16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.4846680279153305 stress="0.5439468046338309 -0.05028016857470352 0.23834597950306208 -0.05028016857470352 0.5372440151401214 0.1119660559390625 0.23834597950306208 0.1119660559390625 0.3799396108786589" pbc="F F F" Kr 0.17940646 0.04389399 -0.02388373 0.02629920 0.02382949 0.02236377 Kr 1.65989482 1.68506927 1.42390646 -0.11043825 -0.10590869 0.17159646 Kr 3.19683386 -0.05944337 0.02263122 -0.01950799 0.04622092 0.03517852 Kr 4.30646450 1.60233044 1.52013493 -0.02040077 -0.04214841 -0.03274406 Kr -0.21401439 3.23431322 0.29009972 0.03966131 -0.01281728 0.03167626 Kr 1.57129817 4.61520895 1.73445950 0.00339433 -0.05504269 0.01484335 Kr 2.74600233 2.57319006 -0.08435537 0.11407719 0.07990561 -0.11566826 Kr 4.76193617 4.63691335 1.55632819 -0.02952198 -0.02900474 0.01615797 Kr 0.09683331 0.21801454 3.20846620 0.02414100 0.01342285 -0.03115910 Kr 1.23975170 1.47019266 4.72132048 0.02574808 0.02425542 -0.02730619 Kr 2.71002265 -0.05729529 2.94055401 -0.01258478 0.05989018 -0.01259112 Kr 4.28463153 1.25460204 4.55579117 -0.03260249 0.00968899 -0.03633339 Kr -0.26889612 3.21299967 3.24961346 0.04998178 -0.01193255 -0.01213628 Kr 1.71523513 4.55719781 4.54426781 0.01162943 -0.02979704 -0.03702094 Kr 3.11837158 2.98373751 2.73026107 -0.04515108 0.04490159 0.03409937 Kr 4.48225633 4.67740483 4.70429101 -0.02472497 -0.01546364 -0.02095637