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=360461.2313918206 stress="-1521787.9533214958 455546.453254014 -105050.81978614035 455546.453254014 -1614349.3073439817 133148.36037645512 -105050.81978614035 133148.36037645512 -1240698.2069065708" pbc="F F F" Er 0.14603331 -0.08878655 0.00616548 -5448.95310508 -4311.96418820 -6360.11567257 Er 1.84855081 1.29404862 0.01774035 -51394.21755903 28223.34591963 -69141.61636340 Er 1.49752702 0.24095189 1.55419597 14356.02954461 -61990.00167250 4169.35418987 Er 0.04499932 1.23110485 1.73531091 -47924.20835720 42957.45622725 -27574.54573516 Er 3.04328040 0.01510504 0.33896198 -15963.73754834 -45077.43434603 -29070.29950045 Er 4.76427661 1.16586112 -0.22512815 11893.25436911 46697.07518838 -63848.13667884 Er 4.57626866 0.17535147 1.13895348 43060.72072997 -42317.96169466 86467.24502280 Er 2.72445915 1.63745707 1.48366341 60606.68182199 23750.02579422 18499.84029351 Er -0.21809629 3.25870120 0.15559324 -29130.02224955 -26390.43139125 -14218.50101563 Er 1.21133266 4.35430926 -0.21681580 21053.93981374 18212.68065203 -11738.44782655 Er 1.26242436 3.18646851 1.71023516 479340.31512031 -539475.67186273 -19741.57767218 Er 0.29029452 4.22969246 1.67936379 -493957.30765099 582208.53533738 -25442.23934177 Er 3.08418995 3.08863145 0.04250894 -55786.57303382 -38368.09420233 -13307.99939449 Er 4.39830079 4.20153133 -0.08248983 32476.83664008 121506.82720605 -115434.05063526 Er 4.57873057 3.23861512 1.21174847 32380.80273447 -80995.33032499 118986.86285160 Er 2.81870505 4.51416308 1.58998455 10183.47145800 112412.92351932 -93586.37861693 Er -0.04562590 -0.09720267 2.96216162 -10601.75231639 -37009.18346915 14959.80354772 Er 1.55680627 1.63983212 2.85916302 -11349.97636544 4465.80691637 -7251.07644190 Er 1.46145945 0.02994619 4.38679786 -59483.72284326 -24527.43111159 54928.04603744 Er 0.12230713 1.55331847 3.98050105 -44961.78380336 -18803.07638142 30447.47086639 Er 2.74854918 0.14775865 3.27264450 48539.54346378 -150959.69551992 -155059.54487329 Er 4.25842995 1.45103495 2.88633431 14414.75301537 5465.47232688 -6696.70803874 Er 4.30847725 0.01875741 4.42101709 14342.77929539 -7300.50690043 11748.85220093 Er 2.74360117 1.41172227 4.23973399 53702.43062403 119620.67240812 127321.76686688 Er -0.27616564 2.99637930 2.83484900 -34914.80823140 -16258.44496830 19301.83464340 Er 1.67060911 4.54761541 3.23851796 -96105.22312205 17573.89535959 -109011.33461478 Er 1.50921095 2.65053294 4.43991195 -10206.49809992 57089.28452899 33505.21538372 Er 0.20384216 4.32187660 4.24731727 -31033.86693413 4639.67541688 27505.82450638 Er 2.77749420 3.28960211 2.65513818 58105.28124727 -121373.23247172 98215.65944544 Er 4.36022796 4.73869619 3.37643898 11083.68731077 2863.38229991 -5564.10491072 Er 4.48714710 2.81374801 4.49746087 2422.41830214 1871.28148569 4669.44050221 Er 2.70637303 4.79674386 4.44524875 90299.70572891 25600.11991854 122319.46097437