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=-1.45568855446 stress="1.4497135576633022 -0.18374994371115214 0.20768145302191424 -0.18374994371115214 1.2408050970689442 -0.12554679710068323 0.20768145302191424 -0.12554679710068323 1.5050308889776152" pbc="F F F" N 0.04852473 0.05473499 -0.08438932 2.20028410 1.27769900 2.64085605 N 1.63661615 1.40480033 -0.12280496 -1.05996234 -2.09937803 1.64142597 N 1.29869006 0.11041876 1.26735611 -3.13756175 2.92046291 -2.99567705 N -0.16466555 1.24148635 1.58611608 1.99724000 -2.09878389 -1.28660497