Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.34331150135572e-19, 3.4944754128847197e-19, 4.4317006784757e-19, 5.230594013487119e-19, 5.92787730637026e-19, 6.544298744535419e-19, 7.09280391518532e-19, 7.5829257692922595e-19, 8.02310777771742e-19, 8.419149819875879e-19, 8.77581036037062e-19, 9.09528438119022e-19, 9.379830951388619e-19, 9.631917422982179e-19, 9.853578560296079e-19, 1.0046608801160399e-18, 1.0212578278676458e-18, 1.0352848842983159e-18, 1.0469102779546199e-18, 1.0563150547961999e-18, 1.0634879995866179e-18, 1.06851562986411e-18, 1.071478054460376e-18, 1.072450575677214e-18, 1.0713931390987738e-18, 1.067948459335674e-18, 1.061735218349022e-18, 1.052219891319696e-18, 1.03861901387367e-18, 1.020099454161264e-18, 9.956486365497898e-19, 9.64015261088094e-19, 9.236500229710979e-19, 8.72631912414636e-19, 8.085384383480999e-19, 7.28375132642544e-19, 6.282567169605179e-19, 5.03117108785314e-19, 3.4643865356982e-19, 1.502143133679576e-19, -9.712843364765519e-20, -4.11373270369206e-19, -8.138400408300059e-19, -1.334078009126244e-18, -2.0151376614134998e-18, -2.9193901318767598e-18, -4.14245973073968e-18, -5.83310855846916e-18, -8.232352046117819e-18, -1.175440091887368e-17, -1.71522621729504e-17, -2.5909279001404198e-17, -4.12634183380164e-17, -7.141798476653039e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.0170711162809535
Energy: -2.738041485762398
Energy: -2.737893226825529
Energy: -2.7378460778164224
Energy: -2.738004158676241
Energy: 0.01712618060088753
Energy: -2.7380414857612
Energy: -1.6278215663613589
Energy: -2.7379608275427474
Energy: -2.7379183513091805
Energy: -2.737864010318849
Energy: -2.7378720788616486
Energy: -2.7378932268292155
Energy: -2.737960827543531
Energy: -1.663463557595586
Energy: 0.017415585109175544
Energy: -2.737898658333887
Energy: -2.7379787645396303
Energy: -2.7378460778164224
Energy: -2.7379183513075676
Energy: 0.017415585109175544
Energy: 0.017415856912521288
Energy: -2.737999287062976
Energy: -2.7380517050300206
Energy: -2.738004158675044
Energy: -2.7378640103200467
Energy: -2.7378986583351312
Energy: -2.7379992870642202
Energy: -1.6634452383183005
Energy: -2.7379054199799104
Energy: 0.01712618060130227
Energy: -2.737872078862478
Energy: -2.7379787645412432
Energy: -2.7380517050291915
Energy: -2.7379054199806943
Energy: 0.01716445771165127

minimum gb energy = -2.7380517050300206 eV
minimum distance =  2.72174217326425 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.531239031555389
Energy: 2.2516380645150647
Energy: 2.2348520563096246
Energy: 1.9731486717622855
Energy: 2.2456037272092857
Energy: 1.8318781593621092
Energy: 2.5409253483728445
Energy: 1.9218195018372028
Energy: 1.9683889094531013
Energy: 2.0627326984504437
Energy: 1.9664385379454015
Energy: 1.951547981717402
Energy: 2.53890511705909
Energy: 1.9715077151771059
Energy: 1.9193325799000918
Energy: 2.2038526482530125
Energy: 1.9613597675314889
Energy: 1.963516886367898
Energy: 2.6925691160598806
Energy: 1.9553986683578726
Energy: 1.9673322991418938
Energy: 2.213495889434686
Energy: 1.9439462884768113
Energy: 1.9576697017650673
Energy: 2.543304220262302
Energy: 1.9615428345496182
Energy: 1.964259741610027
Energy: 2.081139057801369
Energy: 1.9284516443480726
Energy: 1.9548183277918973
Energy: 2.5403292934405086
Energy: 1.735510939235371
Energy: 1.746290382531875
Energy: 1.9396451298377981
Energy: 1.7610698983983706
Energy: 1.7598346198415773
Energy: 2.5404114977929253
Energy: 1.7619659484783274
Energy: 1.7562851102557442
Energy: 1.738624393063945
Energy: 1.7374029591963385
Energy: 1.763543376803733
Energy: 2.541921617828197
Energy: 2.0819656603302636
Energy: 1.9507666900823262
Energy: 2.0825579469634627
Energy: 1.7533419612264025
Energy: 2.0836820593738534
Energy: 2.5355759909851985
Energy: 1.7719329288184373
Energy: 1.7586749832182793
Energy: 1.9719358032589465
Energy: 1.7614994133181148
Energy: 2.019029217217962
Energy: 2.535120533169801
Energy: 1.7729784311636134
Energy: 1.7557666899088973
Energy: 1.9704708875947392
Energy: 1.7440402740914345
Energy: 1.8425106731541625
Energy: 2.5414808885325235
Energy: 1.9534379031622486
Energy: 1.9648249898238594
Energy: 2.0339016404534846
Energy: 1.9392413212550632
Energy: 1.9544536281894906
Energy: 2.6924403695660426
Energy: 1.971804929200417
Energy: 1.8098887566970578
Energy: 2.15510529651409
Energy: 1.9723480582844495
Energy: 1.9735841899426982
Energy: 2.7262655899158728
Energy: 1.9710835832430889
Energy: 1.7825392039244483
Energy: 2.153451899517309
Energy: 1.9720728206309386
Energy: 1.974485460406298
Energy: 2.5393948554639634
Energy: 1.9633013433711028
Energy: 1.9646336392793389
Energy: 2.0407931441353804
Energy: 1.9621660965705892
Energy: 1.9714765056426158
Energy: 2.529395505238886
Energy: 1.952077162723894
Energy: 1.9573612921081578
Energy: 1.9651339201623814
Energy: 1.9460516886124102
Energy: 1.9633664354790197
Energy: 2.530760011615367
Energy: 1.9599012568712277
Energy: 1.9659174016474303
Energy: 1.9593456961071465
Energy: 1.9725770071446393
Energy: 1.946345893336084
Energy: 2.541380021943138
Energy: 1.959549523312583
Energy: 2.064064015708749
Energy: 2.0813198542523033
Energy: 1.7596624280158772
Energy: 1.9660329329934538
Energy: 2.7027398265237665
Energy: 1.7179395757803528
Energy: 1.7253714358711325
Energy: 1.768813721842153
Energy: 1.7603044383208177
Energy: 1.7521973109274847
Energy: 2.711641663109855
Energy: 1.7605558675657136
Energy: 1.9501182787211182
Energy: 2.0803605872889284
Energy: 1.7582378232935172
Energy: 1.7508692967174802
Energy: 2.5464744921033313
Energy: 1.7589079598019206
Energy: 2.0790289975549725
Energy: 2.0724161407083836
Energy: 1.7344806430196569
Energy: 1.958193930253313
Energy: 2.6970131466480405
Energy: 1.7581623695350266
Energy: 1.8654554142154236
Energy: 1.848102467586345
Energy: 1.7686113656781037
Energy: 1.7610372175610662
Energy: 2.5391044017081037
Energy: 1.756085447705085
Energy: 1.7738070367994474
Energy: 2.157197120590258
Energy: 1.7321121433774813
Energy: 1.9668744158708786
Energy: 2.5330826439127216
Energy: 1.928372551673697
Energy: 1.9660072405530056
Energy: 1.9485403866676059
Energy: 1.9647356719761315
Energy: 1.9140128365747058

minimum gb energy = 1.7179395757803528 eV
minimum distance =  2.53567226309755 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.6950060872717074
Energy: 2.597452656617231
Energy: 2.2095378779734722
Energy: 2.334722514531837
Energy: 2.214348711804232
Energy: 2.0457063241126776
Energy: 3.009986257551741
Energy: 2.049170728901725
Energy: 2.318670823929974
Energy: 2.416948908430353
Energy: 2.3357181457914953
Energy: 2.0678628500183867
Energy: 2.6959394409206965
Energy: 2.0667167994596176
Energy: 2.173933437583833
Energy: 2.4933642211483553
Energy: 2.0553308696598713
Energy: 2.066681216389873
Energy: 3.0086943869622864
Energy: 2.031655248875639
Energy: 2.0770024169394987
Energy: 2.4968843377438152
Energy: 2.0502411316294777
Energy: 2.000134726912193
Energy: 2.7004202235971397
Energy: 2.0647137313858024
Energy: 2.2349932116272506
Energy: 2.7039301488363976
Energy: 2.1878002267158756
Energy: 2.067592914659137
Energy: 2.806844520361685
Energy: 1.9107791173809867
Energy: 2.1011195017739284
Energy: 2.30450643915572
Energy: 1.9115258917846263
Energy: 1.876432818912557
Energy: 2.80569972155103
Energy: 1.9148687156816713
Energy: 1.9184221346496693
Energy: 1.9817894703902876
Energy: 1.9191217164794037
Energy: 1.9141753658149652
Energy: 2.7014636409457626
Energy: 2.225105713140253
Energy: 2.316555089297175
Energy: 2.393870574738461
Energy: 1.908482005618078
Energy: 2.246692586504139
Energy: 2.691593375042038
Energy: 2.070788748001478
Energy: 2.0680309919851094
Energy: 2.0476375638503708
Energy: 2.0673214564215066
Energy: 2.2329961993126193
Energy: 2.692802800505819
Energy: 2.0689629661577733
Energy: 2.0207179076573887
Energy: 2.047930389450384
Energy: 2.05225635497352
Energy: 1.9770451198839447
Energy: 2.6987264859176
Energy: 2.231497009100897
Energy: 2.0782642003974185
Energy: 2.3116652851585773
Energy: 2.072171264221932
Energy: 2.3203753876650324
Energy: 2.6988944803174135
Energy: 2.3133380140515425
Energy: 2.287870538603963
Energy: 2.57511084800252
Energy: 2.326690551939561
Energy: 2.3056956028634144
Energy: 2.787678905690681
Energy: 2.3159469956768852
Energy: 2.255286150855271
Energy: 2.5731477452159703
Energy: 2.329261510434053
Energy: 2.3126491361744237
Energy: 2.7071199655876947
Energy: 2.3282614309778964
Energy: 2.077794819391815
Energy: 2.3699411585499672
Energy: 2.065778580622819
Energy: 2.368729645518618
Energy: 2.7983071336388643
Energy: 1.9333895203422666
Energy: 1.9248124330611496
Energy: 2.0494306274190968
Energy: 1.9367570678005808
Energy: 1.9324046457291408
Energy: 2.786631850403388
Energy: 1.9294151737715546
Energy: 1.9261496703185506
Energy: 2.045487342581779
Energy: 1.9335110945378449
Energy: 2.319678518083023
Energy: 2.70870264869349
Energy: 2.405238809990994
Energy: 2.0657357205870666
Energy: 2.4052564752644567
Energy: 1.934504857917254
Energy: 2.3647872300798243
Energy: 2.70109687957115
Energy: 1.9359380350497875
Energy: 1.930559044862653
Energy: 1.924879677331221
Energy: 1.9361959323955436
Energy: 1.97986585960629
Energy: 2.6978071384972684
Energy: 1.937097204050896
Energy: 1.9168917977576454
Energy: 2.037532978001555
Energy: 1.8890108785885305
Energy: 1.931426441669432
Energy: 2.785385888262324
Energy: 2.3312253513063492
Energy: 2.0650768832259656
Energy: 2.6500662677378473
Energy: 2.0275020577727374
Energy: 2.3217053670480934
Energy: 2.7848982995891762
Energy: 2.320473640656172
Energy: 2.2070608160749186
Energy: 2.51892282260603
Energy: 2.3142631082301834
Energy: 2.3235841252691762
Energy: 2.7014113245205738
Energy: 2.3197382507838458
Energy: 2.0494959520214935
Energy: 2.6273310818408118
Energy: 2.241155472900227
Energy: 2.3045648693511835
Energy: 2.6975313723988155
Energy: 2.175830168447981
Energy: 2.065230990692635
Energy: 2.3960750673662696
Energy: 2.069439352147706
Energy: 2.236063241221999
Energy: 2.6928594338777088
Energy: 2.2265863967141266
Energy: 2.0299177337125416
Energy: 2.0442491067133832
Energy: 2.03771030857166
Energy: 2.0152041924645894
Energy: 2.697001197952226
Energy: 2.186387400409945
Energy: 2.067039381729561
Energy: 2.0487296148697647
Energy: 2.069082497586097
Energy: 2.234099298142695
Energy: 2.6998084946451177
Energy: 1.898458175321066
Energy: 1.892238001475115
Energy: 2.3242274949846253
Energy: 1.9112106169515153
Energy: 2.326324523925476
Energy: 2.8752970924294323
Energy: 1.9168462958457608
Energy: 1.9182667266500857
Energy: 2.320291905774356
Energy: 1.9194033377411832
Energy: 1.9192792495244182
Energy: 2.698760973039781
Energy: 1.906793470422312
Energy: 2.3310298278733734
Energy: 2.3964633023811235
Energy: 1.906424280925907
Energy: 2.318825112674829
Energy: 3.0226253074093354
Energy: 2.068208645721057
Energy: 2.2471511243259155
Energy: 2.400227537689986
Energy: 2.0700396265016026
Energy: 2.0697185185874307
Energy: 3.020712599338629
Energy: 2.037846012694969
Energy: 1.9773284792672403
Energy: 2.0304576793140297
Energy: 2.042774617751305
Energy: 2.0050667197018197
Energy: 2.695124311488606
Energy: 2.073578606243546
Energy: 2.2323536055625066
Energy: 2.744729602220054
Energy: 1.872224827113351
Energy: 2.0756737588231324
Energy: 2.6885563089694497
Energy: 2.23176216753305
Energy: 2.315515730610842
Energy: 2.3080475512622938
Energy: 2.3217890219703574
Energy: 2.360219580804134
Energy: 2.6819880868740666
Energy: 2.331310507866486
Energy: 2.325656188036694
Energy: 2.326394445969221
Energy: 2.3205366956204094
Energy: 2.1290037053569124
Energy: 2.695736143728302
Energy: 2.049383849138553
Energy: 2.3248058258106923
Energy: 2.3885210363013516
Energy: 2.229223765304653
Energy: 2.0833229179688604
Energy: 2.9020046581582646
Energy: 1.93677819553876
Energy: 1.930571033928374
Energy: 2.374079018493037
Energy: 1.8899069261233983
Energy: 2.0656864583878343
Energy: 3.0107879132639
Energy: 1.9443471241401384
Energy: 1.9301618081725354
Energy: 2.3666079335468533
Energy: 1.931254257809434
Energy: 1.9280364086587738
Energy: 2.6950250677622716
Energy: 2.0667121991144493
Energy: 2.363785095639422
Energy: 2.42959484338238
Energy: 2.331364155164345
Energy: 2.028255009377748
Energy: 3.0125097280131308
Energy: 1.9412990980985094
Energy: 1.934346633460396
Energy: 2.474184764538726
Energy: 1.935739555105876
Energy: 1.9302808890988787
Energy: 2.902572993119448
Energy: 1.9356677612456115
Energy: 1.9349521299845287
Energy: 2.4725404923019974
Energy: 1.9097665363121485
Energy: 1.9072573566481676
Energy: 2.695777319625986
Energy: 2.06353062367966
Energy: 2.3199169930255534
Energy: 2.3876270180045536
Energy: 2.2281187051413682
Energy: 2.0687513989302175
Energy: 2.6935892720263386
Energy: 2.3258267500630594
Energy: 2.3064375526221443
Energy: 2.2935105572362615
Energy: 2.3087519376564396
Energy: 2.044059250989065

minimum gb energy = 1.872224827113351 eV
minimum distance =  2.51745359715015 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 5.3176724774578625
Energy: 2.3102446013427738
Energy: 2.3019475778395093
Energy: 2.222383861394491
Energy: 2.2785462640757594
Energy: 1.9578536024905453
Energy: 2.6612890787052383
Energy: 1.8303519108938604
Energy: 2.2447605399672654
Energy: 2.696566213613305
Energy: 2.3030707757580107
Energy: 2.3040123433610322
Energy: 2.688394644923577
Energy: 2.296588706841888
Energy: 1.7553607058333485
Energy: 2.653468159418353
Energy: 2.2379988873846424
Energy: 2.3186288846628673
Energy: 2.6970023301416903
Energy: 2.3132963684638272
Energy: 2.2894119225131893
Energy: 2.461367458909436
Energy: 2.3109831356307438
Energy: 2.318599270005871
Energy: 2.6326181566054703
Energy: 2.312202690130261
Energy: 2.2851754427737307
Energy: 2.665280149527035
Energy: 1.835464436622514
Energy: 2.2839161111447326
Energy: 2.61875766072845
Energy: 1.977209328074074
Energy: 2.2579643283919966
Energy: 2.6510486641205424
Energy: 1.9839110763644905
Energy: 1.9850204116699293
Energy: 2.6486525599259982
Energy: 1.929905337089003
Energy: 1.9765714827302967
Energy: 1.987712116113564
Energy: 1.9468119819645282
Energy: 1.9640510716742512
Energy: 2.7014495291628844
Energy: 2.2819557434495494
Energy: 2.253489441221633
Energy: 2.682709888133019
Energy: 1.9878188117496276
Energy: 2.306745966488923
Energy: 2.4215532953542573
Energy: 2.2953214818255367
Energy: 2.3042083390618866
Energy: 2.2887393299500127
Energy: 2.2698262309587114
Energy: 2.4104742071328897
Energy: 2.439742952912521
Energy: 2.2899417928634946
Energy: 2.2726158775564107
Energy: 2.6280221575740916
Energy: 2.3053089588355147
Energy: 1.930702835231862
Energy: 2.703029691765185
Energy: 2.2959686040603087
Energy: 2.276024269409438
Energy: 2.68238476576616
Energy: 2.3092400510218836
Energy: 2.299073318929413
Energy: 2.6688793035008547
Energy: 2.259226612949497
Energy: 2.2813305626695195
Energy: 2.7945279806598906
Energy: 2.266903947672149
Energy: 2.262952884638494
Energy: 2.6828462485423823
Energy: 2.2974411803384522
Energy: 2.29672316954304
Energy: 2.7927903017278215
Energy: 2.294251363088604
Energy: 2.2905823227846827
Energy: 2.674042365230467
Energy: 2.2854565293507085
Energy: 2.3123128147323286
Energy: 2.687145766772277
Energy: 2.292552310934517
Energy: 2.2849453703879905
Energy: 2.6959048052062764
Energy: 1.9783069744968562
Energy: 1.9662489901065863
Energy: 2.8544301053084298
Energy: 1.967459505902808
Energy: 1.9810461625089066
Energy: 2.682039040950067
Energy: 1.948625689484208
Energy: 1.9796885295426079
Energy: 1.952522744312784
Energy: 1.976931742491683
Energy: 2.2991300208178003
Energy: 2.6532542208915073
Energy: 2.287241007051761
Energy: 2.292600187527977
Energy: 2.672551981201364
Energy: 2.247390057118318
Energy: 2.2953555090399163
Energy: 2.447250073348351
Energy: 2.295230781739356
Energy: 2.309764606887804
Energy: 2.297798013624716
Energy: 2.28593724691565
Energy: 1.9998674998891632

