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=-6.7498083498059405 stress="-28.75632419342999 0.8795756633215457 -0.8012449882984019 0.8795756633215457 -39.574901516254684 -6.84902968239663 -0.8012449882984019 -6.84902968239663 -44.29082576782707" pbc="F F F" W -0.04539058 0.07327937 0.19989723 -9.98909997 -15.53430040 -19.42226975 Re 1.62961200 1.37425859 0.15720406 9.96563339 9.46750246 -9.36233593 Re 1.26564846 -0.11492400 1.79768454 9.40298849 -13.17963840 12.21716588 W -0.01726309 1.36065667 1.67089611 -9.37952192 19.24643634 16.56743980