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=6.8008180735943835 stress="-1.678398654467294 0.06358965340406615 0.0055577633087787355 0.06358965340406615 -1.5589613630878452 -0.0751352182421115 0.0055577633087787355 -0.0751352182421115 -1.8090768366581513" free_energy=6.8008180735943835 pbc="T T T" N 0.01821382 -0.29424575 -0.03036777 -2.16143887 -1.86673578 1.42945081 N 1.65586213 1.40395547 -0.16773400 2.52152837 -1.03295498 -0.46973390 N 1.47899342 0.12036030 1.45631248 -0.08742559 1.53119641 0.68361765 N 0.50755809 1.64432661 1.26023492 -0.27266391 1.36849434 -1.64333456