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=68.6283649202528 stress="-5.642560453181861 -0.08615758413928437 0.13811585318297398 -0.08615758413928437 -4.245920852408449 0.13758883393828536 0.13811585318297398 0.13758883393828536 -4.304860282091447" free_energy=68.6283649202528 pbc="T F F" Ta -0.05167817 0.25980354 0.27143892 -7.34591241 -47.08683221 -45.50076451 Ta 1.40295338 1.60338854 0.24759167 11.49506253 41.63244154 -44.66487487 Ta 1.61018303 0.18843096 1.67061300 6.32927839 -40.70439419 41.16426648 Ta 0.29169807 1.46863002 1.44630638 -10.47842851 46.15878486 49.00137289