32 Lattice="78.81683731079102 0.0 0.0 0.0 78.81683731079102 0.0 0.0 0.0 78.81683731079102" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.4886699168389794 stress="-5.066467959406704e-06 5.129092720069991e-07 -9.18551377398637e-07 5.129092720069991e-07 -5.762551799228181e-06 -1.4025498047970444e-06 -9.18551377398637e-07 -1.4025498047970444e-06 -6.102042861119733e-06" free_energy=-1.4886699168389794 pbc="F F F" Kr 39.31599940 39.50104765 39.50045961 -0.02462839 -0.03362582 -0.05332577 Kr 42.39797378 42.06616779 39.29535576 -0.03790197 0.09103218 -0.00751387 Kr 42.04688566 39.51995701 42.15107560 0.05596193 -0.08194139 -0.00157546 Kr 39.27215462 42.23896308 42.08025947 -0.02334583 0.04976965 0.02139034 Kr 44.93552113 39.37420882 39.36596055 0.03686289 -0.04887050 0.00811843 Kr 47.89222613 41.98052190 39.46358877 0.00879228 0.04827705 -0.03166424 Kr 47.67643496 39.59406102 42.37817551 0.05511768 -0.21072737 -0.17406924 Kr 45.19121617 42.38648837 42.34568078 -0.11522312 -0.05877736 -0.03377166 Kr 39.38593835 45.18507802 39.28677264 0.00435705 -0.04572982 -0.03428653 Kr 42.39827521 47.84647254 39.53592058 -0.05222680 0.03464180 -0.08044185 Kr 42.17275139 45.00298157 42.15540701 0.03088683 -0.04866231 -0.02101648 Kr 39.37160935 47.75996048 42.03198573 -0.01189127 0.06322262 0.02717352 Kr 45.19801457 45.18732207 39.65125925 -0.09239525 -0.10457206 -0.19819725 Kr 47.95688439 47.88019297 39.51973556 0.01387722 0.03339699 -0.01149664 Kr 47.67050668 45.12660353 42.19500568 0.19291559 -0.06597451 0.04653564 Kr 44.87650962 47.70439311 42.23465235 0.04454616 0.13747740 0.07952551 Kr 39.28507453 39.47289917 45.09094214 -0.04938234 -0.06220678 -0.06660775 Kr 42.06946243 42.03869618 44.79949120 0.05535638 0.09625941 0.07803289 Kr 42.09102920 39.27625782 47.70031427 0.02443833 -0.03579712 0.01718451 Kr 39.34232696 42.00994359 47.80785313 -0.00405570 0.07595008 0.03612758 Kr 45.26502577 39.44528686 45.14763374 -0.12225961 -0.04410411 -0.00439671 Kr 48.06956870 41.99490997 44.85906553 0.05729255 0.21229224 0.14797561 Kr 47.88540119 39.62149729 47.85038991 0.03205355 -0.01725268 0.05324309 Kr 44.74020020 42.07372811 47.88912426 0.00981860 0.06466322 0.00404229 Kr 39.60151487 45.18977881 44.81513156 -0.06951142 -0.07258162 0.04045292 Kr 42.40013281 47.79045792 45.14644829 -0.03206491 0.07690715 -0.08328782 Kr 42.04180945 45.27384439 47.90482980 0.09222613 -0.22371631 0.04188863 Kr 39.51977581 47.70893764 47.68075355 -0.14711643 0.14256191 0.02893821 Kr 45.07863003 45.08380524 44.96786832 -0.06018351 -0.06541229 0.04073876 Kr 47.91574386 47.77374674 44.72923379 0.01578405 0.07134164 0.05391730 Kr 47.68532151 45.13020839 47.65920988 0.06252733 -0.05651980 0.03168029 Kr 44.90097145 47.63765176 47.92484320 0.04937199 0.07867851 0.04468571