Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
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=3.61492508649826
cohesive_energy=3.540501757109522
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503335478659178e-19, 2.22223501312434e-19, 2.80046056033494e-19, 3.2504959550592e-19, 3.61149839423208e-19, 3.90902259516588e-19, 4.1582411705845797e-19, 4.3683025490683195e-19, 4.548499355094299e-19, 4.70785184311194e-19, 4.8519996748729195e-19, 4.983185897664839e-19, 5.1020513821413e-19, 5.20874032419936e-19, 5.30350907210046e-19, 5.38661397410604e-19, 5.45832740024388e-19, 5.51890569877542e-19, 5.5686052179621e-19, 5.60782650196242e-19, 5.6370982690656e-19, 5.657045368158899e-19, 5.66843684402664e-19, 5.67205776321948e-19, 5.66827662636324e-19, 5.656132127477519e-19, 5.63423037289074e-19, 5.60084101183818e-19, 5.55375304056492e-19, 5.490194693494139e-19, 5.40660913849836e-19, 5.29836608510532e-19, 5.159601566834579e-19, 4.98304170176778e-19, 4.7599866707823e-19, 4.480166521654199e-19, 4.13100416780658e-19, 3.6956126675170797e-19, 3.1500074365747197e-19, 2.46059083096452e-19, 1.5817985493921538e-19, 4.5357139855549796e-20, -1.003036273009164e-19, -2.8979369867475e-19, -5.39513755379892e-19, -8.72691192950094e-19, -1.3218485948789219e-18, -1.9412773185861e-18, -2.8278097154773197e-18, -4.1517363334505395e-18, -6.214362510295799e-18, -9.631500857057339e-18]
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: 4.9999999997e-06 eV

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

Energy: 0.013654753885244814
Energy: 0.8545455158328058
Energy: 0.637973218793009
Energy: 0.09844476990964192
Energy: 0.8545455158340255
Energy: 0.750189340385114
Energy: 0.8545455158328058
Energy: 0.750189340375322
Energy: 0.6379732187874683
Energy: 0.8545455158352451
Energy: 0.013654753885244814
Energy: 0.014409781809998244
Energy: 0.09844476990901467
Energy: 0.7501893403888077
Energy: 0.014409781809998244
Energy: 0.7501893403930939

minimum gb energy = 0.013654753885244814 eV
minimum distance =  2.4907022572206 Angstroms
sigma value = 1


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

Energy: 1.221464348610061
Energy: 0.8125839747638631
Energy: 0.8398383273769593
Energy: 0.8387179350513185
Energy: 0.8021789866088107
Energy: 0.8582169022680938
Energy: 0.8025347094008097
Energy: 0.8582169022680938
Energy: 0.8398191786308791
Energy: 0.838946766627465
Energy: 1.3236699397106193
Energy: 0.8389467666267043
Energy: 0.8032265607444438
Energy: 0.8011356801392772
Energy: 0.8020962718377791
Energy: 0.8011356801385163
Energy: 1.136733988144175
Energy: 0.8015397215389469
Energy: 0.8037991075378528
Energy: 0.8015397215389469
Energy: 0.8073785235644658
Energy: 0.9068061956633092
Energy: 0.8025918044803964
Energy: 0.906806195664796
Energy: 0.8472023948172469
Energy: 0.8712984573817297
Energy: 0.8459609685943524
Energy: 0.8712984573824906
Energy: 0.8486282253645488
Energy: 0.8685147126427584
Energy: 0.8746623675670574
Energy: 0.8685147126427584
Energy: 0.8631276924835679
Energy: 0.9110865511910096
Energy: 0.8638396211802876
Energy: 0.9110865511910096
Energy: 0.8718042040917684
Energy: 0.8990693211074264
Energy: 0.8639814033693218
Energy: 0.8990693211074264
Energy: 0.861268035750089
Energy: 0.9106311154187482
Energy: 0.8633891435213904
Energy: 0.9106311154195087
Energy: 0.8472205419118117
Energy: 0.9095576768750625
Energy: 0.8775041747359751
Energy: 0.9095576768758231
Energy: 0.8663472810977332
Energy: 0.8708472260894047
Energy: 0.8233346889569906
Energy: 0.870847226088644
Energy: 0.8069776193944289
Energy: 0.8719789997612397
Energy: 0.8482268664564654
Energy: 0.8719789997597183
Energy: 0.8239026284005351
Energy: 0.8009905026990879
Energy: 0.8008332418811465
Energy: 0.8009905026975664
Energy: 0.8279487126030589
Energy: 0.8026040802466504
Energy: 0.8020183283559591
Energy: 0.8026040802474111
Energy: 0.8389347994474794
Energy: 0.8381472756186685
Energy: 0.7788323489469605
Energy: 0.8381472756163864
Energy: 0.8024543791201282
Energy: 0.8018732729075153
Energy: 0.8225181237253689
Energy: 0.8018732729082761
Energy: 0.8031970086351397
Energy: 0.8393200378390794
Energy: 0.8398382460262962
Energy: 0.8393200378398401
Energy: 0.8035988730086695
Energy: 0.8016629010794395
Energy: 0.8032925255152349
Energy: 0.8016629010779182
Energy: 0.8023630180383595
Energy: 0.8038972458534274
Energy: 0.8462447494215792
Energy: 0.8038972458519058
Energy: 0.8023275920311369
Energy: 0.8027450166779055
Energy: 0.8077339058802135
Energy: 0.8027450166786664
Energy: 0.8461626834475454
Energy: 0.8724294031713544
Energy: 0.8460607502421402
Energy: 0.8724294031736366
Energy: 0.8753250569022172
Energy: 0.872347078602604
Energy: 0.8507664533710934
Energy: 0.8723470786010825
Energy: 0.8647706144868424
Energy: 0.9111501645475878
Energy: 0.8632479418740987
Energy: 0.9111501645460662
Energy: 0.8647451957753193
Energy: 0.908407853838475
Energy: 0.8735669795084355
Energy: 0.908407853838475
Energy: 0.8631891768619445
Energy: 0.9100593920494799
Energy: 0.8615284525052056
Energy: 0.9100593920487192
Energy: 0.8752342614200221
Energy: 0.9092788509967176
Energy: 0.8675067122211451
Energy: 0.9092788509959568
Energy: 0.8242037552254268
Energy: 0.8715406051698635
Energy: 0.8685141847310196
Energy: 0.8715406051706243
Energy: 0.8481061707481823
Energy: 0.872752027695402
Energy: 0.8562050230782255
Energy: 0.8727520276938806
Energy: 0.800221890836613
Energy: 0.8006651120053998
Energy: 0.8229316931288533
Energy: 0.8006651120038784
Energy: 0.8021525382846116
Energy: 0.8024497443792208
Energy: 0.8281528719589462
Energy: 0.8024497443776993
Energy: 0.7793540486772997
Energy: 0.8037056379662472
Energy: 0.840241614285501
Energy: 0.8037056379677685