minimum gb energy = 1.7553607058333485 eV
minimum distance =  2.52663373678437 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.9699384184905795
Energy: 2.8360159861103167
Energy: 2.6609291500516123
Energy: 2.6888497543384506
Energy: 2.6250437796508894
Energy: 2.6966054020348196
Energy: 2.97531780160907
Energy: 2.2253019478136165
Energy: 2.6655760864574045
Energy: 2.838461704695654
Energy: 2.3241434674782098
Energy: 2.3264670459049066
Energy: 2.9947930410138803
Energy: 2.215932654673548
Energy: 2.136844966403505
Energy: 2.841527353156491
Energy: 2.267015295988292
Energy: 2.292269428958912
Energy: 2.9976781945538855
Energy: 2.311456833652707
Energy: 2.2728738959591834
Energy: 2.6530485024509716
Energy: 2.2929502942057636
Energy: 2.2834093529609474
Energy: 2.9977529715259794
Energy: 2.297696654981016
Energy: 2.3724125704237693
Energy: 2.841853079035854
Energy: 2.1683177714530006
Energy: 2.2801417753627753
Energy: 2.9976181621888864
Energy: 2.2027402070046733
Energy: 2.3407887248804604
Energy: 2.8456522127846164
Energy: 2.241678603900109
Energy: 2.216493820209803
Energy: 2.997425754724584
Energy: 2.2896397541976117
Energy: 1.9898526578070115
Energy: 1.9156390072131322
Energy: 2.2895684803627305
Energy: 2.2930434085227915
Energy: 2.977656545230858
Energy: 2.236779229491972
Energy: 2.3989161579366356
Energy: 2.831547982077403
Energy: 1.8317413141431678
Energy: 2.2350483909611008
Energy: 2.965009596119142
Energy: 2.3176937142758005
Energy: 2.616400652556247
Energy: 2.8476069960229182
Energy: 2.6289180661445837
Energy: 2.17061548407402
Energy: 2.9618124443213807
Energy: 2.6058215386043764
Energy: 2.6407274107238163
Energy: 2.6113191339860924
Energy: 2.6579711333952036
Energy: 2.4317533341557183
Energy: 2.9753805142524263
Energy: 2.2358769527660187
Energy: 2.6070646101788184
Energy: 2.634355294773586
Energy: 2.4291199710530784
Energy: 2.244785258104901
Energy: 2.997100746511013
Energy: 1.8146683092429805
Energy: 1.9030011093232786
Energy: 2.282856272404214
Energy: 1.9090837557505091
Energy: 2.211373413095597
Energy: 2.9694734925270705
Energy: 1.9001440613201075
Energy: 1.9086080847279525
Energy: 2.4038843225578055
Energy: 1.8859153544917036
Energy: 1.8422635387866395
Energy: 2.98184295026918
Energy: 1.8955403298202105
Energy: 2.247998304320508
Energy: 2.608355828776405
Energy: 2.2818081336707934
Energy: 2.3719047075349806
Energy: 2.974867098723179
Energy: 2.627132200376548
Energy: 2.241826556650892
Energy: 2.8865657134374803
Energy: 2.310822330490239
Energy: 2.6013058203002055
Energy: 2.3028911227635542
Energy: 2.6259141035375047
Energy: 2.500481415893573
Energy: 2.9544022657022606
Energy: 2.6607132353837817
Energy: 2.652852203595979
Energy: 2.976400186688928
Energy: 2.3852745527390615
Energy: 2.284546127115463
Energy: 2.627150249118579
Energy: 2.283307808662874
Energy: 2.6452095906507895
Energy: 0.8214374087808248
Energy: 2.2898233443994207
Energy: 2.299760458306752
Energy: 3.0661643011408284
Energy: 2.2536222233179455
Energy: 2.253942557290411
Energy: 2.9594994612912062
Energy: 2.2932066284250983
Energy: 2.2966020925122446
Energy: 2.2329569872018205
Energy: 2.295533677585775
Energy: 2.1489566175523933
Energy: 2.9758553416191305
Energy: 2.4015814493503322
Energy: 2.280029511630619
Energy: 3.0767676301711053
Energy: 1.7972487899162
Energy: 2.645579748539262
Energy: 2.965487180506709
Energy: 2.296500950754882
Energy: 2.217214003937964
Energy: 2.2045252072213635
Energy: 2.245034658325582
Energy: 2.3179461966119552
Energy: 2.9694182515822605
Energy: 2.2752158515112972
Energy: 2.28021732337798
Energy: 2.6115186129609875
Energy: 2.3015918102490764
Energy: 1.9736844994026188
Energy: 2.9779083197373644
Energy: 2.4000618741915734
Energy: 2.2126906017580996
Energy: 2.6018967667739004
Energy: 2.188501159175128
Energy: 2.647328758113262
Energy: 2.382571889909556
Energy: 2.6399494780575132
Energy: 2.433337970135001
Energy: 2.9382556644629094
Energy: 2.608457661269393
Energy: 2.6553296913470974
Energy: 3.1498063693515697
Energy: 2.603617988075881
Energy: 1.8201263916414028
Energy: 2.942832629468377
Energy: 2.6406521571309503
Energy: 2.5706684810833367
Energy: 2.9821536994417075
Energy: 2.234388411906377
Energy: 2.2384034331073424
Energy: 2.651652765818697
Energy: 2.2578466322283104
Energy: 2.637879647124282
Energy: 2.9778823975376785
Energy: 1.7654653872024246
Energy: 1.8206103570894687
Energy: 2.40226744150578
Energy: 1.8533261321416215
Energy: 1.9017914526048711
Energy: 2.997832021737586
Energy: 1.6825465687296401
Energy: 1.8395470081977878
Energy: 1.967523703421316
Energy: 1.912270321304517
Energy: 2.2877115178650382
Energy: 2.9752488180018046
Energy: 2.284645639310846
Energy: 2.413893250707657
Energy: 2.6124317343193697
Energy: 2.330749862640444
Energy: 2.499272821278478
Energy: 2.9535691705092786
Energy: 2.3069742060843668
Energy: 2.600379769419889
Energy: 2.6321370445365906
Energy: 2.625494442122869
Energy: 2.5151731506311044

minimum gb energy = 0.8214374087808248 eV
minimum distance =  2.51349003440283 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 3.9018170058360457
Energy: 2.254847365981808
Energy: 2.263288429405928
Energy: 2.812952080577137
Energy: 2.245061176024419
Energy: -1.038057397007343
Energy: 2.9440864450628985
Energy: 1.269972161694598
Energy: 2.251501920721734
Energy: 2.808809154233839
Energy: 1.2628629997674112
Energy: 2.2444996085078985
Energy: 2.944685234041261
Energy: 2.14838277809788
Energy: 1.254093386773168
Energy: 2.8364187921334363
Energy: 2.233075083805101
Energy: 2.227421483901603
Energy: 2.8183633742672503
Energy: 2.2110626605861223
Energy: 2.2644474033286577
Energy: 2.252551102031603
Energy: 2.1711633815040603
Energy: 2.2129214345527135
Energy: 2.945936882424471
Energy: 2.2268232220514568
Energy: 0.5787440188373333
Energy: 2.8363264324276996
Energy: 1.3130301709823415
Energy: 2.2502853172397925
Energy: 2.9467128747808324
Energy: 2.219879957099235
Energy: 0.8884286223208088
Energy: 2.830555965703637
Energy: -0.2983535687694805
Energy: 2.2504719635565427
Energy: 2.9461215452510787
Energy: 2.257589368550691
Energy: 1.3233134268265578
Energy: -1.0522660963079469
Energy: 2.2395695278778653
Energy: 2.1773386848335545
Energy: 2.942698934045032
Energy: 2.264099196310359
Energy: -0.1135386041291134
Energy: 2.830367590667256
Energy: 0.0986383588133355
Energy: 2.850289097111941
Energy: 2.944792815014827
Energy: -0.2966040166311881
Energy: 2.1909408873838405
Energy: 2.831304355176856
Energy: 2.2560242916889313
Energy: 1.1342631057886354
Energy: 2.8571744888276793
Energy: 2.226688051419403
Energy: 2.196112440001935
Energy: 2.230554239800015
Energy: 2.260180319456255
Energy: -0.31378883435207405
Energy: 2.94405709224629
Energy: -0.4061012506915143
Energy: 2.186157762636589
Energy: 2.831236269680843
Energy: -0.23881506399069344
Energy: 2.21019633671758
Energy: 2.9441829848198005
Energy: 1.1676589726941686
Energy: 2.205001854604856
Energy: 2.8430582675397407
Energy: -0.19819135158278436
Energy: -0.2083428769432352

minimum gb energy = -1.0522660963079469 eV
minimum distance =  2.59534245525897 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 3.5034219991278097
Energy: 2.91261929100049
Energy: 2.9112928470664152
Energy: 2.942337860861927
Energy: 2.911556983686907
Energy: 2.689693388909403
Energy: 2.9863148422789028
Energy: 2.21683119456153
Energy: 2.9011930788989537
Energy: 2.9488181546165806
Energy: 2.8133467611458896
Energy: 2.5750934376170904
Energy: 2.9530454208751187
Energy: 2.2244316825411907
Energy: 2.2212896506213817
Energy: 2.9488867847039253
Energy: 2.2018480289625626
Energy: 2.5547615937975903
Energy: 2.9203998146216494
Energy: 2.2192049740257054
Energy: 2.221595624606472
Energy: 3.1113515551614723
Energy: 2.224904817385398
Energy: 2.215481194769778
Energy: 3.1124405359643244
Energy: 2.2255802841517265
Energy: 2.2261212088425664
Energy: 2.9484239297682806
Energy: 2.201628632432777
Energy: 2.2087876771920696
Energy: 2.9527127707861065
Energy: 2.8907893248406027
Energy: 2.2106703119343063
Energy: 2.883033163425392
Energy: 2.24946158679332
Energy: 2.8957363004522714
Energy: 2.9315496350734374
Energy: 2.910702469372847
Energy: 2.7861348267747506
Energy: 3.0091763597531087
Energy: 2.9124549711560794
Energy: 2.9096826534489333
Energy: 2.922867076453043
Energy: 2.8905900451925333
Energy: 2.2079414313364767
Energy: 2.8836112421628366
Energy: 2.223555462769152
Energy: 2.8967625954054568
Energy: 2.9388539239255453
Energy: 2.424691852541199
Energy: 2.426665422502141
Energy: 2.9475583740466034
Energy: 2.227691061299932
Energy: 2.405987854960982
Energy: 2.938378572935875
Energy: 2.4231618907298267
Energy: 2.415972279238445
Energy: 3.2689436090120676
Energy: 2.419774926176171
Energy: 2.4145608415363187
Energy: 2.9243958017727882
Energy: 2.423517636038215
Energy: 2.421726694229216
Energy: 3.026581646137465
Energy: 2.429111715405957
Energy: 2.366496679643543
Energy: 2.928340939339073
Energy: 2.4209487202939157
Energy: 2.74033894583813
Energy: 2.9485115217039812
Energy: 2.7427179983741525
Energy: 2.4066797642608124
Energy: 2.9605876889388614
Energy: 2.750949031103075
Energy: 2.7434226902327823
Energy: 2.947208572312341
Energy: 2.7460262545026346
Energy: 2.4681148137112703
Energy: 2.929233135019409
Energy: 2.4608059449588895
Energy: 2.736095397342211
Energy: 2.7709828105663252
Energy: 2.742256595403123
Energy: 2.4239233213087314
Energy: 2.9214846655336464
Energy: 2.459307240534724
Energy: 2.7369840106015166
Energy: 2.9557773780258807
Energy: 2.6965179265252335
Energy: 2.5662479828425995
Energy: 3.1540641332251234
Energy: 2.7412893779428433
Energy: 2.736308293424992
Energy: 2.9554441866182617
Energy: 2.7306904947385826
Energy: 2.6399170416598765
Energy: 2.93083879210028
Energy: 2.427808057516116
Energy: 2.7305115933801205
Energy: 2.9813745876114464
Energy: 2.711886388508504
Energy: 2.6431653710908174
Energy: 2.919513090907911
Energy: 2.418271663600729
Energy: 2.7338424424408814
Energy: 2.9478241819553364
Energy: 2.413638848019137
Energy: 2.3887097539128916
Energy: 2.9365339243728252
Energy: 2.4064734712374523
Energy: 2.4120034468325278
Energy: 2.3267282223217176
Energy: 2.416563060757982
Energy: 2.410579670928551
Energy: 2.93832861369179
Energy: 2.4175134607833626
Energy: 2.4355404270597223
Energy: 2.917945455599467
Energy: 2.421502609455463
Energy: 2.4143647002637683
Energy: 2.9279804967926637
Energy: 2.580519886521391
Energy: 2.195340562901502
Energy: 2.9161403348594153
Energy: 2.213136663881538
Energy: 2.913756107982902
Energy: 2.9256552043337747
Energy: 2.905745767095078
Energy: 2.8837288796304823
Energy: 2.923935836184455
Energy: 2.8959936501294825
Energy: 2.910395628202044
Energy: 2.977617092933689
Energy: 2.8853260122204003
Energy: 2.2182430378098092
Energy: 2.9288994568419984
Energy: 2.579538764604282
Energy: 2.902275615353043
Energy: 2.9530395457434673
Energy: 2.2238469543772754
Energy: 2.226052865969837
Energy: 2.9174584075336836
Energy: 2.218574825155323
Energy: 2.9069353505275837
Energy: 3.0560143340793213
Energy: 2.221696178635052
Energy: 2.2185056851978193
Energy: 2.9123243305072757
Energy: 2.2270145986349896
Energy: 2.2226876323045994
Energy: 2.952785202200416
Energy: 2.225072259674089
Energy: 2.219021366327303
Energy: 2.9220195455949383
Energy: 2.226719032555612
Energy: 2.5827833810564917
Energy: 2.986010506287733
Energy: 2.1803700758568225
Energy: 2.89879755330719
Energy: 2.952194540882949
Energy: 2.21961497384465
Energy: 2.562206058630255
Energy: 3.113264774645438
Energy: 2.896088904931041
Energy: 2.904473723912295
Energy: 2.8873134012798976
Energy: 2.9053955275828827
Energy: 2.7973448311280964
Energy: 2.933792738609205
Energy: 2.1995202244963323
Energy: 2.908706185266042
Energy: 2.9197644940725995
Energy: 2.8919961070102422
Energy: 2.51415465158201
Energy: 2.9605768780613637
Energy: 2.2127865420178954
Energy: 2.3822017512637803
Energy: 2.948264779916681
Energy: 2.4301739611617106
Energy: 2.7286917424579404
Energy: 3.0260025380729494
Energy: 2.4237983599318107
Energy: 2.428978486388765
Energy: 2.362694790071897
Energy: 2.4344734137009367
Energy: 2.4243052396124756
Energy: 3.0260247257114288
Energy: 2.418887665277386
Energy: 2.417357848899832
Energy: 2.9307473756502804
Energy: 2.4247847717017943
Energy: 2.2595436521932677
Energy: 2.98400987767127
Energy: 2.7391206983369507
Energy: 2.4263796063647263
Energy: 2.9209084367840665
Energy: 2.4086925471662615
Energy: 2.7468964088931904
Energy: 2.986448341652286
Energy: 2.7363772874467034
Energy: 2.7271461244342845
Energy: 3.1127924972621974
Energy: 2.7432016262605603
Energy: 2.728114981993694
Energy: 2.985305343954432
Energy: 2.7315062671314623
Energy: 2.397090086960687
Energy: 2.9524124969413426
Energy: 2.7533781484001056
Energy: 2.7354973580756567
Energy: 2.9545297761895957
Energy: 2.5976769880867008
Energy: 2.1508166221632616
Energy: 2.9202272487973864
Energy: 2.213223535393132
Energy: 2.8416213985512337
Energy: 3.011615202494122
Energy: 2.730817559617837
Energy: 2.412858224732592
Energy: 2.9323625741716395
Energy: 2.7380244914647864
Energy: 2.7312772707060193
Energy: 2.9873538467929603
Energy: 2.739484840148761
Energy: 2.6246721180977146
Energy: 3.269559516431469
Energy: 2.7432604212581264
Energy: 2.737257694489384
Energy: 2.95293865256025
Energy: 2.730119477953331
Energy: 2.415226351112922
Energy: 2.921599293382132
Energy: 2.420231949302564
Energy: 2.7356422524885695
Energy: 3.118190275727067
Energy: 2.4150201058938747
Energy: 2.417377520158045
Energy: 2.928844489839287
Energy: 2.4120656211943454
Energy: 2.4119091962857198
Energy: 3.1088616360657895
Energy: 2.4227855365335436
Energy: 2.422456257615299
Energy: 2.3862680000497405
Energy: 2.4364337442439803
Energy: 2.424505925155046
Energy: 2.9857892078005674
Energy: 2.228644283736702
Energy: 2.407007652418499
Energy: 2.942475345468207
Energy: 2.4143241790795127
Energy: 2.7235876308484266
Energy: 2.929028344373282
Energy: 2.2135505415028547
Energy: 2.9411808934265147
Energy: 2.919725987121117
Energy: 2.892027101847081
Energy: 2.2551190157353016

