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=63.87674296833251 stress="-5.650771908623745 -0.7201712695812683 1.1092194926963983 -0.7201712695812683 -11.872628712014464 2.0550590110423057 1.1092194926963983 2.0550590110423057 -11.124197883031604" free_energy=63.87674296833251 pbc="F T T" Ta 0.22094491 0.23171545 0.18190327 -53.07297611 2.34847537 -14.99562716 Ta 1.32183498 1.71219253 -0.07514625 44.60125970 -56.75331299 47.03493390 Ta 1.62990665 -0.21779550 1.78278197 66.85482982 57.76586930 -55.37576865 Ta 0.06210000 1.70397289 1.32702941 -58.38311342 -3.36103168 23.33646190