minimum gb energy = 0.7788323489469605 eV
minimum distance =  2.27574417125686 Angstroms
sigma value = 1


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

Energy: 1.3845882386000081
Energy: 0.8840193607196359
Energy: 0.8844240892388399
Energy: 0.8840193607161665
Energy: 0.8448981234163008
Energy: 0.9016504091578568
Energy: 0.8441925579035668
Energy: 0.9016504091569895
Energy: 0.8839324494767792
Energy: 0.8846696827867992
Energy: 1.275098735360017
Energy: 0.8846696827850645
Energy: 0.8472387846622446
Energy: 0.8444941493953092
Energy: 0.8440969000828465
Energy: 0.8444941493935745
Energy: 0.8453757083009751
Energy: 0.8453270455266331
Energy: 0.8443704762657519
Energy: 0.8453270455275004
Energy: 0.847759394581726
Energy: 0.9446253720497444
Energy: 0.8456652271616272
Energy: 0.9446253720558158
Energy: 0.8997133508101532
Energy: 0.9262226593361627
Energy: 0.8959415913550122
Energy: 0.9262226593326934
Energy: 0.897537348031293
Energy: 0.9295905117958104
Energy: 0.8743095299143548
Energy: 0.9295905117966778
Energy: 0.8973455272017539
Energy: 0.9644485840270095
Energy: 0.9092524000717792
Energy: 0.9644485840296116
Energy: 0.925389129993931
Energy: 0.9659070503762712
Energy: 0.8998348311558698
Energy: 0.9659070503771385
Energy: 0.8717465374616866
Energy: 0.9259458736513304
Energy: 0.9005727039882119
Energy: 0.9259458736513304
Energy: 0.8985742861416316
Energy: 0.9277815291133215
Energy: 0.8477363074959666
Energy: 0.9277815291141888
Energy: 0.8444189463707882
Energy: 0.8443323353188327
Energy: 0.8720609795971324
Energy: 0.8443323353214347
Energy: 0.8433093405104846
Energy: 0.8441809882232263
Energy: 0.8163757700107215
Energy: 0.844180988219757
Energy: 0.8156988421392879
Energy: 0.8836232860077889
Energy: 0.8850110012952298
Energy: 0.883623286010391
Energy: 0.8726159149392402
Energy: 0.8445300207139433
Energy: 0.8438372959076922
Energy: 0.844530020713076
Energy: 0.8840590086724684
Energy: 0.8843427756288575
Energy: 0.8449828333248982
Energy: 0.8843427756279904
Energy: 0.8470368190140168
Energy: 0.8440856681179496
Energy: 0.8468091247818564
Energy: 0.8440856681274904
Energy: 0.8448399871866767
Energy: 0.8475237927373918
Energy: 0.8467011512734314
Energy: 0.8475237927382591
Energy: 0.8476533235124294
Energy: 0.8453474566316431
Energy: 0.8454341180452029
Energy: 0.8453474566307757
Energy: 0.8968754096146191
Energy: 0.9281209654557264
Energy: 0.8961104742787624
Energy: 0.9281209654574613
Energy: 0.8961294902872213
Energy: 0.9275964355516023
Energy: 0.8753571863138764
Energy: 0.9275964355550717
Energy: 0.8969630614601142
Energy: 0.9648076439590508
Energy: 0.9102389136821346
Energy: 0.9648076439633876
Energy: 0.9251053490058345
Energy: 0.9635649346984902
Energy: 0.9182476255051658
Energy: 0.9635649346958883
Energy: 0.8725461512741689
Energy: 0.9264348191572255
Energy: 0.9302160973822665
Energy: 0.9264348191572255
Energy: 0.8985464080209685
Energy: 0.9266170049944852
Energy: 0.8494497412224498
Energy: 0.9266170049927505
Energy: 0.84375169778606
Energy: 0.8438973901631163
Energy: 0.8726892733171926
Energy: 0.843897390162249
Energy: 0.8432348609609951
Energy: 0.8443573946881995
Energy: 0.8161483598368939
Energy: 0.8443573946916688
Energy: 0.815732182235629
Energy: 0.8467766875901076
Energy: 0.886658652111549
Energy: 0.8467766875892402

minimum gb energy = 0.8156988421392879 eV
minimum distance =  2.2767360296857 Angstroms
sigma value = 25


