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=134.33530531644772 stress="-9.16649073186601 0.13187651538893688 -0.7351760062472688 0.13187651538893688 -9.68927642775056 0.05472016119859356 -0.7351760062472688 0.05472016119859356 -8.024231612233644" free_energy=134.33530531644772 pbc="T T T" Na 2.59233208 2.93079040 2.90931376 18.99994175 -5.73052037 26.08362048 Na 1.47810288 1.44330725 2.83098047 0.20622258 5.46742924 28.57999099 Na 1.30120851 2.98054070 1.79481349 0.47909867 -12.72140958 -30.66285435 Na 0.20901940 1.28988699 1.58047535 -19.68526300 12.98450072 -24.00075712