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=16.863247121193183 stress="-2.7739011771977173 1.2041355744277782 -0.3610936063019065 1.2041355744277782 -2.8747154481082537 -0.38797214464549695 -0.3610936063019065 -0.38797214464549695 -2.1352539854730526" free_energy=16.863247121193183 pbc="T F F"
Ne       0.15839933       0.09073906       0.27219963     -11.10253966     -27.69622047     -31.28219785
Ne       1.43381326       1.45316417       0.25978669      11.99298632      10.37745914     -12.69727367
Ne       1.22592512       0.18365717       1.70288723      42.95832610     -38.30950173      22.68122478
Ne       0.08343331       1.29585403       1.44809454     -43.84877276      55.62826306      21.29824673