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

Energy: 1.3247881470083633
Energy: 0.9020382816814488
Energy: 0.9336157841128248
Energy: 0.9335279025276703
Energy: 0.8953490953908196
Energy: 0.9481965640575799
Energy: 0.8950728027811642
Energy: 0.9481965640585882
Energy: 0.9331063495200174
Energy: 0.9335944713954855
Energy: 0.8924874623563769
Energy: 0.9335944713954855
Energy: 0.8966765015201016
Energy: 0.8934465273848846
Energy: 0.8949549180734201
Energy: 0.8934465273848846
Energy: 0.8945697438600493
Energy: 0.8934816384263183
Energy: 0.8940957696835068
Energy: 0.8934816384263183
Energy: 0.897375994250617
Energy: 0.8948507134173952
Energy: 0.8931417442525217
Energy: 0.894850713416387
Energy: 0.9459393219839636
Energy: 0.9934182938240098
Energy: 0.9439069983910807
Energy: 0.9934182938240098
Energy: 0.9447384130754903
Energy: 0.9953281408988528
Energy: 0.8698986062114323
Energy: 0.9953281408988528
Energy: 0.9453744751968665
Energy: 0.9930009816161861
Energy: 0.9311987216722938
Energy: 0.9930009816151778
Energy: 0.8977340442555642
Energy: 0.9937475671314407
Energy: 0.8933836863670614
Energy: 0.9937475671314407
Energy: 0.8547332250284168
Energy: 0.8941162127038352
Energy: 0.8939910799437983
Energy: 0.8941162127048434
Energy: 0.8552696422294114
Energy: 0.8933225757988952
Energy: 0.8941481962682459
Energy: 0.8933225757988952
Energy: 0.9328674748357351
Energy: 0.9338408334685131
Energy: 0.8544638576351328
Energy: 0.9338408334685131
Energy: 0.8947302490387833
Energy: 0.8944418069225292
Energy: 0.9326700965405318
Energy: 0.8944418069225292
Energy: 0.8925456839041243
Energy: 0.934735164358169
Energy: 0.9350280835358175
Energy: 0.9347351643571608
Energy: 0.8952043976856436
Energy: 0.8930786118182406
Energy: 0.8962010524151166
Energy: 0.8930786118182406
Energy: 0.8969071641193295
Energy: 0.8972182867939036
Energy: 0.8946506593328235
Energy: 0.8972182867939036
Energy: 0.8959698510306808
Energy: 0.8937437539649588
Energy: 0.8960453304261964
Energy: 0.8937437539649588
Energy: 0.9439017553179302
Energy: 0.9954481762485503
Energy: 0.9492895663296879
Energy: 0.995448176247542
Energy: 0.8700156081477638
Energy: 0.9944290167924166
Energy: 0.9465057786505066
Energy: 0.9944290167934248
Energy: 0.9319394491412015
Energy: 0.9928571076836116
Energy: 0.9456748084476353
Energy: 0.9928571076846198
Energy: 0.9323273564708197
Energy: 0.9929138995758952
Energy: 0.8974075520927645
Energy: 0.9929138995758952
Energy: 0.8931627208758507
Energy: 0.893036333046527
Energy: 0.8548263692535251
Energy: 0.893036333046527
Energy: 0.8932460921778739
Energy: 0.8932131719298445
Energy: 0.8550558045992066
Energy: 0.8932131719298445
Energy: 0.854321224598893
Energy: 0.8960546612470196
Energy: 0.9347451336957731
Energy: 0.8960546612480279

minimum gb energy = 0.854321224598893 eV
minimum distance =  2.28485368893868 Angstroms
sigma value = 9


