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=92.03714768366213 stress="-5.428959741912879 -0.023967273648370382 -0.009081253918541553 -0.023967273648370382 -6.545554228248236 -0.03108494368745209 -0.009081253918541553 -0.03108494368745209 -7.551901438603773" free_energy=92.03714768366213 pbc="F T T" Ta 0.03851086 0.14982991 0.03256099 -60.18325095 -26.16725337 -17.99573125 Ta 1.32929456 1.28747849 -0.17324360 59.22387625 25.10911754 -23.13648371 Ta 1.37993804 0.28095696 1.15207705 62.44069365 -28.57331265 18.74840203 Ta 0.26008946 1.37675974 1.11776747 -61.48131896 29.63144849 22.38381294