minimum gb energy = 2.1508166221632616 eV
minimum distance =  2.50115581351369 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 5.5292515548022
Energy: 2.5416526662294454
Energy: 2.5349422836820303
Energy: 2.655331986835322
Energy: 2.536387847067218
Energy: 2.4418764895990903
Energy: 2.6827693707013167
Energy: 2.4193121519164924
Energy: 2.5282723975849937
Energy: 2.6413181407693656
Energy: 2.346182070536467
Energy: 2.3402968431881424
Energy: 2.7185552032201428
Energy: 2.3883475859688397
Energy: 2.3945218221426687
Energy: 2.6247370893407793
Energy: 2.387651430017389
Energy: 2.511529809669635
Energy: 2.668744526722019
Energy: 2.4079082748822835
Energy: 2.3917729746305283
Energy: 2.6203996776757714
Energy: 2.3870593169918553
Energy: 2.4278041941431674
Energy: 2.667350948242484
Energy: 2.411761292358156
Energy: 2.339294546335187
Energy: 2.6407206618809473
Energy: 2.4060185377690266
Energy: 2.504758439916376
Energy: 2.7197240702311416
Energy: 2.5280866101655017
Energy: 2.4124276440407963
Energy: 2.612881394420525
Energy: 2.3495110879106216
Energy: 2.5361668708488083
Energy: 2.675954434466665
Energy: 2.539256900764283
Energy: 2.5272853504169235
Energy: 2.764386811958764
Energy: 2.5428904511506683
Energy: 2.5315668192314993
Energy: 2.6807540775933347
Energy: 2.5242973344943485
Energy: 2.4188222024859636
Energy: 2.5209899598039778
Energy: 2.3492833489691782
Energy: 2.5175534393608006
Energy: 2.679783504600472
Energy: 2.3078225261369605
Energy: 2.338791176002215
Energy: 2.6390163701669858
Energy: 2.3365215672428254
Energy: 2.628360680192475
Energy: 2.6800266907644046
Energy: 2.521787063050994
Energy: 2.4611962310078996
Energy: 2.6679559514830893
Energy: 2.5147980508327796
Energy: 2.5105069981521524
Energy: 2.6803833696860933
Energy: 2.5236428244809668
Energy: 2.4192604476748776
Energy: 2.6654804714644316
Energy: 2.3568677933640325
Energy: 2.6391777821645745
Energy: 2.6824333861004552
Energy: 2.3385871780668883
Energy: 2.3585363384523217
Energy: 2.6358700748683157
Energy: 2.4128855113058036
Energy: 2.303896287300351
Energy: 2.6811141122575592
Energy: 2.409772236463766
Energy: 2.39455863862247
Energy: 2.528535000766183
Energy: 2.4109926448403933
Energy: 2.4103552756683433
Energy: 2.680812963648736
Energy: 2.4100420619684892
Energy: 2.4085615481555864
Energy: 2.6676418621754174
Energy: 2.408105685014961
Energy: 2.322802202673442
Energy: 2.717005956748292
Energy: 2.4113939044661374
Energy: 2.5192625076574804
Energy: 2.6473674795263613
Energy: 2.298007348448507
Energy: 2.348653723271565
Energy: 2.660614865431309
Energy: 2.52026606373696
Energy: 2.521946302861288
Energy: 2.647449003868617
Energy: 2.5223381437542987
Energy: 2.5240395543208924
Energy: 2.6607217330714237
Energy: 2.32311410032367
Energy: 2.5265417382616024
Energy: 2.6223739258122216
Energy: 2.5370037086371617
Energy: 2.4181781028437164
Energy: 2.719642245557789
Energy: 2.410949473501622
Energy: 2.5090884286036887
Energy: 2.634219812134472
Energy: 2.336025102645071
Energy: 2.3424203635913283
Energy: 2.6674428979725517
Energy: 2.353765811318071
Energy: 2.5368198917204547
Energy: 2.640320970028274
Energy: 2.533730535546217
Energy: 2.34099722709717

minimum gb energy = 2.298007348448507 eV
minimum distance =  2.51160889914399 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.279972696071473
Energy: 2.3004374439469686
Energy: 2.282922235332113
Energy: 2.283994376416215
Energy: 2.2956182167617785
Energy: 2.2970729815808677
Energy: 2.3011814728896853
Energy: 2.401111785193615
Energy: 2.3154102406587866
Energy: 2.30834396044922
Energy: 2.270867401521642
Energy: 2.4110900136575752
Energy: 2.291803559830195
Energy: 2.412473924035073
Energy: 2.2551289327261173
Energy: 2.295880983482
Energy: 2.3650479031034224
Energy: 2.3781717330513077
Energy: 2.3049475298762085
Energy: 2.3539448986356124
Energy: 2.247364154927845
Energy: 2.295049895270627
Energy: 2.365233116398747
Energy: 2.311217927243877
Energy: 2.304465034047899
Energy: 2.3528484313659175
Energy: 2.255404767596291
Energy: 2.3072608239197385
Energy: 2.3694283985945805
Energy: 2.319040248706676
Energy: 2.291645236626238
Energy: 2.3974575082627685
Energy: 2.3613491649757608
Energy: 2.318358450292102
Energy: 2.323730605335711
Energy: 2.2617832417659316
Energy: 2.291334436179039
Energy: 2.3440828663223856
Energy: 2.349659978195643
Energy: 2.2902915728215265
Energy: 2.3491027544357492
Energy: 2.290314662146987
Energy: 2.2915734837279733
Energy: 2.3784505559217535
Energy: 2.28680107873978
Energy: 2.2628737217353487
Energy: 2.3668791341107536
Energy: 2.4069566453162943
Energy: 2.3385137788244563
Energy: 2.2900487464683623
Energy: 2.4102827838533245
Energy: 2.264262442366065
Energy: 2.350226648171707
Energy: 2.2856389889590005
Energy: 2.2903746714726845
Energy: 2.2889392397112704
Energy: 2.2939697044942364
Energy: 2.4559257207697507
Energy: 2.2909811867363827
Energy: 2.2932306972615453
Energy: 2.293324343940514
Energy: 2.2912444428744805
Energy: 2.3241907190157165
Energy: 2.298151318652205
Energy: 2.317554104274881
Energy: 2.287587790969215
Energy: 2.289680700306012
Energy: 2.2893694042083252
Energy: 2.408270779752333
Energy: 2.3230099279086844
Energy: 2.2605711671967614
Energy: 2.285470073759501
Energy: 2.2920341445759913
Energy: 2.304768997331363
Energy: 2.3602905114369372
Energy: 2.2896813804735037
Energy: 2.299650265058875
Energy: 2.2792090389963464
Energy: 2.2897067039011065
Energy: 2.2938512643550504
Energy: 2.3057761829089345
Energy: 2.2923243339908783
Energy: 2.2917246341617816
Energy: 2.281684884215332
Energy: 2.32847122851365
Energy: 2.2869919211245366
Energy: 2.4104640692591603
Energy: 2.275271771807541
Energy: 2.356081405528002
Energy: 2.2794053840326995
Energy: 2.293202971896106
Energy: 2.3674996071665397
Energy: 2.3667921803185377
Energy: 2.3033699768362297
Energy: 2.354922355452131
Energy: 2.2467408446106676
Energy: 2.2942531227357024
Energy: 2.3499158370146036
Energy: 2.4416488694697773
Energy: 2.2889636579624337
Energy: 2.3492646125984886
Energy: 2.2872144890428445
Energy: 2.338516659739449
Energy: 2.374592858164836
Energy: 2.3505958391313877
Energy: 2.2994538143439076
Energy: 2.352389171029882
Energy: 2.28985175003911
Energy: 2.317036630773822
Energy: 2.3270249371914806
Energy: 2.3499885129535327
Energy: 2.3056076049479723
Energy: 2.3894873802404355
Energy: 2.356426114795153
Energy: 2.29987334066363
Energy: 2.350037252535356
Energy: 2.265647443040434
Energy: 2.2787912395364005
Energy: 2.3645982889873123
Energy: 2.351475235169316
Energy: 2.29872045881298
Energy: 2.352975469849911
Energy: 2.404029918507859
Energy: 2.2867674284394233
Energy: 2.3715820837361306
Energy: 2.355059244867119
Energy: 2.3008258511826147
Energy: 2.353776836764856
Energy: 2.2882204259642775
Energy: 2.2955338656961546
Energy: 2.2958423277687743
Energy: 2.414042630148825
Energy: 2.2935315628537554
Energy: 2.2927156448925112
Energy: 2.2888840120567635
Energy: 2.274876047500011
Energy: 2.29158877652701
Energy: 2.4426567291063175
Energy: 2.301397524402274
Energy: 2.2617966894392203
Energy: 2.29000468306077
Energy: 2.2754011584797937
Energy: 2.3113181261692146
Energy: 2.4109261578888104
Energy: 2.3523538557336248
Energy: 2.3267453867140113
Energy: 2.283305738762105
Energy: 2.2817878928541884
Energy: 2.2644458690458635
Energy: 2.411829629489065
Energy: 2.288796732309783
Energy: 2.2950899114224876
Energy: 2.2810263818383416
Energy: 2.2769496150378763
Energy: 2.292778419484086
Energy: 2.4076990078872225

minimum gb energy = 2.2467408446106676 eV
minimum distance =  2.46948797384695 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.0144565747983814
Energy: 1.9984366868997248
Energy: 1.9434689369672913
Energy: 1.9448239997718209
Energy: 1.997794750795626
Energy: 2.28990879841189
Energy: 1.9453273337429047
Energy: 2.0885983041670664
Energy: 1.9443447718990277
Energy: 2.000732778252843
Energy: 1.9470987425148687
Energy: 2.125140588017272
Energy: 1.9451031558317773
Energy: 2.099809519923361
Energy: 1.9444244814938942
Energy: 2.008213103760816
Energy: 1.9440609578297003
Energy: 2.193640507565982
Energy: 1.9523445363704335
Energy: 2.077278555050652
Energy: 1.9438202331742815
Energy: 1.9459324217089136
Energy: 2.138555771783226
Energy: 2.2559972256135583
Energy: 1.9521662652208276
Energy: 2.087601633329348
Energy: 1.9451903826519714
Energy: 1.943250373462836
Energy: 1.9442624664735346
Energy: 2.2559504774945682
Energy: 2.087904716881802
Energy: 2.1624304530649234
Energy: 2.1619426900610956
Energy: 1.9732487167479709
Energy: 2.0926984599900718
Energy: 2.2081322032338884
Energy: 1.9458629078848917
Energy: 2.0919069861462503
Energy: 2.222935479481395
Energy: 2.095505468093262
Energy: 2.220420780083315
Energy: 2.1537618670408425
Energy: 1.9510486368919973
Energy: 2.223494781149036
Energy: 2.0940892881739863
Energy: 2.1015120857629666
Energy: 2.196248320263787
Energy: 2.268805864524052
Energy: 1.9461428470164703
Energy: 2.100143974763879
Energy: 2.1851094317396975
Energy: 2.0393523243450833
Energy: 2.1981343153573385
Energy: 2.088090200470898
Energy: 1.9436778453622938
Energy: 1.9897097075764958
Energy: 1.9427477610239379
Energy: 1.9836263843615831
Energy: 1.944044149378036
Energy: 1.9434591938719779
Energy: 1.9473281445913666
Energy: 1.9416851380029958
Energy: 2.1936938272736457
Energy: 1.956045129333453
Energy: 2.0808035221666157
Energy: 1.9437491436875503
Energy: 2.0265336891959294
Energy: 1.9429637855787862
Energy: 2.1842359082252134
Energy: 2.163575766430253
Energy: 1.9424107784438789
Energy: 1.9916587335722185
Energy: 1.9405582835464228
Energy: 1.9456696875037365
Energy: 1.9432219617748927
Energy: 2.282647331426353
Energy: 1.9456057005599239
Energy: 1.9479769029457972
Energy: 1.9462368514999315
Energy: 1.9960437569515475
Energy: 1.9550772437111454
Energy: 2.299123417010878
Energy: 1.9873574734505364
Energy: 1.9433933954032825
Energy: 1.9430885625103742
Energy: 1.9462998385143242
Energy: 2.097387258105569
Energy: 2.198583927168065
Energy: 1.9754361784394414
Energy: 1.9426531155611817
Energy: 1.9452306583867494
Energy: 1.9415054289886569
Energy: 2.0911145625442824
Energy: 2.1963632796725685
Energy: 1.941433894109771
Energy: 1.9418733865090771
Energy: 1.9460728058410663
Energy: 1.942772871638189
Energy: 1.9468555991761378
Energy: 2.3269610590747574
Energy: 1.9826147810365338
Energy: 1.9430542590027806
Energy: 1.9414194740437738
Energy: 1.9464460945621118
Energy: 2.087061415839241
Energy: 1.9448541006374696
Energy: 1.9474556974326453
Energy: 1.941268639430976
Energy: 2.024752369364236
Energy: 1.982297460649916
Energy: 2.181413850712344
Energy: 2.09898936854014
Energy: 1.943944051257267
Energy: 1.9454611484314726
Energy: 2.0240303553113224
Energy: 1.9452227992249866
Energy: 2.098352706774772
Energy: 2.269594985802002
Energy: 2.0885218473973737
Energy: 1.945264148189183
Energy: 1.9435109763150331
Energy: 2.1340567291873014
Energy: 2.2709747031194807
Energy: 2.260608324010753
Energy: 2.139534789171567
Energy: 1.944893133915413
Energy: 1.9459295992004246
Energy: 2.102740214780617
Energy: 2.191485319591739
Energy: 2.0260212225020813
Energy: 2.1902347002159774
Energy: 2.0964699341325406
Energy: 2.080559486322524
Energy: 2.2239232701222664
Energy: 2.095856583715936
Energy: 2.09682086710484
Energy: 2.195305742121434
Energy: 2.2223513552530894
Energy: 2.0869489298377
Energy: 2.0904503633808633
Energy: 2.2246955978828686
Energy: 1.9475652413036246
Energy: 2.2192458101458756
Energy: 2.1558229678703187
Energy: 2.084922254330212
Energy: 2.1487510622362582
Energy: 2.1541921720724875
Energy: 1.9430031156938214
Energy: 2.0939287835590363
Energy: 2.2083210959974955
Energy: 1.9833552486927086
Energy: 2.082078092274269
Energy: 1.9438889017754633
Energy: 1.9432162468259297
Energy: 1.943809494788198
Energy: 2.1701616399632644
Energy: 1.976406019452185
Energy: 1.9450956367125747
Energy: 1.9428945431481057
Energy: 1.9453021754355069
Energy: 1.942727039565226
Energy: 2.087948619666389
Energy: 1.9457326372962642
Energy: 2.0946023706214456
Energy: 1.9424548041846026
Energy: 1.9454989375788587
Energy: 1.9438126731957939
Energy: 2.1915215647711883
Energy: 1.9449182440286803
Energy: 1.9444652490347678
Energy: 1.9486952175528445
Energy: 1.9992819302619258
Energy: 1.9487938216921241
Energy: 2.0856522062377887
Energy: 1.9568337313851516
Energy: 1.9982664339756717
Energy: 1.9969714233495808
Energy: 1.9450201312844568
Energy: 1.9973308321841283
Energy: 1.9545916334601734
Energy: 1.9462946009670032
Energy: 1.977734696830333
Energy: 1.9881870295200275
Energy: 1.9434673489302479
Energy: 2.0596456319850183
Energy: 2.1125849376728634
Energy: 1.9111801628236715
Energy: 1.9427655383425049
Energy: 1.940845193075563
Energy: 1.9451754171080704
Energy: 1.943600056625776
Energy: 2.1545842021208723
Energy: 1.9600201669693662
Energy: 1.944985040973259
Energy: 1.941581462357318
Energy: 1.9452429926760924
Energy: 1.9445652094514163
Energy: 1.949874255532104

