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=80.15040728440331 stress="-10.903186629653538 0.184804227695514 -0.5254379994367053 0.184804227695514 -10.965354066757477 2.3775108684368367 -0.5254379994367053 2.3775108684368367 -7.391288703533857" free_energy=80.15040728440331 pbc="T T F" Ta 0.16431082 2.59122156 0.03277713 -34.58737657 43.62474901 -84.86807163 Ta 1.39971974 1.37366136 0.21813893 29.46826082 7.45803961 -88.83817862 Ta 1.26716069 0.19410236 1.33096497 23.85862056 -44.41413813 88.33294545 Ta 2.88201197 1.43300593 1.22002482 -18.73950481 -6.66865049 85.37330479