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=199911.8993720333 stress="-832314.3328760536 -28070.9340164023 11077.31364562569 -28070.9340164023 -778062.8138060301 32945.75384747947 11077.31364562569 32945.75384747947 -868926.0290899025" pbc="F F F" Rf 0.12886467 -0.23495349 0.15242971 -7607.51625147 -12869.83858131 -7454.55061018 Rf 1.42434601 1.08393878 0.34108560 14724.66811736 28976.96520461 -40206.56222380 Rf 1.50468011 0.15674796 1.73821789 17899.56276302 -30482.27483941 28477.33360875 Rf 0.01530049 1.12302104 1.47581201 -25391.16161093 14838.05641020 10895.66193899 Rf 3.20880854 -0.02002906 0.09942381 -118978.00764799 -123804.43418092 -23972.47388947 Rf 4.23761738 1.06076819 0.25624082 90984.51953092 216791.78550066 -135701.03885914 Rf 4.44961404 0.26946389 1.50362460 41137.70581446 -114423.75612019 142859.49843069 Rf 3.27629366 1.48359953 2.06466833 -21095.96654610 -28691.80927899 -43779.41863012 Rf -0.09521371 3.41418666 0.22091706 -9275.67757093 -23360.53136490 -28946.63648882 Rf 1.60184609 4.21109877 0.15335041 -61438.68879359 64253.41042125 -28759.93663150 Rf 1.40749640 3.24096025 1.76860344 -19747.96617549 -12216.05105868 -7902.34437678 Rf -0.08157589 4.38382446 1.60925187 -8061.44545488 28980.49732253 20090.37240083 Rf 2.79235135 3.23656502 0.47834116 63957.11501342 -88936.53262959 -30583.20436305 Rf 4.48193893 4.25885325 0.34857463 5819.36352374 7422.57706068 -6769.58073780 Rf 4.22199996 2.96438743 1.71359890 118267.24315470 -24719.58456311 -126898.98289580 Rf 2.85318348 4.26538111 1.76121342 -2113.14438667 90220.27550145 681.10340433 Rf 0.27452209 -0.23518487 3.16102548 -21062.66103659 -14741.71743488 -14144.03105416 Rf 1.86066946 1.89632248 2.83192872 -53933.60677166 -12014.90675391 20965.49973881 Rf 1.30943987 0.48025141 4.33215594 24763.40462293 247.95204335 23479.12287953 Rf -0.07794884 1.59705588 4.33879210 -15038.48943012 10144.21178717 1273.14704375 Rf 2.86983829 -0.07751729 3.33219023 -2087.33043435 -7561.46291030 -7862.60738589 Rf 4.72501042 1.47469265 2.87169656 45330.99914117 2014.24707034 31732.09697142 Rf 4.23311679 -0.21168961 4.59741384 7345.66613720 -1379.97991155 6824.50863641 Rf 3.10964517 1.71869710 4.16201330 21917.60889290 -13047.33559889 11469.47588589 Rf -0.05116840 3.44286435 3.24664224 -26381.74752105 -46342.08940720 -25843.16205331 Rf 1.38690710 4.42913757 3.19652872 29745.48417998 19561.91427966 -2956.20325498 Rf 1.77428746 2.70940997 4.74689573 -14464.48878661 12655.67262251 9708.49842851 Rf 0.14607920 4.54014500 4.47103417 -6860.57980493 31964.41587692 46849.08033131 Rf 3.19169949 3.06929146 2.81449222 -102651.79984323 -17414.40784056 151184.92699346 Rf 4.45106948 4.20765013 2.88166495 34134.14946673 48414.57331579 5872.41241222 Rf 4.72513672 3.22480761 4.38489798 15441.22431102 -18785.74955908 11387.63423867 Rf 3.49150088 4.50884795 4.49912237 -15278.43660299 14305.90761636 8030.36011122