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=0.966273566977495 stress="-3.6565136168456305 -1.0818262380338663 -0.524713722380344 -1.0818262380338663 -2.646594649873754 0.5069739848585647 -0.524713722380344 0.5069739848585647 -3.667699103512399" pbc="F F F" Ne 0.27219963 -0.06618674 0.13132919 -1.86176354 -1.45659047 -0.96560669 Ne 1.75978669 1.22592512 -0.21495266 1.17346025 1.50211338 -1.22960263 Ne 1.68365717 0.20288723 1.58343331 1.18590733 -0.62208967 1.80078787 Ne -0.20414597 1.44809454 1.72094491 -0.49760403 0.57656677 0.39442146