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=42.25378957205057 stress="-9.556740105751576 -0.18397560423943937 0.7164107193964613 -0.18397560423943937 -8.644223087373632 -0.9874167395697642 0.7164107193964613 -0.9874167395697642 -6.7387680724678" pbc="T T F" Nb 0.12986364 0.27479266 0.14223686 -18.96373589 -32.94688904 -74.52326465 Nb 1.40692346 1.73257448 0.15839896 33.23425770 13.73442931 -55.43981529 Nb 1.71468373 0.22428872 1.55719733 9.93903896 -38.71961516 48.49931924 Nb 0.27027626 1.29328005 1.54430989 -24.20956077 57.93207489 81.46376070