Bi Te C H N Br Co                       
   1.00000000000000     
    16.0494270324999988    0.0000000000000000    0.0000000000000000
    -0.6172867071000000   16.0375517205999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000   30.0000000000000000
   Bi   Te   C    H    N    Br   Co
    30    45    44    24     4     4     1
Selective dynamics
Direct
  0.9988392213420738  0.0024404480719653  0.3942460514008914   T   T   T
  0.9334848158716156  0.2679286328476351  0.3952233631716240   T   T   T
  0.8663211310748125  0.5343316681665300  0.3955639416633474   T   T   T
  0.7992899613808007  0.8010194266409130  0.3952078356806297   T   T   T
  0.7336002584051187  0.0663476441060524  0.3926871575527002   T   T   T
  0.6659920462780633  0.3341314351196374  0.3940213603120029   T   T   T
  0.2675611648156249  0.9336875545721526  0.3928556283780935   T   T   T
  0.1991741454153413  0.2011026607734081  0.3933311896166884   T   T   T
  0.1325212359390378  0.4670591369765376  0.3953282872359054   T   T   T
  0.0655556293364370  0.7342255843795726  0.3947345705333944   T   T   T
  0.5317962117274107  0.8674233237850686  0.3934001477175642   T   T   T
  0.4666881690889966  0.1357614648745908  0.3930339770985043   T   T   T
  0.4002440977572732  0.4014144908443100  0.3967083591345713   T   T   T
  0.3332755700848864  0.6666110707696618  0.3969298603580498   T   T   T
  0.5981278676197874  0.6007863122258925  0.3964053346787182   T   T   T
  0.0442706767000161  0.1567156345784042  0.2597427695321031   T   T   T
  0.9768275039989192  0.4233700865686743  0.2602482194893341   T   T   T
  0.9098633266048424  0.6896034268228419  0.2611751560512943   T   T   T
  0.8441216609029070  0.9564177995635177  0.2601577619343445   T   T   T
  0.7775324602524449  0.2237744718010219  0.2598308627126045   T   T   T
  0.7099893738756080  0.4898159807136224  0.2612323775985388   T   T   T
  0.3106196270445452  0.0904218951399614  0.2600010207801873   T   T   T
  0.2436646212277012  0.3570397467894963  0.2604452402942030   T   T   T
  0.1770831757228279  0.6224683816643761  0.2611069696030981   T   T   T
  0.1106525778461034  0.8891186751998745  0.2607889787824860   T   T   T
  0.5777157643903479  0.0232047831983664  0.2595066230260059   T   T   T
  0.5106459503816154  0.2903681080930696  0.2601017806925370   T   T   T
  0.4432289809171479  0.5560675065454461  0.2608753465275200   T   T   T
  0.3771539388952192  0.8226856157181359  0.2603681169371370   T   T   T
  0.6431462435670525  0.7555954731358554  0.2607124032791219   T   T   T
  0.0448772472590235  0.1568989826574665  0.4516513792965284   T   T   T
  0.9768510084976612  0.4230220973770784  0.4527474481354474   T   T   T
  0.9100902493815610  0.6900468400877031  0.4525448125349243   T   T   T
  0.8435145333596807  0.9570901210176856  0.4514982970976718   T   T   T
  0.7762823511867438  0.2202290932024340  0.4494883690745297   T   T   T
  0.7101261097247402  0.4884717589790242  0.4509723605174187   T   T   T
  0.3110772203016410  0.0888963006732197  0.4485115002261963   T   T   T
  0.2442176343307949  0.3537474433135941  0.4507952756326503   T   T   T
  0.1759375901191760  0.6235242224680135  0.4513624852542080   T   T   T
  0.1120013449594452  0.8923735326804518  0.4490805857882449   T   T   T
  0.5773055319544227  0.0243245655462658  0.4483927613388659   T   T   T
  0.5114733292874405  0.2890056262675813  0.4522835013335396   T   T   T
  0.4436158380162638  0.5561177822523575  0.4559838585333438   T   T   T
  0.3772189740235916  0.8240597934045226  0.4520479666640398   T   T   T
  0.6418785818851802  0.7592649491300207  0.4506087201621511   T   T   T
  0.1546578745492084  0.0449794108802521  0.3267513776138031   T   T   T
  0.0877811433550590  0.3123379356549520  0.3274036768708726   T   T   T
  0.0213848057616275  0.5782013355331443  0.3281241565057371   T   T   T
