32
Lattice="12.66404914855957 0.0 0.0 0.0 12.66404914855957 0.0 0.0 0.0 12.66404914855957" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.41315908648744 stress="-27.42598616753607 0.352547028932674 -0.9285889598806847 0.352547028932674 -27.029217640262722 -0.9885068903258727 -0.9285889598806847 -0.9885068903258727 -28.20837996907936" pbc="F F F"
Ba      -0.12049575       0.09262900       0.09204096      -0.20253593      -0.28062354      -0.31446393 
Ba       3.36875686       3.00887437      -0.13472070      -0.11665523       0.46444762      -0.31092219 
Ba       2.98959225      -0.13741853       3.30468189       0.28964605      -0.35261557       0.16521416 
Ba      -0.18489349       3.18166966       3.02296605      -0.36474885       0.17548606       0.21051475 
Ba       5.99876670      -0.03420984       0.16882826       0.23990956      -0.54362133      -0.27445210 
Ba       9.55223794       2.92322848      -0.11208157       0.23871282       0.18283719      -0.33695282 
Ba       9.32139202       0.18564236       3.32088209       0.36346364      -0.77586038      -0.27007620 
Ba       6.48504799       3.32919496       3.25818266      -0.64282170      -0.13720346       0.12460220 
Ba       0.22466171       6.47890985      -0.12164601      -0.42976657      -0.35794103      -0.58635778 
Ba       3.26251132       9.49142961       0.12750193       0.03624447       0.55514954      -0.69562332 
Ba       2.99441255       6.29681340       3.09811360       0.42406687      -0.57656582       0.18142934 
Ba      -0.03508886       9.40491754       2.97469231      -0.45935274       0.61515474       0.21852019 
Ba       6.49184640       6.48115389       0.24284059      -0.31851874      -0.42656640      -0.89997449 
Ba       9.59349819       9.52515004       0.12420575       0.21987101       0.35166427      -0.19294822 
Ba       9.31546374       6.42043536       3.13771226       0.88411084      -0.20547995       0.22707946 
Ba       5.92182872       9.34935018       3.17735894       0.35924266       0.80827403       0.36967961 
Ba      -0.12334412      -0.02027049       6.38477396      -0.53174949      -0.36074060      -0.22536713 
Ba       3.11389097       2.98140277       6.32745314       0.23169824       0.48670746      -0.26384594 
Ba       3.03373578      -0.13216084       9.34527134       0.13497248      -0.54346743       0.45438952 
Ba      -0.06678005       2.95265018       9.57365275      -0.30471890       0.39710811       0.29825270 
Ba       6.55885760      -0.05515562       6.69042246      -0.38991571      -0.45496007      -0.35868404 
Ba       9.71452577       2.93761656       6.15289736       0.46194189       0.65302481       0.32577507 
Ba       9.65108450       0.16907269       9.56756462       0.28232975      -0.12601775       0.38878682 
Ba       5.97266103       3.12275774       9.68215762       0.13591920       0.31625167       0.36158775 
Ba       0.19309621       6.48361064       6.08430528      -0.67788686      -0.43909583       0.23364507 
Ba       3.22731156       9.43541498       6.44028012       0.02092968       0.72591514      -0.29923421 
Ba       2.98451604       6.56767622       9.54978686       0.23823784      -0.79701358       0.46016692 
Ba       0.11135716       9.35389471       9.55665711      -0.55031331       0.46272010       0.25528706 
Ba       6.37246185       6.37763707       6.26170014      -0.38363796      -0.47864124       0.03527552 
Ba       9.61188365       9.41870381       6.27831656       0.25763522       0.53886751      -0.16671013 
Ba       9.33027858       6.42404021       9.30416695       0.47150915      -0.45468556       0.45761864 
Ba       6.19480328       9.28260882       9.56980026       0.08218061       0.57749129       0.42778772