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

Energy: 1.33588583438489
Energy: 1.0041291285821468
Energy: 1.0045156923004868
Energy: 1.0041291285833496
Energy: 0.9704057494407883
Energy: 1.0135512489833023
Energy: 0.9907461409717294
Energy: 1.0135512489833023
Energy: 1.0059907266181984
Energy: 1.0054964592394717
Energy: 0.9991789165119715
Energy: 1.0054964592406748
Energy: 0.9659487522844793
Energy: 1.014814946854913
Energy: 0.9654268254804688
Energy: 1.014814946854913
Energy: 0.9270496120974477
Energy: 0.968973143938638
Energy: 0.9664260107728591
Energy: 0.968973143938638
Energy: 0.9674797662292541
Energy: 0.9661228156599144
Energy: 0.9672188820617612
Energy: 0.9661228156599144
Energy: 0.984533698183008
Energy: 1.076834231025002
Energy: 0.9657528893704771
Energy: 1.076834231026205
Energy: 1.0121890905669935
Energy: 1.0718202309943843
Energy: 0.9739747503183191
Energy: 1.07182023099679
Energy: 1.022146593943424
Energy: 1.023231681052956
Energy: 0.9448806774466929
Energy: 1.0232316810517534
Energy: 1.0217836424035809
Energy: 1.006549158498183
Energy: 0.9278270875124695
Energy: 1.006549158498183
Energy: 0.8924479423107843
Energy: 0.9108145113234083
Energy: 0.9097567918317963
Energy: 0.9108145113234083
Energy: 0.9990646707339249
Energy: 0.8932526739487959
Energy: 0.9105971266286886
Energy: 0.8932526739512014
Energy: 1.0552757123844008
Energy: 1.055278083293128
Energy: 1.035066812619445
Energy: 1.0552780832919255
Energy: 1.0551437232847989
Energy: 1.0064646497549448
Energy: 1.0207544966547566
Energy: 1.006464649753742
Energy: 0.926849488727847
Energy: 0.9869218677212054
Energy: 0.9633821323863537
Energy: 0.9869218677200027
Energy: 0.9744265816414968
Energy: 0.9871970685151679
Energy: 0.9629320888285048
Energy: 0.9871970685163707
Energy: 0.9847607153552072
Energy: 1.0867094899895924
Energy: 0.9631638609155302
Energy: 1.0867094899895924
Energy: 0.9848381148852227
Energy: 1.0863128107066546
Energy: 0.9628099273549853
Energy: 1.0863128107066546
Energy: 0.9682735232074597
Energy: 0.9689408592483822
Energy: 0.9450215427089964
Energy: 0.9689408592471794
Energy: 0.9702850457608968
Energy: 0.9695643159489425
Energy: 0.9451721544236343
Energy: 0.9695643159477398
Energy: 0.9457920399748
Energy: 0.9915719090469931
Energy: 1.0059927050609037
Energy: 0.9915719090469931

minimum gb energy = 0.8924479423107843 eV
minimum distance =  2.27147721693723 Angstroms
sigma value = 25


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

Energy: 1.1080162193136915
Energy: 1.0062330504340888
Energy: 1.0492126446783678
Energy: 1.0484560757137733
Energy: 1.067733868427591
Energy: 1.0099094736256775
Energy: 0.9613423081290124
Energy: 1.0099094736256775
Energy: 1.0477705982991534
Energy: 1.0483819456028123
Energy: 1.0465357415280403
Energy: 1.0483819456042998
Energy: 1.048439455501294
Energy: 1.010476550174145
Energy: 0.9618208816653753
Energy: 1.0104765501756325
Energy: 0.9589313851183067
Energy: 1.0283182887972402
Energy: 0.9621074682905117
Energy: 1.0283182887957527
Energy: 0.9370414099841938
Energy: 0.9631587312810048
Energy: 0.9597802490657771
Energy: 0.9631587312795172
Energy: 0.9328058798747142
Energy: 0.9606782496502033
Energy: 0.9626995159337478
Energy: 0.9606782496516908
Energy: 0.9330319826040758
Energy: 1.0110837234669896
Energy: 0.9648147313778467
Energy: 1.0110837234684773
Energy: 1.0467258555518746
Energy: 1.0478090140201188
Energy: 1.158278516144872
Energy: 1.0478090140201188
Energy: 1.0695268566280898
Energy: 0.9390216555037226
Energy: 1.0437672917162573
Energy: 0.9390216555037226
Energy: 1.0474805933350386
Energy: 1.0482546434234215
Energy: 1.0515410451514564
Energy: 1.0482546434234215
Energy: 1.0460210888908135
Energy: 1.0124667208144775
Energy: 1.0483052077606212
Energy: 1.0124667208144775
Energy: 0.9607705146263837
Energy: 1.0764140488853031
Energy: 0.9587812170512207
Energy: 1.0764140488838156
Energy: 0.9618795147741935
Energy: 1.0271425106006584
Energy: 0.9390788882189124
Energy: 1.0271425106006584
Energy: 1.0210437350380581
Energy: 1.0270036893719754
Energy: 0.9328195037638074
Energy: 1.0270036893719754
Energy: 0.9607628415107936
Energy: 1.0732907687094697
Energy: 0.9328285898232997
Energy: 1.0732907687094697
Energy: 1.1520002074555786
Energy: 0.9381422785467117
Energy: 1.0520053663602746
Energy: 0.9381422785467117

minimum gb energy = 0.9328058798747142 eV
minimum distance =  2.34095073559831 Angstroms
sigma value = 17


