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=1716.8551336246258 stress="-155.08038946099433 -20.792710496746956 -5.275241961355433 -20.792710496746956 -91.9721343672985 6.952250610383244 -5.275241961355433 6.952250610383244 -100.42338582456702" free_energy=1716.8551336246258 pbc="T F F" Cs 0.10338854 0.24759167 0.11018303 -327.83885589 -1037.18894467 -794.30245526 Cs 1.42518197 1.24663523 0.18843096 269.49468458 1374.87451727 -1173.22640329 Cs 1.67061300 0.29169807 1.46863002 -173.92241078 -1239.65128141 1247.60291495 Cs 2.94630638 1.53851086 1.64982991 232.26658209 901.96570880 719.92594360