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=22606.750795112603 stress="-1.1663877054828224 0.04433917993132998 -0.30881293922062225 0.04433917993132998 -1.382260309892807 -0.40984790377120994 -0.30881293922062225 -0.40984790377120994 -1.4570730228029778" free_energy=22606.750795112603 pbc="F F F" Mt 21.04994727 21.12163277 21.05192680 -4261.61512766 -3182.53559270 -176.38122569 Mt 22.30551077 22.18640680 20.98907391 2706.93467490 6840.29991741 -4024.26631320 Mt 22.65317580 21.03874076 22.09980788 -137.42155171 -3978.88643321 5341.11761445 Mt 21.25724294 22.54003514 22.79405513 -34588.29025977 333.82616402 -32764.34663642 Mt 24.03647596 21.02594578 21.04335664 1820.07510604 -285.59065754 -1429.60541535 Mt 25.52401551 22.42596092 21.08410135 884.25858235 -716.47976329 58.16731264 Mt 25.40917313 21.19386324 23.01449377 3489.36539259 -36656.92763536 -28851.01441694 Mt 23.90289458 22.96548374 22.45706889 -2083.98551374 -8610.78068367 -6507.57452963 Mt 20.97456570 23.67127925 20.77055524 -313.70012837 201.93580229 -222.41687179 Mt 22.54197458 25.63696911 20.99362035 466.71139571 101.06370015 -515.40604573 Mt 22.09705755 23.95668847 22.49331909 3777.40787422 1513.63135485 -1500.83440526 Mt 21.20815779 25.42011060 22.33126902 -1935.56528804 2264.65105706 170.67294748 Mt 24.39046587 23.83931924 20.74862831 -1028.36415925 -227.83792581 -709.03235937 Mt 24.99724443 25.54337084 20.93973656 1834.37122758 1341.01232920 -3110.03555580 Mt 25.57601131 23.93090095 22.64447040 4951.83202809 -732.86140100 -2384.67970955 Mt 24.32621207 25.47499254 22.48746229 -6593.84724397 3583.99438385 -5489.01209077 Mt 21.15223286 21.11503048 24.12502938 -2585.28620417 -2894.43522942 -480.67356461 Mt 22.24565205 22.40249284 23.76551528 36343.20502622 -5419.99084564 29361.41687408 Mt 22.74142273 21.25279815 25.03167057 -7946.61457395 -2269.73879368 5710.59944669 Mt 21.02609876 22.15732635 25.65900567 -354.11055532 481.82454830 936.23907255 Mt 23.86989360 20.84371108 23.99419603 4889.15893043 -2628.97630670 -4963.23712481 Mt 25.32865302 22.29326986 23.86252412 -2352.94111227 36711.58751192 28350.89340077 Mt 25.40292387 21.24591384 25.73976022 1134.51008963 -847.01187668 331.06725856 Mt 23.95102774 22.28138881 25.44637450 2416.29252262 3993.42437826 1371.68490511 Mt 21.29439773 23.70396827 24.11915858 -3725.20675942 4657.24241999 2316.58930339 Mt 22.31298469 25.72066357 24.20099443 1072.34628355 94.77296216 -1629.88342840 Mt 21.98055792 24.07262853 25.76247494 1358.48867575 -1936.79969597 1255.81008643 Mt 21.39232715 25.70570071 25.70542487 -1831.31077506 2248.21744133 1581.37500616 Mt 24.14234445 24.15418111 23.42876241 -3380.47683971 4179.91474530 12179.66330060 Mt 25.44826934 25.68672332 23.59343756 6115.18719907 1583.53930218 5140.45051227 Mt 25.22645581 23.83942368 25.44262557 375.10027863 -133.80502961 118.78979696 Mt 24.43974054 25.61840137 25.20932275 -516.50919495 391.71985202 533.86285519