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=598064.418743907 stress="-2675110.8805045765 -438664.88101486757 -277470.404555053 -438664.88101486757 -2491320.6101807705 64549.40432531398 -277470.404555053 64549.40432531398 -2085623.3709760164" pbc="F F F" Nd 0.16424422 0.00061970 0.22658098 -10555.08215855 -19910.07552442 -15329.13689778 Nd 1.59745756 1.53116401 -0.07138521 -39969.31581043 -13716.09724491 -57920.33445321 Nd 1.76167891 0.07522589 1.71642847 -136698.57283153 -128706.00327195 -390.98527711 Nd 0.02193649 1.44621320 1.64384536 -197509.37733506 -197321.56068498 62600.20399819 Nd 2.95920232 0.27388415 -0.11554920 6497.86360131 -94330.29395764 -52277.70236409 Nd 4.39377272 1.49031630 -0.11699357 37628.96807103 35330.25662225 -38023.75794804 Nd 4.70798875 0.40640902 1.49280903 57749.68163386 -60298.82160019 -27371.62738394 Nd 3.00754006 1.20995547 1.50076722 86099.77915566 158911.47937741 20287.13226948 Nd -0.07919175 3.39693588 0.31359172 -163384.07749074 17056.54861037 -171912.50122675 Nd 1.53958288 4.27065173 -0.26300349 -118965.58710534 162862.45110646 -61939.53954537 Nd 1.07293328 2.65467737 1.29890587 300271.45843951 144211.74370238 70213.33664555 Nd -0.03678784 4.52683728 1.70613267 -22430.61973117 137371.19050923 -10515.66682211 Nd 2.70014746 3.11667823 0.10047619 146930.25740549 -151070.42171258 9420.75162424 Nd 4.45138196 4.14681823 0.17110960 55027.06762932 46423.53801261 -86748.10875006 Nd 4.59637620 2.83977348 1.44357294 17523.03028384 -39982.89621813 52550.27909232 Nd 3.09443674 4.46513918 1.37503089 -44776.75858106 47063.09846664 58415.21836009 Nd 0.19788218 -0.12850644 3.23091695 -54241.22108008 -15094.39116373 -56012.96693896 Nd 1.48653670 1.62195200 3.17186380 -20657.55662052 -125502.17353719 -112477.58563683 Nd 1.24885231 -0.02116761 4.69900183 40571.16563206 -384.83594609 70750.16902105 Nd -0.12324464 2.00309172 4.53509909 -28869.49978665 -12415.17642892 16343.75983295 Nd 2.92090076 -0.01529885 3.27264506 -3190.40901460 -40139.28205438 19205.52531140 Nd 4.42023797 1.21481879 3.13857181 41918.98357947 45763.43741166 -46875.00620378 Nd 4.69107429 0.11116510 4.57342439 23919.15365883 -49629.15441540 56260.43565477 Nd 3.23496275 1.59022471 4.57069769 -253130.64947385 -311299.91538394 144483.87726773 Nd 0.26056042 3.29225480 2.92714615 -117452.19950596 -171241.57939269 23790.54929075 Nd 1.33312060 4.47421803 3.51254516 -16909.35268351 163528.11334740 -115900.13387087 Nd 1.70234640 2.80127937 4.37889208 -50084.22096086 67858.99540398 203045.54870653 Nd -0.11118394 4.68051120 4.51944430 -85002.83188566 18200.10394760 64367.03414423 Nd 2.98299168 2.99193439 3.12793292 -112233.68914467 -20198.37949999 -289103.34576429 Nd 4.35502657 4.54747255 3.02682593 31963.03521207 22224.71703938 -6625.44736108 Nd 4.20668588 2.80715774 4.22860337 435149.39688889 290311.49172838 100036.12907310 Nd 2.80232862 4.33935440 4.28499890 194811.18000892 94123.89275136 177653.89615186