256 Lattice="11.332185745239258 0.0 0.0 0.0 11.332185745239258 0.0 0.0 0.0 11.332185745239258" Properties=species:S:1:pos:R:3:forces:R:3 energy=94196.7993275511 stress="-262.88600338249825 0.14847449402573265 -0.9290789717503899 0.14847449402573265 -262.54937285026733 0.47393888693531916 -0.9290789717503899 0.47393888693531916 -263.1064013398621" free_energy=94196.7993275511 pbc="F F F" Kr 0.03715728 0.03243158 0.02985856 -917.46088657 -992.23006854 -914.09662500 Kr 1.38196558 1.41544655 0.00533853 580.49881788 37.39241094 -1345.03547710 Kr 1.36574892 0.01284174 1.46667696 799.56493330 -1501.60615423 -556.97095732 Kr 0.02946298 1.40187614 1.40480006 -1738.91037709 215.27258506 43.81633923 Kr 2.79327100 0.00515325 0.04892239 -259.47696420 -1027.84556804 -991.26878842 Kr 4.21183710 1.36162815 0.00273283 256.33573457 530.50765474 -1367.33942673 Kr 4.22365055 0.01443577 1.37805489 261.84455059 -1579.93415387 418.78995917 Kr 2.88734910 1.42234223 1.47678744 -397.01856053 154.70891058 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