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:Z:I:1:forces:R:3 energy=8.12632131817548 pbc="T T F" Ne 0.20996341 0.10662489 0.15300231 10 -22.85889840 1.51546405 -19.89899577 Ne 1.53848316 1.49028240 -0.08147842 10 3.66807071 0.65052111 -5.30717439 Ne 1.45789336 -0.11174318 1.27041603 10 25.86497948 4.74697744 20.43410854 Ne 0.19178619 1.67895518 1.79140871 10 -6.67415179 -6.91296260 4.77206162