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=3.964831819998227 stress="-12.914403447271193 5.7571389138064575 0.25332584036149974 5.7571389138064575 -11.259915120759652 0.7834839035264309 0.25332584036149974 0.7834839035264309 -6.972520233988223" pbc="F F F" Ne 0.23171545 0.18190327 -0.17816502 -1.98303126 -1.75409756 -2.20541451 Ne 1.71219253 1.42485375 0.12990665 2.53765525 2.72241952 -2.18042937 Ne 1.28220450 0.28278197 1.56210000 7.92552029 -8.60421863 2.96449151 Ne 0.13362859 1.32702941 1.57034430 -8.48014428 7.63589667 1.42135238