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=17.201067679993958 stress="-2.6969942052358076 1.6655490886148727 0.3203381943001811 1.6655490886148727 -3.349693007224432 -0.2615721763584359 0.3203381943001811 -0.2615721763584359 -1.949406295104678" pbc="F T T" Ne 0.21219253 -0.07514625 0.26652280 -52.10655371 57.04513835 -4.77218474 Ne 1.28220450 1.78278197 0.06210000 51.11004070 -57.91308109 -20.45406734 Ne 1.63362859 -0.17297059 1.47514463 11.54093791 10.81312046 10.95555395 Ne 0.04852473 1.55473499 1.41561068 -10.54442491 -9.94517772 14.27069812