Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607352703809738
cohesive_energy=3.5352136626369166
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013747538508152007
Energy: 0.015126596277838246
Energy: 1.9615975426726637
Energy: 0.015126596277208368
Energy: 0.015126596277838246
Energy: 1.4751499456736947
Energy: 0.015126596277208368
Energy: 1.4751499456736947
Energy: 1.9615975426726637
Energy: 0.015126596277208368
Energy: 0.013747538508152007
Energy: 0.015126596277838246
Energy: 0.015126596277208368
Energy: 1.4751499456736947
Energy: 0.015126596277838246
Energy: 1.475149945674325

minimum gb energy = 0.013747538508152007 eV
minimum distance =  2.44146058318971 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4633265646490758
Energy: 1.5467801254095215
Energy: 1.3783323616865628
Energy: 1.5467801254087923
Energy: 1.4039083557305776
Energy: 1.5375700144311248
Energy: 1.4019877086785792
Energy: 1.537570014430361
Energy: 1.2394081643150847
Energy: 1.532044170902134
Energy: 1.399355622503349
Energy: 1.532044170900606
Energy: 1.3861676037869586
Energy: 1.5573693766703387
Energy: 1.3956375778825654
Energy: 1.5573693766718666
Energy: 1.3894132947568612
Energy: 1.547550672189111
Energy: 1.3166215159945613
Energy: 1.547550672186819
Energy: 1.3355028055229667
Energy: 1.4967038529989103
Energy: 1.3742393777531845
Energy: 1.496703853001966
Energy: 1.4043972228802963
Energy: 1.5319487454693326
Energy: 1.3368472452885078
Energy: 1.5319487454693326
Energy: 1.250428257803847
Energy: 1.5471570582724314
Energy: 1.3678386691785525
Energy: 1.5471570582731953
Energy: 1.3957463973577815
Energy: 1.4047799670589705
Energy: 1.3850383877995585
Energy: 1.4047799670574428
Energy: 1.3802135901108838
Energy: 1.5315753487866874
Energy: 1.241381327743317
Energy: 1.5315753487874515
Energy: 1.3857716566402365
Energy: 1.4974037864637462
Energy: 1.3955704332433845
Energy: 1.4974037864637462
Energy: 1.3770484280182524
Energy: 1.5471404754829226
Energy: 1.393997806734623
Energy: 1.5471404754798668
Energy: 1.4005487363242657
Energy: 1.5318831683982843
Energy: 1.407421378682982
Energy: 1.5318831683990481
Energy: 1.4003387773064213
Energy: 1.5389595510106968
Energy: 1.3904532581196454
Energy: 1.5389595510114609
Energy: 1.32460472641749
Energy: 1.5474267524188414
Energy: 1.3982347728346127
Energy: 1.5474267524188414
Energy: 1.3143853494333309
Energy: 1.5473948256768866
Energy: 1.3983026392840603
Energy: 1.5473948256753587
Energy: 1.3999971461697667
Energy: 1.5319272426145099
Energy: 1.3078114270956958
Energy: 1.5319272426160375
Energy: 1.402180027477432
Energy: 1.5321297176158775
Energy: 1.402980600098521
Energy: 1.5321297176166413
Energy: 1.3083838383581812
Energy: 1.5468040072466296
Energy: 1.4183927904395806
Energy: 1.5468040072473932
Energy: 1.4023133251329083
Energy: 1.4051757076744738
Energy: 1.3977028768833932
Energy: 1.4051757076752376
Energy: 1.376883724342668
Energy: 1.5318679834068207
Energy: 1.3234683227503543
Energy: 1.5318679834091125
Energy: 1.396002223648345
Energy: 1.5086496653783419
Energy: 1.386078469257515
Energy: 1.5086496653791057
Energy: 1.2496188307742195
Energy: 1.5475702504782407
Energy: 1.3202257134675253
Energy: 1.5475702504805324
Energy: 1.3743008397415328
Energy: 1.5327493855661196
Energy: 1.3356486945892707
Energy: 1.5327493855661196
Energy: 1.3368500220703419
Energy: 1.4935340682911005
Energy: 1.4044804437751766
Energy: 1.493534068288809
Energy: 1.3868019569913321
Energy: 1.5471781691147841
Energy: 1.2503486375174986
Energy: 1.5471781691170756
Energy: 1.3959705331475347
Energy: 1.5377309309572833
Energy: 1.3952512567904232
Energy: 1.5377309309588112
Energy: 1.2390363822882287
Energy: 1.5317778888409543
Energy: 1.3986403974912072
Energy: 1.5317778888409543
Energy: 1.4013269833839648
Energy: 1.5407716785198595
Energy: 1.386491794373702
Energy: 1.540771678522915
Energy: 1.4185358843566098
Energy: 1.5468837786277359
Energy: 1.3780320765203917
Energy: 1.5468837786262082
Energy: 1.4132009700160821
Energy: 1.5377445531697185
Energy: 1.400342944156746
Energy: 1.5377445531712464
Energy: 1.3757303112296935
Energy: 1.532289021445529
Energy: 1.4011937595471469
Energy: 1.5322890214493483
Energy: 1.3892064501772325
Energy: 1.5571007792274827
Energy: 1.3990586519828894
Energy: 1.557100779231302

minimum gb energy = 1.2390363822882287 eV
minimum distance =  2.25474372286103 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.5674289839273994
Energy: 1.6644760935811715
Energy: 1.4790269419107847
Energy: 1.6644760935863976
Energy: 1.4862810370896757
Energy: 1.6066518017558604
Energy: 1.4895987669307946
Energy: 1.6066518017532474
Energy: 1.3233199508950033
Energy: 1.6642778273183771
Energy: 1.497674633808942
Energy: 1.664277827320119
Energy: 1.4806071074600702
Energy: 1.5901999749486013
Energy: 1.418165978049063
Energy: 1.5901999749546984
Energy: 1.481131750215898
Energy: 1.6432764686491623
Energy: 1.4426780457491786
Energy: 1.6432764686491623
Energy: 1.5012045823385811
Energy: 1.6433558715468615
Energy: 1.4845449112933051
Energy: 1.6433558715477328
Energy: 1.48115654287914
Energy: 1.5884211418203713
Energy: 1.497204460107495
Energy: 1.5884211418255973
Energy: 1.3231202255834986
Energy: 1.6644028313326098
Energy: 1.442852567807293
Energy: 1.6644028313317385
Energy: 1.4819511921331707
Energy: 1.5155416613741128
Energy: 1.4895512936393247
Energy: 1.515541661374984
Energy: 1.5213534877329051
Energy: 1.6648015350488663
Energy: 1.411143822005677
Energy: 1.6648015350479954
Energy: 1.4810784407670787
Energy: 1.6411787519535193
Energy: 1.4901068683877081
Energy: 1.6411787519543901
Energy: 1.403281260227855
Energy: 1.6540801356512806
Energy: 1.4960569006815378
Energy: 1.6540801356530226
Energy: 1.5088515081243763
Energy: 1.6426359851116636
Energy: 1.4442027715986392
Energy: 1.6426359851073085
Energy: 1.5089175783313566
Energy: 1.6426090644604794
Energy: 1.405857015580075
Energy: 1.6426090644596478
Energy: 1.4032459721551507
Energy: 1.6542627337373152
Energy: 1.4961145770546964
Energy: 1.6542627337294762
Energy: 1.4810238838630314
Energy: 1.6412761311284683
Energy: 1.4975293113678487
Energy: 1.6412761311223714
Energy: 1.521294547955944
Energy: 1.6647561434998586
Energy: 1.3634390208354368
Energy: 1.664756143494672
Energy: 1.4818677074415794
Energy: 1.515647097823392
Energy: 1.489562905661453
Energy: 1.5156470978190373
Energy: 1.3231321512448035
Energy: 1.6645785952436418
Energy: 1.4739575808717582
Energy: 1.664578595242771
Energy: 1.481141551048649
Energy: 1.588334815468396
Energy: 1.4265194190161254
Energy: 1.5883348154727512
Energy: 1.5012285652098074
Energy: 1.6437490846289498
Energy: 1.4019227949731599
Energy: 1.6437490846341758
Energy: 1.4811186818065203
Energy: 1.6430951083216514
Energy: 1.406703068520174
Energy: 1.6430951083268772
Energy: 1.4806040759695311
Energy: 1.589923640940698
Energy: 1.496871125757563
Energy: 1.589923640946795
Energy: 1.3232957924174817
Energy: 1.6644381989355843
Energy: 1.497599468124789
Energy: 1.664438198939939
Energy: 1.4863148431106508
Energy: 1.6067421866923643
Energy: 1.4896756335078842
Energy: 1.606742186696719
Energy: 1.5674289839308835
Energy: 1.6644760935820426
Energy: 1.4833960390922092
Energy: 1.6644760935872684
Energy: 1.4862810370896757
Energy: 1.6066518017558604
Energy: 1.4895987669316657
Energy: 1.6066518017541187
Energy: 1.3233199508941325
Energy: 1.6642778273183771
Energy: 1.3370040215390058
Energy: 1.6642778273209902
Energy: 1.4806071074609413
Energy: 1.5901999749477305
Energy: 1.418165978049063
Energy: 1.5901999749538271