minimum gb energy = 1.9111801628236715 eV
minimum distance =  2.51808741035356 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.616688276594492
Energy: 1.5432601876074066
Energy: 1.4282091443567206
Energy: 1.4323041842006774
Energy: 1.5411247043941194
Energy: 1.846386295430354
Energy: 1.4240604254963636
Energy: 1.6446698829386692
Energy: 1.4068802391806743
Energy: 1.561664784784037
Energy: 1.4121923360162933
Energy: 1.6419289209065207
Energy: 1.7524340843894997
Energy: 1.641163752387785
Energy: 1.4184015722461372
Energy: 1.428032314814334
Energy: 1.4114201615529085
Energy: 1.829838296521915
Energy: 1.4964237327348449
Energy: 1.6493477362346523
Energy: 1.4180754291242932
Energy: 1.4250269355621572
Energy: 1.426249951475028
Energy: 1.8496980994386145
Energy: 1.4984779033987705
Energy: 1.6436679252201598
Energy: 1.4184414307846995
Energy: 1.4118457978677277
Energy: 1.4189138024985217
Energy: 1.8614737973939013
Energy: 1.4262362702915654
Energy: 1.8407660381954023
Energy: 1.7615315052128389
Energy: 1.669731932220219
Energy: 1.6338747112174783
Energy: 1.865271686695966
Energy: 1.4363112008585075
Energy: 1.8482045177364081
Energy: 1.8438992968933479
Energy: 1.6644719963434373
Energy: 1.8473587414232777
Energy: 1.8449026123277252
Energy: 1.4911230747490691
Energy: 1.831452332397676
Energy: 1.6354260259008413
Energy: 1.6609273406839316
Energy: 1.8338965124289959
Energy: 1.8468784048640658
Energy: 1.4304532006287334
Energy: 1.844742227222719
Energy: 1.844411022906014
Energy: 1.6373281842885614
Energy: 1.8592365079413937
Energy: 1.844735160870733
Energy: 1.6216939698747037
Energy: 1.8552329395040534
Energy: 1.8355514463306382
Energy: 1.8521447958130264
Energy: 1.844889168777811
Energy: 1.8523254477935256
Energy: 1.4341833468996827
Energy: 1.8770024114959247
Energy: 1.8500991553428001
Energy: 1.849058120193849
Energy: 1.8538240996924138
Energy: 1.8553021432006545
Energy: 1.4454120250251985
Energy: 1.8533538361056463
Energy: 1.854899847207607
Energy: 1.6730578844998079
Energy: 1.884461647188487
Energy: 1.849019775402994
Energy: 1.41216569553607
Energy: 1.8900508441663433
Energy: 1.8491544252966414
Energy: 1.8455039659952157
Energy: 1.8525859712824895
Energy: 1.6351820324225352
Energy: 1.4059802513267259
Energy: 1.7569082470926893
Energy: 1.8335187995394089
Energy: 1.866985305343733
Energy: 1.8326896259403238
Energy: 1.640482980556637
Energy: 2.2534936480693943
Energy: 1.8354169312121251
Energy: 1.8438768645591643
Energy: 1.8642920891871817
Energy: 1.8490744315849104
Energy: 1.887210036260174
Energy: 1.4081854647359178
Energy: 1.6333995320881314
Energy: 1.8286719186921527
Energy: 1.8527180745367313
Energy: 1.637200552475095
Energy: 1.6326729018673674
Energy: 1.4026843105400864
Energy: 1.4215010825303158
Energy: 1.8986361857061422
Energy: 1.872089844636708
Energy: 1.7398882773560358
Energy: 1.4167760283153112
Energy: 1.4240648555893336
Energy: 1.410554936592102
Energy: 1.6359179392875616
Energy: 1.8562910358417348
Energy: 1.6389651254465527
Energy: 1.4184382451364317
Energy: 1.4306369410156536
Energy: 1.416214764768019
Energy: 1.8356021233433746
Energy: 1.8664100260727623
Energy: 1.6409367187401735
Energy: 1.4102779393885831
Energy: 1.4016950329324176
Energy: 1.4104993307841107
Energy: 1.4244264865603715
Energy: 1.856703125786779
Energy: 1.4177319959072099
Energy: 1.42529381495861
Energy: 1.4326627857905248
Energy: 1.4186381054039578
Energy: 1.4556087235265496
Energy: 1.8868078427666712
Energy: 1.5546352986389498
Energy: 1.4250151906386186
Energy: 1.4307142437177278
Energy: 1.4112564186651528
Energy: 1.8451968913000212
Energy: 1.8494553927154764
Energy: 1.4198858761022202
Energy: 1.425353365743204
Energy: 1.4160953003184278
Energy: 1.4129258160458722
Energy: 1.6476160018531851
Energy: 1.8416596336366753
Energy: 1.4203055286418746
Energy: 1.413118068942672
Energy: 1.4321546309354778
Energy: 1.426017504498687
Energy: 1.4813868965957135
Energy: 1.8627538274389155
Energy: 1.5440235426562956
Energy: 1.4251998291451202
Energy: 1.3990653771062576
Energy: 1.530167012623443
Energy: 1.6483100224791494
Energy: 1.8629683628632805
Energy: 1.4222247564516028
Energy: 1.418652851684943
Energy: 1.4421119859076301
Energy: 1.4195012380888097
Energy: 1.8335069678357772
Energy: 1.8709964047432928
Energy: 1.6442368270089172
Energy: 1.4189933988218653
Energy: 1.4184825850471465
Energy: 1.4196797791433609
Energy: 1.6410032039134383
Energy: 1.8565878319183684
Energy: 1.6498948650328042
Energy: 1.4183890922440694
Energy: 1.4077793335085962
Energy: 1.420447776428503
Energy: 1.8430429891777218
Energy: 1.8633880362214128
Energy: 1.4155459481768728
Energy: 1.4155494889594962
Energy: 1.4204338839693402
Energy: 1.632500932941629
Energy: 1.8427439496909062
Energy: 1.8576818256542944
Energy: 1.6389396100868723
Energy: 1.6444558886315896
Energy: 1.5094363372298054
Energy: 1.8422407896323634
Energy: 1.8439547909187068
Energy: 1.8446141023647002
Energy: 1.8482463983899797
Energy: 1.8500854477598283
Energy: 1.4945894022655761
Energy: 1.6389876918967274
Energy: 1.8466695163140738
Energy: 1.8833054222126642
Energy: 1.8313766090240762
Energy: 1.6344496840244929
Energy: 1.416692532362484
Energy: 1.8414080985689678
Energy: 1.8465461614734533
Energy: 1.859370835566599
Energy: 1.8488973005143725
Energy: 1.885664763974109
Energy: 1.424635987019048
Energy: 1.8509334729012221
Energy: 1.8515265774154521
Energy: 1.848450658150601
Energy: 1.8448605448161641
Energy: 1.8519287050945263
Energy: 1.420302801562873
Energy: 1.8492708757481437
Energy: 1.8538639377576307
Energy: 1.8498734017091696
Energy: 1.845427441240753
Energy: 1.8504543292087872
Energy: 1.6221844794952016
Energy: 1.8502611825626134
Energy: 1.8521187892598443
Energy: 1.8497171963654733
Energy: 1.8455334597050002
Energy: 1.8463330531776712
Energy: 1.4356756223701759
Energy: 1.8474764005070832
Energy: 1.8416012390736016
Energy: 1.8301169537414643
Energy: 1.8519612115277557
Energy: 1.846442069907269
Energy: 1.6606352719603148
Energy: 1.8298116890541616
Energy: 1.6387155223013048
Energy: 1.4139231797687217
Energy: 1.834600252109323
Energy: 1.8550516227738307
Energy: 1.4322951183191228
Energy: 1.846337791513767
Energy: 1.8431713752198666
Energy: 1.685975849420848
Energy: 1.8468902790183235
Energy: 1.8439018791148685
Energy: 1.7551549872607255
Energy: 1.638642738904255
Energy: 1.6380304209156507
Energy: 1.4138085625998271
Energy: 1.6335490390207625
Energy: 1.840648239479025
Energy: 1.4732766685717518
Energy: 1.4129214388682554
Energy: 1.4209998555812309
Energy: 1.4095813240361128
Energy: 1.4206971108307584
Energy: 1.857464654000639
Energy: 1.479257067614478
Energy: 1.6431843871471672
Energy: 1.4184803400532642
Energy: 1.4360460916775575
Energy: 1.4190089131488104
Energy: 1.6479213493965728
Energy: 1.751857368423068
Energy: 1.6409917467676973
Energy: 1.5439783811954748
Energy: 1.438260931224974
Energy: 1.4186606075588637
Energy: 1.6368184940417678
Energy: 1.810743141366198
Energy: 1.417697941067679
Energy: 1.4159527252598145
Energy: 1.409269441104336
Energy: 1.534135871824333
Energy: 1.8294017374774938
Energy: 1.5448439424782785
Energy: 1.548930025803107
Energy: 1.4259580529952078
Energy: 1.4319366256917117
Energy: 1.5438008362064886
Energy: 1.8814903772640401
Energy: 1.7630546634373172
Energy: 1.416908388902454
Energy: 1.4074800422169
Energy: 1.4181705893185532
Energy: 1.410168971297226
Energy: 1.8335390732136476
Energy: 1.7537802692629743
Energy: 1.654180819555497
Energy: 1.4194768201487662
Energy: 1.4293903820120195
Energy: 1.4193283645448824
Energy: 1.8281649880357282
Energy: 1.483176505940224
Energy: 1.4215642958818928
Energy: 1.4251917808666985
Energy: 1.4299339049359936
Energy: 1.4225623841671107
Energy: 1.8629352236285752

minimum gb energy = 1.3990653771062576 eV
minimum distance =  2.53143879191087 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.33373115536717585
Energy: -2.062818575889953
Energy: -2.323822322798228
Energy: -2.2689338422983933
Energy: -2.3183981271789547
Energy: 0.3321899598950696
Energy: -2.3431844723701287
Energy: -2.3174695860257897
Energy: -2.297293411738811
Energy: -2.352332240035712
Energy: -2.3102052305950185
Energy: -2.35217973705936
Energy: -2.3218632625698112
Energy: -2.344118723122091
Energy: -2.376530566522284
Energy: -2.276573773034047
Energy: -2.339752451027958
Energy: -2.3408027165444567
Energy: -3.5537208695460967
Energy: -2.3513601321898894
Energy: -2.302459778640144
Energy: -2.3284253344650834
Energy: -2.3508239042239345
Energy: -3.530073328288858
Energy: -3.5219699297597065
Energy: -2.3446662515534524
Energy: -2.3354577439576127
Energy: -2.275911030314398
Energy: -2.362815294953257
Energy: -3.536237027261049
Energy: -2.39157822360379
Energy: -2.3357197539560457
Energy: -2.3255706310993958
Energy: -2.255059176374842
Energy: -2.3334176606954706
Energy: -2.345669234624905
Energy: -1.842515838625388
Energy: -2.3252399115155957
Energy: -2.373082182479374
Energy: -2.267813313050334
Energy: -2.326526668725884
Energy: -2.3587716738522806

minimum gb energy = -3.5537208695460967 eV
minimum distance =  2.5967922618273 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 1.637093526473964
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Energy: 1.7014470984632117
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Energy: 1.8072961782337684
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Energy: 1.8043846646591042
Energy: 1.8238746343721628
Energy: 1.4111446616116086
Energy: 1.815468060223189
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Energy: 1.808761495771071
Energy: 1.8147627990336799
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Energy: 1.829285486558829
Energy: 1.8370069106929854
Energy: 1.6356769204925312
Energy: 1.8295080467564244
Energy: 1.8210707196721494
Energy: 1.4061050128709958
Energy: 1.8257513652293273
Energy: 1.8321913843882092
Energy: 1.412565590974306
Energy: 1.8266302837162953
Energy: 1.837010868267417
Energy: 1.4070898875268298
Energy: 1.826761161766949
Energy: 1.6487805130744309
Energy: 1.413857011926147
Energy: 1.6469817273902594
Energy: 1.808617849040163
Energy: 1.4076444343532493
Energy: 1.8459688137104573
Energy: 1.6333338543870473
Energy: 1.4105244231179774
Energy: 1.6330091028502576
Energy: 1.8335570652850581
Energy: 1.4013371079168968
Energy: 1.8435267528743495
Energy: 1.6330659116947503
Energy: 1.4104670739775425
Energy: 1.6335710069229508
Energy: 1.8433693301784293

minimum gb energy = 1.3950508468089027 eV
minimum distance =  2.53216688414469 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.1973411252706515
Energy: -1.608746161949245
Energy: -1.623056799063038
Energy: -1.6286548208139724
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Energy: 2.2123321608554
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Energy: 2.187681135093244
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Energy: 2.2162554348598427
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Energy: -1.2623265074934842
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Energy: -1.2414713871714684
Energy: 2.2358867280066335
Energy: -1.6305698564323352
Energy: -1.5763377226241344
Energy: -1.6468623053722466
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Energy: -1.1381509518433435
Energy: 0.10121652067994512
Energy: -1.6538565522427393
Energy: -2.381562430332248
Energy: -1.6007624522384591
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Energy: -1.5942513051457232
Energy: -1.5841403203943714
Energy: -2.379698259768389
Energy: -1.28723435401617
Energy: 2.2495502551820996

minimum gb energy = -2.4129596040802554 eV
minimum distance =  2.55261945754726 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

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Energy: 1.8281823868442788
Energy: 1.8075129376641508
Energy: 1.8047441310252739
Energy: 2.1547019224095165
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Energy: 1.7977383752589084
Energy: 2.154269015762167
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Energy: 1.780148016633631
Energy: 2.4305181660998896
Energy: 2.4357746090568937
Energy: 1.79599563814335
Energy: 2.4889182704001787
Energy: 2.4344488175018815
Energy: 1.8067741142250224
Energy: 2.399546940606263
Energy: 2.4012113673804123
Energy: 1.8132844742590124
Energy: 2.409377863074228
Energy: 2.431417136014497
Energy: 1.7942749793757813
Energy: 2.4358900955933764
Energy: 2.4549717278773473
Energy: 1.8184386636388645
Energy: 2.4588175672799664
Energy: 2.434652654500535
Energy: 1.8037399755212513
Energy: 2.393632019259086
Energy: 2.4442618041609045
Energy: 1.7947502857826494
Energy: 2.441305354502602
Energy: 2.416179063755312
Energy: 1.8004594236550517
Energy: 2.447842332225439
Energy: 2.4646122437582703
Energy: 1.8001097789023701
Energy: 2.4814371680966847
Energy: 2.378553701274676
Energy: 1.7942573968757
Energy: 2.165769481389549
Energy: 2.4826475524539404
Energy: 2.4757898378899146
Energy: 2.469287440235483
Energy: 2.136203560920598
Energy: 1.8030556205122168
Energy: 2.1613602785734476
Energy: 2.4094030099400903
Energy: 2.1643146167838156
Energy: 2.4061017063260475
Energy: 2.1592063907030012
Energy: 1.8140137616192038
Energy: 2.162986412718058
Energy: 2.3684175086579486
Energy: 2.146892881670842
Energy: 1.8268671749049425
Energy: 1.832823790072012
Energy: 1.801955945239628
Energy: 2.1521794018106286
Energy: 2.4752529528906555
Energy: 2.508013472204268
Energy: 2.164409440853879
Energy: 1.803630802478773
Energy: 1.7940775286336808
Energy: 1.8019625792560034
Energy: 2.3997295010443485
Energy: 2.5114463113449035
Energy: 2.160031310965988
Energy: 1.80113634413289
Energy: 1.8014066769720904
Energy: 1.7981219588431727
Energy: 2.421525464153865
Energy: 2.426426447975989
Energy: 1.817959845148111
Energy: 1.7988744168316175
Energy: 1.798653665401971
Energy: 1.8042285413264063
Energy: 2.159359717213708
Energy: 1.7749831949022723
Energy: 2.1610432760042495
Energy: 1.8036428530579276
Energy: 1.803743386787201
Energy: 2.1615181290884093
Energy: 2.156703273465887
Energy: 1.7748196717300855
Energy: 2.1616236903565804
Energy: 1.8293668707488229
Energy: 1.8153230691592281
Energy: 2.1616613496579125
Energy: 2.4168361882303357
Energy: 2.1573247680640226
Energy: 2.1589081334611007
Energy: 2.1615689010085277
Energy: 1.7973593343989385
Energy: 2.1635778837089648
Energy: 2.4394427874516595
Energy: 2.1450236476856896
Energy: 2.4043108301737384
Energy: 2.161616421215504
Energy: 1.7934857059686435
Energy: 2.434028047579342
Energy: 2.4921237185794545
Energy: 1.7774456876156433
Energy: 2.473747163136776
Energy: 2.160540025499709
Energy: 1.8101778078003932
Energy: 2.3947092602887423
Energy: 2.397252945745225
Energy: 1.8145624947493004
Energy: 2.441172696676817
Energy: 2.1499995190186896
Energy: 1.7988180679440016
Energy: 2.446113903568669
Energy: 2.4439086485300225
Energy: 1.7969912126559802
Energy: 2.4403882873272704
Energy: 2.388972148822182
Energy: 1.7923717268149602
Energy: 2.457550619379903
Energy: 2.37068465360283
Energy: 2.1444915597991048
Energy: 2.445141875594594
Energy: 2.4221220178947123
Energy: 1.7780561199869072
Energy: 2.4758955336584103
Energy: 2.385091596808194
Energy: 1.8025960660150786
Energy: 2.4484589489189923
Energy: 2.468572020135483
Energy: 1.778413019015511
Energy: 2.4376969621566453
Energy: 2.156776022540946
Energy: 1.7952935740615148
Energy: 2.1606082025415105
Energy: 2.467812193948853
Energy: 1.8083550375860051
Energy: 2.399750692190496
Energy: 2.1614010981744247
Energy: 1.8029109530089285
Energy: 2.1617783356665456
Energy: 2.4012487931158506
Energy: 1.8099473800019237
Energy: 2.404292172640431
Energy: 2.1634280312414513
Energy: 1.8198576709717718
Energy: 1.8281563832715415
Energy: 2.3778987429226155
Energy: 1.7317254384689826
Energy: 2.1604520214308804
Energy: 2.159760065327404
Energy: 1.8021905736406878
Energy: 2.163222568100766
Energy: 2.5442042742899647

minimum gb energy = 1.7317254384689826 eV
minimum distance =  2.5573485905558 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 3.948189405445933
Energy: 2.0297087423309397
Energy: 2.020152437319268
Energy: 2.0155446703515603
Energy: 2.031680216245884
Energy: 1.9943848128191282
Energy: 1.9998544001119232
Energy: 2.031957730517022
Energy: 2.000333862066534
Energy: 1.9969680686540314
Energy: 2.000611341708739
Energy: 2.794660299975038
Energy: 1.9982693321509122
Energy: 2.0334476201623715
Energy: 1.998577492691103
Energy: 1.9947352742352757
Energy: 1.9983625391171687
Energy: 2.7303772044385908
Energy: 1.9723166414312483
Energy: 2.0331016764611034
Energy: 2.004729643696655
Energy: 2.0045462481635674
Energy: 2.006579778892142
Energy: 1.9666347090995198
Energy: 1.9719115462811914
Energy: 2.0336634482425158
Energy: 2.019351687479276
Energy: 2.01168131611335
Energy: 2.035122166373432
Energy: 1.9650141386312476
Energy: 1.9994865172162892
Energy: 2.035865376265207
Energy: 2.031815641684305
Energy: 2.025249569665395
Energy: 2.033104772366462
Energy: 2.778702756844208
Energy: 2.0025682118555044
Energy: 2.7885688768544297
Energy: 2.036030000161987
Energy: 2.0049619936042262
Energy: 2.033892821845302
Energy: 2.5542450926178777
Energy: 1.9736874714773909
Energy: 2.7528202747827426
Energy: 2.5607734928919226
Energy: 2.00332954069447
Energy: 2.8029133730298006
Energy: 2.03423221300125
Energy: 2.003080432347767
Energy: 2.793159582228815
Energy: 1.9928365695902905
Energy: 1.9932453638149814
Energy: 2.7630881075972837
Energy: 2.5653457282534435
Energy: 2.0049572122205928
Energy: 2.0331558933791403
Energy: 2.538062006890577
Energy: 2.00068182148575
Energy: 2.778702998649683
Energy: 2.016268022210295
Energy: 2.0175649991055113
Energy: 2.0341744711439813
Energy: 2.7835101996471754
Energy: 1.9999871051438418
Energy: 2.0336975393837684
Energy: 2.008991189174977
Energy: 2.013840464022005
Energy: 2.033954476939707
Energy: 2.031968467812424
Energy: 1.9716220294301772
Energy: 2.033036463455131
Energy: 2.011035237518289
Energy: 2.0046956650422882
Energy: 2.0065612451357264
Energy: 2.781412198410443
Energy: 1.9978592552074452
Energy: 2.0342150220293864
Energy: 2.0051989113403996
Energy: 1.9935526178203344
Energy: 1.9987629660989685
Energy: 2.801941082030523
Energy: 2.0001566700617652
Energy: 2.0047442881005235
Energy: 1.9991103350545671
Energy: 1.99512225415727
Energy: 1.9998556427270164
Energy: 2.0332492488089797
Energy: 2.0011006393748834
Energy: 2.0327008958633517
Energy: 1.999612477410504
Energy: 2.01027247291071
Energy: 2.010961487551108
Energy: 1.965370040555681
Energy: 1.9819549337367228
Energy: 2.033237622027807
Energy: 2.0084500056385974
Energy: 2.0143028133965446
Energy: 2.0355204878729354
Energy: 2.0350059674412164
Energy: 2.0032031307730276
Energy: 2.0333522453791466
Energy: 2.0117491311895046
Energy: 2.0110666214669646
Energy: 2.0349999299120873
Energy: 2.7761730935466074
Energy: 2.000436528650648
Energy: 2.0318733340324173
Energy: 2.013705413333384
Energy: 2.002404969961368
Energy: 2.0328176692414055
Energy: 2.5285416920257906
Energy: 2.0204441844045844
Energy: 2.773431882450154
Energy: 2.02464988888346
Energy: 2.0040215938819625
Energy: 2.5448956972480063
Energy: 2.0336369151406766
Energy: 2.0112036880662174
Energy: 2.7759845180722555
Energy: 2.548548685712677
Energy: 1.9892103380705595
Energy: 2.5309556752936526
Energy: 2.5595204272171714
Energy: 2.002857480337826
Energy: 2.552921171922891
Energy: 1.98924432257445
Energy: 2.000917441310157
Energy: 2.78555944658806
Energy: 2.033103928463326
Energy: 2.008355252758655
Energy: 2.034615523867728
Energy: 2.552535919779192
Energy: 1.998854287030626
Energy: 2.0370535579035036
Energy: 2.0291795273324995
Energy: 2.0144811202805593
Energy: 2.0304207045019633
Energy: 2.7845616805477102
Energy: 1.9670486063364325
Energy: 2.0337461128325707
Energy: 2.027713210941357
Energy: 2.0127575223048213
Energy: 2.0350600766011464
Energy: 2.808020994364645