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

Energy: 1.5111682918558884
Energy: 1.116576588459496
Energy: 1.1449966306021702
Energy: 1.145754894862693
Energy: 1.010261405646995
Energy: 1.0344635253545076
Energy: 1.0894812811804302
Energy: 1.0344635253545076
Energy: 1.0189754401107405
Energy: 1.0189269632344813
Energy: 1.1573547361563745
Energy: 1.0189269632336388
Energy: 1.019053129322106
Energy: 1.12177073406396
Energy: 1.0306196422924894
Energy: 1.12177073406396
Energy: 1.018791502532287
Energy: 1.10672186668153
Energy: 0.9618899902644381
Energy: 1.106721866679845
Energy: 1.0190085930185862
Energy: 1.0721569928986023
Energy: 1.0186969750345876
Energy: 1.0721569929002872
Energy: 1.070976619857489
Energy: 1.017545432540936
Energy: 1.0194591595952072
Energy: 1.0175454325400937
Energy: 1.211898051699204
Energy: 1.0179389376318069
Energy: 0.9824804395582336
Energy: 1.017938937633492
Energy: 1.1502827263311053
Energy: 1.1447972812912106
Energy: 1.151139577901114
Energy: 1.144797281292053
Energy: 1.1508972824185593
Energy: 1.0935944309561023
Energy: 1.106730122041869
Energy: 1.0935944309552597
Energy: 1.0162652512576302
Energy: 0.9824561232490215
Energy: 0.9796517411281216
Energy: 0.982456123249864
Energy: 1.0879593992104004
Energy: 1.0122808334678566
Energy: 0.9849456637568439
Energy: 1.0122808334678566
Energy: 1.0709083892725682
Energy: 1.0120278169114871
Energy: 1.0108409143019483
Energy: 1.01202781694013
Energy: 1.0708679270333055
Energy: 1.0125996632462544
Energy: 0.9803189555065476
Energy: 1.0125996632428849
Energy: 1.149911537030852
Energy: 1.0751489624685677
Energy: 1.222887825237851
Energy: 1.0751489624677253
Energy: 1.148906810678592
Energy: 1.1453284726947874
Energy: 1.2267916251012267
Energy: 1.1453284726947874
Energy: 1.1465224940029228
Energy: 1.0182758298293586
Energy: 1.0190306368800275
Energy: 1.0182758298293586
Energy: 1.1439516740093258
Energy: 1.0182536858659463
Energy: 1.0160452890243652
Energy: 1.018253685865104
Energy: 1.0194296172125865
Energy: 1.1067837921542851
Energy: 1.0183475108360793
Energy: 1.1067837921551273
Energy: 1.0580716775425814
Energy: 1.0748854169708568
Energy: 1.0189030400728754
Energy: 1.0748854169700144
Energy: 1.018321183390728
Energy: 1.0313435350995062
Energy: 1.175791503548342
Energy: 1.0313435350995062
Energy: 1.0190819716267387
Energy: 1.0193900738892416
Energy: 1.0725956128227745
Energy: 1.0193900738926114
Energy: 1.0893171097697512
Energy: 1.0923725521054592
Energy: 1.0974013890470298
Energy: 1.0923725521037744
Energy: 1.1536262488557543
Energy: 1.1448268653340832
Energy: 1.145204525999031
Energy: 1.1448268653349258
Energy: 0.9864976783951453
Energy: 1.0136822396810332
Energy: 1.1448731469461102
Energy: 1.0136822396793483
Energy: 0.9832700442988876
Energy: 1.0126112629284214
Energy: 1.0162129959066037
Energy: 1.0126112629292638
Energy: 0.9793356475444938
Energy: 0.982202638984589
Energy: 1.0730469830391682
Energy: 0.9822026389854314
Energy: 0.9878640101169623
Energy: 1.0106285978383063
Energy: 1.0707360782406525
Energy: 1.0106285978399911
Energy: 0.9814365495959629
Energy: 1.0112978486737438
Energy: 1.0712773473381598
Energy: 1.011297848672059
Energy: 1.2420888879907872
Energy: 1.144622109795285
Energy: 1.1457106829430581
Energy: 1.144622109795285

minimum gb energy = 0.9618899902644381 eV
minimum distance =  2.2971851006498 Angstroms
sigma value = 53


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

Energy: 1.3790896335511407
Energy: 1.081377263118796
Energy: 1.0830052571205735
Energy: 1.081377263118796
Energy: 1.079475061953257
Energy: 0.9886511226754207
Energy: 1.0762010685734662
Energy: 0.9886511226754207
Energy: 1.080806021142635
Energy: 1.0795295830286709
Energy: 1.0791523822326803
Energy: 1.0795295830286709
Energy: 1.0784569976881975
Energy: 0.989854311258725
Energy: 1.0790034398273347
Energy: 0.989854311258725
Energy: 1.0828552954727593
Energy: 0.9891233002593957
Energy: 0.9243357898276405
Energy: 0.9891233002613351
Energy: 1.0783621411252207
Energy: 0.9927735166471937
Energy: 0.9407952771086767
Energy: 0.9927735166471937
Energy: 1.217633504570144
Energy: 1.076749267756036
Energy: 1.0761612828348723
Energy: 1.0767492677579316
Energy: 1.2192465514476216
Energy: 0.9913865070034259
Energy: 1.077134437830577
Energy: 0.9913865070053652
Energy: 1.0792079763518538
Energy: 1.0781207963162367
Energy: 1.0946688253500103
Energy: 1.0781207963142974
Energy: 1.0778403549962594
Energy: 0.9914846555466632
Energy: 1.077645987637558
Energy: 0.9914846555505421
Energy: 1.0801823446088747
Energy: 0.9941273443736003
Energy: 0.9440291963228271
Energy: 0.9941273443736003
Energy: 1.0781489164153981
Energy: 0.9890025500647666
Energy: 0.924414512042068
Energy: 0.989002550066706
Energy: 1.218610576087199
Energy: 1.0814322161902474
Energy: 1.07689423493752
Energy: 1.0814322161902474

minimum gb energy = 0.9243357898276405 eV
minimum distance =  2.32230744683507 Angstroms
sigma value = 9


