32 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=750671.1842488229 stress="-44.1114371755349 0.13612934177209515 18.284982775563922 0.13612934177209515 -33.93531350682873 4.177183763452361 18.284982775563922 4.177183763452361 -44.337926704295285" free_energy=750671.1842488229 pbc="F F F" K 20.95334880 20.79075898 21.07112606 -10641.72414509 -9961.29683708 -8895.74705135 K 22.23537767 22.54852694 21.12481577 577997.16419998 -392468.52294121 -437604.16307737 K 22.58180351 20.93364471 22.40641140 -473589.45001734 -93842.06993916 597669.78440132 K 21.25404495 22.52171256 22.30915416 -327695.92835468 -259539.48397655 587768.32337471 K 23.50278017 21.07788674 21.24875231 444581.82795991 -5023.22840764 -634365.38249927 K 25.13031001 22.03068642 20.77878968 41450.19535091 5183.59480861 -47316.59063881 K 25.57659639 21.24482327 22.69204221 49512.40658183 -75592.73124922 -64045.15937909 K 24.15474796 22.33508720 22.33264678 -41105.63125741 58057.43381356 46199.95878216 K 21.27889415 23.73579771 21.29343609 -347532.31069664 598232.17852459 -199635.79838458 K 22.39092379 25.37567988 21.02007580 45661.52292506 44690.01628896 -70352.41572155 K 22.71438236 24.14575162 22.41486816 -130651.98119981 -168745.98570052 -20079.35646820 K 21.02493543 25.36442427 22.18359060 -63504.27098699 38145.81396952 57526.01541313 K 23.60250019 23.73125515 20.76325438 51329.41654174 20616.10122051 -38908.90706762 K 25.48869949 25.63561066 21.46161123 2408.27503309 3181.41631886 -4342.61191573 K 25.30593803 23.80340855 22.78377836 643739.83654046 41205.82144589 -521726.01629571 K 23.76255594 25.27473638 22.92796501 205440.99315069 224366.01747443 -27101.96389955 K 20.86796635 20.99998413 23.90436575 -4699.63157710 -5993.30766852 1109.92469812 K 22.49343757 22.73336650 24.29160078 152869.56325871 -169715.31302074 -12838.69463967 K 22.76306933 21.18141325 25.39735376 -93394.88835846 -132220.33081293 6866.17545662 K 20.77474843 22.53274330 25.54540544 -10966.99940350 -6609.46791359 16076.72278718 K 24.02440976 20.85216083 23.85088159 -1342.21378490 -16085.22778738 11893.76359192 K 25.74263951 22.18646491 24.17130761 17714.33557777 50931.91206489 60391.04235168 K 25.63847894 20.95878198 25.72438370 1027.83572503 -12145.61667787 14916.82815025 K 23.81240207 22.48451125 25.62520958 110521.72029042 107110.79023298 46824.49429683 K 21.29968792 23.80366915 24.04292878 -347152.19933078 65265.08523000 -232497.80899524 K 22.48195415 25.45710173 24.07637561 -28046.52417466 256046.06739828 -181590.45978604 K 22.25767022 24.37130966 25.20729170 120634.16123925 -171911.05838002 427777.94251633 K 20.99038887 25.61141166 25.54638639 -49415.20872345 43851.43383420 18424.68852525 K 24.16357147 23.73146521 23.72185655 -591530.57136031 -86962.73816548 562087.73761655 K 25.58674934 25.36414112 23.93345838 14826.34675778 27113.88608017 10080.31233539 K 25.61082991 24.09170713 25.57046566 2917.67249402 -4117.87631590 10270.32051301 K 23.62211530 25.53530888 25.70837309 38636.25974449 26936.68708836 25417.04100935