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=3.1283269831611284 stress="-1.8435551614931722 -2.1698043533225935 0.4831231167551012 -2.1698043533225935 -4.221189471692329 -1.0687960708465767 0.4831231167551012 -1.0687960708465767 -2.2256444276471794" free_energy=3.1283269831611284 pbc="F T F" Ta 0.07255377 0.01129231 0.01258782 -26.92735253 -46.84450285 -20.89247697 Ta 1.66911338 1.30454100 0.12365747 39.06951359 30.43537921 -17.52967289 Ta 1.45588739 2.95297513 1.34681875 -9.16324925 7.38795035 11.29586464 Ta 0.04737131 1.40049473 1.74404962 -2.97891181 9.02117329 27.12628521