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

Energy: 1.341614557651596
Energy: 1.1556257170744137
Energy: 1.2023299959863583
Energy: 1.198611944625733
Energy: 1.004979030848321
Energy: 1.0032833523337703
Energy: 1.199484099234007
Energy: 1.0032833523337703
Energy: 1.0128506552578829
Energy: 1.0072065198143438
Energy: 1.1822285204329273
Energy: 1.0072065198157791
Energy: 1.0096671810097593
Energy: 1.0059675170539024
Energy: 1.1998064736378025
Energy: 1.0059675170553382
Energy: 1.0043820217267012
Energy: 1.0029417070515512
Energy: 1.2618158855739539
Energy: 1.0029417070551403
Energy: 1.00302448424529
Energy: 1.0033063695627011
Energy: 1.2607134276767393
Energy: 1.0033063695648545
Energy: 1.1975858318945176
Energy: 1.1833339736399127
Energy: 1.1962994471905448
Energy: 1.1833339736391948
Energy: 1.1951196207405745
Energy: 1.184657206183603
Energy: 1.183615939813022
Energy: 1.1846572061843208
Energy: 1.0523606910412755
Energy: 1.12601272358925
Energy: 1.0782786602066594
Energy: 1.1260127235906858
Energy: 1.0047383194850963
Energy: 1.0856539494693096
Energy: 1.185977344999566
Energy: 1.0856539494700272
Energy: 1.0512435767562358
Energy: 1.0519219084701068
Energy: 1.1021203115794036
Energy: 1.0519219084701068
Energy: 1.0632206985074872
Energy: 1.118525251820465
Energy: 1.2608254732776896
Energy: 1.1185252518183115
Energy: 1.1954669351843397
Energy: 1.0519360387928
Energy: 1.0685679209420793
Energy: 1.0519360387928
Energy: 1.1955136763442535
Energy: 1.0519106397413944
Energy: 1.0544231681044445
Energy: 1.051910639742112
Energy: 1.1833319840131011
Energy: 1.0716490906243687
Energy: 1.0621781904726326
Energy: 1.0716490906258043
Energy: 1.10334747171533
Energy: 1.1296798970985014
Energy: 1.0626961876163123
Energy: 1.1296798970992192
Energy: 1.187693892968673
Energy: 1.106829867629211
Energy: 1.0543299759110467
Energy: 1.1068298676277752
Energy: 1.1987398933033102
Energy: 1.1855116933191931
Energy: 1.3382464695322276
Energy: 1.1855116933191931
Energy: 1.1991463510789797
Energy: 1.0032219587716809
Energy: 1.0062227566692155
Energy: 1.0032219587702451
Energy: 1.2511907184891795
Energy: 1.0089933964455329
Energy: 1.0137129076715805
Energy: 1.0089933964469684
Energy: 1.1999169909945242
Energy: 1.004923398643559
Energy: 1.006951935216189
Energy: 1.0049233986428412
Energy: 1.2609857148412913
Energy: 1.0027543142458017
Energy: 1.0034040037814127
Energy: 1.0027543142458017
Energy: 1.2613514671623245
Energy: 1.0037350126832656
Energy: 1.0029501248663004
Energy: 1.003735012682548
Energy: 1.1980402141513309
Energy: 1.1832008372418086
Energy: 1.1963334696843766
Energy: 1.1832008372432443
Energy: 1.18290144721119
Energy: 1.1828401822005197
Energy: 1.195403704799175
Energy: 1.1828401821998016
Energy: 1.065206654872595
Energy: 1.1039320856698807
Energy: 1.052508601611881
Energy: 1.1039320856713162
Energy: 1.1867659590662514
Energy: 1.0871183405603895
Energy: 1.0042997166229706
Energy: 1.087118340558954
Energy: 1.102682811525843
Energy: 1.051994544760183
Energy: 1.0518337953729575
Energy: 1.0519945447594652
Energy: 1.2613141535837842
Energy: 1.0612902541726548
Energy: 1.0626523467134736
Energy: 1.0612902541733726
Energy: 1.0702706520315335
Energy: 1.051633830537504
Energy: 1.1971538392641075
Energy: 1.0516338305389394
Energy: 1.0564164948605062
Energy: 1.0525897544790843
Energy: 1.1817203609156037
Energy: 1.0525897544805198
Energy: 1.0584739019123877
Energy: 1.0582814717122022
Energy: 1.1832854158837853
Energy: 1.05828147171292
Energy: 1.0636139044798725
Energy: 1.1367043290187206
Energy: 1.1042968080513946
Energy: 1.1367043290201564
Energy: 1.0535199595921958
Energy: 1.1066506565732384
Energy: 1.107286850971579
Energy: 1.1066506565732384
Energy: 1.2610987683991821
Energy: 1.1842711851727092
Energy: 1.1885751977594499
Energy: 1.1842711851719916

minimum gb energy = 1.0027543142458017 eV
minimum distance =  2.29664839050024 Angstroms
sigma value = 73


