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=17.199856968334924 stress="-2.696993712957387 1.665549057984022 0.3203381923495684 1.665549057984022 -3.3496509760805377 -0.2615724042226385 0.3203381923495684 -0.2615724042226385 -1.9493642667702018" pbc="F T T" Ne 0.21219253 -0.07514625 0.26652280 -52.10654953 57.04514214 -4.77218760 Ne 1.28220450 1.78278197 0.06210000 51.11003701 -57.91308482 -20.45406987 Ne 1.63362859 -0.17297059 1.47514463 11.54093197 10.81312350 10.95555625 Ne 0.04852473 1.55473499 1.41561068 -10.54441945 -9.94518082 14.27070122