  0.9543422446862451  0.8457862322805596  0.3276895797934074   T   T   T
  0.8889596921066385  0.1131878653850791  0.3268769275525045   T   T   T
  0.8217522506924198  0.3786776057103793  0.3278976011369679   T   T   T
  0.4218443150735069  0.9799170709021894  0.3261908745779607   T   T   T
  0.3550620351423746  0.2475101168394573  0.3272525936223758   T   T   T
  0.2883613827691534  0.5115836998446994  0.3288067163667350   T   T   T
  0.2221895587311948  0.7765393413158961  0.3281026513024585   T   T   T
  0.6880155962997989  0.9110351644600669  0.3268816696020380   T   T   T
  0.6221132419555886  0.1788290071775975  0.3264252008576491   T   T   T
  0.5544086406632829  0.4456836859855642  0.3283295403765720   T   T   T
  0.4872583908917321  0.7110014103165767  0.3280399644603804   T   T   T
  0.7534518402766608  0.6449321163936972  0.3286780519520676   T   T   T
  0.0000430636425364  0.0001534105333363  0.2036418241834284   T   T   T
  0.9329606346721775  0.2682554213642661  0.2031842322966781   T   T   T
  0.8650169817352094  0.5344447439076632  0.2042223360675095   T   T   T
  0.7988954207954819  0.8001493496091570  0.2041066188625820   T   T   T
  0.7335546145765335  0.0678652033094238  0.2031316466978836   T   T   T
  0.6662411409054840  0.3353187336194452  0.2035612991646829   T   T   T
  0.2658323537700724  0.9339482811382851  0.2038372059453337   T   T   T
  0.1994168906612117  0.2019969817995744  0.2032568300937214   T   T   T
  0.1322778954525674  0.4680584842947368  0.2037611926460912   T   T   T
  0.0654614318021913  0.7330983239226327  0.2044489955049116   T   T   T
  0.5324448201739571  0.8666241384709323  0.2035247227468702   T   T   T
  0.4662633026618863  0.1351349681444560  0.2033043054540826   T   T   T
  0.3989344002696384  0.4014624303420007  0.2036444079860615   T   T   T
  0.3322659217029198  0.6667659473196466  0.2040394875356810   T   T   T
  0.5986789679499793  0.6000941133843156  0.2040974648708698   T   T   T
  0.4374831750918062  0.3740189924267767  0.5879966636459812   T   T   T
  0.4879763738240825  0.3085953565419288  0.6044197059978700   T   T   T
  0.5685801944414806  0.3381302937507158  0.6034281588742445   T   T   T
  0.5678517413728912  0.4219768118264753  0.5866458284098499   T   T   T
  0.6394349770062675  0.4712083269704692  0.5771399837678501   T   T   T
  0.3519241501094044  0.3649425874178149  0.5794123978281220   T   T   T
  0.7048576107036979  0.6099420553173971  0.5554604248040818   T   T   T
  0.6781097090632215  0.6893994160737194  0.5565463767919923   T   T   T
  0.5911619692465209  0.6843630948825989  0.5682290861969364   T   T   T
  0.6345078611807367  0.5559000167425765  0.5667930104069754   T   T   T
  0.5440378213858423  0.7528780420508525  0.5793718877042267   T   T   T
  0.2613774967169391  0.5619716422170882  0.5671847750416532   T   T   T
  0.1909129841324244  0.5079029197416034  0.5561071785842486   T   T   T
  0.2176609749888740  0.4284505671768812  0.5571835774991740   T   T   T
  0.3047363522060920  0.4335281257536252  0.5685052335806589   T   T   T
  0.4083215510864875  0.8086808791172544  0.6053707302707139   T   T   T
  0.3277006906070952  0.7791624612213823  0.6045224988190938   T   T   T
  0.3282323337672537  0.6956105764338503  0.5873297519520904   T   T   T
  0.4586214335687373  0.7435558595677776  0.5884203840981783   T   T   T
  0.2565601441369623  0.6466114956344029  0.5776776923035243   T   T   T
  0.7225977314260561  0.4340055307245265  0.5799580710799219   T   T   T
  0.7872211664641711  0.4719108955844007  0.6054281353251909   T   T   T
  0.8662417873038777  0.4388560236679808  0.6074923495873321   T   T   T
  0.8810510934943281  0.3655256122656922  0.5843706531046351   T   T   T
  0.8179927308200092  0.3252073744613000  0.5596934108974310   T   T   T
