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=48.5722708446149 stress="-5.420218138142336 -0.036167091241121 -0.013298087224993819 -0.036167091241121 -5.2428436597653345 -0.2110764137027411 -0.013298087224993819 -0.2110764137027411 -3.470123425742168" free_energy=48.5722708446149 pbc="T T F" Ta -0.15379940 0.01821382 0.15586213 5.40512251 -11.19870410 -28.41867156 Ta 1.40395547 1.33226600 0.12036030 -4.99589227 7.94481236 -31.73222950 Ta 1.45631248 0.43863244 1.64432661 -7.29827919 -6.65806484 33.71793608 Ta -0.23976508 1.74849743 1.75911890 6.88904895 9.91195658 26.43296498