32 Lattice="7.330979291528909 0.0 0.0 0.0 7.330979291528909 0.0 0.0 0.0 7.330979291528909" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-122.78165043700379 pbc="F F F" Mo 0.01403781 0.02689068 -0.00663587 42 0.10948642 2.07640552 0.50817114 S 1.84411732 1.80409025 0.02639698 16 0.97705382 -1.03101671 -1.71404089 Mo 1.87194023 0.03508086 1.86406819 42 0.17192841 1.90913044 -3.29120381 S -0.02680699 1.81204700 1.85120210 16 1.61260265 -0.55125034 3.54277690 Mo 3.67168772 -0.01002580 -0.00537096 42 -3.02975503 1.24860055 -1.31034452 Mo 5.48116297 1.86426392 0.03025113 42 1.54450968 2.10699034 1.06353594 Mo 5.51104889 -0.02789710 1.83338909 42 1.00849798 0.57655667 2.08193278 S 3.63497500 1.84495182 1.83438792 16 -0.61699791 -3.06878887 -1.17808536 S -0.01595846 3.65774961 -0.02048137 16 0.69886403 1.13184210 -1.01065610 Mo 1.79883687 5.49920012 0.00161757 42 -1.73493026 2.73860250 0.19487661 Mo 1.82434500 3.69286487 1.85820826 42 0.96854751 -5.57240756 -3.70501939 S -0.00571416 5.53069214 1.79829722 16 2.39756238 -0.83873173 2.44620361 Mo 3.69348454 3.68677078 -0.01413193 42 -0.76819187 -4.03389565 2.18015303 Mo 5.48653179 5.47032184 0.01303367 42 0.47997288 0.86635415 2.16759738 S 5.52233345 3.67950779 1.85610345 16 2.56113974 0.99057177 -2.67072440 S 3.66822424 5.50029804 1.82210817 16 -2.45077752 0.65598772 -2.09537811 Mo 0.01144003 0.00983608 3.67833901 42 -2.12976430 0.14132992 1.45071876 Mo 1.83740506 1.85405311 3.64325286 42 3.03914910 3.48580677 4.58552229 S 1.88142740 0.02284767 5.47440450 16 -0.21181108 -1.20501408 -1.64079565 S 0.03429295 1.82787354 5.49862070 16 -1.15725098 0.37640577 -2.34599586 Mo 3.63773032 -0.01020256 3.66051231 42 2.95512278 0.56431838 3.53110605 S 5.46849684 1.79662738 3.65041092 16 2.07270920 -2.70780128 -1.15352333 S 5.50972462 -0.00514151 5.49362325 16 -0.35015444 -1.44430255 0.07217176 S 3.63277195 1.85461368 5.47812089 16 -0.91653175 -1.48900772 -0.13235344 Mo -0.02654580 3.69318077 3.67961822 42 -4.54524661 -0.97644731 2.17171168 Mo 1.85810756 5.48674580 3.66738640 42 0.72035451 2.16036252 -0.79446516 S 1.84776248 3.69048414 5.44847938 16 -0.08583898 1.26262245 -0.23377732 S -0.01063187 5.47915266 5.52474063 16 -0.34215470 0.29729738 -1.78618633 S 3.64249734 3.65494373 3.65230629 16 -1.35679289 3.54570571 0.46519098 Mo 5.51758175 5.51270295 3.66158237 42 -1.14635855 -2.51930643 -4.08748788 S 5.51094253 3.67236970 5.50784199 16 0.58386285 2.38958018 0.40254361 Mo 3.69992972 5.51760926 5.46333887 42 -1.05880708 -3.08650062 2.28582502