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=81.1477867443639 stress="-16.48062773306978 -0.6144357331444879 -2.4428402255237334 -0.6144357331444879 -17.23215935998324 1.0772602248661725 -2.4428402255237334 1.0772602248661725 -11.912181370816862" pbc="T T F" Nb 0.35559622 0.06504129 0.22277084 -42.67079470 35.56934168 -104.58770731 Nb 1.68584377 1.68362810 0.19581920 -14.55844184 -16.25574217 -130.50950294 Nb 1.64685009 0.26959405 1.67626233 -38.42089209 -27.19667752 106.96750821 Nb -0.14597521 1.66771000 1.49207130 95.65012863 7.88307802 128.12970204