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=-4.6505050694329535 stress="-90.44174130981824 6.6947555128453295 -9.322704884339359 6.6947555128453295 -85.83514102104884 -8.553645688959591 -9.322704884339359 -8.553645688959591 -92.37716622707089" pbc="F F F" H -0.11090311 0.11115480 0.11044915 -2.22831369 -1.75005271 -3.09282775 H 1.70960170 1.31143450 -0.13567548 -2.87252470 6.43207878 -1.71813391 H 1.28829595 -0.16490224 1.36371066 1.02185488 -2.16772728 3.48039122 H 0.07687608 1.51878885 1.32834452 -2.53684169 2.32316295 0.09878624 H 2.64970377 -0.04105180 0.08349577 5.21970861 -5.54347782 -0.83716568 H 4.42640788 1.26701478 -0.15256358 0.59836401 0.54348523 -1.00331226 H 4.28802619 0.22277084 1.68584377 0.69445303 -8.59550380 -9.37387309 H 3.18362810 1.69581920 1.56686874 -4.93803286 -3.60842919 -0.05158317 H 0.26959405 3.17626233 -0.14597521 -0.89051439 -2.58484395 -2.56778306 H 1.70996341 4.49207130 0.15300231 -1.75138600 2.98855180 -4.24747978 H 1.53848316 2.95774659 1.61922360 0.00791284 -2.86894544 -2.59317470 H -0.04210664 4.38825682 1.27041603 -1.63031798 2.74172463 1.30999403 H 3.19178619 3.17895518 0.29140871 -4.52596665 -4.11516778 -11.80621414 H 4.61455359 4.53253581 0.14904689 1.54867878 2.29830296 -1.27070115 H 4.28091226 3.10609294 1.46603997 10.86770081 -2.22568177 3.52219055 H 2.80598025 4.32157598 1.51361598 1.64721865 8.27075331 4.22283419 H -0.14801295 -0.02432459 3.06329927 -3.82474432 -3.04936704 -1.96655139 H 1.14088401 1.27846858 2.89536594 4.51036499 2.52397886 0.72512650 H 1.34126820 -0.15859300 4.31668137 2.06113159 -2.22688048 1.78079418 H -0.08220058 1.24396547 4.59073906 -1.13200744 2.33512203 1.85613200 H 3.27219963 -0.06618674 3.13132919 -4.00682538 -2.99475975 0.98080281 H 4.75978669 1.22592512 2.78504734 5.05900870 8.10555347 6.86803525 H 4.69366909 0.18742062 4.58343331 1.15019437 -0.48141403 1.48537053 H 2.89755523 1.32602819 4.43998877 -0.90450037 2.23714644 1.18625163 H 0.23171545 3.18190327 2.82266099 -4.82775796 -1.23119109 2.29516048 H 1.71219253 4.42485375 3.12990665 -1.88968724 5.24459267 -2.35922647 H 1.28220450 3.28278197 4.56210000 5.07311249 -10.84087533 1.78751979 H 0.13362859 4.32702941 4.71336832 -7.79870790 6.98529486 1.41997080 H 3.04852473 3.05473499 2.91561068 -1.71619361 -3.24388549 2.60499985 H 4.63661615 4.40480033 2.73218398 1.58779546 3.35750451 1.25263285 H 4.29869006 3.11041876 4.26735611 3.94902644 -2.37421910 2.48330549 H 2.83533445 4.24148635 4.58611608 2.47779655 3.51516953 3.52772815