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=4.612308652397246 stress="-0.8904462686835354 -0.34986047861823383 -0.20909838462211747 -0.34986047861823383 -0.9336867857466762 0.029301447761208108 -0.20909838462211747 0.029301447761208108 -0.6301465987600575" pbc="F T F" Kr 0.29062798 0.28199353 0.10776293 -18.01785349 -10.49553679 -9.88712032 Kr 1.38106792 1.33532339 0.36376563 14.86265607 15.32400132 -4.12566902 Kr 1.37727471 -0.07559431 1.25173197 7.25426282 -6.70453258 9.28502633 Kr 0.30224174 1.27902359 1.68321371 -4.09906541 1.87606805 4.72776300