4 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=123.36851976647309 stress="-10.130494858849326 -0.17535519331163363 0.0784592504332945 -0.17535519331163363 -10.48648891863385 -0.3696195781124904 0.0784592504332945 -0.3696195781124904 -10.320597807755812" free_energy=123.36851976647309 pbc="T T T" Se 2.60704314 0.11042859 0.20947124 20.22152207 -10.43718591 -25.24605137 Se 1.51001633 1.61269254 2.91333883 -15.27343618 -2.32608955 -11.66171138 Se 1.34655491 2.87241235 1.32230844 -15.35285413 -3.70511892 19.78625224 Se 2.91049160 1.22286420 1.43858073 10.40476824 16.46839438 17.12151051