minimum gb energy = 1.3231202255834986 eV
minimum distance =  2.23695790565349 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6836621809670538
Energy: 1.7740801292206096
Energy: 1.5648223230386704
Energy: 1.7740801292206096
Energy: 1.5264446490986676
Energy: 1.7194327790664783
Energy: 1.6034487897073686
Energy: 1.7194327790654655
Energy: 1.4203211293155646
Energy: 1.8082257342489487
Energy: 1.6034143854582417
Energy: 1.8082257342479364
Energy: 1.591683273157758
Energy: 1.7394953157254778
Energy: 1.5268347007093905
Energy: 1.7394953157285151
Energy: 1.525552317243939
Energy: 1.7739693705031427
Energy: 1.5628538599217936
Energy: 1.7739693705041553
Energy: 1.63511458820844
Energy: 1.8077101923889862
Energy: 1.6053285908096153
Energy: 1.8077101923899987
Energy: 1.606318411729115
Energy: 1.6130120090536977
Energy: 1.5611807569191143
Energy: 1.6130120090547102
Energy: 1.6222498772602096
Energy: 1.7740937257987563
Energy: 1.4426376188135313
Energy: 1.7740937258007814
Energy: 1.5604719064252872
Energy: 1.7098896904886052
Energy: 1.6064126928411067
Energy: 1.7098896904896177
Energy: 1.6030324419997792
Energy: 1.8084469699738694
Energy: 1.5127929658226758
Energy: 1.808446969974882
Energy: 1.55908529616251
Energy: 1.7737644548860152
Energy: 1.6027019536227445
Energy: 1.7737644548850027
Energy: 1.527366947204669
Energy: 1.774227452887871
Energy: 1.6026795263411402
Energy: 1.7742274528888837
Energy: 1.6036034231183174
Energy: 1.7359061354143943
Energy: 1.5132966377579136
Energy: 1.7359061354184444
Energy: 1.5611603758820911
Energy: 1.6323681711272524
Energy: 1.606337725396431
Energy: 1.6323681711272524
Energy: 1.512172715958422
Energy: 1.7742424848111331
Energy: 1.4402472337134853
Energy: 1.7742424848121459
Energy: 1.6033712471749069
Energy: 1.6128005689963834
Energy: 1.5255100514150708
Energy: 1.6128005689963834
Energy: 1.4196339118593295
Energy: 1.808343411697387
Energy: 1.419587034866242
Energy: 1.808343411697387
Energy: 1.5271201854175
Energy: 1.7743863374353384
Energy: 1.5913468885491
Energy: 1.7743863374363509
Energy: 1.590616414730341
Energy: 1.737230631883685
Energy: 1.5259249516582354
Energy: 1.737230631883685
Energy: 1.5246008342412218
Energy: 1.8076824781468444
Energy: 1.6066166427330286
Energy: 1.8076824781468444
Energy: 1.618016880277319
Energy: 1.714425354128285
Energy: 1.6060109422110367
Energy: 1.71442535413031
Energy: 1.6313507687876416
Energy: 1.7739209073933346
Energy: 1.6071382151622695
Energy: 1.7739209073933346
Energy: 1.6060925183594155
Energy: 1.7170183701547264
Energy: 1.6032425968753687
Energy: 1.717018370153714
Energy: 1.4205884509259707
Energy: 1.8081069270093815
Energy: 1.603020897341773
Energy: 1.808106927010394
Energy: 1.60293729775336
Energy: 1.7380235615707202
Energy: 1.5275492414719787
Energy: 1.7380235615707202

minimum gb energy = 1.419587034866242 eV
minimum distance =  2.23665255486863 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.8324813038214842
Energy: 1.7960511554294945
Energy: 1.7579602105232959
Energy: 1.7960511554294945
Energy: 1.6705321505787487
Energy: 1.8640576075147095
Energy: 1.7255103301269306
Energy: 1.8640576075122939
Energy: 1.5259310846666996
Energy: 1.7958160610475544
Energy: 1.7246273768486415
Energy: 1.7958160610475544
Energy: 1.7421340393819222
Energy: 1.9291280900390921
Energy: 1.5660914373342787
Energy: 1.9291280900415078
Energy: 1.788220849379617
Energy: 1.8643105257404229
Energy: 1.7248882005792299
Energy: 1.864310525738007
Energy: 1.524786195856847
Energy: 1.7596676264254174
Energy: 1.5554048334508486
Energy: 1.7596676264242095
Energy: 1.7456926106821788
Energy: 1.5665972038887421
Energy: 1.569624067875744
Energy: 1.5665972038887421
Energy: 1.6519762781846987
Energy: 1.756158733321071
Energy: 1.556343795485694
Energy: 1.7561587333186828
Energy: 1.7463237261252662
Energy: 1.8643610171778202
Energy: 1.7269415558799466
Energy: 1.8643610171778202
Energy: 1.7413046992774266
Energy: 1.7452869520737375
Energy: 1.5664028470970797
Energy: 1.7452869520749454
Energy: 1.6340120056675216
Energy: 1.9001268535519735
Energy: 1.6486844363948714
Energy: 1.9001268535507658
Energy: 1.741692332053727
Energy: 1.7963367779219206
Energy: 1.5661662617620495
Energy: 1.7963367779219206
Energy: 1.5256689632546374
Energy: 1.7965578033597271
Energy: 1.6339338445917042
Energy: 1.7965578033585192
Energy: 1.6265888592190088
Energy: 1.756244736464781
Energy: 1.7256880605172862
Energy: 1.756244736464781
Energy: 1.5256665636744375
Energy: 1.7968835492157398
Energy: 1.6517514760396295
Energy: 1.7968835492145319
Energy: 1.741716726230406
Energy: 1.7952543842080027
Energy: 1.566015771910311
Energy: 1.795254384210418
Energy: 1.6340510615659936
Energy: 1.9001071074207991
Energy: 1.7246565361529478
Energy: 1.9001071074183833
Energy: 1.741241696487519
Energy: 1.7450804203779715
Energy: 1.5664349712567838
Energy: 1.7450804203779715
Energy: 1.7463356273487183
Energy: 1.8643421780076193
Energy: 1.7245525488001705
Energy: 1.8643421780076193
Energy: 1.651974408441682
Energy: 1.7561991112705282
Energy: 1.5564931987703174
Energy: 1.7561991112681123
Energy: 1.745640067572832
Energy: 1.566584890820559
Energy: 1.56951832384177
Energy: 1.566584890820559

minimum gb energy = 1.524786195856847 eV
minimum distance =  2.31770622234063 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.6724486015384405
Energy: 2.0522257899176592
Energy: 1.802642993583696
Energy: 2.0522257899176592
Energy: 1.6549894202939095
Energy: 1.890033634820401
Energy: 1.6397708530285529
Energy: 1.8900336348218947
Energy: 1.6417056863232786
Energy: 2.0790665149574026
Energy: 1.639616905125979
Energy: 2.0790665149574026
Energy: 1.6682818334369391
Energy: 1.6405730362153101
Energy: 1.790655033937262
Energy: 1.6405730362138167
Energy: 1.7916003178057054
Energy: 1.6543964162931537
Energy: 1.7215708932691742
Energy: 1.6543964162931537
Energy: 1.6412805159799946
Energy: 2.082192896395005
Energy: 1.6413345149223315
Energy: 2.082192896395005
Energy: 1.7214786535424687
Energy: 1.659152078515286
Energy: 1.6397238935920593
Energy: 1.6591520785123326
Energy: 1.7902307478889772
Energy: 2.0535818126222245
Energy: 1.667645512341021
Energy: 2.053581812623718
Energy: 1.6397543069979124
Energy: 1.8899450213635982
Energy: 1.6541151810880053
Energy: 1.8899450213621045
Energy: 1.8434526542812095
Energy: 1.6864980096321975
Energy: 1.6407333209813293
Energy: 1.6864980096336912
Energy: 1.709270561607866
Energy: 2.05508197758629
Energy: 1.934511977907469
Energy: 2.0550819775847966
Energy: 1.6399342313004417
Energy: 1.6866512276842267
Energy: 1.8438336200062428
Energy: 1.6866512276842267
Energy: 1.8036880781312956
Energy: 1.6698527156993856
Energy: 1.6407701987273582
Energy: 1.6698527157008793
Energy: 1.6394688085008282
Energy: 1.6586104050141144
Energy: 1.6684714144534527
Energy: 1.6586104050156083
Energy: 1.6394950551969023
Energy: 2.0544995111918314
Energy: 1.7923281914108793
Energy: 2.0544995111933257
Energy: 1.6543740873437698
Energy: 1.734996055333267
Energy: 1.641057799010534
Energy: 1.7349960553317731
Energy: 1.6397807470866368
Energy: 1.7676003298066454
Energy: 1.8442325019878876
Energy: 1.767600329808139

minimum gb energy = 1.6394688085008282 eV
minimum distance =  2.30253847030703 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.9091845070558047
Energy: 1.9050358550460076
Energy: 1.9890394786719707
Energy: 1.9050358550434696
Energy: 1.8414711325294433
Energy: 1.7838954212250844
Energy: 1.6868061039811844
Energy: 1.7838954212259304
Energy: 1.8305666737719093
Energy: 1.7946817411065472
Energy: 1.6865525586785834
Energy: 1.7946817411082392
Energy: 1.6904452625180517
Energy: 1.702252693280113
Energy: 1.7863005453906393
Energy: 1.702252693280113
Energy: 1.867608366454499
Energy: 1.7929049611774397
Energy: 1.6869760608068713
Energy: 1.7929049611782857
Energy: 1.7033171362141322
Energy: 1.7358754044731544
Energy: 1.8184207353837112
Energy: 1.735875404475692
Energy: 1.689117265663961
Energy: 1.7817422385676775
Energy: 1.6866334495107669
Energy: 1.7817422385676775
Energy: 1.8204537464379547
Energy: 1.7020619960586898
Energy: 1.6970406614224338
Energy: 1.7020619960595358
Energy: 1.6977141968318457
Energy: 1.8468981398368522
Energy: 1.8728333591266315
Energy: 1.84689813983939
Energy: 1.962956940768737
Energy: 1.7546068981471399
Energy: 1.6869341860544091
Energy: 1.7546068981479859
Energy: 1.6940875106286766
Energy: 1.7009177202128523
Energy: 1.8353529085645102
Energy: 1.7009177202128523
Energy: 1.697415563701941
Energy: 1.7819126595504093
Energy: 1.697269211141765
Energy: 1.7819126595478711
Energy: 1.834737233006273
Energy: 1.7015100573223338
Energy: 1.6961529660613053
Energy: 1.7015100573240258
Energy: 1.6869962580654505
Energy: 1.8562345119218082
Energy: 1.8415313987753434
Energy: 1.8562345119243462
Energy: 1.803943480780464
Energy: 1.7818701836355884
Energy: 1.6978517308641967
Energy: 1.7818701836355884
Energy: 1.828512190671286
Energy: 1.7015187785830028
Energy: 1.8204834767092255
Energy: 1.7015187785838488
Energy: 1.6870857042265817
Energy: 1.8296845534482427
Energy: 1.9666647603902148
Energy: 1.8296845534499349
Energy: 1.8593074472681486
Energy: 1.69297461950126
Energy: 1.7032357341240458
Energy: 1.692974619502106
Energy: 1.7312537032477506
Energy: 1.7832432302445935
Energy: 1.8053341968420344
Energy: 1.7832432302462855
Energy: 1.686528947461364
Energy: 1.7020226268816725
Energy: 1.6910088354493014
Energy: 1.7020226268833643
Energy: 1.7543032242566579
Energy: 1.6917484707119925
Energy: 1.8301852033779353
Energy: 1.6917484707128385
Energy: 1.687192931702975
Energy: 1.8747993426930578
Energy: 1.9667668123280992
Energy: 1.8747993426930578
Energy: 1.8892947300836245
Energy: 1.701774449621545
Energy: 1.688512047987452
Energy: 1.701774449619007
Energy: 1.6963511565850886
Energy: 1.781859660812443
Energy: 1.8325770880661836
Energy: 1.781859660810751
Energy: 1.6962097368054088
Energy: 1.7951238176794169
Energy: 1.8311810961703474
Energy: 1.7951238176785707
Energy: 1.8559629120547738
Energy: 1.7026067080535945
Energy: 1.6897633172300577
Energy: 1.7026067080535945
Energy: 1.7325594893888927
Energy: 1.8746913617283316
Energy: 2.002415759511842
Energy: 1.8746913617266394
Energy: 1.8183646384332457
Energy: 1.6982346462268092
Energy: 1.8319219951705221
Energy: 1.6982346462301932
Energy: 1.9431131578664245
Energy: 1.8643777931749663
Energy: 1.6936627364041823
Energy: 1.8643777931749663
Energy: 1.6970186584604705
Energy: 1.8445538989763273
Energy: 1.8598460946244153
Energy: 1.8445538989780192

