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=-7.750490279057422 stress="-8.60787717969097 6.551483847038082 0.12479127519871143 6.551483847038082 -10.771355363122863 1.438332270622033 0.12479127519871143 1.438332270622033 -3.601290796517842" free_energy=-7.750490279057422 pbc="F T F" Nb 0.05442580 2.85387745 0.17886093 -22.17754445 -6.32437232 -14.45798261 Nb 1.55791531 1.23387496 0.08501927 20.75426387 32.62169948 -47.65382495 Nb 1.56603388 0.00693356 1.66501753 149.94777257 -165.21734579 43.00240846 Nb 0.22580078 1.42866320 1.68883157 -148.52449199 138.92001863 19.10939910