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=48.5284664381143 stress="-4.742254577285309 -1.0246675896425892 1.1587865490871987 -1.0246675896425892 -8.357634174231796 1.1784974407895372 1.1587865490871987 1.1784974407895372 -7.993694930198519" pbc="F T T" Re 0.22094491 0.30205975 0.18190327 -44.04258254 -12.74528089 -12.77284454 Re 1.32183498 1.71219253 -0.07514625 40.47897518 -43.96158592 38.54963371 Re 1.62990665 -0.21779550 1.78278197 53.60612088 54.26083317 -49.63664185 Re 0.06210000 1.68215332 1.32702941 -50.04251352 2.44603364 23.85985267