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=360461.2313918199 stress="-20.540275797990184 6.1487211593511795 -1.4179194982472278 6.1487211593511795 -21.789619200733902 1.7971649980624536 -1.4179194982472278 1.7971649980624536 -16.746277493069986" pbc="F F F" Er 21.14603331 20.91121345 21.00616548 -5448.95310508 -4311.96418820 -6360.11567257 Er 22.84855081 22.29404862 21.01774035 -51394.21755903 28223.34591963 -69141.61636340 Er 22.49752702 21.24095189 22.55419597 14356.02954461 -61990.00167250 4169.35418987 Er 21.04499932 22.23110485 22.73531091 -47924.20835720 42957.45622725 -27574.54573516 Er 24.04328040 21.01510504 21.33896198 -15963.73754834 -45077.43434603 -29070.29950045 Er 25.76427661 22.16586112 20.77487185 11893.25436911 46697.07518838 -63848.13667884 Er 25.57626866 21.17535147 22.13895348 43060.72072997 -42317.96169466 86467.24502280 Er 23.72445915 22.63745707 22.48366341 60606.68182200 23750.02579422 18499.84029351 Er 20.78190371 24.25870120 21.15559324 -29130.02224955 -26390.43139125 -14218.50101563 Er 22.21133266 25.35430926 20.78318420 21053.93981374 18212.68065203 -11738.44782655 Er 22.26242436 24.18646851 22.71023516 479340.31512030 -539475.67186273 -19741.57767218 Er 21.29029452 25.22969246 22.67936379 -493957.30765098 582208.53533737 -25442.23934177 Er 24.08418995 24.08863145 21.04250894 -55786.57303382 -38368.09420233 -13307.99939449 Er 25.39830079 25.20153133 20.91751017 32476.83664008 121506.82720605 -115434.05063525 Er 25.57873057 24.23861512 22.21174847 32380.80273447 -80995.33032499 118986.86285160 Er 23.81870505 25.51416308 22.58998455 10183.47145800 112412.92351932 -93586.37861693 Er 20.95437410 20.90279733 23.96216162 -10601.75231639 -37009.18346915 14959.80354772 Er 22.55680627 22.63983212 23.85916302 -11349.97636544 4465.80691637 -7251.07644190 Er 22.46145945 21.02994619 25.38679786 -59483.72284326 -24527.43111159 54928.04603744 Er 21.12230713 22.55331847 24.98050105 -44961.78380336 -18803.07638142 30447.47086639 Er 23.74854918 21.14775865 24.27264450 48539.54346378 -150959.69551992 -155059.54487329 Er 25.25842995 22.45103495 23.88633431 14414.75301537 5465.47232688 -6696.70803875 Er 25.30847725 21.01875741 25.42101709 14342.77929539 -7300.50690043 11748.85220093 Er 23.74360117 22.41172227 25.23973399 53702.43062403 119620.67240811 127321.76686688 Er 20.72383436 23.99637930 23.83484900 -34914.80823140 -16258.44496830 19301.83464340 Er 22.67060911 25.54761541 24.23851796 -96105.22312205 17573.89535959 -109011.33461478 Er 22.50921095 23.65053294 25.43991195 -10206.49809992 57089.28452899 33505.21538372 Er 21.20384216 25.32187660 25.24731727 -31033.86693413 4639.67541688 27505.82450638 Er 23.77749420 24.28960211 23.65513818 58105.28124727 -121373.23247171 98215.65944544 Er 25.36022796 25.73869619 24.37643898 11083.68731077 2863.38229991 -5564.10491072 Er 25.48714710 23.81374801 25.49746087 2422.41830214 1871.28148569 4669.44050221 Er 23.70637303 25.79674386 25.44524875 90299.70572891 25600.11991854 122319.46097437