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=77.70874855042922 stress="-4.858864038377421 -0.0014218392460893165 -0.0207539661976881 -0.0014218392460893165 -8.382556719389164 -0.19865546471164222 -0.0207539661976881 -0.19865546471164222 -5.14011237635916" pbc="F T F" Sm 0.18543805 -0.04539058 0.07327937 -35.55325025 8.46514326 -59.92163276 Sm 1.69989723 1.62961200 0.15720406 59.26249101 -7.97484130 -37.49017119 Sm 1.26564846 -0.11492400 1.79768454 37.53719018 11.06079504 53.66898507 Sm 0.17089611 1.47011124 1.20220318 -61.24643095 -11.55109700 43.74281887