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=101.02664092841046 stress="-13.137529315166269 -2.6140932431485697 -0.6187568281715267 -2.6140932431485697 -19.1731609000457 1.2331912673744891 -0.6187568281715267 1.2331912673744891 -12.273652824405922" pbc="F T F" Nb 0.04852473 0.01848935 0.13661615 -164.06627488 -19.95831432 -139.52309336 Nb 1.40480033 1.28303047 0.11041876 115.93749630 40.26271800 -127.78152290 Nb 1.26735611 -0.16466555 1.24148635 165.64022905 14.16853907 152.35265571 Nb 0.08611608 1.53369179 1.52598936 -117.51145048 -34.47294275 114.95196055