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=3.3932068748935413 pbc="T T T" Ne -0.17002186 -0.10125866 -0.21659865 10 -0.00087065 -0.00490088 0.00699870 Ne 0.59152634 0.63698269 0.12440633 10 29.92021076 0.96179794 -56.95750848 Ne 0.79281912 -0.16772619 0.69845677 10 0.23328685 -0.44012957 0.06799848 Ne 0.28752373 0.62837832 0.70207705 10 -30.15262696 -0.51676748 56.88251130