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=2.4499669034194125 pbc="T F F" Ne -0.00548572 -0.15873180 -0.15859300 10 -1.41809801 -2.34142465 -1.15388808 Ne 1.31668137 1.41986395 -0.25603453 10 3.71498381 2.16641271 -5.93184360 Ne 1.37578640 0.27219963 1.43381326 10 2.86757041 -4.43480049 3.44239208 Ne 0.13132919 1.75978669 1.22592512 10 -5.16445621 4.60981243 3.64333960