3 Lattice="-3.333824 0.0 0.0 -1.666912 -2.888458 0.0 1.666912 0.0 11.492272" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.23446566612423 stress="-0.002502072479142201 8.82476919332338e-05 3.5605078665928612e-06 8.82476919332338e-05 -0.0024013127747940432 4.8005768266727696e-08 3.5605078665928612e-06 4.8005768266727696e-08 -0.00153962357788523" pbc="T T T" S -1.66691000 -1.40236000 1.56383000 0.00159938 -0.00044874 0.06235041 S 0.00000000 -1.40236000 9.92844000 0.00156387 -0.00044900 -0.06233396 Ta -3.33382000 -0.43959000 0.00000000 -0.00309209 0.00117039 -0.00002899