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" 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