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=71.63127841387937 stress="-6.371630235127173 0.47031715163415755 -1.4455182950914813 0.47031715163415755 -9.34749162198106 -1.0851811885183078 -1.4455182950914813 -1.0851811885183078 -11.728226778515353" free_energy=71.63127841387937 pbc="F T T" Ta 0.02031036 0.18745344 0.23996280 -80.71032623 -9.90570594 -42.99100816 Ta 1.37970777 1.77711528 2.87871118 61.36283631 -36.33361539 -18.52707604 Ta 1.25213077 2.73125112 1.21824351 77.40005219 28.07997825 51.15528199 Ta 0.13616082 1.26429260 1.62968218 -58.05256228 18.15934308 10.36280221