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=127.43461650343735 stress="-3.809254594036824 0.1456621108641294 -0.0901590250714432 0.1456621108641294 -8.186310180107023 0.05036030984392603 -0.0901590250714432 0.05036030984392603 -3.881819407977812" free_energy=127.43461650343735 pbc="F T F" Sr 0.13661615 -0.09519967 0.11041876 -45.53609060 -6.50048977 -36.81639971 Sr 1.26735611 1.33533445 0.08611608 36.91596732 8.75612477 -49.16738113 Sr 1.53369179 0.02598936 1.22329650 48.35032073 -10.90581549 35.70129541 Sr 0.29874826 1.27290972 1.38090187 -39.73019744 8.65018049 50.28248543