16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=310.79892232110774 stress="-0.0196646356885307 0.0031598234287161554 0.0012813351342060566 0.0031598234287161554 -0.015169621877497173 -0.006210052237686642 0.0012813351342060566 -0.006210052237686642 -0.01751573779336067" free_energy=310.79892232110774 pbc="F F F" Kr 20.91870436 21.04860922 21.20118821 -24.47452864 -15.47585170 -16.45645876 Kr 22.70960170 22.31143450 22.33833517 -73.36448357 104.74955556 45.66590005 Kr 23.78829595 20.83509776 21.14041416 66.37896309 -102.64899613 -95.51849732 Kr 25.27812781 22.79098848 22.26215777 72.46540304 -28.86735512 7.49994530 Kr 21.00812325 24.21873489 21.38625107 -201.28298278 -115.40799136 -124.71611288 Kr 22.56504129 25.20865944 22.36550211 -216.88174173 469.00245777 379.59666438 Kr 23.78802619 24.22277084 21.18584377 330.72740308 -231.22369592 -396.42255431 Kr 25.47948213 25.64391375 22.86779500 21.75575128 23.20164015 -22.35029252 Kr 21.26959405 21.40797779 24.03592806 -51.05704264 -43.81845479 1.78709077 Kr 22.53179838 22.70426383 25.57785606 36.18401924 -17.14584530 68.06607676 Kr 24.16838981 20.95774659 23.70072608 8.88451266 -49.58733815 30.00291603 Kr 25.51999336 22.52188541 25.09744544 22.79854193 0.70628949 21.62782557 Kr 21.19178619 24.24929948 24.33993344 -77.55657893 -1.35415761 -35.05016900 Kr 22.66928858 25.53253581 25.64904689 19.37751108 45.47931003 44.88136370 Kr 23.78091226 24.10609294 23.88165066 46.31767323 -51.96478133 59.91695685 Kr 25.44259639 25.22637631 25.39081102 19.72757967 14.35521442 31.46934539