32 Lattice="77.3996753692627 0.0 0.0 0.0 77.3996753692627 0.0 0.0 0.0 77.3996753692627" Properties=species:S:1:pos:R:3:forces:R:3 energy=-79.43735543910714 stress="-0.00040704515601239645 4.5137676791124566e-05 4.755671398341139e-05 4.5137676791124566e-05 -0.00045603806707095255 0.00014919303731984155 4.755671398341139e-05 0.00014919303731984155 -0.00042315257977992203" pbc="F F F" Nd 38.58588418 38.70382528 38.80374097 -1.49942023 -3.04923277 -4.18320319 Nd 41.37167965 41.60932413 38.85155321 10.96427108 -7.47121037 -10.08247282 Nd 41.28762135 38.72415422 41.40064745 6.91929143 -3.22560579 1.18211862 Nd 38.86032918 41.37449179 41.21431555 -10.86670114 1.03646413 13.45642185 Nd 44.37703032 38.72643795 38.62608785 -5.53486017 -2.84584847 -1.01213137 Nd 46.98707816 41.22051442 38.74372477 4.70919034 9.97763708 -8.11322028 Nd 46.94778452 38.92591501 41.35509197 6.08586265 -6.65422845 4.11434565 Nd 44.29936098 41.68002601 41.24214046 -4.23278377 -6.03309244 8.65652229 Nd 38.81021196 44.01568802 38.87377475 -9.60175225 9.26300326 -8.55505679 Nd 41.49017960 46.95221216 38.74933232 -2.47509933 4.94507010 -2.37299171 Nd 41.37476507 44.36538994 41.32137650 2.22557241 -2.19955611 11.38699924 Nd 38.56851904 46.79627067 41.62710908 -5.35784855 4.46942010 -6.15441498 Nd 43.97969071 44.28302185 38.91007679 6.57885634 1.16081930 -12.46810661 Nd 47.06014927 46.87578983 38.76922854 0.66154100 1.37725652 -2.44378620 Nd 46.79201343 44.34866916 41.47365965 8.91504004 -6.11514912 1.63972878 Nd 44.34203312 46.87286890 41.45059006 -5.12634128 8.15026334 4.12057500 Nd 38.70327495 38.77471940 44.13225375 -1.28934708 -0.35630032 0.81396767 Nd 41.21776510 41.82356324 44.19401521 8.01199369 -5.28793543 -0.34732675 Nd 41.53641079 39.03829038 46.88888068 3.58568055 -2.68739939 -0.46244881 Nd 38.65900484 41.24965252 47.16322758 -2.90781431 3.39264483 0.17715247 Nd 44.41262791 38.84865894 43.85088637 -9.84394411 -4.51074544 4.31837819 Nd 46.84406393 41.34867676 44.42621333 10.68364301 8.16551146 -9.45820879 Nd 47.17930063 38.80890381 46.91567050 0.00986609 -3.74704707 3.42894457 Nd 44.40273589 41.69803472 46.89352379 -6.90020528 -3.57194488 9.09807523 Nd 38.53169975 44.09947275 44.02992241 -5.14755342 0.94545468 3.74438715 Nd 41.23858453 47.03573834 43.99420270 4.98267861 0.28896213 5.35414178 Nd 41.39616659 44.23281638 47.18063461 -2.00087098 -1.55504864 -0.52233423 Nd 38.49016482 46.92426839 47.04078455 0.40601968 -0.41186480 -0.82465696 Nd 44.40796607 44.26750506 44.41078532 -6.49688428 1.87805272 -5.77784558 Nd 47.15392616 46.75959292 44.47617781 1.33475420 9.17296823 -7.63875740 Nd 47.09431703 44.43820233 47.02253672 1.82994369 -7.05908111 9.02381017 Nd 43.98386473 46.86984712 47.17279731 1.37722140 2.55776273 -0.09860616