500 Lattice="36.33202532534187 0.0 0.0 0.0 36.33202532534187 0.0 0.0 0.0 36.33202532534187" Properties=species:S:1:pos:R:3:forces:R:3 energy=-288.4343379400002 stress="-6.047502723642027e-05 2.67400667006903e-06 -3.075862791687702e-07 2.67400667006903e-06 -6.437436500241193e-05 -2.7918186272403338e-06 -3.075862791687702e-07 -2.7918186272403338e-06 -6.464642706383001e-05" free_energy=-288.4343379400002 pbc="F F F" K 0.01111912 0.00575311 0.03928226 -0.06826271 -0.07398350 -0.07503204 K 3.57069718 3.65344751 0.01959917 0.08040525 0.06253648 -0.14647240 K 3.57000525 0.05000469 3.64364680 0.08896552 -0.14106447 0.06784345 K 0.05995773 3.59698221 3.56722161 -0.14285662 0.08716874 0.10517450 K 7.27734631 0.06888821 0.04092418 0.00637799 -0.09588206 -0.10261130 K 10.91505719 3.70395676 0.06302943 0.00169848 0.05751148 -0.13037543 K 10.83508137 0.07186096 3.64780732 0.02110367 -0.12799745 0.06993536 K 7.22761320 3.58966609 3.57598779 0.02098180 0.13273127 0.13140926 K 14.57649762 0.03888932 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