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=201.24135363 stress="-999.6338263915666 -1505.243873933239 -155.9807710890659 -1505.243873933239 -2288.1544338098356 -235.92350142111144 -155.9807710890659 -235.92350142111144 -31.577162828877402" pbc="F F F" Nb 0.26597582 0.10023778 -0.06729833 -3888.46339120 -5882.71506872 -621.05624208 Nb 1.27996437 1.63562864 0.09174312 3887.23154329 5886.74067513 602.08674372 Zr 1.11069299 -0.01210991 1.34597381 10.85656132 -13.05510380 11.23826984 Zr -0.11644754 1.40867732 1.65000711 -9.62471341 9.02949739 7.73122852