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=47.92681553391807 stress="-2.53520115904414 0.008356915493216023 -0.026338460073448096 0.008356915493216023 -2.5780012548035973 -0.013821748813067613 -0.026338460073448096 -0.013821748813067613 -2.605117644368721" free_energy=47.92681553391807 pbc="T T T" K -0.14459490 0.11115480 0.11044915 1.63780589 -1.85042415 -0.28538323 K 1.70960170 1.31143450 -0.16166483 -2.37114665 1.99795087 0.41040822 K 1.28829595 0.03769167 1.64041416 -0.88347844 -1.37561005 -0.68238400 K -0.22187219 1.51878885 1.32834452 1.61681920 1.22808332 0.55735901