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=0.9882151570152095 stress="-0.5596074755509648 -0.008823301440839166 -0.04609586602536868 -0.008823301440839166 -0.5887976176220443 -0.002625856215261832 -0.04609586602536868 -0.002625856215261832 -0.543665553206099" free_energy=0.9882151570152095 pbc="T T T" Li -0.14459490 0.11115480 0.11044915 0.50769346 -0.30515348 -0.36245056 Li 1.70960170 1.18822856 -0.16166483 -0.81704978 0.49416591 0.23087807 Li 1.28829595 -0.16490224 1.64041416 0.88798187 0.50025917 -0.32649940 Li -0.01927828 1.51878885 1.32834452 -0.57862555 -0.68927160 0.45807190