minimum gb energy = 1.9650141386312476 eV
minimum distance =  2.55736235704188 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 5.385060050604968
Energy: 2.315146814482173
Energy: 2.305785937192635
Energy: 2.3010919763308
Energy: 2.3067245751226158
Energy: 3.3234718795415716
Energy: 2.2951972964725904
Energy: 2.315230901951035
Energy: 2.2856861203767616
Energy: 2.2855101337759947
Energy: 2.285704312455696
Energy: 2.3012218828917153
Energy: 2.292526202574789
Energy: 2.316028718993408
Energy: 2.2838657945752434
Energy: 2.281744122025986
Energy: 2.284473538435426
Energy: 2.2982765912032415
Energy: 2.2553563924079163
Energy: 2.316462832926257
Energy: 2.2924742775077216
Energy: 2.293329863099772
Energy: 2.294629694087072
Energy: 2.50021889818444
Energy: 2.254265324886317
Energy: 2.5051799060863336
Energy: 2.3029681655498
Energy: 2.2985270245017375
Energy: 2.313587189400977
Energy: 2.5012139918222287
Energy: 2.2941563735878603
Energy: 2.50203171147674
Energy: 2.315704539383449
Energy: 2.269402112049412
Energy: 2.3159352866288607
Energy: 2.305474460087817
Energy: 2.3005828482729416
Energy: 2.316994822828959
Energy: 2.3022400365950557
Energy: 2.2965513077431763
Energy: 2.498745575380065
Energy: 2.2997443353392963
Energy: 2.304585264998629
Energy: 2.313296368607847
Energy: 2.310956742670686
Energy: 2.2952366143159675
Energy: 2.3146433658198915
Energy: 2.2975199825964627
Energy: 2.3023802321388507
Energy: 2.31490106778771
Energy: 2.2755442658219263
Energy: 2.2728814264305557
Energy: 2.3157043891023266
Energy: 2.3019875002133072
Energy: 2.2873400494406395
Energy: 2.2891611264739007
Energy: 2.5042244603636696
Energy: 2.2696763940003546
Energy: 2.3072890550949716
Energy: 2.288013542677942
Energy: 2.279597439399456
Energy: 2.2831868205676464
Energy: 2.314676711817997
Energy: 2.293083970897159
Energy: 2.2895377691311714
Energy: 2.2835419159612793
Energy: 2.289703441609281
Energy: 2.289084954041124
Energy: 2.50248720364928
Energy: 2.2559795897859742
Energy: 2.3160428302085294
Energy: 2.2888808460585834
Energy: 2.3014418142937934
Energy: 2.316942694932215
Energy: 2.5033674617099324
Energy: 2.256028030330977
Energy: 2.315698000343119
Energy: 2.303052858610178
Energy: 2.2702238865923525
Energy: 2.3132881307810993
Energy: 2.504714864097441
Energy: 2.2941085276369555
Energy: 2.315122605674239
Energy: 2.2646638978588807
Energy: 2.2971663180077933
Energy: 2.3138424708129097
Energy: 2.302043587533552
Energy: 2.2984957180937053
Energy: 2.497322302045165
Energy: 2.302131824128141
Energy: 2.2941363897101192
Energy: 2.505603568991704
Energy: 2.3143611784733267
Energy: 2.298763662674458
Energy: 2.3161619882509754
Energy: 2.2936588263581337
Energy: 2.2684866374037576
Energy: 2.5065044306848057
Energy: 2.314101136226742
Energy: 2.302901997203855
Energy: 2.3163234652445075
Energy: 2.2711765957184986

minimum gb energy = 2.254265324886317 eV
minimum distance =  2.54538198363646 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 6.485616788125229
Energy: 2.092388479969274
Energy: 2.0943784426213354
Energy: 2.094154120774873
Energy: 2.0968790863035878
Energy: 2.0994328945242264
Energy: 2.2794209179405573
Energy: 2.27917254332741
Energy: 2.280738281975458
Energy: 2.2795072879080993
Energy: 2.280918890582066
Energy: 2.2633225387207276
Energy: 2.2846040392773737
Energy: 2.2888520935272054
Energy: 2.281261822901118
Energy: 2.2798355051075267
Energy: 2.2805853593003973
Energy: 2.092281787531741
Energy: 2.744275039565588
Energy: 2.249482812873935
Energy: 2.2839576188446378
Energy: 2.2869947785773856
Energy: 2.285251511206555
Energy: 2.2887660369579694
Energy: 2.2924599210186978
Energy: 2.289815510977515
Energy: 2.290824570627974
Energy: 2.2920433969571885
Energy: 2.289672052147033
Energy: 2.2897155174963224
Energy: 2.2839275359359363
Energy: 2.2850929913477374
Energy: 2.0850788220851157
Energy: 2.0857811823842405
Energy: 2.250364607126204
Energy: 2.2843573472309866
Energy: 2.2794726730693635
Energy: 2.2818919654378047
Energy: 2.2923183190450995
Energy: 2.2874711746556824
Energy: 2.284017650856264
Energy: 2.281095314221346
Energy: 2.278130799439296
Energy: 2.2804410131889328
Energy: 2.2797928233037115
Energy: 2.282259553137468
Energy: 2.279454256289762
Energy: 2.2800410939385687
Energy: 2.285083309639892
Energy: 2.2822402971126037
Energy: 2.4349804871476355
Energy: 2.873516854775834
Energy: 2.2844981250979997
Energy: 2.282018634857532
Energy: 2.9512863654549566
Energy: 2.2816062104625505
Energy: 2.2813227006555272
Energy: 2.4705387455997014
Energy: 2.2813857697643907
Energy: 2.281151352173021
Energy: 2.3879412157067623
Energy: 2.2811747093984085
Energy: 2.0935273973104866
Energy: 2.2834683353863476
Energy: 2.8543588194014955
Energy: 2.280280817753181
Energy: 3.0273657216493666
Energy: 2.2826008697591758
Energy: 2.089861218661365
Energy: 2.098234999348991
Energy: 2.71655270074882
Energy: 2.2832360815806285
Energy: 2.488554016836357
Energy: 2.0908189665876353
Energy: 2.089580783955509
Energy: 2.0999199503544737
Energy: 2.089853248064659
Energy: 2.2878489339518056
Energy: 2.1066674095335616
Energy: 2.092545631334029
Energy: 2.0947457006763535
Energy: 2.099161425100751
Energy: 2.0950178663309953
Energy: 2.479767692312451
Energy: 3.031491319895667
Energy: 2.089398087743919
Energy: 2.0893344318497267
Energy: 2.090669826569131
Energy: 2.089252235091631
Energy: 2.4559104494788824
Energy: 2.4859108502228646
Energy: 2.0883480021534546
Energy: 2.0889838144488095
Energy: 2.0884939844935846
Energy: 2.0892773239529356
Energy: 2.0943889066392067
Energy: 2.293057832127597
Energy: 2.0914628796480748
Energy: 2.0900996573392328
Energy: 2.0927422201554013
Energy: 2.0904428214951944
Energy: 2.2864367210261127
Energy: 2.2930438028541134
Energy: 2.4457740693125043
Energy: 2.090996735471336
Energy: 2.4879682370670566
Energy: 2.0910645324130215
Energy: 2.2869485729258296
Energy: 2.487545676278507
Energy: 2.8549535061940112
Energy: 2.089888434171466
Energy: 2.0864555924995285
Energy: 2.089987217619587
Energy: 2.2865619595654487
Energy: 2.948747496956829
Energy: 2.2808422444656697
Energy: 2.0910136171984988
Energy: 2.639372507332927
Energy: 2.7083966055663184
Energy: 2.2813834042556076
Energy: 2.9651572391753422
Energy: 2.2792836638037515
Energy: 2.7076546816688696
Energy: 2.2840341375173723
Energy: 2.281740564649531
Energy: 2.279525092970195
Energy: 2.289148977247872
Energy: 2.282448056986953
Energy: 2.0858435791020304
Energy: 2.4838337422911154
Energy: 2.283043982665672
Energy: 2.2826787543403233
Energy: 2.2798381141048965
Energy: 2.2817509831002853
Energy: 2.2818329071720695
Energy: 3.0310266619238977
Energy: 2.283106262610531
Energy: 2.2806863288312815
Energy: 2.281938360286906
Energy: 2.282279597280545
Energy: 2.09538220866179
Energy: 2.2876549710312966
Energy: 2.2785567055848093
Energy: 2.283073467401636
Energy: 2.28138315534552
Energy: 2.282474687206998
Energy: 2.290556975535397
Energy: 2.842200234203765
Energy: 2.290741401122122
Energy: 2.2816813055818894
Energy: 2.2875757484934645
Energy: 2.249089938741559
Energy: 2.287380793760146
Energy: 2.2588634353931494
Energy: 2.250811690803849
Energy: 2.286796915512273
Energy: 2.104478504929318
Energy: 2.250050923423372
Energy: 2.2867489167092554
Energy: 2.286175951221091
Energy: 2.2491214604921934
Energy: 2.0850352786427777
Energy: 2.100977603061442
Energy: 2.249813002477935
Energy: 2.282172702933007
Energy: 2.283823591745123
Energy: 2.283549410492371
Energy: 2.287736475864009
Energy: 2.284264556243134
Energy: 2.281832415003775
Energy: 2.2786731335449897
Energy: 2.2841920658796897
Energy: 2.281154208814511
Energy: 2.0949971781936116
Energy: 2.2806209738126992
Energy: 2.2814906341364485
Energy: 2.281193857234711
Energy: 2.2831714771009546
Energy: 2.281640965372103
Energy: 2.4333457153277593
Energy: 2.27942295808704
Energy: 2.2815609320753767
Energy: 2.2823735666576033
Energy: 2.288640405373947
Energy: 2.2832906685657743
Energy: 2.432997251942091
Energy: 2.283398313422776
Energy: 2.2798653520501038
Energy: 2.279475544514509
Energy: 2.2790336342394766
Energy: 2.2803736922411293
Energy: 2.0961983536957733
Energy: 2.4913529988433005
Energy: 2.0907917702912755
Energy: 2.2823531647158006
Energy: 2.9443447175477866
Energy: 2.2813756567965444
Energy: 2.0904404631511935
Energy: 2.334329196988502
Energy: 2.0904487297128087
Energy: 2.285290592509969
Energy: 2.488631613773869
Energy: 2.714213411780279
Energy: 2.0902812472355814
Energy: 2.104641064206796
Energy: 2.0909757928680803
Energy: 2.4818557896575943
Energy: 2.0910354758725838
Energy: 2.091554328765222
Energy: 2.0949416561794716
Energy: 2.091688936863463
Energy: 2.0903521763935125
Energy: 2.445098096601219
Energy: 2.0913306405732084
Energy: 2.0903706746556012
Energy: 2.090100560941752
Energy: 2.0856572434320686
Energy: 2.0891238657496793
Energy: 2.790162044657951
Energy: 2.48817386586485
Energy: 2.088224270575809
Energy: 2.088959968619086
Energy: 2.088609717325277
Energy: 2.0895273932133933
Energy: 2.442444835727351
Energy: 3.030291920228467
Energy: 2.089147909057399
Energy: 2.0891451452375613
Energy: 2.099829335529807
Energy: 2.094555460730425
Energy: 2.286017907093108
Energy: 2.300709887748059
Energy: 2.0931128560928753
Energy: 2.094752825939912
Energy: 2.635554278314824
Energy: 2.089495655325634
Energy: 2.4442821275045437
Energy: 2.488506399424689
Energy: 2.090795258013237
Energy: 2.089662757625866
Energy: 2.4892229248970033
Energy: 2.0901495582553498
Energy: 2.2828176960782662
Energy: 2.938054092181087
Energy: 2.857639733697304
Energy: 2.0898330483265255
Energy: 2.7199030067410903
Energy: 3.1536736986668332
Energy: 2.2798738294513217
Energy: 2.280145850618715
Energy: 2.2795121401188876
Energy: 2.0948958045533006
Energy: 3.03046548436091
Energy: 2.2814588916920657
Energy: 2.2814255756893904
Energy: 2.9507587683842478
Energy: 2.2820241421682868
Energy: 2.0856214979891035

minimum gb energy = 2.0850352786427777 eV
minimum distance =  2.57130654329746 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: -0.933212772219739
Energy: -1.6585911124793533
Energy: -1.6380922196009593
Energy: -1.6439034081464012
Energy: -1.6599931177209832
Energy: -0.9243012730922916
Energy: -1.6556126661862596
Energy: -1.6454163367685068
Energy: -1.6913524402159985
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Energy: -1.6631138601848792
Energy: -1.658298999512602
Energy: -1.663045907971735
Energy: -1.6900105338113485
Energy: -1.6564352363802743
Energy: -1.6636405035359165
Energy: -1.645475516073725
Energy: -1.6595394895611
Energy: -1.6469769847877025
Energy: -1.7116743943745754
Energy: -1.668207958360888
Energy: -1.6497015924852398
Energy: -1.670482705771395
Energy: -1.706085713452967
Energy: -1.6612702371722938
Energy: -1.70686061687421
Energy: -1.7130445360153854
Energy: -2.7002832507401466
Energy: -1.7059943578321475
Energy: -1.6817723428865146
Energy: -1.6424600483243748
Energy: -1.618165700262693
Energy: -2.7058612584848807
Energy: -2.700117052483562
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Energy: -1.6194732866825932
Energy: -1.6624340207802053
Energy: -1.665004355051433
Energy: -0.572777899961479
Energy: -1.6101357465752861
Energy: -1.6451272398018364
Energy: -1.6602320189235082
Energy: -1.6653801792209348
Energy: -1.6642536694571082
Energy: -1.6446755753699533
Energy: -1.649558879608901
Energy: -1.663494691405274
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Energy: -1.67617784486042
Energy: -1.6757123019565965
Energy: -1.598661326860419
Energy: -1.6690614728643114
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Energy: -1.7120248283289563
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Energy: -1.6614617008046855
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Energy: -1.701091494688236
Energy: -1.6473743068760598
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Energy: -1.6808404855655665
Energy: -1.676153745275327
Energy: -1.665818899289607
Energy: -1.706522477364055
Energy: -1.6411941670432255
Energy: -1.7102056373501164
Energy: -1.7073815594455133
Energy: -1.636477289553743
Energy: -1.7106561432618805
Energy: -1.70628816421303
Energy: -1.6843330154684928
Energy: -1.669127639790625
Energy: -2.702426023324828
Energy: -2.706424803740711
Energy: -1.7142496468397765
Energy: -1.6442123176315429
Energy: -1.6398365280425031
Energy: -1.6699305757526177
Energy: -0.5792832607116157
Energy: -1.6364324517501865
Energy: -1.7334541551143807
Energy: -1.6502530167393303
Energy: -1.6574223721248529
Energy: -1.6619443783332681
Energy: -1.6476385691535238
Energy: -1.6713938176776233
Energy: -1.659940025148849
Energy: -1.660146954915796
Energy: -1.6585943476017013
Energy: -1.6614279407708108
Energy: -1.6573527830522434
Energy: -1.58590651509445
Energy: -1.659112778887439
Energy: -1.6626986690126893
Energy: -1.675203581466799
Energy: -1.6570023529609477
Energy: -1.6594200009894509
Energy: -1.6266314804706485
Energy: -1.6499945894706882
Energy: -1.6579573523316071
Energy: -2.3881863748418555
Energy: -1.6599835548919035
Energy: -1.6978861420061275
Energy: -1.6440911836439667
Energy: -0.3123510315644189
Energy: -1.6435843063500664
Energy: -1.6498823928556754
Energy: -1.6630211451144605
Energy: -1.6489376236459834
Energy: -0.44407843056106694
Energy: -1.6560196583114632
Energy: -1.6591478447717596
Energy: -1.6642460943656259
Energy: -1.647672646074627
Energy: -1.6589504445123584
Energy: -1.644638914692196
Energy: -1.661074383767596
Energy: -1.661846219307433
Energy: -1.939533252626855
Energy: -1.6495701697495144
Energy: -1.6607564440509877
Energy: -1.6628723470969256
Energy: -1.6597957811155848
Energy: -2.702448645185184

