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=1.7427606876035056 stress="-8.824045873045335 0.24758763508983003 3.2214894293804757 0.24758763508983003 -6.379997725979435 -0.40891520288298144 3.2214894293804757 -0.40891520288298144 -7.909370607397501" pbc="F F F" Ne 0.47197922 -0.14416822 -0.21495266 -1.81185791 -1.92961572 -1.83121190 Ne 1.68365717 1.48509173 0.08343331 5.31627414 1.47929212 -3.44282005 Ne 1.29585403 -0.05190546 1.72094491 1.44760235 -1.81538089 2.08361817 Ne 0.23171545 1.68190327 1.32183498 -4.95201858 2.26570448 3.19041378