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=-4.650505069432963 stress="-0.0012207340096887231 9.036221132768174e-05 -0.0001258328593610208 9.036221132768174e-05 -0.0011585565951442722 -0.00011545251172875092 -0.0001258328593610208 -0.00011545251172875092 -0.0012468573348864977" free_energy=-4.650505069432963 pbc="F F F" H 20.88909689 21.11115480 21.11044915 -2.22831369 -1.75005271 -3.09282775 H 22.70960170 22.31143450 20.86432452 -2.87252470 6.43207878 -1.71813391 H 22.28829595 20.83509776 22.36371066 1.02185488 -2.16772728 3.48039122 H 21.07687608 22.51878885 22.32834452 -2.53684169 2.32316295 0.09878624 H 23.64970377 20.95894820 21.08349577 5.21970861 -5.54347782 -0.83716568 H 25.42640788 22.26701478 20.84743642 0.59836401 0.54348523 -1.00331226 H 25.28802619 21.22277084 22.68584377 0.69445303 -8.59550380 -9.37387309 H 24.18362810 22.69581920 22.56686874 -4.93803286 -3.60842919 -0.05158317 H 21.26959405 24.17626233 20.85402479 -0.89051439 -2.58484395 -2.56778306 H 22.70996341 25.49207130 21.15300231 -1.75138600 2.98855180 -4.24747978 H 22.53848316 23.95774659 22.61922360 0.00791284 -2.86894544 -2.59317470 H 20.95789336 25.38825682 22.27041603 -1.63031798 2.74172463 1.30999403 H 24.19178619 24.17895518 21.29140871 -4.52596665 -4.11516778 -11.80621414 H 25.61455359 25.53253581 21.14904689 1.54867878 2.29830296 -1.27070115 H 25.28091226 24.10609294 22.46603997 10.86770081 -2.22568177 3.52219055 H 23.80598025 25.32157598 22.51361598 1.64721865 8.27075331 4.22283419 H 20.85198705 20.97567541 24.06329927 -3.82474432 -3.04936704 -1.96655139 H 22.14088401 22.27846858 23.89536594 4.51036499 2.52397886 0.72512650 H 22.34126820 20.84140700 25.31668137 2.06113159 -2.22688048 1.78079418 H 20.91779942 22.24396547 25.59073906 -1.13200744 2.33512203 1.85613200 H 24.27219963 20.93381326 24.13132919 -4.00682538 -2.99475975 0.98080281 H 25.75978669 22.22592512 23.78504734 5.05900870 8.10555347 6.86803525 H 25.69366909 21.18742062 25.58343331 1.15019437 -0.48141403 1.48537053 H 23.89755523 22.32602819 25.43998877 -0.90450037 2.23714644 1.18625163 H 21.23171545 24.18190327 23.82266099 -4.82775796 -1.23119109 2.29516048 H 22.71219253 25.42485375 24.12990665 -1.88968724 5.24459267 -2.35922647 H 22.28220450 24.28278197 25.56210000 5.07311249 -10.84087533 1.78751979 H 21.13362859 25.32702941 25.71336832 -7.79870790 6.98529486 1.41997080 H 24.04852473 24.05473499 23.91561068 -1.71619361 -3.24388549 2.60499985 H 25.63661615 25.40480033 23.73218398 1.58779546 3.35750451 1.25263285 H 25.29869006 24.11041876 25.26735611 3.94902644 -2.37421910 2.48330549 H 23.83533445 25.24148635 25.58611608 2.47779655 3.51516953 3.52772815