minimum gb energy = 1.686528947461364 eV
minimum distance =  2.2978194642268 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6584270905281078
Energy: 1.6558837363878902
Energy: 2.1615476245281355
Energy: 1.6558837363878902
Energy: 1.893360512238024
Energy: 1.770840053455326
Energy: 1.7058459774631973
Energy: 1.770840053455326
Energy: 1.659866635502219
Energy: 1.6553486229413432
Energy: 1.9028137350991665
Energy: 1.6553486229393954
Energy: 1.6598478016101237
Energy: 1.6553881381303177
Energy: 1.7514404918725317
Energy: 1.6553881381322653
Energy: 1.8933191902684596
Energy: 1.770853669618526
Energy: 1.7058225281699486
Energy: 1.770853669618526
Energy: 1.6584270905281078
Energy: 1.6558837363859424
Energy: 1.9298931041750218
Energy: 1.6558837363878902
Energy: 1.8933605122419193
Energy: 1.770840053455326
Energy: 1.8461604196659198
Energy: 1.770840053455326
Energy: 1.6598666355002716
Energy: 1.6553486229393954
Energy: 1.902813735114703
Energy: 1.6553486229393954
Energy: 1.6598478016101237
Energy: 1.6553881381303177
Energy: 1.8453738680448282
Energy: 1.6553881381322653
Energy: 1.893319190266512
Energy: 1.7708536696165784
Energy: 1.770058480853451
Energy: 1.7708536696165784
Energy: 1.6584270905262044
Energy: 1.6558837363878902
Energy: 2.066261438941927
Energy: 1.6558837363878902
Energy: 1.8933605122419193
Energy: 1.770840053455326
Energy: 1.8461604196581294
Energy: 1.770840053455326
Energy: 1.659866635502219
Energy: 1.6553486229413432
Energy: 1.9028137350991665
Energy: 1.6553486229393954

minimum gb energy = 1.6553486229393954 eV
minimum distance =  2.28821363896916 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.7845794254505065
Energy: 1.93021473731588
Energy: 2.1672908312537524
Energy: 1.9302147373151595
Energy: 1.92501499611947
Energy: 1.8224359805362025
Energy: 1.7349407753878416
Energy: 1.8224359805354817
Energy: 1.732155683972416
Energy: 1.7677152514777914
Energy: 1.7474251240980043
Energy: 1.7677152514763497
Energy: 1.8661622982277823
Energy: 1.9854443957957084
Energy: 1.7352672202691177
Energy: 1.9854443957949877
Energy: 1.9395592461276032
Energy: 1.8500809224374422
Energy: 1.740121028248535
Energy: 1.8500809224374422
Energy: 1.7697327548583737
Energy: 1.7676832576431272
Energy: 1.858894123702037
Energy: 1.7676832576460106
Energy: 2.1279456186454593
Energy: 1.845326949559158
Energy: 1.74556387562359
Energy: 1.8453269495577163
Energy: 1.7401457926674164
Energy: 1.9562601978854655
Energy: 1.885479008276121
Energy: 1.9562601978847445
Energy: 1.7354193918220968
Energy: 1.9988547214678567
Energy: 1.7709893230610951
Energy: 1.9988547214721817
Energy: 1.7331956099709545
Energy: 1.8311422329840015
Energy: 1.7436386812793334
Energy: 1.8311422329847222
Energy: 1.7423108630587387
Energy: 1.8807974825058822
Energy: 2.083697762556847
Energy: 1.880797482502999
Energy: 1.9029167443952153
Energy: 1.9766410702712922
Energy: 1.738251613634187
Energy: 1.9766410702705712
Energy: 1.7353802452817042
Energy: 1.8425326533927793
Energy: 1.998650548031847
Energy: 1.8425326533934998
Energy: 1.871985349852551
Energy: 1.879109760615166
Energy: 1.7873825247808832
Energy: 1.879109760620212
Energy: 1.7432852086577384
Energy: 1.8952820712309417
Energy: 1.883758569429262
Energy: 1.8952820712309417
Energy: 1.738731033710961
Energy: 1.9982043036453356
Energy: 1.8651156456464295
Energy: 1.9982043036453356
Energy: 1.8289437820675154
Energy: 1.8946487661147289
Energy: 1.7429840377752897
Energy: 1.89464876611545
Energy: 1.745766450990922
Energy: 1.8465567586278981
Energy: 1.93735185462816
Energy: 1.846556758628619
Energy: 1.9496474081428656
Energy: 1.8423188071699508
Energy: 1.77054331931687
Energy: 1.8423188071721133
Energy: 1.739102930936337
Energy: 1.8437662987472319
Energy: 1.8458406345019143
Energy: 1.8437662987486736
Energy: 1.8634636902154331
Energy: 1.9803853398727889
Energy: 1.8683881258116708
Energy: 1.9803853398756723
Energy: 1.8497571610022576
Energy: 1.909883955907569
Energy: 1.7334385041109082
Energy: 1.9098839559082903
Energy: 1.770566377547348
Energy: 1.911548627351542
Energy: 1.7354122423269975
Energy: 1.911548627350821
Energy: 2.1360184799782536
Energy: 1.877448079308091
Energy: 1.7398377271725671
Energy: 1.877448079308091
Energy: 1.746336087194103
Energy: 1.9897720807533286
Energy: 2.0307966210701727
Energy: 1.9897720807547705
Energy: 1.7962601829108542
Energy: 1.767665567125372
Energy: 1.7332192653846488
Energy: 1.767665567124651
Energy: 1.8128537104217686
Energy: 1.97217050713208
Energy: 1.8653380868230143
Energy: 1.9721705071356843
Energy: 1.7466359802897837
Energy: 1.986014713739557
Energy: 1.8660507321651538
Energy: 1.986014713740278
Energy: 1.811245928111939
Energy: 1.7674098481273275
Energy: 1.732225575490641
Energy: 1.7674098481280485
Energy: 1.7350741019040643
Energy: 1.9885666957661114
Energy: 2.0311959771354884
Energy: 1.9885666957653907
Energy: 2.089795389432076
Energy: 2.144472307225651
Energy: 1.7389357984775031
Energy: 2.1444723072270926
Energy: 1.7345343948806347
Energy: 1.839302337455579
Energy: 1.7333965671436489
Energy: 1.8393023374563
Energy: 1.7477694877291086
Energy: 1.9083716463571676
Energy: 1.7322108578462903
Energy: 1.9083716463557259
Energy: 1.8632827715995377
Energy: 1.983746385682708
Energy: 1.8658370213767295
Energy: 1.9837463856841495
Energy: 1.7396510179140696
Energy: 1.944415721835219
Energy: 2.128618284651489
Energy: 1.9444157218373816

