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=19.87812648789259 stress="-1.0932441188080457 -1.707782573949216 0.026233769437671597 -1.707782573949216 -0.4651628669698522 -0.06340663629395833 0.026233769437671597 -0.06340663629395833 -0.7846715173378621" free_energy=19.87812648789259 pbc="F T F" Ta 0.13362859 2.56851577 0.07034430 -9.11792188 -23.13165062 -10.10315662 Ta 1.54852473 1.55473499 0.13661615 10.18599517 22.95800195 -7.02946374 Ta 1.49091642 2.87719504 1.33238185 10.92408839 9.87395735 6.97958045 Ta 0.11041876 1.26735611 1.33533445 -11.99216168 -9.70030869 10.15303991