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=22606.750795112457 stress="-86415.33232381025 3285.001162753173 -22879.333040976264 3285.001162753173 -102408.90183933818 -30364.81149460115 -22879.333040976264 -30364.81149460115 -107951.62611342638" pbc="F F F" Mt 0.04994727 0.12163277 0.05192680 -4261.61512766 -3182.53559270 -176.38122569 Mt 1.30551077 1.18640680 -0.01092609 2706.93467490 6840.29991741 -4024.26631320 Mt 1.65317580 0.03874076 1.09980788 -137.42155171 -3978.88643321 5341.11761445 Mt 0.25724294 1.54003514 1.79405513 -34588.29025977 333.82616402 -32764.34663642 Mt 3.03647596 0.02594578 0.04335664 1820.07510604 -285.59065754 -1429.60541535 Mt 4.52401551 1.42596092 0.08410135 884.25858235 -716.47976329 58.16731264 Mt 4.40917313 0.19386324 2.01449377 3489.36539259 -36656.92763536 -28851.01441694 Mt 2.90289458 1.96548374 1.45706889 -2083.98551374 -8610.78068367 -6507.57452963 Mt -0.02543430 2.67127925 -0.22944476 -313.70012837 201.93580229 -222.41687179 Mt 1.54197458 4.63696911 -0.00637965 466.71139571 101.06370015 -515.40604573 Mt 1.09705755 2.95668847 1.49331909 3777.40787422 1513.63135485 -1500.83440526 Mt 0.20815779 4.42011060 1.33126902 -1935.56528804 2264.65105706 170.67294748 Mt 3.39046587 2.83931924 -0.25137169 -1028.36415925 -227.83792581 -709.03235937 Mt 3.99724443 4.54337084 -0.06026344 1834.37122758 1341.01232920 -3110.03555580 Mt 4.57601131 2.93090095 1.64447040 4951.83202809 -732.86140100 -2384.67970955 Mt 3.32621207 4.47499254 1.48746229 -6593.84724397 3583.99438385 -5489.01209077 Mt 0.15223286 0.11503048 3.12502938 -2585.28620417 -2894.43522942 -480.67356461 Mt 1.24565205 1.40249284 2.76551528 36343.20502622 -5419.99084564 29361.41687408 Mt 1.74142273 0.25279815 4.03167057 -7946.61457395 -2269.73879368 5710.59944669 Mt 0.02609876 1.15732635 4.65900567 -354.11055532 481.82454830 936.23907255 Mt 2.86989360 -0.15628892 2.99419603 4889.15893043 -2628.97630670 -4963.23712481 Mt 4.32865302 1.29326986 2.86252412 -2352.94111227 36711.58751192 28350.89340077 Mt 4.40292387 0.24591384 4.73976022 1134.51008963 -847.01187668 331.06725856 Mt 2.95102774 1.28138881 4.44637450 2416.29252262 3993.42437826 1371.68490511 Mt 0.29439773 2.70396827 3.11915858 -3725.20675942 4657.24241999 2316.58930339 Mt 1.31298469 4.72066357 3.20099443 1072.34628355 94.77296216 -1629.88342840 Mt 0.98055792 3.07262853 4.76247494 1358.48867575 -1936.79969597 1255.81008643 Mt 0.39232715 4.70570071 4.70542487 -1831.31077506 2248.21744133 1581.37500616 Mt 3.14234445 3.15418111 2.42876241 -3380.47683971 4179.91474530 12179.66330060 Mt 4.44826934 4.68672332 2.59343756 6115.18719907 1583.53930218 5140.45051227 Mt 4.22645581 2.83942368 4.44262557 375.10027863 -133.80502961 118.78979696 Mt 3.43974054 4.61840137 4.20932275 -516.50919495 391.71985202 533.86285519