minimum gb energy = -2.7100342162611577 eV
minimum distance =  2.5532557709878 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 3.7241826814458787
Energy: 1.4373909698420173
Energy: 1.3688864882507952
Energy: 1.3690194349697924
Energy: 1.3691767705282023
Energy: 3.537217864086515
Energy: 2.2923825865433374
Energy: 2.4593242345609254
Energy: 2.4590501579159296
Energy: 2.4598712910903786
Energy: 2.4593930548897287
Energy: 2.464218922991247
Energy: 2.6781408403388403
Energy: 2.4582267733446312
Energy: 2.4581711555014265
Energy: 2.4590467509062
Energy: 2.4591665858955367
Energy: 2.4606160250444966
Energy: 0.3508074104453529
Energy: 2.928388293403062
Energy: 2.4630376958625773
Energy: 2.4648386356493996
Energy: 2.4628391426935536
Energy: 2.290947269480159
Energy: 2.6823200940933227
Energy: 2.9279555359355682
Energy: 2.459142096865907
Energy: 2.6239152938037837
Energy: 2.91870506041949
Energy: 2.28916764451336
Energy: 2.291131197971993
Energy: 2.2950421839638846
Energy: 3.4397603365017826
Energy: 2.286989404645639
Energy: 2.916593551031485
Energy: 2.2947025355922177
Energy: 2.289212970008861
Energy: 2.2874406453523686
Energy: 2.459350459775731
Energy: 2.4616138654226916
Energy: 2.2880563682712163
Energy: 2.2877152564280103
Energy: 2.28769615766639
Energy: 2.28696726226427
Energy: 2.4599377898274097
Energy: 2.461146550205952
Energy: 2.2873728528259685
Energy: 2.28720912729306
Energy: 2.290709695137287
Energy: 2.293962263006102
Energy: 2.915839375131015
Energy: 2.287014448477793
Energy: 2.916937284605427
Energy: 2.2935613432609507
Energy: 2.630611350641594
Energy: 2.289597883915445
Energy: 2.458860248439242
Energy: 1.1612108778200987
Energy: 2.9184253669918454
Energy: 2.289933487525971
Energy: 2.6318333962841374
Energy: 2.9327351307747564
Energy: 2.4626298900763657
Energy: 2.464555645579869
Energy: 2.4666641356900594
Energy: 2.2860420576270246
Energy: 2.676808379162446
Energy: 2.4573652990549206
Energy: 2.4585072954763314
Energy: 2.4591163710432005
Energy: 2.4582743507274674
Energy: 2.4612046076254086
Energy: 2.4606809791036683
Energy: 2.4586691239566223
Energy: 2.45847434283377
Energy: 2.4594097810433664
Energy: 2.4587339983215384
Energy: 2.4682122546261853
Energy: 2.6235296607592478
Energy: 2.4626406273044568
Energy: 2.464783361549861
Energy: 2.464697357707419
Energy: 2.4637498168165335
Energy: 2.4513738937888725
Energy: 2.4559503530563545
Energy: 2.4601104562527585
Energy: 2.45986404066371
Energy: 2.4618288504573456
Energy: 2.459840494442928
Energy: 2.462330613612013
Energy: 2.678163614867904
Energy: 2.461767448818754
Energy: 2.4594071767494126
Energy: 2.4603733346205052
Energy: 2.458884677400598
Energy: 2.462223276049824
Energy: 2.684274372632302
Energy: 2.4589272297812075
Energy: 2.4620526186169593
Energy: 2.677332614229526
Energy: 1.5018295299002016
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Energy: 2.683862723277493
Energy: 2.4599534570240715
Energy: 2.4600863854706
Energy: 1.3698763373759382
Energy: 2.4594245933929635
Energy: 2.4596450192257553
Energy: 1.369207687453663
Energy: 1.3684337290188886
Energy: 2.289940988097148
Energy: 3.525891369245623
Energy: 1.3696743964785463
Energy: 1.3702636105135115
Energy: 2.460727302348985
Energy: 2.459198034786064
Energy: 2.459182330203046
Energy: 2.2889005179096373
Energy: 2.4593948042091744
Energy: 2.4593347612117227
Energy: 2.4593403997637315
Energy: 2.4580906341797646
Energy: 2.292725508466632
Energy: 2.6772745079653317
Energy: 2.4596317928333273
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Energy: 2.465083695581992
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Energy: 2.932114275960949
Energy: 2.28829075611528
Energy: 2.9235232338234245
Energy: 2.463249802971116
Energy: 2.6242340366630454
Energy: 2.9194325339593465
Energy: 2.2893739816913263
Energy: 2.4612663282466722
Energy: 2.921262804130476
Energy: 2.458599499658515
Energy: 2.6283395045127436
Energy: 2.9158254311877787
Energy: 2.2953455235669886
Energy: 2.2917808580145516
Energy: 2.29447413664879
Energy: 2.288120417512328
Energy: 2.4610776700629517
Energy: 2.2889501802238414
Energy: 2.2873679922395747
Energy: 2.2915163126037488
Energy: 2.287321632264007
Energy: 1.1598938670771686
Energy: 2.4611208153871424
Energy: 2.2881681991234255
Energy: 2.286925496547276
Energy: 2.2902356619870274
Energy: 2.286983719004203
Energy: 1.157528138948666
Energy: 2.663373767360607
Energy: 2.9166072125828078
Energy: 2.294029063383274
Energy: 2.291223967261017
Energy: 2.2939369180617737
Energy: 2.2861355538980668
Energy: 1.161347761660392
Energy: 2.4588173144330847
Energy: 2.289693074480853
Energy: 2.680426486179744
Energy: 2.920190864318156
Energy: 2.4593092631693487
Energy: 2.464745384782757
Energy: 2.4623274703434523
Energy: 2.9326866044200504
Energy: 2.286699958231458
Energy: 2.9248502496793862
Energy: 2.46332142009363
Energy: 2.4592325773283936
Energy: 2.458593556582944
Energy: 2.2923083231653867
Energy: 2.676946366859364
Energy: 2.4634576124414886
Energy: 2.458447979243664
Energy: 2.4593078861799693
Energy: 2.458520767694824
Energy: 2.4589267805294885
Energy: 2.46133512274007
Energy: 2.4588518957782535
Energy: 2.458541458131972
Energy: 2.46485040061623
Energy: 2.465067075580985
Energy: 2.927873747816671
Energy: 2.2873330265970506
Energy: 2.4640959454257185
Energy: 2.4648737029810577
Energy: 2.6827153427911803
Energy: 2.4598715045911805
Energy: 2.460225176974968
Energy: 2.4562648983263786
Energy: 2.4600118715641295
Energy: 2.4598338487660283
Energy: 2.6757533290502535
Energy: 2.4582089448681588
Energy: 2.462581059512073
Energy: 2.678859837109829
Energy: 3.1016145269480058
Energy: 2.458550290811938
Energy: 2.677388939245305
Energy: 2.4615378696334163
Energy: 2.459370612979041
Energy: 2.4613272766590275
Energy: 2.4597961844014846
Energy: 2.462141457487145
Energy: 0.7899452536456179
Energy: 2.4597289467131773
Energy: 2.4596958127007817
Energy: 2.461809924166256
Energy: 2.459303197832969
Energy: 3.5018068363060832

minimum gb energy = 0.3508074104453529 eV
minimum distance =  2.525294644948 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 2.6229963291500225
Energy: 2.8399029738716526
Energy: 2.838594966779858
Energy: 2.8393756994187687
Energy: 2.839640804377143
Energy: 2.623607455637875
Energy: 2.6334744706275073
Energy: 2.8404475052826497
Energy: 2.6334037743350036
Energy: 2.6327200111875446
Energy: 2.63322040200191
Energy: 2.840223431465726
Energy: 2.8435702845249384
Energy: 2.840018121133516
Energy: 2.6332931738504888
Energy: 2.6326877174854757
Energy: 2.633560271180911
Energy: 2.839610017365007
Energy: 2.8387731420123816
Energy: 2.840111035999137
Energy: 2.6342321949247074
Energy: 2.6333174600442533
Energy: 2.840123764233804
Energy: 2.8404760650654635
Energy: 2.8390562071161596
Energy: 2.8458545243745994
Energy: 2.840096169102189
Energy: 2.6237277054178634
Energy: 2.8430434271438925
Energy: 2.8404929143422817
Energy: 2.6336821267392376
Energy: 2.633005491100957
Energy: 2.623502669789894
Energy: 2.6267417148614016
Energy: 2.840224820987651
Energy: 2.6339733699291856
Energy: 2.6328007182587667
Energy: 2.633332117537764
Energy: 2.8402085083459587
Energy: 2.8393902682001047
Energy: 2.8441005672615884
Energy: 2.6334102946444076
Energy: 2.6327711721718
Energy: 2.6333681576949526
Energy: 2.8404259228852267
Energy: 2.8395912071635925
Energy: 2.846172812853565
Energy: 2.6347456785851966
Energy: 2.6332282679877936
Energy: 2.633104168790259
Energy: 2.840444539358482
Energy: 2.8408088004339236
Energy: 2.8404363237022885
Energy: 2.6338075432327397
Energy: 2.6235955606776793
Energy: 2.840466721560453
Energy: 2.8405296005998966
Energy: 2.8394996171978866
Energy: 2.841893780135357
Energy: 2.8399471402425074

minimum gb energy = 2.6229963291500225 eV
minimum distance =  2.54268433106194 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 5.43524587914369
Energy: 1.3294522320883213
Energy: 0.3056354602857583
Energy: 0.3496146831661645
Energy: 0.36433125946333333
Energy: 1.692288904182406
Energy: 0.15875937258591055
Energy: 0.18159489720833866
Energy: 0.3134315479600174
Energy: 0.3976643573498091
Energy: 0.39865999081422976
Energy: 0.26893456857385534
Energy: 0.31717167391679674
Energy: 1.6542812528050603
Energy: 0.2636079965033917
Energy: 0.22618472073875204
Energy: 0.11318615008495661
Energy: 0.22806138644698645
Energy: 1.2888274555015269
Energy: 0.25831491770672094
Energy: 0.18214914665384538
Energy: 0.035179594601480284
Energy: 0.29246786729416996
Energy: 0.3782113996772118
Energy: 0.4006193533049049
Energy: 0.17643391887071921
Energy: 0.4156894400587598
Energy: 0.28131069748395016
Energy: 0.3752774599571457
Energy: 0.37766558948486656
Energy: 0.25103333452564935
Energy: 0.3242622851209041
Energy: 1.6127217550827828
Energy: 1.2146328725569286
Energy: 0.3891243332609671
Energy: 0.34950309658453715
Energy: 0.20892823347758277
Energy: 1.2731470310382023
Energy: 1.2072626867196108
Energy: 0.032325315369311325
Energy: 0.38778046100228664
Energy: 0.19116578600393935
Energy: 0.24074960568570075
Energy: 0.13005579676636045
Energy: 0.10050043445471546
Energy: 0.030166102311315293
Energy: 0.15321856145477641
Energy: 0.4066986302746786
Energy: 0.14138958853276837
Energy: 0.14276352084405375
Energy: 0.06653696098629912
Energy: 0.18332237565871337
Energy: 0.14492595635093336
Energy: 1.1014744973188206
Energy: 0.2624396046839968
Energy: 1.5769763871888223
Energy: 0.1415516377978988
Energy: 0.1793265743720817
Energy: 0.15899074150438253
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Energy: 0.21570207986158943
Energy: 0.3290990770384222
Energy: 0.18509732627994965
Energy: 0.1316742507770306
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Energy: 1.0485197189003659
Energy: 0.19351778260006264
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Energy: -0.07613390853038575
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Energy: 1.2493317391332945
Energy: 0.1843744261718457
Energy: 0.1541484523563106
Energy: 1.587553909340323
Energy: 0.0009191810508593809
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Energy: 0.09941028708181436
Energy: 0.13326308201893913
Energy: 0.39910749214871466
Energy: 0.28534768557351536
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Energy: 0.12837893162196762
Energy: 0.38159972794944425
Energy: 0.1733357931190517
Energy: 0.028513323984625753
Energy: 0.03298178949951426
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Energy: 0.3799924320870304
Energy: 1.284995168728663
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Energy: 0.22832405254728924
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Energy: 0.38383206592529845
Energy: 0.4176958066549294
Energy: 1.432678220528067
Energy: -0.013014136102649407
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Energy: 0.3849930825519795
Energy: 0.3747399955794368
Energy: 0.2921637230850283
Energy: 0.22983988478403855
Energy: 1.275790824983216
Energy: 0.09168010937843322
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Energy: 0.38309882027991315
Energy: 1.6561584785339007
Energy: 1.2428970843336977
Energy: 1.2610907971274887
Energy: 0.38694081183766577
Energy: 0.28025129861044007
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Energy: 0.364075027109575
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Energy: 0.3500884305549131
Energy: 1.6187202096185038
Energy: 1.2154144330793655
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Energy: 0.08131995166113172
Energy: 0.06688071920733399
Energy: 0.18221156142790645
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Energy: 0.4047683456389073
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Energy: 0.252529997907592
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Energy: 0.09187705395504163
Energy: 1.1337372991694736
Energy: 0.06554813819715316
Energy: 0.03981279696624648
Energy: 0.1852130858007425
Energy: 0.18426744978867285
Energy: 0.3640052881344681
Energy: 0.051668783280000734
Energy: 0.17542130672145576
Energy: 0.1819149323189148
Energy: 0.06927554229995875
Energy: 0.3829938696597437
Energy: 2.285372542772875
Energy: 0.3707944404710829
Energy: 0.12533823629594537
Energy: 0.15524648914034275
Energy: 0.1207719501090259
Energy: 1.3068243172903875
Energy: 0.3376407044484898
Energy: 1.5815638327894943
Energy: 0.13447012779621303
Energy: 0.07896959153496476
Energy: 1.5843802891773806
Energy: 0.11289053312598284
Energy: 0.193704839216594
Energy: 0.15421167406654696
Energy: -0.009934270447456216
Energy: -0.005931643920810305
Energy: 0.41260688023500336
Energy: 0.14033646237573466
Energy: 0.26763887022653793
Energy: 0.17672206185563033
Energy: 1.6003893226713801
Energy: 0.3486776330189866
Energy: 0.08940354269399683
Energy: 0.18960943376662526
Energy: 0.015445926742902372
Energy: 0.07897692445508989
Energy: 0.15466465269045526
Energy: 0.06746758884720122
Energy: 0.18383504898642403
Energy: 0.07872990535146046
Energy: 0.027680956319256492
Energy: 0.1302827026050848
Energy: 0.19176870614944352
Energy: 0.37322947340749596
Energy: 0.18122865037704777
Energy: 0.07758287305916285
Energy: 0.10892471823628057
Energy: 0.12723003969866578
Energy: 0.1682544266371294
Energy: 0.0732872422434698
Energy: 0.35081171891962687
Energy: 1.125592931911047

minimum gb energy = -0.9553615474599569 eV
minimum distance =  2.55041155907816 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.24170289259184682
Energy: -0.3520000167003503
Energy: -0.3468752058188784
Energy: -0.504721908124614
Energy: -0.3708478422961432
Energy: -0.5994241112929649
Energy: 0.3296022535962199
Energy: -0.853044899006679
Energy: 0.21039447842427755
Energy: 0.16070680233993964
Energy: -0.8127912398426247
Energy: -0.45890428116348825
Energy: 0.6068723131669809
Energy: -0.6236535114910162
Energy: -0.6355656463409821
Energy: -0.2788329415015081
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Energy: 0.6141912097721293
Energy: 0.507832178873546
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Energy: -0.3867226534081042
Energy: 2.150929486625921
Energy: 0.63068590755176
Energy: 0.6318085647253195
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Energy: -0.5031969530359279
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Energy: -0.41157160466812226
Energy: -0.09313438868968221
Energy: 1.4438072153921238
Energy: 0.42911009266791056
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Energy: -1.1375605610823194
Energy: -0.5951061193728565
Energy: -0.7885394040527307
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Energy: 0.45753735847747656
Energy: -0.07811030234639557
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Energy: -0.4448953357259779
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Energy: -0.5033852748499483
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Energy: -0.22970994822495794
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Energy: -0.17019978265433722
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Energy: -0.31178752231709395
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Energy: 1.1531495905637403
Energy: -0.45911950861071654
Energy: 1.1751988621040514
Energy: -0.29728197743739565
Energy: 0.6176249269093368
Energy: -0.2132414635953865
Energy: 1.2161530254486799
Energy: -0.4067446367516084
Energy: 2.8893946373220185
Energy: -0.2793329517619866
Energy: -1.1173011840649087
Energy: -0.2522506991255958
Energy: -0.44559747661154636
Energy: -0.44196227399365
Energy: 2.897183647853461
Energy: -0.4856281752666191
Energy: -0.3636557076585849
Energy: 0.4600182180958382
Energy: 0.08594445347837432
Energy: -0.027990845409831662
Energy: -0.47934968889066426
Energy: 0.07767945434541691
Energy: -0.259464955146281
Energy: 0.24972746320715417
Energy: 0.07706140006643197
Energy: -0.1632956060736232
Energy: -0.2812214210005757
Energy: -0.7224058342157426
Energy: -0.6839737942469053
Energy: -0.2273189351181033
Energy: 0.5452919519559265
Energy: 0.3493104411906849
Energy: 0.4864085492656698
Energy: 2.0003007668928747
Energy: -0.27774614172410483
Energy: 0.4300070255275684
Energy: 0.596204258650963
Energy: 0.5509999277631477
Energy: 1.7717006436442835
Energy: -0.5012715074091231
Energy: 0.37371229456408017
Energy: 0.6035575308845692
Energy: 1.3787862275305178
Energy: 1.4950711294271761
Energy: 1.2292042839696742
Energy: -0.36032328043335987
Energy: 1.1522965343726095
Energy: 1.4686872202757804
Energy: 0.4686683834549008
Energy: 0.5206995387654687
Energy: 0.3592867349158088
Energy: -0.0345427012429682
Energy: 0.5633498115410056
Energy: 0.5998789844979404
Energy: -0.3970594186813915
Energy: -0.6144115125454299
Energy: 0.07139884819630173
Energy: -0.31619326261626574
Energy: -0.7398155174894594
Energy: -0.42293967162689283