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

Energy: 1.4309996363516395
Energy: 1.1606286212839623
Energy: 1.1605641409304988
Energy: 1.1606286212839623
Energy: 1.0257598538771393
Energy: 1.0211868788655876
Energy: 1.137847356094436
Energy: 1.0211868788633098
Energy: 1.0268343575024974
Energy: 1.0242232802967632
Energy: 1.170792461446931
Energy: 1.024223280297902
Energy: 1.0233142125468189
Energy: 1.023156517515876
Energy: 1.2473578865657409
Energy: 1.0231565175147372
Energy: 1.0243732061924598
Energy: 1.0247172609703952
Energy: 1.189919812971704
Energy: 1.0247172609703952
Energy: 1.083954364990432
Energy: 1.0244882755473685
Energy: 1.1906963956554337
Energy: 1.0244882755450908
Energy: 1.1339813286932006
Energy: 1.167249534462728
Energy: 1.184196351847293
Energy: 1.167249534462728
Energy: 1.078501774643027
Energy: 1.1677888370786806
Energy: 1.1662754681149148
Energy: 1.1677888370775418
Energy: 1.0600807313291813
Energy: 1.1421351116469636
Energy: 1.1686257520091616
Energy: 1.1421351116469636
Energy: 1.0770520826764536
Energy: 1.0530972692234064
Energy: 1.1668303929846884
Energy: 1.0530972692245453
Energy: 1.0617084769185372
Energy: 0.9995985988120701
Energy: 1.0121396966231235
Energy: 0.9995985988109313
Energy: 1.0586173949676394
Energy: 1.0030935363210762
Energy: 1.22990419259486
Energy: 1.0030935363210762
Energy: 1.1751731629019173
Energy: 1.0740538637602666
Energy: 1.0571645954199387
Energy: 1.0740538637625443
Energy: 1.1697668379361863
Energy: 1.0609275382775485
Energy: 1.0577402461428187
Energy: 1.0609275382217696
Energy: 1.183088633363094
Energy: 1.0593672042835989
Energy: 1.0567435144951705
Energy: 1.0593672042813211
Energy: 1.2435018837842473
Energy: 1.0569953565530863
Energy: 1.0571180402453326
Energy: 1.056995356555364
Energy: 1.1898633763831346
Energy: 1.0572432771322935
Energy: 1.0582801746087938
Energy: 1.0572432771334324
Energy: 1.1405298562726007
Energy: 1.1400429424198542
Energy: 1.0762486680342958
Energy: 1.1400429424221319
Energy: 1.134451710092845
Energy: 1.0953980245833412
Energy: 1.079147252632906
Energy: 1.09539802458448
Energy: 1.1342725542300123
Energy: 1.0953796328352716
Energy: 1.132247104755787
Energy: 1.0953796328352716
Energy: 1.1343721024798576
Energy: 1.0973248956198274
Energy: 1.0686504836013497
Energy: 1.0973248956198274
Energy: 1.1895118757196548
Energy: 1.1302668408334502
Energy: 1.1307018262527655
Energy: 1.1302668408334502

minimum gb energy = 0.9995985988109313 eV
minimum distance =  2.2836213896242 Angstroms
sigma value = 7


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

Energy: 1.6631583068680436
Energy: 1.1645184683790597
Energy: 1.164218149175411
Energy: 1.164518468377449
Energy: 1.0271546379490886
Energy: 1.0900571697875543
Energy: 1.1323659900524659
Energy: 1.0900571697907757
Energy: 1.0245429506133514
Energy: 1.0264028778642296
Energy: 1.127178593650061
Energy: 1.0264028778626189
Energy: 1.0245478244707094
Energy: 1.0254753793306537
Energy: 1.2294553709535316
Energy: 1.0254753793322644
Energy: 1.0249839956818823
Energy: 1.0246803977203627
Energy: 1.2064131516092802
Energy: 1.0246803977227787
Energy: 1.0268614347127911
Energy: 1.0254879364492437
Energy: 1.205064026547852
Energy: 1.0254879364484386
Energy: 1.1337395025299777
Energy: 1.0250337769528057
Energy: 1.0252466564845903
Energy: 1.025033776953611
Energy: 1.1273582520754961
Energy: 1.0254036955208818
Energy: 1.0247615887725865
Energy: 1.0254036955216874
Energy: 1.229333070734411
Energy: 1.0260014770129744
Energy: 1.025229598602003
Energy: 1.0260014770161958
Energy: 1.2242842978752262
Energy: 1.0263769979041986
Energy: 1.0233515964508637
Energy: 1.0263769979066146
Energy: 1.1309538151500447
Energy: 1.1241944189867155
Energy: 1.0261916362215255
Energy: 1.124194418990742
Energy: 1.1297676471428544
Energy: 1.1281808903940878
Energy: 1.12557782289483
Energy: 1.1281808903908668
Energy: 1.1224181766669472
Energy: 1.0892507017519737
Energy: 1.1276016684197891
Energy: 1.0892507017543898
Energy: 1.1237284845710496
Energy: 1.086296058264943
Energy: 1.0347623699646962
Energy: 1.0862960582689696
Energy: 1.1265538288340202
Energy: 1.0880401300527465
Energy: 1.0352214047867134
Energy: 1.0880401300535516
Energy: 1.0342170528823011
Energy: 1.1229826116270127
Energy: 1.1301923213066265
Energy: 1.1229826116318444
Energy: 1.034728637221221
Energy: 1.1235756455985566
Energy: 1.1328558236757083
Energy: 1.1235756455977515
Energy: 1.0246828792351845
Energy: 1.0260232372753488
Energy: 1.1299504540154535
Energy: 1.026023237268101
Energy: 1.0256981865542663
Energy: 1.0265042477465751
Energy: 1.1308979420589016
Energy: 1.0265042477417434
Energy: 1.0242905441993033
Energy: 1.0251054288140649
Energy: 1.036997058029883
Energy: 1.0251054288132597
Energy: 1.0252729690953892
Energy: 1.0250667635072905
Energy: 1.2106544679201565
Energy: 1.0250667635089012
Energy: 1.1253539449720968
Energy: 1.0251357947286406
Energy: 1.026601660069871
Energy: 1.025135794723809
Energy: 1.1255039210228555
Energy: 1.0249848158949646
Energy: 1.0249637407590542
Energy: 1.024984815901407
Energy: 1.22954917004304
Energy: 1.0252702782646503
Energy: 1.0243463035156601
Energy: 1.025270278263845
Energy: 1.2142012101848423
Energy: 1.0262792333985147
Energy: 1.0245814992346303
Energy: 1.026279233404957
Energy: 1.2068376727889945
Energy: 1.0291915438184764
Energy: 1.027351289387898
Energy: 1.0291915438128394
Energy: 1.1643725078026637
Energy: 1.1355087332875056
Energy: 1.4439319711444558
Energy: 1.1355087332818683
Energy: 1.1219684968416446
Energy: 1.0904716722551213
Energy: 1.1307820785946243
Energy: 1.0904716722519
Energy: 1.1253278349364282
Energy: 1.0871139801463061
Energy: 1.1238765329276028
Energy: 1.0871139801503327
Energy: 1.1244705331212652
Energy: 1.0902305168612751
Energy: 1.0340664430953534
Energy: 1.0902305168644963
Energy: 1.0340776566919794
Energy: 1.1245605175375222
Energy: 1.1260893493334454
Energy: 1.1245605175383273

