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=0.7447232062799023 stress="-2.1906673695109253 0.516730550307941 -0.2973431164425251 0.516730550307941 -3.6284140386300456 -1.7959073718741587 -0.2973431164425251 -1.7959073718741587 -3.777598767163843" pbc="F F F" Ne -0.22238644 0.18220204 -0.10637159 -0.58821308 -1.69213954 -2.08946484 Ne 1.73573857 1.43422538 -0.04354740 0.56613874 0.36165768 -0.27962577 Ne 1.20296332 -0.15112699 1.72083292 0.76556250 -0.87833091 0.57737529 Ne -0.21015034 1.48735431 1.42299150 -0.74348816 2.20881277 1.79171533