minimum gb energy = -1.1375605610823194 eV
minimum distance =  2.54390136980566 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.9663711590548942
Energy: 1.379648434524261
Energy: 1.3893345254622989
Energy: 1.39082232156404
Energy: 1.9580419373667433
Energy: 2.497679498335164
Energy: 1.3722953137331675
Energy: 2.63713500122259
Energy: 2.7144163416923073
Energy: 1.9661821756627598
Energy: 2.7104446093829075
Energy: 2.149954398894513
Energy: 1.963095453127934
Energy: 1.3504820430012545
Energy: 2.0668662183118878
Energy: 2.5307021641840803
Energy: 2.063609157852058
Energy: 1.9553486052420677
Energy: 1.9553746288088099
Energy: 1.9555796450414775
Energy: 2.0711915499662488
Energy: 1.9600883849371016
Energy: 1.3521895349043365
Energy: 1.9558579914382563
Energy: 1.9714890641747285
Energy: 1.9482010905538598
Energy: 1.48323731886381
Energy: 1.380471215672062
Energy: 1.9591489136350437
Energy: 1.9501625380575514
Energy: 1.372707694631571
Energy: 1.3478894424291812
Energy: 1.9536125853279511
Energy: 1.9404545176531982
Energy: 2.72101183353301
Energy: 1.3580873573990517
Energy: 1.3678867851950118
Energy: 1.9550855998324594
Energy: 1.9366688494587183
Energy: 1.3790114651496586
Energy: 1.952842204525567
Energy: 2.522148639624656
Energy: 1.3641954091565454
Energy: 1.5081719717172442
Energy: 1.9338328257764112
Energy: 1.951165284107589
Energy: 1.941009405148297
Energy: 2.5232163136347237
Energy: 1.9586488891640208
Energy: 1.9581342145222558
Energy: 1.948280827204679
Energy: 1.934808880769772
Energy: 1.9533372760130345
Energy: 2.0544811678767814
Energy: 1.9691807184829915
Energy: 2.0639124934740067
Energy: 1.947801007088491
Energy: 1.9373431852985101
Energy: 1.9520668829738725
Energy: 2.0660807444455904
Energy: 1.981014567084635
Energy: 2.064838410581022
Energy: 1.351348011942948
Energy: 1.9418513562921467
Energy: 2.1523996762643764
Energy: 2.6385082048989648
Energy: 1.9604862114869894
Energy: 1.9488456170319606
Energy: 1.3520643797298033
Energy: 1.9590979867216691
Energy: 2.13657882860238
Energy: 1.9539045703916407
Energy: 1.3953487927253359
Energy: 1.9437808629021052
Energy: 1.3520826252399056
Energy: 1.9569990805110473
Energy: 1.9589116425445392
Energy: 1.3675995836482455
Energy: 1.3593797618982049
Energy: 2.0635350222397166
Energy: 1.348463455009324
Energy: 1.3657188184047129
Energy: 1.3416560630319103
Energy: 1.9472695182681188
Energy: 1.3599845328918339
Energy: 1.3409612197768135
Energy: 1.3468715027241984
Energy: 1.3661510056417001
Energy: 1.342958458012879
Energy: 2.0681538902146084
Energy: 1.3947094471682169
Energy: 1.3431306946948325
Energy: 1.3480449204845086
Energy: 1.37454546287868
Energy: 1.345363625854496
Energy: 1.4726398989572407
Energy: 1.9386417225956947
Energy: 1.35204881846306
Energy: 1.346577707153372
Energy: 1.365342033549157
Energy: 1.339770128912277
Energy: 2.075449420695796
Energy: 1.4084613223511735
Energy: 2.066519498875853
Energy: 1.94870439880884
Energy: 1.3707209525708557
Energy: 1.9547637910300717
Energy: 1.9645139209854878
Energy: 1.404568057569849
Energy: 1.395511185671414
Energy: 2.0609776131183897
Energy: 2.461493189271683
Energy: 1.9506953812316032
Energy: 1.3983316331320341
Energy: 1.9633635602017248
Energy: 2.712690232178332
Energy: 1.3547038250459387
Energy: 1.3621354891991422
Energy: 2.06309608351961
Energy: 1.9570203809731403
Energy: 2.5396705334044714
Energy: 2.131215326315755
Energy: 1.9503390667216924
Energy: 1.9586455929483941
Energy: 1.4976351329880022
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Energy: 1.488868179240826
Energy: 1.9538926838843973
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Energy: 1.9584882454972574
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Energy: 1.3800605382345899
Energy: 1.9569264029065703
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Energy: 1.9536560293361038
Energy: 1.4685779370900782
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Energy: 1.3403398389378265
Energy: 1.353760353436916
Energy: 1.3704798770416406
Energy: 1.345138922956643
Energy: 1.4193136302086735
Energy: 1.3792770873280515
Energy: 1.949657245221032
Energy: 1.9494486125174921
Energy: 1.3613213039814898
Energy: 1.9556176314033022
Energy: 1.942148344532655
Energy: 1.95394985057361
Energy: 1.928070845869092
Energy: 1.9379726571484928
Energy: 1.3346327270551854
Energy: 1.9523312452585915
Energy: 1.9358447760624995
Energy: 1.9368868652589069
Energy: 1.9509488726682567
Energy: 1.9592252422927634
Energy: 1.956478286031342
Energy: 1.9563736200018975
Energy: 1.9487160090440239
Energy: 1.934065275708039
Energy: 1.9496721916515638
Energy: 2.06910660636453
Energy: 1.9559902842887114
Energy: 1.5114254465809265
Energy: 1.945143530510116
Energy: 1.9506061652497313
Energy: 1.4788910733617215
Energy: 2.062987062112579
Energy: 1.9785920740065734
Energy: 2.1269770743475402
Energy: 1.9372625468239402
Energy: 1.334818211468349
Energy: 1.3507049984271813
Energy: 1.9457616278531924
Energy: 1.962959098627542
Energy: 1.9542461128822342
Energy: 1.9311002569640776
Energy: 1.347462961944308
Energy: 1.3555961543908208
Energy: 1.9619007909821913
Energy: 1.396309380276966
Energy: 1.9396339855160862
Energy: 1.932919155200249
Energy: 1.3707624270251868
Energy: 1.4795318065629113
Energy: 2.066159846279607
Energy: 1.3574258359032458
Energy: 2.0610440494795625
Energy: 1.3557688169231672
Energy: 1.3725072742474926
Energy: 1.3441431739212668
Energy: 1.5002576488505022
Energy: 1.3600967943655742
Energy: 1.339768123168769
Energy: 1.3502545969034896
Energy: 1.410857362587378
Energy: 1.3470202819623356
Energy: 1.344071040765717
Energy: 1.3963278501592895
Energy: 1.3436737370861769
Energy: 1.3505356898071628
Energy: 1.3658716567016895
Energy: 1.34280841951347
Energy: 1.498872103101496
Energy: 1.9692523065408032
Energy: 1.34026052537853
Energy: 1.3503038822958984
Energy: 1.366719357435619
Energy: 1.9497474312678946
Energy: 2.068108411972914
Energy: 1.9692262346280858
Energy: 2.6374004809709657
Energy: 1.356870256786477
Energy: 2.7920400415278945
Energy: 1.3514821344627626
Energy: 1.3935854124552043
Energy: 1.398191292095882
Energy: 1.961525256686799
Energy: 2.450692910915495

minimum gb energy = 1.3346327270551854 eV
minimum distance =  2.54027172304204 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 4.175043081272239
Energy: 1.1900921065952115
Energy: 1.2328529223045361
Energy: 1.2608075763735702
Energy: 1.1838011575467118
Energy: 0.027742451393255457
Energy: 1.3205366680768633
Energy: 0.30871117757572547
Energy: 0.261553823946015
Energy: 1.2921539136579825
Energy: 0.3418006191215207
Energy: 1.2358304131883653
Energy: 1.2981120020874157
Energy: 0.30103795070238987
Energy: 0.26786363070178293
Energy: -0.3157297262580422
Energy: 0.35873082578268145
Energy: 1.2231926649277463
Energy: 1.310129863121736
Energy: 0.2885585739063983
Energy: 0.23224032225562508
Energy: 1.3213668113679127
Energy: 0.341348424855951
Energy: 0.2572132700690311
Energy: 1.3187875612954734
Energy: 1.2366405218510605
Energy: 0.22746956290087678
Energy: 1.302422732945188
Energy: 0.37110067892969933
Energy: 1.2403645196319668
Energy: 1.342629665272257
Energy: 1.248185189519449
Energy: 1.199666357872639
Energy: 0.8545849005640077
Energy: 1.2431737299716814
Energy: 1.2746497779190933
Energy: 2.151256447693201
Energy: 0.29349783593332524
Energy: 1.2528650926517118
Energy: 1.3036632869678098
Energy: 0.3521674644675919
Energy: 1.2416814291542009
Energy: 2.159358416612378
Energy: 0.3009684938315657
Energy: 1.2221795800057988
Energy: 1.2986848995727045
Energy: 1.245802851259599
Energy: 1.245236167791136
Energy: 1.3092768738764913
Energy: 0.2798949102469928
Energy: 0.25808006046934523
Energy: -0.29432519179764216
Energy: 0.34797028529162816
Energy: 1.2691751190216987
Energy: 1.3083465816739959
Energy: 0.29736675165238813
Energy: 0.22410298046730504
Energy: 1.2828212039579368
Energy: 0.337253665107658
Energy: 0.2369695032523199
Energy: 1.3058589961700426
Energy: 0.2764085757656997
Energy: 0.23467625656181615
Energy: 1.2678304248195034
Energy: 0.3460232045644258
Energy: 1.2706522526057675
Energy: 1.3379891536222017
Energy: 1.2320781660312146
Energy: 0.24158747740790656
Energy: 0.826447979800548
Energy: 0.35322296284747134
Energy: 1.2172136178752488
Energy: 1.3570343410744676
Energy: 1.1972717817597838
Energy: 0.2359493100386602
Energy: 1.2771965844215252
Energy: 0.35022878024452536
Energy: 1.2652280920702015
Energy: 2.1952528025238367
Energy: 0.2840208419402545
Energy: 1.2573765196650912
Energy: 1.254767070547316
Energy: 1.1855341202353147
Energy: 1.2823826806422827

minimum gb energy = -0.3157297262580422 eV
minimum distance =  2.64300642210605 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.09707500516214
Energy: 2.163038719290818
Energy: 2.1626988894382264
Energy: 2.1522983985776
Energy: 2.162519223668072
Energy: 2.0854185857441725
Energy: 2.1591693911756344
Energy: 2.158648518141781
Energy: 2.1573604404089277
Energy: 2.152948360392187
Energy: 2.2328475457229757
Energy: 2.155722608742694
Energy: 2.1589529294008045
Energy: 2.1452372445905716
Energy: 2.214462772020402
Energy: 2.1219875295597634
Energy: 2.1482850452232976
Energy: 2.1467586432726975
Energy: 2.150382487505041
Energy: 2.1586599077252995
Energy: 2.159315827551937
Energy: 2.163876500065169
Energy: 2.152598889429506
Energy: 2.1570223085649824
Energy: 2.150848763634897
Energy: 2.164918758607312
Energy: 2.23139621986248
Energy: 2.1528517191118404
Energy: 2.158396696338896
Energy: 2.1648058522905638
Energy: 2.161928156521419
Energy: 2.156300038909567
Energy: 2.221200886037354
Energy: 2.162361068107868
Energy: 2.2198114319097715
Energy: 2.1549818677597754
Energy: 2.1192172133617126
Energy: 2.156780635223006
Energy: 2.155034996091257
Energy: 2.163909553880121
Energy: 2.1546564278131544
Energy: 2.118428556175479
Energy: 2.120532435913521
Energy: 2.242304738644588
Energy: 2.150150812737535
Energy: 2.162832604994749
Energy: 2.1495780809298664
Energy: 2.117846594348549
Energy: 2.1650850711573173
Energy: 2.1529489907554353
Energy: 2.2292821267071847
Energy: 2.1300698163167824
Energy: 2.1609251936516776
Energy: 2.1496493936053716
Energy: 2.160582775971372
Energy: 2.1531560169078934
Energy: 2.1558361133985455
Energy: 2.130824254995297
Energy: 2.159376614563951
Energy: 2.153067719211109
Energy: 2.1466178206570166
Energy: 2.1592437785177325
Energy: 2.156547370009465
Energy: 2.1660202536178437
Energy: 2.230686602242929
Energy: 2.1558570913427184
Energy: 2.1546369808770844
Energy: 2.2395395071614685
Energy: 2.1606988423926476
Energy: 2.149198379239752
Energy: 2.237374085485323
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Energy: 2.163042963773036
Energy: 2.159390192539298
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Energy: 2.1528677930382467
Energy: 2.153321079962651
Energy: 2.1452585661157073
Energy: 2.1112729446554614
Energy: 2.1570503414315785
Energy: 2.1435734430135494
Energy: 2.1621074592047136
Energy: 2.141457115929348
Energy: 2.223531984291451
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Energy: 2.155872824697937
Energy: 2.161467022744237
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Energy: 2.153457704335457
Energy: 2.133522645829884
Energy: 2.0935118911028727
Energy: 2.1468503085411155
Energy: 2.163002186666662
Energy: 2.160272855063361
Energy: 2.15970767278515
Energy: 2.1595505796442476
Energy: 2.122473574766115
Energy: 2.1545702971162775
Energy: 2.157353022011653
Energy: 2.1260299451742983
Energy: 2.220573918726164
Energy: 2.147686935647436
Energy: 2.1551452360244534
Energy: 2.146857221450117
Energy: 2.1372572232311766
Energy: 2.161740020957907
Energy: 2.1572725921838005
Energy: 2.155117759198994
Energy: 2.153047283939433
Energy: 2.1558424770164017
Energy: 2.158316398037328
Energy: 2.154418411598011
Energy: 2.1553994616230665
Energy: 2.162683412468248
Energy: 2.1493966181006896
Energy: 2.1611130207683824
Energy: 2.160826760179314
Energy: 2.1680991656010744
Energy: 2.232425726006386
Energy: 2.1535308016876384
Energy: 2.1601977383221405
Energy: 2.1538297712965266
Energy: 2.246589484967423
Energy: 2.163323466793844
Energy: 2.1547838106150285
Energy: 2.153853455090123
Energy: 2.1191961408029476
Energy: 2.1574311741183627
Energy: 2.1557443027196634
Energy: 2.162196304065887
Energy: 2.150773070413453
Energy: 2.1008672596106885
Energy: 2.1151901400740583
Energy: 2.1584024158627
Energy: 2.1543299307082715
Energy: 2.132349169926669
Energy: 2.1572283952278384
Energy: 2.148491695706874
Energy: 2.1667453507130046
Energy: 2.1542367303801946
Energy: 2.1334274562447755
Energy: 2.1295014209226117
Energy: 2.162199620120427
Energy: 2.1492431258012368
Energy: 2.1608456736294195
Energy: 2.1518416165604943
Energy: 2.2120336358218373
Energy: 2.1635501757253217
Energy: 2.2383867744999377
Energy: 2.158977502979252
Energy: 2.149449824277353
Energy: 2.1552907716640233
Energy: 2.1521784007138005
Energy: 2.150157941029924
Energy: 2.2419824647096918
Energy: 2.151894061726155
Energy: 2.152429195641561
Energy: 2.2375023970193433
Energy: 2.1598393994779506
Energy: 2.1510244290943286
Energy: 2.154709908558289
Energy: 2.154196937936816
Energy: 2.163028337490347
Energy: 2.159068997879745
Energy: 2.159291664122047
Energy: 2.1624651911352424
Energy: 2.1452189545707574
Energy: 2.1601712096861085
Energy: 2.1133395054006354
Energy: 2.1533043768802353
Energy: 2.146956473346449
Energy: 2.1632635195772467
Energy: 2.1537680679499394
Energy: 2.2373824338956307
Energy: 2.161222607922099
Energy: 2.157731298805268
Energy: 2.145988594737305
Energy: 2.0944899940909925
Energy: 2.2274063635151387
Energy: 2.15211339657345
Energy: 2.162708360780177
Energy: 2.1488138382514212
Energy: 2.134357195920057

minimum gb energy = 2.0854185857441725 eV
minimum distance =  2.50968549357541 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 5.1320999070739255
Energy: 2.917652259546622
Energy: 2.920077783195044
Energy: 2.9184087361789546
Energy: 2.918942134517189
Energy: 2.760614851272567
Energy: 2.7661558954952774
Energy: 2.8043335826763696
Energy: 2.765302549210434
Energy: 2.7659541058535124
Energy: 2.802026344366433
Energy: 2.7671342467890128
Energy: 2.7641160490369105
Energy: 2.7658273357314003
Energy: 2.8029890913512965
Energy: 2.7679093063382756
Energy: 2.8022690293858195
Energy: 2.766636989757335
Energy: 2.762392600725914
Energy: 2.767030252878201
Energy: 2.765552722164577
Energy: 2.7665757484465865
Energy: 2.8008617196693004
Energy: 2.7693211815541408
Energy: 2.7616296047876703
Energy: 2.7668782630347177
Energy: 2.806937687705208
Energy: 2.7660569604867784
Energy: 2.8004772199145633
Energy: 2.766829339361627
Energy: 2.768980005706834
Energy: 2.7673372577284
Energy: 2.803530591482058
Energy: 2.771609728463458
Energy: 2.801240018008187
Energy: 2.7668992258062826
Energy: 2.7443143757183512
Energy: 2.8039293613744296
Energy: 2.7661174431736626
Energy: 2.7654326770039224
Energy: 2.76666295411821
Energy: 2.8081195917812356
Energy: 2.744266133368585
Energy: 2.800362439592869
Energy: 2.7665724017735887
Energy: 2.767544646891221
Energy: 2.766418786860676
Energy: 2.80651842531926
Energy: 2.7667685937655793
Energy: 2.7653754883722708
Energy: 2.7318133908628006
Energy: 2.727821033491448
Energy: 2.8025597622247154
Energy: 2.766220936844733
Energy: 2.765154018010963
Energy: 2.7655412204637853
Energy: 2.7316236310573885
Energy: 2.7284459830040064
Energy: 2.802447374796284
Energy: 2.777788506025889
Energy: 2.7355453988288856
Energy: 2.8032458167077157
Energy: 2.767353610260015
Energy: 2.7686015270733857
Energy: 2.8016114111194406
Energy: 2.8039353841616874
Energy: 2.7325968854774882
Energy: 2.8031434211987314
Energy: 2.7666013553287105
Energy: 2.762343706518668
Energy: 2.7665640614290252
Energy: 2.8074805679489305
Energy: 2.7651627377836316
Energy: 2.8016502882920897
Energy: 2.7674102342778504
Energy: 2.761812555803646
Energy: 2.7664892303365454
Energy: 2.765749116778821
Energy: 2.7702704453776987
Energy: 2.8018465826754686
Energy: 2.7652986679907174
Energy: 2.7646837592240523
Energy: 2.7652049970928934
Energy: 2.804381933792217
Energy: 2.764484897653321
Energy: 2.8012170488798804
Energy: 2.798080289783468
Energy: 2.766385661598362
Energy: 2.8035220728926746
Energy: 2.762680658389585
Energy: 2.9150006930223693
Energy: 2.767499975124072
Energy: 2.7656660902227084
Energy: 2.739053467039757
Energy: 2.7669438594399907
Energy: 2.921007467035293
Energy: 2.7279445732704137
Energy: 2.7660563197465393
Energy: 2.766023735270586
Energy: 2.76713767114491
Energy: 2.8028468818103787
Energy: 2.7661272671305186

