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=13.532831988747388 stress="-2.401890406425675 0.8162949459534338 -0.7515512693755717 0.8162949459534338 -2.004950656143978 -0.3799549674814503 -0.7515512693755717 -0.3799549674814503 -2.0397014684052213" free_energy=13.532831988747388 pbc="T T T"
Ne      -0.14459490       0.11115480      -0.01275680      24.83451299     -27.07799066      -1.67629636
Ne       1.70960170       1.31143450       0.04092907     -42.54846914      25.42215101     -16.49753774
Ne       1.35333724       0.05786860       1.64041416      -2.49008814      -4.93652222      -4.50798358
Ne      -0.22187219       1.51878885       1.32834452      20.20404429       6.59236187      22.68181767