32 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=750671.1842488244 stress="-3268128.1574610434 10085.550673199818 1354697.8038759776 10085.550673199818 -2514199.5070939357 309479.19066666113 1354697.8038759776 309479.19066666113 -3284908.31366784" pbc="F F F" K -0.04665120 -0.20924102 0.07112606 -10641.72414509 -9961.29683708 -8895.74705135 K 1.23537767 1.54852694 0.12481577 577997.16419997 -392468.52294121 -437604.16307736 K 1.58180351 -0.06635529 1.40641140 -473589.45001735 -93842.06993916 597669.78440133 K 0.25404495 1.52171256 1.30915416 -327695.92835468 -259539.48397655 587768.32337470 K 2.50278017 0.07788674 0.24875231 444581.82795992 -5023.22840763 -634365.38249928 K 4.13031001 1.03068642 -0.22121032 41450.19535091 5183.59480861 -47316.59063881 K 4.57659639 0.24482327 1.69204221 49512.40658183 -75592.73124922 -64045.15937910 K 3.15474796 1.33508720 1.33264678 -41105.63125740 58057.43381355 46199.95878216 K 0.27889415 2.73579771 0.29343609 -347532.31069664 598232.17852458 -199635.79838458 K 1.39092379 4.37567988 0.02007580 45661.52292506 44690.01628896 -70352.41572155 K 1.71438236 3.14575162 1.41486816 -130651.98119981 -168745.98570052 -20079.35646820 K 0.02493543 4.36442427 1.18359060 -63504.27098699 38145.81396952 57526.01541312 K 2.60250019 2.73125515 -0.23674562 51329.41654174 20616.10122051 -38908.90706762 K 4.48869949 4.63561066 0.46161123 2408.27503309 3181.41631886 -4342.61191573 K 4.30593803 2.80340855 1.78377836 643739.83654045 41205.82144589 -521726.01629571 K 2.76255594 4.27473638 1.92796501 205440.99315069 224366.01747443 -27101.96389955 K -0.13203365 -0.00001587 2.90436575 -4699.63157710 -5993.30766852 1109.92469812 K 1.49343757 1.73336650 3.29160078 152869.56325871 -169715.31302073 -12838.69463967 K 1.76306933 0.18141325 4.39735376 -93394.88835846 -132220.33081293 6866.17545662 K -0.22525157 1.53274330 4.54540544 -10966.99940350 -6609.46791359 16076.72278718 K 3.02440976 -0.14783917 2.85088159 -1342.21378490 -16085.22778738 11893.76359192 K 4.74263951 1.18646491 3.17130761 17714.33557777 50931.91206489 60391.04235169 K 4.63847894 -0.04121802 4.72438370 1027.83572503 -12145.61667787 14916.82815025 K 2.81240207 1.48451125 4.62520958 110521.72029041 107110.79023298 46824.49429683 K 0.29968792 2.80366915 3.04292878 -347152.19933078 65265.08523000 -232497.80899524 K 1.48195415 4.45710173 3.07637561 -28046.52417466 256046.06739828 -181590.45978605 K 1.25767022 3.37130966 4.20729170 120634.16123925 -171911.05838002 427777.94251633 K -0.00961113 4.61141166 4.54638639 -49415.20872345 43851.43383420 18424.68852525 K 3.16357147 2.73146521 2.72185655 -591530.57136031 -86962.73816548 562087.73761655 K 4.58674934 4.36414112 2.93345838 14826.34675778 27113.88608017 10080.31233539 K 4.61082991 3.09170713 4.57046566 2917.67249402 -4117.87631590 10270.32051301 K 2.62211530 4.53530888 4.70837309 38636.25974449 26936.68708836 25417.04100935