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=31.03647237918514 stress="-3.2674850756322353 -0.360146982405675 -0.08681904052422543 -0.360146982405675 -4.674526233211276 -0.22465933075450972 -0.08681904052422543 -0.22465933075450972 -3.8064532675756944" pbc="F T F" W 0.12263099 0.04530481 0.12593290 -35.68801590 -20.85051273 -38.69805458 W 1.34000708 1.18254356 0.23212867 43.17571389 15.94819549 -35.14439079 W 1.25294705 -0.23932283 1.67871475 34.06471454 -9.44193395 37.73992187 W 0.19104769 1.16923949 1.45283623 -41.55241253 14.34425119 36.10252350