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=44.569431589000196 stress="-9.309047054894847 0.10859773479925572 -0.1450777146985647 0.10859773479925572 -9.460773440616594 -0.22701630464344447 -0.1450777146985647 -0.22701630464344447 -9.59540762371083" free_energy=44.569431589000196 pbc="T T T" Ta 2.85498893 0.11042859 0.20947124 1.02107157 -4.72247489 -13.51031043 Ta 1.51001633 1.55280714 2.91333883 -2.73502505 -5.53377779 3.75529105 Ta 1.40644031 2.87241235 1.32230844 2.47194800 2.57310658 -0.48241073 Ta 2.91049160 1.22286420 1.14103818 -0.75799452 7.68314609 10.23743010