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=2.8712857659987203 stress="-0.2931681207307572 -0.0004368246911116707 0.02958349957148538 -0.0004368246911116707 -0.3522312675918797 -0.024953921188073675 0.02958349957148538 -0.024953921188073675 -0.3355939705447656" pbc="F F T" Ne 0.10170120 0.00082602 0.24624097 -2.37368802 -3.57808678 -2.28853446 Ne 1.64302402 1.35498893 0.11042859 3.12041314 3.03671305 -3.05918408 Ne 1.70947124 0.05280714 1.41333883 2.02349456 -3.02174501 2.33632278 Ne 0.15488783 1.55988540 1.20245745 -2.77021969 3.56311873 3.01139577