minimum gb energy = 2.727821033491448 eV
minimum distance =  2.50781035220043 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 5.334141372572191
Energy: 2.52233929598785
Energy: 2.5237614678375615
Energy: 2.520358204940457
Energy: 2.5236360283416155
Energy: 2.3512303301443627
Energy: 2.499940099209562
Energy: 2.395464464976214
Energy: 2.5000709339235496
Energy: 2.5135907269248694
Energy: 2.398555603937779
Energy: 2.501698666145666
Energy: 2.5034649223425616
Energy: 2.497869752208997
Energy: 2.30069231670762
Energy: 2.2632857442456675
Energy: 2.402213955226398
Energy: 2.5100170694688666
Energy: 2.4970747409379253
Energy: 2.5009357470357787
Energy: 2.4058305397786177
Energy: 2.4952291685721355
Energy: 2.4005755876991834
Energy: 2.509192098190333
Energy: 2.4965928540466957
Energy: 2.47043782714291
Energy: 2.5155009342282173
Energy: 2.503196954522206
Energy: 2.4748754517403193
Energy: 2.5140006968427002
Energy: 2.5086798055436623
Energy: 2.508628033115053
Energy: 2.5053925388669347
Energy: 2.4987496640483284
Energy: 2.503223207680047
Energy: 2.5133068892338075
Energy: 2.5106981778104713
Energy: 2.3975106604005263
Energy: 2.4993760779614296
Energy: 2.5049899701192655
Energy: 2.504500527495094
Energy: 2.403854834842201
Energy: 2.5158268205010845
Energy: 2.3976545890820415
Energy: 2.5139664129557384
Energy: 2.4965567714749857
Energy: 2.403129387240765
Energy: 2.4070450318740955
Energy: 2.519016690203473
Energy: 2.5035552397341023
Energy: 2.4007996013367006
Energy: 2.4021953082954353
Energy: 2.5003943019740262
Energy: 2.5024623006032063
Energy: 2.514709006926736
Energy: 2.503446779770611
Energy: 2.403217927104899
Energy: 2.4147623507999687
Energy: 2.3985882325934496
Energy: 2.5115489812538616
Energy: 2.5465616251741476
Energy: 2.3951016111359587
Energy: 2.5128180969298075
Energy: 2.5104173979374265
Energy: 2.5107017554027506
Energy: 2.273301962596093
Energy: 2.489473564407656
Energy: 2.399812870730143
Energy: 2.504878336150107
Energy: 2.5009502493697475
Energy: 2.499541881611565
Energy: 2.5587795309386796
Energy: 2.495418332105566
Energy: 2.514640232064188
Energy: 2.3984382831804396
Energy: 2.274524920477399
Energy: 2.3955070842376465
Energy: 2.4983888327723047
Energy: 2.499188032155422
Energy: 2.500190492466745
Energy: 2.4027940094478812
Energy: 2.291656730085467
Energy: 2.401843739503417
Energy: 2.5144240242138483
Energy: 2.500714231494868
Energy: 2.5062710463588402
Energy: 2.50014837151004
Energy: 2.5110396577449245
Energy: 2.403638257880562
Energy: 2.512555540718915
Energy: 2.4999093208919585
Energy: 2.5045216313598426
Energy: 2.4778298642214125
Energy: 2.510771990457188
Energy: 2.4718483650481176
Energy: 2.507797364680399
Energy: 2.51091553684955
Energy: 2.397021668650811
Energy: 2.5005098617973056
Energy: 2.502258863895281
Energy: 2.5015428269210718
Energy: 2.503203729352646
Energy: -0.7458775121220631
Energy: 2.3980762823836534
Energy: 2.505231697943078
Energy: 2.500381312386486
Energy: 2.394688193239533
Energy: 2.3674949758935075
Energy: 2.512586514574641
Energy: 2.49767942439722
Energy: 2.398446091158608
Energy: 2.504526509182091
Energy: 2.395642294088327
Energy: 2.5007988955850307
Energy: 2.521461714715248
Energy: 2.5104449361186343
Energy: 2.50033762324826
Energy: 2.4133477212075474
Energy: 2.5076533812620823
Energy: 2.52633018571081
Energy: 2.5333919350903167
Energy: 2.3977849280231354
Energy: 2.5058133663829834
Energy: 2.505253965403286
Energy: 2.507463160185734
Energy: 2.5167841832834577

minimum gb energy = -0.7458775121220631 eV
minimum distance =  2.52346707142767 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.9424602752768556
Energy: 2.7030876079757804
Energy: 2.790059678948135
Energy: 2.7777010079724573
Energy: 2.699780217995573
Energy: 2.7548461821348265
Energy: 2.7828517775980037
Energy: 2.721127395729068
Energy: 2.7967667032130725
Energy: 2.696021903596474
Energy: 2.701278590785617
Energy: 2.7880584287540526
Energy: 2.694890845565611
Energy: 2.7165183355285794
Energy: 2.696777170092933
Energy: 2.694190061687874
Energy: 2.697213110732983
Energy: 2.705166936667972
Energy: 2.6932457091008732
Energy: 2.715457047507978
Energy: 2.7130505783626595
Energy: 2.69410684773967
Energy: 2.698020775433437
Energy: 2.7041195939036613
Energy: 2.822828013935929
Energy: 2.985182899575493
Energy: 2.7610232677595907
Energy: 2.750381170718813
Energy: 2.983268664880736
Energy: 2.981922005618419
Energy: 2.698043052072285
Energy: 2.7151015420735765
Energy: 2.761123599364853
Energy: 2.7512950453677023
Energy: 2.750377852721718
Energy: 2.70769754302655
Energy: 2.6940406906547554
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Energy: 2.9836795875391044
Energy: 2.744752210336152
Energy: 2.9862228889407727
Energy: 2.7039086825566057
Energy: 2.6931218850219305
Energy: 2.7572583489576776
Energy: 2.7605755287529927
Energy: 2.7919234756036286
Energy: 2.698076903616956
Energy: 2.7032055763049576
Energy: 2.6984822753407594
Energy: 2.7171573557460427
Energy: 2.698814507976452
Energy: 2.697221136342557
Energy: 2.699125418246547
Energy: 2.705198086283712
Energy: 2.6956765479127003
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Energy: 2.755110067443716
Energy: 2.6977736226321314
Energy: 2.6992431324330712
Energy: 2.7054448965270548
Energy: 2.7000630547766153
Energy: 2.7488528413833575
Energy: 2.7908439606045903
Energy: 2.7799453448142484
Energy: 2.7504223215056434
Energy: 2.7003722829832233
Energy: 2.701401495480308
Energy: 2.6981849490644785
Energy: 2.69492846099019
Energy: 2.7844209552280996
Energy: 2.7476474855073416
Energy: 2.7083706983466516
Energy: 2.7761603410111357
Energy: 2.7181133649782043
Energy: 2.6985787304876627
Energy: 2.6983116235804228
Energy: 2.7477562650741443
Energy: 2.6990528289844393
Energy: 2.7000224063300675
Energy: 2.7630263224909717
Energy: 2.756001003100391
Energy: 2.6989521729928967
Energy: 2.698027742525274
Energy: 2.752878976274447
Energy: 2.6906526900470644
Energy: 2.6970250701179945
Energy: 2.7113753449869624
Energy: 2.694422147112947
Energy: 2.6965981701675625
Energy: 2.6976649252064453
Energy: 2.692066719552845
Energy: 2.7536552456108563
Energy: 2.710082322075159
Energy: 2.6991785303356237
Energy: 2.69787624056924
Energy: 2.7082295079796106
Energy: 2.7484321094762785
Energy: 2.768708384568982
Energy: 2.985091750644437
Energy: 2.695988549108405
Energy: 2.9930744154127904
Energy: 2.7582952728550993
Energy: 2.7759621153019274
Energy: 2.9853365327074513
Energy: 2.7087845967315416
Energy: 2.694562063035775
Energy: 2.7540355006917383
Energy: 2.9831886566757375
Energy: 2.7884898700437684
Energy: 2.9854980770022905
Energy: 2.708909947972793
Energy: 2.6949158869292855
Energy: 2.986794277471256
Energy: 2.982619305086356
Energy: 2.7492284584314635
Energy: 2.768270099000646
Energy: 2.9821986732940005
Energy: 2.692536556596139
Energy: 2.990502498762218
Energy: 2.7583429113978455
Energy: 2.6959754092714183
Energy: 2.6981433704186784
Energy: 2.7116893860306504
Energy: 2.7000211408828485
Energy: 2.714307957555872
Energy: 2.703590703803191
Energy: 2.6995758848499087
Energy: 2.697312444226495
Energy: 2.710614433590786
Energy: 2.6948234542352094
Energy: 2.6979942272504593
Energy: 2.6972812821032592
Energy: 2.697615725658642
Energy: 2.7596073897060664
Energy: 2.7145023070884453
Energy: 2.7012342428072826
Energy: 2.6976822618875778
Energy: 2.69803645006585
Energy: 2.7801760491505183
Energy: 2.708156785063237
Energy: 2.6990529713689035
Energy: 2.701470150228862
Energy: 2.7477981918528696
Energy: 2.7865141731403034
Energy: 2.696975506687252
Energy: 2.7531648440667453
Energy: 2.758089729077428
Energy: 2.7769209705789253
Energy: 2.7500543177777987
Energy: 2.69889314461875

minimum gb energy = 2.6906526900470644 eV
minimum distance =  2.55130865235949 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.5423466876267478
Energy: -0.5319704510911053
Energy: -0.5342083504745146
Energy: 2.4496134330870296
Energy: -0.5327594932703391
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Energy: -0.1957061875645638
Energy: -0.17460234373495737
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Energy: -0.534886864605585
Energy: -0.5244926959304383
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Energy: -0.5357380823343821
Energy: -0.1613377588070237
Energy: -0.5319247945988071
Energy: -0.09169004021095739
Energy: -0.5345175132098201
Energy: -0.5322276568252305
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Energy: -0.535856862598949
Energy: -0.17357784722124714
Energy: -0.5306253076834612
Energy: -0.5366736754995364
Energy: -0.5356444969974016
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Energy: -0.532433475756581
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Energy: -0.16719324964816984
Energy: -0.5274405062293612
Energy: -0.5347460999418878
Energy: -0.533574039168553
Energy: -0.5376677217690929
Energy: -0.5309604149550644
Energy: -0.5328801911806366
Energy: -0.5278261462435342
Energy: 2.52977711253082
Energy: -0.17017702134171026
Energy: -0.5273622011022675
Energy: -0.5282652972445581
Energy: -0.5327247970726107
Energy: -0.5353352227114212
Energy: -0.1449594573018437
Energy: -0.16272222901176953
Energy: -0.5282335009594534
Energy: -0.5347047110335762
Energy: 2.464590513990748
Energy: -0.5265351028396861
Energy: -0.5361670047484289
Energy: 2.4567680101734246
Energy: -0.525143666635623
Energy: 2.3847065501319182

minimum gb energy = -0.5377851114772891 eV
minimum distance =  2.57332620858268 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.488582314277658
Energy: 2.45765336393367
Energy: 2.463830776480088
Energy: 2.446530604162043
Energy: 2.4565662852594703
Energy: 2.4277752369208385
Energy: 2.454060568699766
Energy: 2.4561121610986243
Energy: 2.4579808310954214
Energy: 2.450191782625585
Energy: 2.451334445677722
Energy: 2.4518787420760897
Energy: 2.458650596111487
Energy: 2.4599313046164006
Energy: 2.4675455023057116
Energy: 2.4671550979261854
Energy: 2.4490345622436047
Energy: 2.4567417690656357
Energy: 2.4514177168795346
Energy: 2.452324969287443
Energy: 2.461877665917805
Energy: 2.4413534465101048
Energy: 2.4514412966065278
Energy: 2.4537455264839347
Energy: 2.424523072394904
Energy: 2.4860111302231824
Energy: 2.4884516096197626
Energy: 2.4760559194687253
Energy: 2.4754134707358793
Energy: 2.471075917055023
Energy: 2.450224738443131
Energy: 2.468143552418119
Energy: 2.48895478826751
Energy: 2.4730172629442277
Energy: 2.5010029519401273
Energy: 2.461725925019714
Energy: 2.4475555963796958
Energy: 2.6878719801952435
Energy: 2.6925986049805886
Energy: 2.719428003471293
Energy: 2.691609705889578
Energy: 2.6866228345357457
Energy: 2.4412443860631963
Energy: 2.4510918214135002
Energy: 2.4891419492456404
Energy: 2.4742402661683607
Energy: 2.5013894443322213
Energy: 2.453850272987435
Energy: 2.447833290104194
Energy: 2.686248818271348
Energy: 2.8894157517830514
Energy: 2.4395403748165343
Energy: 2.8865684520334733
Energy: 2.6868233087208955
Energy: 2.448750920767525
Energy: 2.4518996974176823
Energy: 2.4750195091856173
Energy: 2.448077844501371
Energy: 2.6887561575815426
Energy: 2.4584551854219003
Energy: 2.453489145736653
Energy: 2.4727622575456567
Energy: 2.4465746761268448
Energy: 2.478091819047813
Energy: 2.450545845321597
Energy: 2.4765495369708352
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Energy: 2.445036285827135
Energy: 2.4768541089812475
Energy: 2.4401412883468048
Energy: 2.4528805542886905
Energy: 2.480814600325266
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Energy: 2.4538223258363723
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Energy: 2.4521796896707335
Energy: 2.4493389134913155
Energy: 2.4541449778167204
Energy: 2.4520226630897195
Energy: 2.4666710839623054
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Energy: 2.43423091920655
Energy: 2.451195765093106
Energy: 2.4835678688902143
Energy: 2.4367753713928497
Energy: 2.478057668446139
Energy: 2.4565984350447123
Energy: 2.443590319741935
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Energy: 2.4493004001621723
Energy: 2.4422004875840457
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Energy: 2.455106196346171
Energy: 2.454236529187142
Energy: 2.4524505544747184
Energy: 2.45449696584953
Energy: 2.4519359487578574
Energy: 2.4926561204270143
Energy: 2.427608352782545
Energy: 2.475582226352946
Energy: 2.449212375510276
Energy: 2.460997321508498
Energy: 2.4422445743279244
Energy: 2.4734879570422015
Energy: 2.5070365178474963
Energy: 2.468080189405191
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Energy: 2.450781683344375
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Energy: 2.450467150626502
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Energy: 2.4719088483977485
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Energy: 2.4686560153912787
Energy: 2.4415456115809167
Energy: 2.4484754252409053
Energy: 2.4607322665719633
Energy: 2.451673068940727
Energy: 2.45042621274612
Energy: 2.4509339132437185
Energy: 2.4716243473028783
Energy: 2.4942349884245485
Energy: 2.4784846538908822
Energy: 2.433993944906318
Energy: 2.48069660910096
Energy: 2.4845083673552892
Energy: 2.476040011000538
Energy: 2.493576355878712
Energy: 2.461537049585989
Energy: 2.45271317769735
Energy: 2.477457311090181
Energy: 2.484451448741932
Energy: 2.440115243329969
Energy: 2.691389913394949
Energy: 2.4611305128101626
Energy: 2.443753735075623
Energy: 2.6879379422697647
Energy: 2.6941083921733333
Energy: 2.4740865776796928
Energy: 2.475531219996583
Energy: 2.6875708625871013
Energy: 2.449482002919505
Energy: 2.6891044093008682
Energy: 2.4849388503033247
Energy: 2.4425182646195083
Energy: 2.690044364256679
Energy: 2.685880369343553
Energy: 2.4494734567766723
Energy: 2.8955922562413656
Energy: 2.4775645875156607
Energy: 2.4406112557658344
Energy: 2.88771313394674
Energy: 2.4496216425559663
Energy: 2.445774111333336
Energy: 2.68893554585117
Energy: 2.691653763757647
Energy: 2.475857595783399
Energy: 2.47688737622234
Energy: 2.4776076881805804
Energy: 2.4657421565892865
Energy: 2.449441473731606
Energy: 2.4846503767505856
Energy: 2.4461820588451277
Energy: 2.4935603499397883
Energy: 2.4817757667394797
Energy: 2.450681149947106
Energy: 2.4778111375677185
Energy: 2.484486349677576
Energy: 2.444984738780566
Energy: 2.4491626080495674
Energy: 2.4611993087521262
Energy: 2.451446457058398
Energy: 2.4514662890755394
Energy: 2.450788048846391
Energy: 2.4476361869565526
Energy: 2.449168373725849
Energy: 2.4899031988203424
Energy: 2.475270862700262
Energy: 2.4759481867937945
Energy: 2.4506176218719595
Energy: 2.444365421413266
Energy: 2.464156133346521
Energy: 2.449768377073721
Energy: 2.442185301156088
Energy: 2.480928053072622
Energy: 2.4500356987430885
Energy: 2.4601358214490032
Energy: 2.453905171446948
Energy: 2.4504013127146766
Energy: 2.4431783979059634
Energy: 2.4806173166765113
Energy: 2.462022887367905
Energy: 2.4559105099031284
Energy: 2.480314351501419
Energy: 2.4648218938917017
Energy: 2.457982151340606
Energy: 2.4767979960700126
Energy: 2.4233662116461634

minimum gb energy = 2.4233662116461634 eV
minimum distance =  2.56778971649827 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01931376333448794
Energy: -0.010340201011040287
Energy: -0.002648158404060899
Energy: -0.016275115706832332
Energy: -0.005398670770203578
Energy: 0.014853601764141423
Energy: 0.25535123668123055
Energy: 0.22586727596914433
Energy: 0.23566554007534332
Energy: 0.2533231226683579
Energy: 0.21761342011882234
Energy: 0.24060721615224548
Energy: 1.53633151641841
Energy: -0.0017731269330345685
Energy: 0.014016186458855799
Energy: 0.02015748768335587
Energy: -0.010138710758736782
Energy: -0.0017940040204331286
Energy: 0.020243789796964097
Energy: 0.22586727596859038
Energy: 0.23566554007648383
Energy: 0.2533231226700849
Energy: 0.21761342011882234
Energy: 0.2406072161545264

minimum gb energy = -0.016275115706832332 eV
minimum distance =  2.69584497963009 Angstroms
sigma value = 1