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=61.88902044749689 stress="-8.283652378755603 0.3121813106649643 -0.28678317669376135 0.3121813106649643 -8.091811055959262 -0.37393826849261713 -0.28678317669376135 -0.37393826849261713 -8.965842260236423" pbc="T T T" Ta -0.14459490 0.11115480 0.11044915 15.93037541 -32.42964663 -6.93491821 Ta 1.70960170 1.31143450 -0.16166483 -25.67882116 28.42093415 5.30552680 Ta 1.28829595 0.03769167 1.64041416 -6.66680869 -25.51889911 -7.69662066 Ta -0.22187219 1.22744829 1.32834452 16.41525444 29.52761159 9.32601207