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:Z:I:1:forces:R:3 energy=0.014229573962495306 pbc="T F T" Ne 0.02343295 0.17693618 -0.27466847 10 -0.21522219 -0.18216663 -0.24095561 Ne 0.67336434 0.58575876 0.28858938 10 0.46502679 0.13239209 0.10791516 Ne 0.45403805 -0.17258338 0.99431200 10 -0.01779978 -0.02857933 0.02675652 Ne -0.24627255 0.79768114 0.53279280 10 -0.23200482 0.07835387 0.10628393