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=-5.288671176479656 stress="-69.16963352367323 6.124664957531884 -10.770730960941982 6.124664957531884 -50.4396296062342 1.2878857076378551 -10.770730960941982 1.2878857076378551 -68.28951324289137" pbc="F F F" Nb 0.04852473 0.05473499 -0.08438932 -26.47741625 -14.48801808 -30.77192391 Nb 1.63661615 1.40480033 -0.12280496 13.03653408 19.86365156 -15.69253622 Nb 1.29869006 0.11041876 1.26735611 35.07820702 -26.52533118 31.15967444 Nb -0.16466555 1.24148635 1.58611608 -21.63732486 21.14969770 15.30478570