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=8687.876402608275 stress="-1001.6432160036713 112.70024228632646 35.24597478574469 112.70024228632646 -1626.1273285795223 639.9871365044027 35.24597478574469 639.9871365044027 -1402.6228529551488" pbc="T T F" Ts 0.29637386 -0.27508777 0.19085033 -9550.58480897 21857.22363765 -21722.30452379 Ts 1.50592118 1.40368325 0.04625892 10266.81086957 -7652.68006480 -5017.06825394 Ts 1.47151232 0.08400722 1.73912162 7689.37738514 4259.33280637 4957.37176444 Ts 0.24939198 1.69918534 1.54380388 -8405.60344574 -18463.87637922 21782.00101328