.04053777 -0.37034450 -0.48093400 -0.64915545 W 2.03785008 2.06064739 0.03586857 0.54960814 0.60932447 -1.26095874 W 2.00648707 0.00304072 2.06268297 1.74006134 -0.94716029 0.56638992 W 0.00559131 2.02755694 2.03749481 -1.17052424 1.12434535 0.88669652 W 4.02073307 0.02816520 0.01063879 0.22860834 -0.68604847 -0.49652142 W 6.09070739 2.03309540 0.00689780 -0.44266065 1.08756459 -1.03309190 W 6.08165178 0.02965288 2.02844843 -0.45079472 -1.17321577 1.07352630 W 4.07189708 2.06242942 2.03370270 -0.23447868 0.62553483 1.95622820 W 8.12764997 0.00571204 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