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=39.53102335255904 stress="-6.560607951356949 -0.23670972734584084 -0.8733075029974922 -0.23670972734584084 -6.316251658267121 0.880046537901936 -0.8733075029974922 0.880046537901936 -9.416411442941486" pbc="F F T" Nb 0.10878037 0.27852494 -0.01973705 -66.87603352 -78.53494243 32.89564438 Nb 1.45300620 1.43918063 -0.08004464 81.76298684 60.41624907 31.13804800 Nb 1.44810878 0.11434322 1.48775585 55.20926052 -61.56454157 -9.76506357 Nb 0.20457492 1.41186948 1.69802343 -70.09621385 79.68323493 -54.26862880