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" free_energy=17.201067679993958 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