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=77.88470817217281 stress="-3.582675348785804 -0.5579319554759989 0.14463755250268845 -0.5579319554759989 -6.76907394217584 -0.03635912574891574 0.14463755250268845 -0.03635912574891574 -6.351006824904804" free_energy=77.88470817217281 pbc="F T T" W 0.11951579 -0.03218623 0.13443557 -41.47629263 -16.71289237 -15.06605847 W 1.56717778 1.44861818 0.22475079 46.52672742 9.59832747 -13.22600900 W 1.27927999 0.28049722 1.25162633 30.26214904 0.01669601 10.68261521 W 0.28148913 1.28804821 1.46864501 -35.31258383 7.09786888 17.60945226