minimum gb energy = 1.732155683972416 eV
minimum distance =  2.2851329441162 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.908749669469272
Energy: 1.8291705745505915
Energy: 2.0986200066661724
Energy: 1.829170574549448
Energy: 1.8441580516881515
Energy: 1.8924143365484591
Energy: 1.7361611755643396
Energy: 1.8924143365484591
Energy: 1.7419729899023901
Energy: 2.061958292744785
Energy: 1.7512013293196869
Energy: 2.061958292739067
Energy: 1.7270012173486298
Energy: 1.9720915535560803
Energy: 1.7700406986680408
Energy: 1.9720915535572237
Energy: 1.7999742042519753
Energy: 1.8886206677954358
Energy: 1.7497463682430325
Energy: 1.8886206677954358
Energy: 1.7648702174657493
Energy: 2.063761209611691
Energy: 1.9555173032225854
Energy: 2.063761209610547
Energy: 2.1289020572573816
Energy: 1.9478763141531512
Energy: 1.7377152422799333
Energy: 1.947876314150864
Energy: 1.7435985188125955
Energy: 1.7807886585269597
Energy: 2.072264871069489
Energy: 1.7807886585292472
Energy: 2.047109955351095
Energy: 1.7386253997166534
Energy: 1.7392399114515706
Energy: 1.738625399714366
Energy: 1.7395995440303005
Energy: 1.8656150644701135
Energy: 1.73917074960597
Energy: 1.865615064471257
Energy: 1.745506933093539
Energy: 1.739375340588705
Energy: 1.970349209585026
Energy: 1.739375340588705
Energy: 1.9386625632425158
Energy: 1.9683529031462719
Energy: 1.726188251881214
Energy: 1.9683529031485592
Energy: 1.7658040808574218
Energy: 1.8639903851455466
Energy: 2.098812098874204
Energy: 1.8639903851489776
Energy: 2.025813080708172
Energy: 1.9498968387308424
Energy: 1.7645738607432853
Energy: 1.9498968387331297
Energy: 1.744644966781497
Energy: 1.9751000442030475
Energy: 1.9976134023581982
Energy: 1.975100044205335
Energy: 1.9700092104157836
Energy: 1.7799775753475944
Energy: 1.7440785672722814
Energy: 1.7799775753430196
Energy: 1.828394534911683
Energy: 1.828549488235528
Energy: 1.7422033564420647
Energy: 1.828549488235528
Energy: 1.8275882391611644
Energy: 1.9907692473898477
Energy: 1.741421136629751
Energy: 1.9907692473898477
Energy: 1.7221965454735677
Energy: 1.7817460597052108
Energy: 1.7425730778387638
Energy: 1.7817460597040673
Energy: 1.7362531978600506
Energy: 1.873100149890509
Energy: 2.1358343602671543
Energy: 1.873100149890509
Energy: 1.9905473855904263
Energy: 2.0612767655337034
Energy: 1.7644547468140523
Energy: 2.0612767655348474
Energy: 1.7703027797769484
Energy: 1.8957869927939628
Energy: 1.8460486240900948
Energy: 1.89578699279625

minimum gb energy = 1.7221965454735677 eV
minimum distance =  2.25740003488103 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.8181213770403593
Energy: 1.8137081520307934
Energy: 2.0652749225364277
Energy: 1.8137081520259413
Energy: 2.1008753857467375
Energy: 1.865890296128522
Energy: 1.7726531498690565
Energy: 1.8658902961382262
Energy: 1.758143226016471
Energy: 1.8088095735483298
Energy: 1.7691131175934252
Energy: 1.8088095735442864
Energy: 1.7574268560464532
Energy: 1.8823994614305002
Energy: 1.772803754736868
Energy: 1.8823994614272654
Energy: 1.7587544910698245
Energy: 1.8758569660100062
Energy: 1.7686527449096008
Energy: 1.8758569660075801
Energy: 1.7569961092415776
Energy: 1.7728667859853602
Energy: 1.9989314370801525
Energy: 1.7728667859869776
Energy: 1.939886005671538
Energy: 1.948133424020816
Energy: 1.7682226412010262
Energy: 1.948133424020816
Energy: 1.7565807801175926
Energy: 1.7729581717667477
Energy: 2.0287849426708453
Energy: 1.7729581717699827
Energy: 1.9779269902259693
Energy: 1.8624201298947156
Energy: 1.774069495122604
Energy: 1.8624201298979501
Energy: 1.7568555468135594
Energy: 1.8894487930025503
Energy: 1.911116271283102
Energy: 1.889448793005785
Energy: 1.763670298264456
Energy: 2.0066198527112253
Energy: 1.763248971760537
Energy: 2.0066198527120345
Energy: 1.779020890418359
Energy: 1.8768047857033694
Energy: 1.759647515567197
Energy: 1.8768047857025973
Energy: 1.770799642946687
Energy: 1.7787937516036882
Energy: 1.7634753678929043
Energy: 1.778793751601299
Energy: 1.7709688177501108
Energy: 1.8018892691501562
Energy: 1.758969069043193
Energy: 1.801889269148539
Energy: 1.754957938611471
Energy: 1.9861811228882644
Energy: 1.9334171995230953
Energy: 1.9861811228906907
Energy: 2.1915810431044767
Energy: 1.8015136881931053
Energy: 1.774254732220252
Energy: 1.8015136881963398
Energy: 1.7548820259191813
Energy: 1.8733064155017822
Energy: 1.8111221427996123
Energy: 1.8733064155074428
Energy: 1.7649292122116362
Energy: 1.8136061918575024
Energy: 1.759421099844091
Energy: 1.8136061918518411
Energy: 1.7554321064916614
Energy: 2.0079173838848816
Energy: 1.7632043959774284
Energy: 2.0079173838856903
Energy: 1.7567834235198807
Energy: 1.8739732788514811
Energy: 1.7599887028858703
Energy: 1.873973278846629
Energy: 1.7633295932907993
Energy: 2.0070903559500692
Energy: 1.7741133186253055
Energy: 2.007090355954922
Energy: 1.7566838745943958
Energy: 1.8065583456974046
Energy: 1.9137138074752922
Energy: 1.8065583457022567
Energy: 2.047479716571386
Energy: 1.8621967546605502
Energy: 1.7626491514448
Energy: 1.8621967546597415
Energy: 1.8147711571763137
Energy: 1.772186147293227
Energy: 1.999081721664791
Energy: 1.7721861472940357
Energy: 1.7859592755238392
Energy: 1.8743017751654838
Energy: 1.7632501984319642
Energy: 1.8743017751630577
Energy: 1.7578328476321978
Energy: 2.003155302893855
Energy: 1.7558487687509243
Energy: 2.003155302891429
Energy: 1.7584183062266414
Energy: 1.8926314114791551
Energy: 1.899531512578193
Energy: 1.8926314114775378
Energy: 1.7572885916797738
Energy: 1.8731902901875654
Energy: 1.7725761147826726
Energy: 1.8731902901908002
Energy: 1.7575458752247355
Energy: 1.813757291192581
Energy: 1.9055086769192673
Energy: 1.8137572911885376
Energy: 1.8257487361782898
Energy: 1.7942339057455914
Energy: 1.77274363127337
Energy: 1.7942339057415482
Energy: 1.7575835181451733
Energy: 1.8138181000583122
Energy: 2.0461786783775904
Energy: 1.8138181000542688

minimum gb energy = 1.7548820259191813 eV
minimum distance =  2.24339495674273 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.7446707353836006
Energy: 1.7171153292416412
Energy: 1.994505345406062
Energy: 1.7171153292413597
Energy: 1.7037167147567136
Energy: 1.74333955011822
Energy: 1.7443236524173504
Energy: 1.7433395501163107
Energy: 1.711121197373827
Energy: 1.851367424921898
Energy: 1.7006187653959577
Energy: 1.8513674249227434
Energy: 1.7447036575166
Energy: 1.8104959690005835
Energy: 1.7449256601532233
Energy: 1.8104959687877824
Energy: 1.745102398316997
Energy: 1.8141029690603834
Energy: 1.6996873606718808
Energy: 1.814102969060665
Energy: 1.6987602812711413
Energy: 1.8571530547095032
Energy: 1.6987602822049759
Energy: 1.8571530547084079
Energy: 1.702099818936584
Energy: 1.8140979751100959
Energy: 1.7450936204291219
Energy: 1.814097975111473
Energy: 1.7453632177527287
Energy: 1.8112567661845695
Energy: 1.7448022913145522
Energy: 1.8112567661862287
Energy: 1.7008705946996754
Energy: 1.851362943839636
Energy: 1.6924393131210702
Energy: 1.8513629438407313

minimum gb energy = 1.6924393131210702 eV
minimum distance =  2.2742613252475 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.6378385961900046
Energy: 1.667922616715996
Energy: 1.904649487559965
Energy: 1.667922616714468
Energy: 1.9028324897057403
Energy: 1.735738411451537
Energy: 1.5800997717766128
Energy: 1.735738411453065
Energy: 1.5784138275502753
Energy: 1.6492750343899607
Energy: 1.9192448015326695
Energy: 1.6492750343869054
Energy: 1.5725363901856357
Energy: 1.7213912650806342
Energy: 1.6032005083420588
Energy: 1.7213912650791061
Energy: 1.6032130225951573
Energy: 1.7316083334500796
Energy: 1.9071610616128665
Energy: 1.7316083334477876
Energy: 1.6432139871555873
Energy: 1.671159401504387
Energy: 1.5801595677707234
Energy: 1.671159401504387
Energy: 1.5790983756834054
Energy: 1.7320644885233238
Energy: 1.5802852768857336
Energy: 1.7320644885202683
Energy: 1.5796370257126606
Energy: 1.673410511645261
Energy: 1.580530149420646
Energy: 1.6734105116467886
Energy: 1.603632644404073
Energy: 1.7326647722741166
Energy: 1.5967587240116898
Energy: 1.732664772271061
Energy: 1.6030444529803671
Energy: 1.7333264609305086
Energy: 1.5696260414610557
Energy: 1.7333264609305086
Energy: 1.595355088285796
Energy: 1.7216958447876645
Energy: 1.5792834021166549
Energy: 1.7216958447869009
Energy: 1.5788816917512578
Energy: 1.752889798624207
Energy: 1.6751330612297195
Energy: 1.7528897986234429
Energy: 1.6433811940521403
Energy: 1.6689634457691578
Energy: 1.665569956004374
Energy: 1.6689634457699218
Energy: 1.6028766150564195
Energy: 1.6679496828409623
Energy: 1.6391621214246956
Energy: 1.667949682841726
Energy: 1.732239408563375
Energy: 1.719053406330367
Energy: 1.578946298484602
Energy: 1.7190534063296032
Energy: 1.60359821469553
Energy: 1.6492503579425628
Energy: 1.6066411037914408
Energy: 1.6492503579379796
Energy: 1.9050300587399214
Energy: 1.6329570839599472
Energy: 1.586823865680576
Energy: 1.6329570839561625
Energy: 1.6029578161808964
Energy: 1.6685710905186126
Energy: 1.7014208319700121
Energy: 1.6685710905178488
Energy: 1.5928310214155716
Energy: 1.7342593532886386
Energy: 1.5792743764803558
Energy: 1.7342593532901667
Energy: 1.5788577510324007
Energy: 1.748147235834637
Energy: 1.6330041764510095
Energy: 1.7481472358361647
Energy: 1.570819284563863
Energy: 1.719203510649509
Energy: 1.6031052261086933
Energy: 1.7192035106510366
Energy: 1.6036391413301307
Energy: 1.7319834261611662
Energy: 1.603834911548635
Energy: 1.73198342616193
Energy: 1.5813442109505538
Energy: 1.6711571310670523
Energy: 1.5706990904424247
Energy: 1.671157131070872
Energy: 1.686598860498275
Energy: 1.6690271283065643
Energy: 1.579262295218109
Energy: 1.6690271283103841
Energy: 1.6793499098183722
Energy: 1.6503285405115993
Energy: 1.582358633139057
Energy: 1.6503285405100712
Energy: 1.6443051494138419
Energy: 1.6680648472358253
Energy: 1.6029342956074195
Energy: 1.66806484723277
Energy: 1.5917754524330852
Energy: 1.7072115850008136
Energy: 1.6268094494775316
Energy: 1.7072115850000498
Energy: 1.6443600614336156
Energy: 1.7232510166075061
Energy: 1.6034591810082253
Energy: 1.7232510166075061
Energy: 1.579584123555421
Energy: 1.6134035700504552
Energy: 1.9165361990055558
Energy: 1.6134035700519829
Energy: 1.8342333398790516
Energy: 1.6684567284163359
Energy: 1.6027693382035484
Energy: 1.668456728414808
Energy: 1.5918684126623286
Energy: 1.6237583714793329
Energy: 1.8343973379321759
Energy: 1.6237583714762773
Energy: 1.9022786184567844
Energy: 1.6671451343098151
Energy: 1.578870447772792
Energy: 1.6671451343082873
Energy: 1.6031819007617174
Energy: 1.7222268460065473
Energy: 1.5727596164822577
Energy: 1.7222268460080752

