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=2.786638390632831 stress="-14.064014131043562 -0.9721712488287046 -5.784062688587968 -0.9721712488287046 -5.500769184675815 -1.5320276926862546 -5.784062688587968 -1.5320276926862546 -9.87087387194595" pbc="F F F" Ne -0.03902326 -0.21780693 0.21813893 -8.11890201 -3.03630687 -6.49162193 Ne 0.99330599 1.69410236 -0.16903503 1.35617266 1.39491788 -1.96186054 Ne 1.38201197 -0.04596263 1.22002482 8.66542716 -0.10330362 5.83465206 Ne -0.22303573 1.41661558 1.46512192 -1.90269781 1.74469261 2.61883041