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=100.51987441038887 stress="-4.615472813024031 -0.13797934904609807 -0.23388167361458895 -0.13797934904609807 -7.524770992631758 -0.07027884076392965 -0.23388167361458895 -0.07027884076392965 -7.51256992793458" free_energy=100.51987441038887 pbc="F T T" Na 0.23222247 0.16516616 0.09074991 -45.26044699 -14.12494213 1.32755425 Na 1.65184102 1.38866340 2.80602228 48.16549297 11.05341871 14.93307709 Na 1.51937637 2.98052389 1.58924611 43.39646679 -9.21761097 -11.59386785 Na 0.22394592 1.43540691 1.54706153 -46.30151277 12.28913439 -4.66676349