minimum gb energy = 1.5696260414610557 eV
minimum distance =  2.26333254616026 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.8837216482882788
Energy: 1.5886985647235576
Energy: 1.5412318291016414
Energy: 1.5886985647193328
Energy: 1.6166564482508918
Energy: 1.6718344567737045
Energy: 1.5172006391469082
Energy: 1.6718344567737045
Energy: 1.509374560950727
Energy: 1.5923708599569986
Energy: 1.8638388254153744
Energy: 1.5923708599548863
Energy: 1.5233979266429087
Energy: 1.6717131116178914
Energy: 1.5493290953636691
Energy: 1.6717131116157788
Energy: 1.4792854678406233
Energy: 1.7281467290260477
Energy: 1.9690624086861301
Energy: 1.7281467290271038
Energy: 1.4801496970778842
Energy: 1.6006608292319735
Energy: 1.5493737819828324
Energy: 1.6006608292330298
Energy: 1.5102618603087483
Energy: 1.7279140755036886
Energy: 1.571279552654792
Energy: 1.7279140755026565
Energy: 1.5106824226428435
Energy: 1.601561289329659
Energy: 1.5369344591850291
Energy: 1.6015612893264901
Energy: 1.5968776217055598
Energy: 1.5967489517663798
Energy: 1.5675425774743357
Energy: 1.5967489517642672
Energy: 1.5974366079862892
Energy: 1.8717274997694122
Energy: 1.5371482936824432
Energy: 1.8717274997694122
Energy: 1.5107827973453236
Energy: 1.6010949370241878
Energy: 1.5538239393517737
Energy: 1.601094937021019
Energy: 1.5104904673017978
Energy: 1.728111210498647
Energy: 1.571191364409427
Energy: 1.7281112104965344
Energy: 1.4806051947446512
Energy: 1.5985561966471429
Energy: 1.5500873357826606
Energy: 1.5985561966471429
Energy: 1.479150439373127
Energy: 1.5874573553475617
Energy: 1.5971180725472618
Energy: 1.5874573553454492
Energy: 1.5681726498804225
Energy: 1.665627862744706
Energy: 1.5496520595390884
Energy: 1.6656278627457624
Energy: 1.5092199781516638
Energy: 1.5930963364748556
Energy: 1.532115160238733
Energy: 1.5930963364748556
Energy: 1.7834087335026072
Energy: 1.6056738018164811
Energy: 1.5138108901242895
Energy: 1.6056738018175374
Energy: 1.8837216482872225
Energy: 1.5886985647225011
Energy: 1.8580595434877913
Energy: 1.5886985647203888
Energy: 1.6166564482498356
Energy: 1.6718344567747607
Energy: 1.5172006391469082
Energy: 1.671834456775817
Energy: 1.5093745609528395
Energy: 1.5923708599559425
Energy: 1.8638388254153744
Energy: 1.59237085995383
Energy: 1.5233979266429087
Energy: 1.6717131116189476
Energy: 1.5493290953647254
Energy: 1.6717131116168353
Energy: 1.4792854678395673
Energy: 1.7281467290249914
Energy: 1.9690624086850737
Energy: 1.7281467290249914
Energy: 1.4801496970789405
Energy: 1.6006608292319735
Energy: 1.5493737819828324
Energy: 1.600660829234086
Energy: 1.5102618603129732
Energy: 1.7279140755026565
Energy: 1.5941512618935332
Energy: 1.7279140755026565

minimum gb energy = 1.479150439373127 eV
minimum distance =  2.26432246962748 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.5526393884927776
Energy: 1.548846517733278
Energy: 1.8158653392502229
Energy: 1.5488465177326252
Energy: 1.7840343457163141
Energy: 1.5246323633544658
Energy: 1.4770149768080358
Energy: 1.5246323633557715
Energy: 1.4785169959967512
Energy: 1.5279191139781008
Energy: 1.9722512597909283
Energy: 1.5279191139787536
Energy: 1.5219104233356744
Energy: 1.4746873685239548
Energy: 1.4766615208549188
Energy: 1.4746873685252604
Energy: 1.4615914606345946
Energy: 1.6379032707319783
Energy: 1.7670256616778448
Energy: 1.6379032707345893
Energy: 1.453446361549416
Energy: 1.813278039298691
Energy: 1.5009551198548439
Energy: 1.813278039294774
Energy: 1.4786566295918433
Energy: 1.6126206402176497
Energy: 1.535413954343591
Energy: 1.612620640216997
Energy: 1.460861483796326
Energy: 1.8314908685628548
Energy: 1.4606142347176443
Energy: 1.8314908685635078
Energy: 1.5430749653212845
Energy: 1.5133069337303475
Energy: 1.5183010460693531
Energy: 1.5133069337290417
Energy: 1.545774710367068
Energy: 1.5835511893530247
Energy: 1.4778373871905135
Energy: 1.5835511893530247
Energy: 1.4790637380794125
Energy: 1.5502960248654551
Energy: 1.4607926251406176
Energy: 1.550296024866108
Energy: 1.4792367542644957
Energy: 1.596487208232932
Energy: 1.4618408319167302
Energy: 1.5964872082309738
Energy: 1.4526824383554817
Energy: 1.8138303125930617
Energy: 1.4767534289794262
Energy: 1.8138303125969788
Energy: 1.4619211554882159
Energy: 1.6367430948219923
Energy: 1.5571671368928584
Energy: 1.6367430948259094
Energy: 1.4613465987869811
Energy: 1.802841340171195
Energy: 1.5590960928836832
Energy: 1.8028413401698893
Energy: 1.478381422384791
Energy: 1.5291367435582448
Energy: 1.7634958775345269
Energy: 1.5291367435588976
Energy: 1.4976491364038442
Energy: 1.8021651652344501
Energy: 1.4764956819902557
Energy: 1.8021651652357558
Energy: 1.4757520874677192
Energy: 1.5492922202907518
Energy: 1.4866353366216845
Energy: 1.5492922202907518
Energy: 1.7676120177561043
Energy: 1.6009491919757028
Energy: 1.4778066947890867
Energy: 1.6009491919724386
Energy: 1.4994767807582754
Energy: 1.528952244977727
Energy: 1.518817089551584
Energy: 1.5289522449783801
Energy: 1.7642179998644822
Energy: 1.5120308519632897
Energy: 1.4762623424528662
Energy: 1.5120308519626369
Energy: 1.4760174504564858
Energy: 1.5929403181907287
Energy: 1.4803671332048434
Energy: 1.59294031818877
Energy: 1.4941444914052673
Energy: 1.495919352285974
Energy: 1.5000336059050376
Energy: 1.4959193522800984
Energy: 1.4784231447912075
Energy: 1.6139925419943228
Energy: 1.7834424978586316
Energy: 1.6139925420041155
Energy: 1.5095725566956717
Energy: 1.5498112624621279
Energy: 1.4760342260668526
Energy: 1.5498112624601694
Energy: 1.4763332793436221
Energy: 1.6390644828057457
Energy: 1.4980640177903466
Energy: 1.6390644828031344
Energy: 1.747068682694916
Energy: 1.5705779063598464
Energy: 1.4781770984829121
Energy: 1.5705779063623984
Energy: 1.5627517211872544
Energy: 1.8024002848385128
Energy: 1.4613139382227427
Energy: 1.8024002848359608
Energy: 1.570052402703049
Energy: 1.6364518740885017
Energy: 1.4615418304335173
Energy: 1.6364518740871958
Energy: 1.4766239518144362
Energy: 1.572813324622784
Energy: 1.5159901133523392
Energy: 1.5728133246247422
Energy: 1.4620611994252082
Energy: 1.636348347444854
Energy: 1.4789377079013437
Energy: 1.6363483474422427
Energy: 1.4607649590114706
Energy: 1.7955544922813802
Energy: 1.4782145881513324
Energy: 1.795554492285297
Energy: 1.478263302182794
Energy: 1.5837606864619012
Energy: 1.791660122753701
Energy: 1.5837606864651654
Energy: 1.5172511877501718
Energy: 1.5127562766517122
Energy: 1.502112077359768
Energy: 1.512756276647795
Energy: 1.4608173765209678
Energy: 1.5507622478820566
Energy: 1.505687447298631
Energy: 1.550762247877487
Energy: 1.5336095651863395
Energy: 1.6147711885700609
Energy: 1.4783786101335297
Energy: 1.6147711885713663
Energy: 1.5000338335929324
Energy: 1.8134307178620983
Energy: 1.453978936008124
Energy: 1.8134307178614455
Energy: 1.7651076337922909
Energy: 1.6391981742992037
Energy: 1.476246922110231
Energy: 1.6391981742972452

