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=13.750639028935995 stress="-1.2934123705184324 -0.09892901464333935 0.13785311781650342 -0.09892901464333935 -0.6691085204934647 -0.04798050127085614 0.13785311781650342 -0.04798050127085614 -0.6743214994218265" free_energy=13.750639028935995 pbc="T T T"
O       -0.04702487      -0.15318125      -0.13105901       0.54287250      -1.41650675      -2.66953630
O        1.54737131       1.53238783       0.52318595       3.18010206       0.07899113      -1.82590432
O        1.36810690       0.12937675       1.25818085      -3.46808586      -0.73555903      -2.38099285
O        0.09119645       1.29640878       1.71456242      -0.25488870       2.07307466       6.87643347