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=199911.8993720322 stress="-11.234131477108944 -0.37888637858225477 0.14951562527839163 -0.37888637858225477 -10.501873634138091 0.4446840763346263 0.14951562527839163 0.4446840763346263 -11.728296472976698" free_energy=199911.8993720322 pbc="F F F" Rf 21.12886467 20.76504651 21.15242971 -7607.51625147 -12869.83858131 -7454.55061018 Rf 22.42434601 22.08393878 21.34108560 14724.66811736 28976.96520461 -40206.56222380 Rf 22.50468011 21.15674796 22.73821789 17899.56276302 -30482.27483941 28477.33360875 Rf 21.01530049 22.12302104 22.47581201 -25391.16161093 14838.05641020 10895.66193899 Rf 24.20880854 20.97997094 21.09942381 -118978.00764799 -123804.43418092 -23972.47388947 Rf 25.23761738 22.06076819 21.25624082 90984.51953091 216791.78550066 -135701.03885914 Rf 25.44961404 21.26946389 22.50362460 41137.70581446 -114423.75612019 142859.49843069 Rf 24.27629366 22.48359953 23.06466833 -21095.96654610 -28691.80927899 -43779.41863012 Rf 20.90478629 24.41418666 21.22091706 -9275.67757093 -23360.53136490 -28946.63648882 Rf 22.60184609 25.21109877 21.15335041 -61438.68879359 64253.41042125 -28759.93663150 Rf 22.40749640 24.24096025 22.76860344 -19747.96617549 -12216.05105868 -7902.34437678 Rf 20.91842411 25.38382446 22.60925187 -8061.44545488 28980.49732253 20090.37240083 Rf 23.79235135 24.23656502 21.47834116 63957.11501342 -88936.53262959 -30583.20436305 Rf 25.48193893 25.25885325 21.34857463 5819.36352374 7422.57706068 -6769.58073780 Rf 25.22199996 23.96438743 22.71359890 118267.24315470 -24719.58456311 -126898.98289579 Rf 23.85318348 25.26538111 22.76121342 -2113.14438667 90220.27550145 681.10340433 Rf 21.27452209 20.76481513 24.16102548 -21062.66103659 -14741.71743488 -14144.03105416 Rf 22.86066946 22.89632248 23.83192872 -53933.60677166 -12014.90675391 20965.49973881 Rf 22.30943987 21.48025141 25.33215594 24763.40462293 247.95204335 23479.12287953 Rf 20.92205116 22.59705588 25.33879210 -15038.48943012 10144.21178717 1273.14704375 Rf 23.86983829 20.92248271 24.33219023 -2087.33043435 -7561.46291030 -7862.60738589 Rf 25.72501042 22.47469265 23.87169656 45330.99914117 2014.24707034 31732.09697142 Rf 25.23311679 20.78831039 25.59741384 7345.66613720 -1379.97991155 6824.50863641 Rf 24.10964517 22.71869710 25.16201330 21917.60889290 -13047.33559889 11469.47588589 Rf 20.94883160 24.44286435 24.24664224 -26381.74752105 -46342.08940720 -25843.16205331 Rf 22.38690710 25.42913757 24.19652872 29745.48417998 19561.91427966 -2956.20325498 Rf 22.77428746 23.70940997 25.74689573 -14464.48878661 12655.67262251 9708.49842851 Rf 21.14607920 25.54014500 25.47103417 -6860.57980493 31964.41587692 46849.08033131 Rf 24.19169949 24.06929146 23.81449222 -102651.79984322 -17414.40784056 151184.92699346 Rf 25.45106948 25.20765013 23.88166495 34134.14946673 48414.57331579 5872.41241222 Rf 25.72513672 24.22480761 25.38489798 15441.22431102 -18785.74955908 11387.63423867 Rf 24.49150088 25.50884795 25.49912237 -15278.43660299 14305.90761636 8030.36011122