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=10.672731469705496 stress="-1.3386073587182286 0.07523037072939998 0.17224837278840235 0.07523037072939998 -2.4372720326481936 -0.5067039758384836 0.17224837278840235 -0.5067039758384836 -2.7111250577529384" free_energy=10.672731469705496 pbc="T F T" O 2.91852158 0.19178619 0.17895518 11.56033568 -23.98558496 -19.07377023 O 1.79140871 1.61455359 0.09583508 -9.80731623 23.18830858 -4.76171537 O 1.64904689 0.10609294 1.46603997 -11.43813013 -26.25624913 5.32567410 O 2.80598025 1.32157598 1.51361598 9.68511068 27.05352551 18.50981150