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=771.280023790227 stress="-66.41599727302732 9.401510489381224 -11.701864136427684 9.401510489381224 -162.07284031386322 -36.189191108168906 -11.701864136427684 -36.189191108168906 -127.72072262657925" pbc="F T F" No 0.14845728 0.13254697 0.17492567 -698.65506344 -748.56617608 -1487.78998358 No 1.74485518 1.67891319 0.06114782 314.48803633 18.89841238 -1263.01722130 No 1.79536560 0.18587765 1.28542886 756.41235664 -110.19632326 1508.23012269 No 0.02638166 1.46933735 1.48660427 -372.24532953 839.86408695 1242.57708219