  0.7397568264587306  0.3598508685714776  0.5573413912978111   T   T   T
  0.3102251774331179  0.2811257197461572  0.5834227485421764   T   T   T
  0.3428797814506339  0.2115842810386255  0.5620732870874150   T   T   T
  0.3061423664130913  0.1320182988380481  0.5669992917784370   T   T   T
  0.2336733634544217  0.1214512658904709  0.5922575469741531   T   T   T
  0.1988772805719137  0.1891194814277668  0.6135786979825113   T   T   T
  0.2379320991248122  0.2679104289798460  0.6094686830517873   T   T   T
  0.1735248552621016  0.6840636681546641  0.5804232647153356   T   T   T
  0.1570593208216948  0.7587025377231811  0.5580963346184831   T   T   T
  0.0790182124204506  0.7937491613118937  0.5603745485047114   T   T   T
  0.0153171132139462  0.7531433997563326  0.5844426805077845   T   T   T
  0.0294055626591430  0.6793178099878574  0.6072617300435397   T   T   T
  0.1083502255831235  0.6460479163088522  0.6054655229369814   T   T   T
  0.5853153528853596  0.8369545698523240  0.5829598478791809   T   T   T
  0.5510178910334673  0.9062111503408232  0.5621185132520807   T   T   T
  0.5872757076514432  0.9860884176071707  0.5665592348805433   T   T   T
  0.6609902208658340  0.9972864196960174  0.5907126488733638   T   T   T
  0.6973531687441437  0.9299673756817768  0.6115429997776474   T   T   T
  0.6587289165806709  0.8508733538211999  0.6080195245288138   T   T   T
  0.4645410804371011  0.2480096717175826  0.6158739279055894   T   T   T
  0.6237229589868036  0.3061885072908268  0.6137937905392334   T   T   T
  0.7671684469124074  0.5900443628046119  0.5479707673327994   T   T   T
  0.7145907410122874  0.7465068926773668  0.5504278355480281   T   T   T
  0.1284703220746337  0.5277265537735119  0.5489116806135357   T   T   T
  0.1811028986977234  0.3712987702915527  0.5513386650831364   T   T   T
  0.4318893456393909  0.8690453993280656  0.6170801920030371   T   T   T
  0.2726789711588680  0.8109156634190740  0.6152520489492019   T   T   T
  0.7752797548329582  0.5283597614882964  0.6242697551872496   T   T   T
  0.9155558603882383  0.4695474413078813  0.6272035346982108   T   T   T
  0.8298831209203570  0.2677556749199255  0.5418044634177832   T   T   T
  0.6912722260247364  0.3289233544579275  0.5370583145909791   T   T   T
  0.3979280305498918  0.2199103510971838  0.5409334545474138   T   T   T
  0.3330947788904055  0.0787354237835345  0.5506729306065381   T   T   T
  0.1425518639632983  0.1804769452373378  0.6336374993620524   T   T   T
  0.2120768121159244  0.3202293791527566  0.6273171803945203   T   T   T
  0.2059359218753229  0.7896583359314775  0.5380878092969823   T   T   T
  0.0677253662878172  0.8516901177262923  0.5428225692822508   T   T   T
  0.9795950458510347  0.6484045877575184  0.6265267205416833   T   T   T
  0.1197500541442196  0.5892870945596798  0.6241451938412439   T   T   T
  0.4950206459890012  0.8973725309776697  0.5417494017058928   T   T   T
  0.5589824940061661  0.0390975255708028  0.5506762489729127   T   T   T
  0.7545936496502037  0.9391340182145598  0.6307978210191649   T   T   T
  0.6858723592759830  0.7988911133049896  0.6255603835315142   T   T   T
  0.4865131861938465  0.4454589637822366  0.5797040450695334   T   T   T
  0.5633931286730771  0.6016748629008504  0.5714678312615291   T   T   T
  0.3325398327288980  0.5161897542478897  0.5716926354489971   T   T   T
  0.4095137285870223  0.6722078570165593  0.5800658531553040   T   T   T
  0.9075336766722231  0.7993944675517710  0.5857179279686591   T   T   T
  0.7126256869178036  0.1061445129658978  0.5946225306937691   T   T   T
  0.9889189945416561  0.3195055339572193  0.5861849554901184   T   T   T
  0.1817308914639355  0.0128725101880960  0.5970685814658978   T   T   T
  0.4479652325353456  0.5588844049829405  0.5735629174922607   T   T   T
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