minimum gb energy = 1.4526824383554817 eV
minimum distance =  2.25472256491857 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.3760849666256667
Energy: 1.3734453889824203
Energy: 1.3831658520346413
Energy: 1.3734453889841287
Energy: 1.373004132275704
Energy: 1.42305740389492
Energy: 1.3772945328131179
Energy: 1.42305740389492
Energy: 1.3813426104271407
Energy: 1.6109350500650732
Energy: 2.116055991198822
Energy: 1.6109350500650732
Energy: 1.3510678479131948
Energy: 1.422924692066021
Energy: 1.3768279735951345
Energy: 1.422924692066021
Energy: 1.3755389304683494
Energy: 1.5007471900465579
Energy: 1.3761461614282793
Energy: 1.5007471900465579
Energy: 1.373099612511917
Energy: 1.3752293647666654
Energy: 1.3800482242320848
Energy: 1.3752293647666654
Energy: 1.3812711264644106
Energy: 1.6103629585541224
Energy: 1.377020317487818
Energy: 1.6103629585541224
Energy: 1.3429748385188716
Energy: 1.6117825464527047
Energy: 1.3774333618523171
Energy: 1.6117825464544127
Energy: 1.3759567490503477
Energy: 1.5007945106114648
Energy: 1.3470651199324732
Energy: 1.5007945106114648
Energy: 1.4233421693188362
Energy: 1.4934177572045322
Energy: 1.377402260956569
Energy: 1.493417757194283
Energy: 1.3730636190048562
Energy: 1.4249678139671895
Energy: 1.376358798797529
Energy: 1.4249678139671895
Energy: 1.3785112989190054
Energy: 1.6094014712885798
Energy: 1.3749099944806247
Energy: 1.6094014712885798
Energy: 1.3760152588731442
Energy: 1.3796241185460736
Energy: 1.3515469438244498
Energy: 1.3796241185443654
Energy: 1.3726603626341012
Energy: 1.4981631532904722
Energy: 1.3726697855539418
Energy: 1.4981631532904722
Energy: 1.3411488487391177
Energy: 1.3796585576651663
Energy: 1.3759286188659319
Energy: 1.3796585576651663

minimum gb energy = 1.3411488487391177 eV
minimum distance =  2.2829181468996 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.317575082762036
Energy: 1.2641216896619227
Energy: 1.615592653107609
Energy: 1.2641216896619227
Energy: 1.5924447231271381
Energy: 1.2968901823870365
Energy: 1.2391270018355607
Energy: 1.2968901823870365
Energy: 1.2657893547852965
Energy: 1.2642607060837057
Energy: 1.5266975812537789
Energy: 1.2642607060837057
Energy: 1.26507844035289
Energy: 1.2968008826146151
Energy: 1.2386684971148787
Energy: 1.2968008826181947
Energy: 1.2660358681267363
Energy: 1.3590912575796217
Energy: 1.2674028576981085
Energy: 1.3590912575753258
Energy: 1.2421659494401387
Energy: 1.2977714320347333
Energy: 1.2849809896631472
Energy: 1.2977714320468392
Energy: 1.266002483846558
Energy: 1.3598402008021626
Energy: 1.5681392291436709
Energy: 1.3598402008021626
Energy: 1.2265400245241806
Energy: 1.2967600871951288
Energy: 1.2847549401502312
Energy: 1.2967600871872533
Energy: 1.2662987270836872
Energy: 1.3598660897256236
Energy: 1.7060244642550677
Energy: 1.3598660897256236
Energy: 1.6076142558628383
Energy: 1.3898256266573765
Energy: 1.2388988683952522
Energy: 1.389825626665968
Energy: 1.266176683141598
Energy: 1.3869975714293385
Energy: 1.2455552508071268
Energy: 1.3869975714307705
Energy: 1.2940785159769215
Energy: 1.3898252316871136
Energy: 1.2396833404559524
Energy: 1.3898252316899773
Energy: 1.3262336064169953
Energy: 1.28890962247342
Energy: 1.245579334907075
Energy: 1.2889096224712722
Energy: 1.8628133090338195
Energy: 1.3893446362372734
Energy: 1.240094050599338
Energy: 1.3893446362379895
Energy: 1.266281415464282
Energy: 1.2638830576183253
Energy: 1.245528674973628
Energy: 1.2638830576233369
Energy: 1.2594466032396798
Energy: 1.3892436036031912
Energy: 1.240251147172273
Energy: 1.3892436036017592
Energy: 1.2586240279497796
Energy: 1.2633037002861778
Energy: 1.2408330263004708
Energy: 1.2633037002883256
Energy: 1.259335169551244
Energy: 1.3594154620125671
Energy: 1.286646509371486
Energy: 1.3594154620097032
Energy: 1.258969777651567
Energy: 1.2918221890709343
Energy: 1.286797050818208
Energy: 1.2918221890780939
Energy: 1.2588859125563874
Energy: 1.2914282357079219
Energy: 1.2864868377596432
Energy: 1.291428235707206
Energy: 1.2594048298308855
Energy: 1.359694438146727
Energy: 1.2866138859378153
Energy: 1.3596944381481588
Energy: 1.2583444467122666
Energy: 1.2632850379110725
Energy: 1.2411077274156723
Energy: 1.2632850379261076
Energy: 1.259451188506879
Energy: 1.3892497084073627
Energy: 1.2402327058780047
Energy: 1.3892497084073627
Energy: 1.2662785175090308
Energy: 1.264073759178746
Energy: 1.244409644761465
Energy: 1.264073759166575
Energy: 1.8628259933091478
Energy: 1.38921195955792
Energy: 1.2397872403455283
Energy: 1.3892119595650794
Energy: 1.3267534065335445
Energy: 1.2887989562089002
Energy: 1.2423657514455333
Energy: 1.2887989562053206
Energy: 1.2951752281282187
Energy: 1.3896832109596775
Energy: 1.2394314408481997
Energy: 1.3896832109632575
Energy: 1.2662460779055853
Energy: 1.3867408619418466
Energy: 1.2428935658432425
Energy: 1.386740861936119
Energy: 1.6072927614404346
Energy: 1.3898617839525063
Energy: 1.2388705838497485
Energy: 1.3898617839532224
Energy: 1.2664983479510787
Energy: 1.3597690506720461
Energy: 1.5643475970692227
Energy: 1.3597690506648865
Energy: 1.2267677040271092
Energy: 1.2968534354124681
Energy: 1.2848814014885421
Energy: 1.2968534354081727
Energy: 1.2662860969028036
Energy: 1.3596835422975693
Energy: 1.8622306916493363
Energy: 1.3596835422839662
Energy: 1.242171405738731
Energy: 1.2975423245531756
Energy: 1.284812497213521
Energy: 1.2975423245517437
Energy: 1.2661240926479442
Energy: 1.3590657413824594
Energy: 1.2936747460022948
Energy: 1.3590657413846072
Energy: 1.2656490254627493
Energy: 1.2967148404800288
Energy: 1.2386244741741432
Energy: 1.2967148404814608

minimum gb energy = 1.2265400245241806 eV
minimum distance =  2.2945766648007 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.206600735283021
Energy: 1.2038358718094957
Energy: 1.1104823105399426
Energy: 1.2038358718094957
Energy: 1.1738495474255708
Energy: 1.203540593363158
Energy: 1.1309959256583246
Energy: 1.203540593363158
Energy: 1.1497119870393722
Energy: 1.3521930314086734
Energy: 1.112936181366004
Energy: 1.3521930314086734
Energy: 1.1286518596350124
Energy: 1.2037111422856321
Energy: 1.1312083327256042
Energy: 1.2037111422831688
Energy: 1.137063760363166
Energy: 1.203068747506149
Energy: 1.131753207658992
Energy: 1.203068747506149
Energy: 1.1139529152774421
Energy: 1.2034556044411073
Energy: 1.1314328202385668
Energy: 1.2034556044398756
Energy: 1.1294209684398684
Energy: 1.2585330254067204
Energy: 1.173525674547179
Energy: 1.2585330254067204
Energy: 1.1286160755037353
Energy: 1.204816703279716
Energy: 1.2091168066287508
Energy: 1.204816703278484
Energy: 1.1373878839293698
Energy: 1.2029819708246663
Energy: 1.1738473176338884
Energy: 1.2029819708246663
Energy: 1.7508135677489123
Energy: 1.3391252476608824
Energy: 1.131713107240591
Energy: 1.3391252476608824
Energy: 1.150455844183341
Energy: 1.2584608218160294
Energy: 1.1281519238734576
Energy: 1.258460821817261
Energy: 1.7809094910808467
Energy: 1.2042533695232132
Energy: 1.130943739727806
Energy: 1.2042533695244448
Energy: 1.1370070676949526
Energy: 1.2029877089022885
Energy: 1.111591766512266
Energy: 1.2029877089022885
Energy: 1.1624517762636821
Energy: 1.2579113952203322
Energy: 1.1311077974984476
Energy: 1.2579113952191003
Energy: 1.2031526191591861
Energy: 1.2588513840030733
Energy: 1.1280986480192192
Energy: 1.2588513840018414
Energy: 1.2029017664592012
Energy: 1.2038601139930665
Energy: 1.1318590597723244
Energy: 1.2038601139930665
Energy: 1.1275689270075024
Energy: 1.3378006058695062
Energy: 1.1121977182151388
Energy: 1.337800605870738
Energy: 1.1310648150556044
Energy: 1.259461484425873
Energy: 1.1310684697798437
Energy: 1.2594614844271048
Energy: 1.1299720159517697
Energy: 1.2071645966769111
Energy: 1.127287576752354
Energy: 1.2071645966781428
Energy: 1.1328371436877858
Energy: 1.2039312855136233
Energy: 1.1321527259763609
Energy: 1.2039312855136233

