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=105.13340149287876 stress="-11.237348573311879 -1.3702628392652556 2.188318226630979 -1.3702628392652556 -9.198321502996697 -3.514054378484816 2.188318226630979 -3.514054378484816 -11.83213880456117" free_energy=105.13340149287876 pbc="T F T" Ta 2.91661558 0.22586561 0.29391194 39.63153677 -104.00756712 -92.27416820 Ta 1.44697821 1.52103145 2.56746321 -25.52985552 78.61829962 43.63118926 Ta 1.68220204 0.23573857 1.52724172 -86.68224888 -125.84786384 9.46945731 Ta 2.77538150 1.20296332 1.34887301 72.58056763 151.23713134 39.17352162