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=-1.389897736448351 stress="0.07353249691984237 -0.014645660009596826 0.015596243164326177 -0.014645660009596826 0.11700061208311953 0.020937092058615166 0.015596243164326177 0.020937092058615166 0.11362884645556676" pbc="F T T" user04 0.29532768 0.05385411 0.17658462 1.12951166 -0.14611829 0.78539578 user04 1.39334666 1.74119497 0.18482380 -0.70412249 0.75962057 0.72601310 user04 1.39774506 -0.11507283 1.24501216 -1.02608466 -0.42140852 -1.14940757 user04 0.16037745 1.29512386 1.48434962 0.60069550 -0.19209376 -0.36200131