minimum gb energy = 1.1104823105399426 eV
minimum distance =  2.30055653413778 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.322848230372091
Energy: 1.0243257487054658
Energy: 1.738087245608081
Energy: 1.0243257487045039
Energy: 1.6204239712029778
Energy: 1.0350256967889269
Energy: 1.0121046694734306
Energy: 1.0350256967908504
Energy: 1.261188661615029
Energy: 1.0237212980969324
Energy: 0.9711157557626212
Energy: 1.0237212980969324
Energy: 1.2151793850957642
Energy: 1.0547817018255288
Energy: 1.0108347846356793
Energy: 1.0547817018255288
Energy: 1.027086744719296
Energy: 1.0359660791807885
Energy: 0.9838656375785232
Energy: 1.0359660791817504
Energy: 1.1904047623978367
Energy: 1.023191130237555
Energy: 1.0294708703396958
Energy: 1.0231911302394785
Energy: 1.0072389660399323
Energy: 1.0051810228705151
Energy: 1.2131128092740195
Energy: 1.0051810228676297
Energy: 0.9670096291180001
Energy: 1.0690366131668785
Energy: 1.2322375208168266
Energy: 1.0690366131668785
Energy: 1.0113232794184737
Energy: 1.0392427538664066
Energy: 1.8366146813474769
Energy: 1.0392427538673685
Energy: 0.967412099056528
Energy: 1.0059065193861496
Energy: 1.0715018926703328
Energy: 1.0059065193899972
Energy: 1.0078817887122813
Energy: 1.0052706400415443
Energy: 1.8307904498576961
Energy: 1.0052706400415443
Energy: 1.4866097912963652
Energy: 1.0678431041982788
Energy: 1.2320173692215568
Energy: 1.0678431041973169
Energy: 1.0130816006473857
Energy: 1.0546115977742594
Energy: 1.6221278612142889
Energy: 1.054611597776183
Energy: 1.5154664923144858
Energy: 1.005299877298797
Energy: 1.0293841167650848
Energy: 1.0052998773016828
Energy: 1.024256040323698
Energy: 1.0059385733149515
Energy: 1.1884898438988123
Energy: 1.005938573316875
Energy: 1.2113812003557327
Energy: 1.1756484640889704
Energy: 1.0073613530922612
Energy: 1.1756484640880085
Energy: 1.2314896082562534
Energy: 1.0684222947043283
Energy: 0.9712914929682486
Energy: 1.068422294699519
Energy: 1.6678899637748703
Energy: 1.0356961490798433
Energy: 1.0120767483846993
Energy: 1.0356961490808052
Energy: 1.2943522695736587
Energy: 1.0224725200097284
Energy: 0.9678034366326802
Energy: 1.022472520012614
Energy: 2.0241979192568564
Energy: 1.1799286078271616
Energy: 1.0075716991487313
Energy: 1.1799286078281233
Energy: 1.231631576381343
Energy: 1.0678668065096433
Energy: 0.95790448019711
Energy: 1.0678668065144525
Energy: 1.2274434762222515
Energy: 1.0544330655459808
Energy: 1.0153371227609098
Energy: 1.0544330655459808
Energy: 1.0245611153636518
Energy: 1.0050664329753467
Energy: 1.5191001056167055
Energy: 1.0050664329763086
Energy: 1.1932667748658072
Energy: 1.1798326600331803
Energy: 1.026190611864344
Energy: 1.1798326600274094
Energy: 1.0107616015860887
Energy: 1.1756907695996195
Energy: 1.712352707457241
Energy: 1.1756907696025052
Energy: 0.9796265710185694
Energy: 1.0683547922919219
Energy: 1.2326792794670676
Energy: 1.0683547922948076

minimum gb energy = 0.95790448019711 eV
minimum distance =  2.30562205366151 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.610871651311991
Energy: 0.9130932606255263
Energy: 1.2551089159230513
Energy: 0.9130932606278921
Energy: 1.5991990055584224
Energy: 0.892554090883158
Energy: 0.878472133641476
Energy: 0.892554090884735
Energy: 0.9130271049807751
Energy: 0.8755882481767581
Energy: 0.8481098395526921
Energy: 0.8755882481759696
Energy: 1.2329307187358836
Energy: 0.8941328559416558
Energy: 0.8785850626581718
Energy: 0.8941328559416558
Energy: 0.8749388003606469
Energy: 0.9364404745776344
Energy: 0.8571428799815972
Energy: 0.9364404745760572
Energy: 0.8665729339751537
Energy: 0.8940084362251467
Energy: 0.8784188059446708
Energy: 0.8940084362243581
Energy: 0.8778825414895408
Energy: 0.8928917431702164
Energy: 0.8675730536790993
Energy: 0.8928917431694279
Energy: 0.8564056639202621
Energy: 0.9129207726439899
Energy: 0.8756495137354929
Energy: 0.9129207726416242
Energy: 0.879303066822737
Energy: 0.9129953332724241
Energy: 1.2349714718320297
Energy: 0.9129953332700584
Energy: 0.8511855573007466
Energy: 0.8764010385809027
Energy: 0.9138407197488307
Energy: 0.8764010385816912
Energy: 0.8777833640385896
Energy: 0.8929725384283681
Energy: 1.910480078094891
Energy: 0.8929725384275794
Energy: 0.8565096770175014
Energy: 0.9137398877681198
Energy: 1.610909470784046
Energy: 0.9137398877681198
Energy: 0.8799418605571281
Energy: 0.913173639205435
Energy: 1.7547029562660466
Energy: 0.9131736392030694
Energy: 1.291563900372743
Energy: 1.0059265666067176
Energy: 0.9138788848314257
Energy: 1.005926566611449
Energy: 0.8779438800628134
Energy: 0.8929692504927341
Energy: 1.5814128948512156
Energy: 0.8929692504903685
Energy: 1.3035402111283154
Energy: 0.9145223984996387
Energy: 0.8755176507636084
Energy: 0.9145223984957318
Energy: 0.8799330141203068
Energy: 0.9124489096794506
Energy: 1.4000247563482329
Energy: 0.9124489096810277
Energy: 0.8682797187952529
Energy: 1.006181470354888
Energy: 0.8784496686154275
Energy: 1.006181470354888
Energy: 0.8777703659975908
Energy: 0.9128133291099647
Energy: 0.8544802415305667
Energy: 0.9128133291091762
Energy: 1.323392514957523
Energy: 0.913114182870358
Energy: 0.8758826247168487
Energy: 0.9131141828711465
Energy: 0.9157447458806149
Energy: 0.9118848539858072
Energy: 0.8490501358560496
Energy: 0.9118848539858072
Energy: 1.909510865904321
Energy: 0.9362147377095311
Energy: 0.878573989108731
Energy: 0.9362147377087424
Energy: 1.605938334802577
Energy: 0.9120048389205159
Energy: 0.8544763619059924
Energy: 0.912004838922093
Energy: 1.6112192650748076
Energy: 0.9115075496903011
Energy: 0.8762780188197172
Energy: 0.9115075496871469
Energy: 0.9160858671469172
Energy: 1.0035829349571732
Energy: 0.8441802491305427
Energy: 1.0035829349587502
Energy: 1.5808067375112778
Energy: 0.937210592619887
Energy: 0.8787045712900878
Energy: 0.9372105925899218
Energy: 0.877841030438138
Energy: 0.9121945545637146
Energy: 1.3025066657482478
Energy: 0.9121945545621376
Energy: 0.8823706468019749
Energy: 0.9120148163999635
Energy: 0.876524325225152
Energy: 0.9120148164007521
Energy: 0.8800655286074439
Energy: 1.0033991598297416
Energy: 1.3039624306513695
Energy: 1.0033991598281644
Energy: 0.854402885668728
Energy: 0.9612657084440396
Energy: 0.8813683918483857
Energy: 0.9612657084448282
Energy: 0.877435189397759
Energy: 0.9121150655007191
Energy: 1.320823121100625
Energy: 0.9121150654991419
Energy: 0.856160682202102
Energy: 0.9115085313948595
Energy: 0.9191235744432262
Energy: 0.9115085313972252

