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=186.39296322042242 stress="-28.9440796289056 2.350631207415868 -18.520856786564426 2.350631207415868 -19.924910540407783 -2.145104731253377 -18.520856786564426 -2.145104731253377 -36.4089412940827" pbc="F T F" Rn 0.27388415 -0.08871192 0.28323854 -600.15499845 -107.88940520 -701.96429540 Rn 1.30675473 1.34938549 0.02297396 138.73903591 39.78335024 -137.61715851 Rn 1.20995547 0.00076722 1.42080825 679.65888084 -109.97160864 687.53768247 Rn 0.26480482 1.34061720 1.36912653 -218.24291830 178.07766360 152.04377144