minimum gb energy = 0.8441802491305427 eV
minimum distance =  2.29691501083993 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.4385286022036663
Energy: 0.8099559529451239
Energy: 1.1848323206074396
Energy: 0.8099559529498
Energy: 1.6915186496849322
Energy: 0.8061435105228234
Energy: 0.8076574337803865
Energy: 0.8061435105268315
Energy: 0.8374113973175972
Energy: 0.8054030013647073
Energy: 0.7692223556663064
Energy: 0.8054030013613672
Energy: 1.408779117579501
Energy: 0.8061350460579293
Energy: 0.8076003012353347
Energy: 0.8061350460612694
Energy: 0.8050271668430935
Energy: 0.8077045866781266
Energy: 1.2017969029459195
Energy: 0.8077045866687743
Energy: 1.0959736413853451
Energy: 0.8081249818727063
Energy: 0.8075350688747776
Energy: 0.8081249818693662
Energy: 0.8070681403868369
Energy: 0.8209537057272452
Energy: 0.7811024798008376
Energy: 0.8209537057225691
Energy: 0.7812499461825733
Energy: 0.8213425709556851
Energy: 0.8075367955429248
Energy: 0.8213425709583572
Energy: 0.8086914861592158
Energy: 0.8225456279219877
Energy: 1.096121213885948
Energy: 0.8225456279173115
Energy: 0.7743890516395552
Energy: 0.807225864426023
Energy: 0.8055555083402991
Energy: 0.8072258644240189
Energy: 0.8071719535290025
Energy: 0.8064528006100777
Energy: 1.4089619293484215
Energy: 0.8064528006134177
Energy: 0.7722553650694579
Energy: 0.805700582213139
Energy: 0.8382064871484058
Energy: 0.8057005822111348
Energy: 0.8090215746466166
Energy: 0.8225939899691807
Energy: 1.9592899448056391
Energy: 0.8225939899725206
Energy: 0.7747186388459317
Energy: 0.8065395948990516
Energy: 1.4372107411039658
Energy: 0.8065395949037278
Energy: 0.8072041367253096
Energy: 0.8061461031789544
Energy: 1.9647188056507823
Energy: 0.8061461031802906
Energy: 1.150815408877208
Energy: 0.8055918345753369
Energy: 0.838181919368462
Energy: 0.8055918345760049
Energy: 0.8088886705179285
Energy: 0.8217550661976013
Energy: 1.6792868341082001
Energy: 0.8217550661962653
Energy: 1.1590672935871922
Energy: 0.8059248422668166
Energy: 0.8057350274451548
Energy: 0.8059248422801768
Energy: 0.8074304002773124
Energy: 0.8060479353642379
Energy: 1.396585589527541
Energy: 0.8060479353675779
Energy: 1.15622512062257
Energy: 0.8063410633490061
Energy: 0.8075785769633095
Energy: 0.8063410633516782
Energy: 0.8090006344773589
Energy: 0.8381468851336203
Energy: 1.084690255826441
Energy: 0.8381468851309483
Energy: 1.1716058784222354
Energy: 0.8210474028481362
Energy: 0.8099040515585815
Energy: 0.8210474028494722
Energy: 0.8071534362612266
Energy: 0.8062732512701669
Energy: 0.7719171654978341
Energy: 0.8062732512735069
Energy: 1.4081684388762408
Energy: 0.8067904242452267
Energy: 0.8076830281403211
Energy: 0.8067904242438907
Energy: 0.8393581271165592
Energy: 0.8381252211728388
Energy: 0.7701710921758445
Energy: 0.8381252211694988
Energy: 1.7005148762622955
Energy: 0.8210523663548992
Energy: 0.8103021116425968
Energy: 0.8210523663502232
Energy: 1.435199849844448
Energy: 0.8059016294684979
Energy: 0.7722731561122455
Energy: 0.80590162947117
Energy: 1.9616938529697263
Energy: 0.8062797017288288
Energy: 0.8077460703553335
Energy: 0.8062797016894159
Energy: 0.8392975257473609
Energy: 0.8365949947389025
Energy: 0.7696588146502221
Energy: 0.8365949947368984
Energy: 1.41661768261018
Energy: 0.8210684564363505
Energy: 0.810677474373099
Energy: 0.8210684564403588
Energy: 0.8071152160874434
Energy: 0.8050434142454553
Energy: 1.1570885079168676
Energy: 0.8050434142474594
Energy: 1.396744597681833
Energy: 0.8055217476759157
Energy: 0.8077197440409504
Energy: 0.8055217476765837
Energy: 0.8089344797806155
Energy: 0.8367422657503923
Energy: 1.1597714852734387
Energy: 0.8367422657463843
Energy: 0.7855178312669824
Energy: 0.8374289042061903
Energy: 0.8106259951246958
Energy: 0.8374289042081945
Energy: 0.798024289920481
Energy: 0.805051683973748
Energy: 1.1745779440071291
Energy: 0.8050516839697399
Energy: 0.7697691788461456
Energy: 0.805944978100773
Energy: 0.8095021216156042
Energy: 0.805944978100773
Energy: 0.8090451470003301
Energy: 0.912856436574309
Energy: 1.7408259468005904
Energy: 0.9128564365749771

minimum gb energy = 0.7692223556663064 eV
minimum distance =  2.30018113478225 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.3801354297093282
Energy: 0.785362495976153
Energy: 0.579430904008696
Energy: 0.7853624959749942
Energy: 1.7639438321161542
Energy: 0.781588499831645
Energy: 0.7387735804078857
Energy: 0.7815884998310657
Energy: 1.3402909543824502
Energy: 0.7818843016197902
Energy: 0.6746230806210624
Energy: 0.7818843016186314
Energy: 1.515954584824894
Energy: 0.7816608486150298
Energy: 0.7387441565064583
Energy: 0.7816608486138712
Energy: 0.7811338861073114
Energy: 0.7371740752933267
Energy: 0.6797442744616312
Energy: 0.737174075293906
Energy: 1.266226933676362
Energy: 0.7829654559742679
Energy: 0.7387659940715448
Energy: 0.7829654559736885
Energy: 0.7364691170600816
Energy: 0.8074100113692111
Energy: 0.6976776534484669
Energy: 0.8074100113692111
Energy: 1.231658428629362
Energy: 0.7817206591747009
Energy: 0.7386126920036369
Energy: 0.7817206591752803
Energy: 0.7384175733375347
Energy: 0.7601909330549819
Energy: 0.9844742862797216
Energy: 0.7601909330555612
Energy: 0.9536419805129851
Energy: 0.8062000178009774
Energy: 0.7368144121831711
Energy: 0.8062000178015568
Energy: 0.7400243318627245
Energy: 0.7816418079910384
Energy: 1.2665770263364586
Energy: 0.7816418079933559
Energy: 0.6792253929680213
Energy: 0.78125360095237
Energy: 0.7818018601878675
Energy: 0.7812536009529493
Energy: 0.7382796385880712
Energy: 0.7580230025006951
Energy: 1.515530039797991
Energy: 0.7580230025012746
Energy: 0.6745178888413902
Energy: 0.7821909602237397
Energy: 1.2889193482106296
Energy: 0.7821909602237397
Energy: 0.739984700904531
Energy: 0.7817529460305617
Energy: 1.981548050774978
Energy: 0.7817529460299824
Energy: 0.6788135624306928
Energy: 0.7854517113276303
Energy: 1.3317776916799569
Energy: 0.7854517113316595
Energy: 0.738385273698298
Energy: 0.7580817072464673
Energy: 1.9818604958406278
Energy: 0.7580817072470466
Energy: 1.0082029363019465
Energy: 0.7821801656975689
Energy: 1.2888633905551268
Energy: 0.7821801656998865
Energy: 0.7400242733130182
Energy: 0.7818371367548679
Energy: 1.7323483374398165
Energy: 0.781837136756606
Energy: 1.0164536693191513
Energy: 0.7855010793142435
Energy: 0.7815152372579371
Energy: 0.7855010793159817
Energy: 0.7383909496932397
Energy: 0.7582136594336903
Energy: 1.481139169024727
Energy: 0.7582136594354284
Energy: 1.0190583341307968
Energy: 0.7817897076484277
Energy: 0.7370387878491556
Energy: 0.7817897076495864
Energy: 0.7399302466595697
Energy: 0.7808704732324597
Energy: 1.2272211544183693
Energy: 0.7808704732324597
Energy: 1.0408354248281972
Energy: 0.8055845980266132
Energy: 0.738700429470768
Energy: 0.8055845980242956
Energy: 0.7381786358031774
Energy: 0.7807648847392663
Energy: 1.0883395675434937
Energy: 0.7807648847386869
Energy: 1.2675197980787523
Energy: 0.7818205641844338
Energy: 0.7415775284423032
Energy: 0.781820564183275
Energy: 0.7832141136790225
Energy: 0.780654178915356
Energy: 0.6823338928164044
Energy: 0.7806541789141973
Energy: 1.5067462183739602
Energy: 0.8055730601182365
Energy: 0.7388135332098718
Energy: 0.8055730601199482
Energy: 1.2931356778938043
Energy: 0.7840168141761862
Energy: 0.6744997643039059
Energy: 0.7840168141738687
Energy: 1.9813242210911801
Energy: 0.7809485159836262
Energy: 0.741799025666574
Energy: 0.7809485159847851
Energy: 1.3351613922976042
Energy: 0.780921362466987
Energy: 0.6783798759048706
Energy: 0.7809213624675664
Energy: 1.758554921855992
Energy: 0.8054020421566948
Energy: 0.7387362113272669
Energy: 0.8054020421555361
Energy: 1.2930955315278228
Energy: 0.780270182892301
Energy: 0.6732749225373702
Energy: 0.7802701828946186
Energy: 1.7324350156597028
Energy: 0.7808624675021467
Energy: 0.7418734923548845
Energy: 0.7808624675033053
Energy: 0.7831863153374375
Energy: 0.780608668370265
Energy: 1.0208941446478392
Energy: 0.780608668370265
Energy: 1.25318188855518
Energy: 0.8056343994832067
Energy: 0.7387972099733637
Energy: 0.8056343994826273
Energy: 0.7385700681566834
Energy: 0.7803996406953652
Energy: 1.0173868759479576
Energy: 0.7803996406947858
Energy: 1.227214444800872
Energy: 0.7804246703856306
Energy: 0.7418158896095041
Energy: 0.7804246703821542
Energy: 0.7401228587957098
Energy: 0.780650701862645
Energy: 1.0396222576404106
Energy: 0.7806507018632244
Energy: 0.7035501974550343
Energy: 0.8300657413587469
Energy: 0.7404122798568448
Energy: 0.8300657413593262
Energy: 0.737964482044799
Energy: 0.780275981405393
Energy: 1.5467697053983696
Energy: 0.7802759814048399
Energy: 0.6818008093860181
Energy: 0.7803516324448635
Energy: 0.7849484561941162
Energy: 0.7803516324431253
Energy: 0.7401028423529799
Energy: 0.7807627101117638
Energy: 1.5640627817428148
Energy: 0.7807627101129226

minimum gb energy = 0.579430904008696 eV
minimum distance =  2.30980433296486 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.015550135743580815
Energy: 0.016259824726366685
Energy: 0.917759243352457
Energy: 0.016259824726366685
Energy: 0.9176302467996534
Energy: 0.28452585298204935
Energy: 0.2846066074714819
Energy: 0.28452585298160393
Energy: 0.015550135743580815
Energy: 0.01625982472592129
Energy: 0.9177613381400214
Energy: 0.016259824726366685
Energy: 0.917630246799208
Energy: 0.28452585298160393
Energy: 0.28460675313781725
Energy: 0.2845258529811833
Energy: 0.015550135743580815
Energy: 0.016259824726366685
Energy: 0.9177593039218969
Energy: 0.01625982472678733
Energy: 0.917630246799208
Energy: 0.28452585298160393
Energy: 0.2846066341562644
Energy: 0.28452585298247

minimum gb energy = 0.015550135743580815 eV
minimum distance =  2.53491439177169 Angstroms
sigma value = 1