minimum gb energy = 1.0233515964508637 eV
minimum distance =  2.28215343292087 Angstroms
sigma value = 29


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

Energy: 0.9676402330243185
Energy: 1.0666768905421735
Energy: 0.9888780495007592
Energy: 1.1474993487275795
Energy: 0.9837679610022915
Energy: 1.054806466506196
Energy: 0.9896577849813901
Energy: 1.0548064665059156
Energy: 0.9802611160632186
Energy: 1.0391542849387019
Energy: 0.9677188418926094
Energy: 1.0391542849389823
Energy: 0.9717347254503741
Energy: 0.9804187922549508
Energy: 0.9801232967459291
Energy: 0.9804187922547014
Energy: 0.9791179233741321
Energy: 0.9827768088438353
Energy: 0.9705794359721409
Energy: 0.9827768088462976
Energy: 0.9809005074480304
Energy: 1.0446753326764309
Energy: 0.9717603594079163
Energy: 1.0446753326767115
Energy: 0.967885233897937
Energy: 1.0385421704878668
Energy: 0.9801202246457312
Energy: 1.0385421704878668
Energy: 0.9869967776684827
Energy: 0.9883066595835966
Energy: 0.976069435893277
Energy: 0.988306659579763
Energy: 0.9716673711339169
Energy: 0.9834457840194786
Energy: 0.989839821179159
Energy: 0.9834457840181071

minimum gb energy = 0.9676402330243185 eV
minimum distance =  2.30620692267558 Angstroms
sigma value = 5


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

Energy: 1.4213271235351985
Energy: 0.9584669121310261
Energy: 1.1040196577474446
Energy: 0.9584669121340691
Energy: 1.0948876900169635
Energy: 0.9570905738914902
Energy: 1.1238128751451895
Energy: 0.9570905738892082
Energy: 1.1144174211585958
Energy: 1.0312550256447404
Energy: 1.1249139602009293
Energy: 1.0312550256447404
Energy: 1.054626388088597
Energy: 1.0310260915719678
Energy: 1.0936138514026592
Energy: 1.0310260915772929
Energy: 1.0418844355727757
Energy: 0.9553172156438187
Energy: 1.0596240299170305
Energy: 0.9553172156445794
Energy: 0.9557786425265172
Energy: 0.9567058849810995
Energy: 1.0603197592163858
Energy: 0.956705884982621
Energy: 0.9539377939846524
Energy: 0.9538177043094552
Energy: 1.0942808447512102
Energy: 0.9538177043086946
Energy: 0.962688121150682
Energy: 0.958117217078149
Energy: 1.2069683641894287
Energy: 0.9581172170789098
Energy: 1.0817642289418294
Energy: 0.9857394238503605
Energy: 1.188544394847335
Energy: 0.9857394238496
Energy: 1.23081128222809
Energy: 0.9404253582665903
Energy: 0.9476011611427765
Energy: 0.9404253582658296
Energy: 1.0803439949951656
Energy: 0.9370235264827125
Energy: 0.9397596399992839
Energy: 0.9370235264819518
Energy: 1.2004127583019788
Energy: 0.9380644052750301
Energy: 0.9366210829421462
Energy: 0.9380644052757908
Energy: 1.204399659838652
Energy: 0.9367807860934801
Energy: 0.9504545410016594
Energy: 0.9367807860934801
Energy: 1.0201431584063487
Energy: 0.926641157996412
Energy: 1.2028229744632
Energy: 0.9266411579986941
Energy: 1.0135264842849012
Energy: 0.9295250409193848
Energy: 1.1992048311654688
Energy: 0.9295250409209064
Energy: 1.0142930820683755
Energy: 0.9251382310929975
Energy: 0.9743998101974135
Energy: 0.9251382310937583
Energy: 1.0122805114609918
Energy: 0.9266221368734029
Energy: 0.9739044387819021
Energy: 0.9266221368718813
Energy: 1.138471570966162
Energy: 0.9282541923974359
Energy: 0.9744098487892582
Energy: 0.9282541923989572
Energy: 1.1779167975111933
Energy: 1.0045051368665883
Energy: 0.9760211995483447
Energy: 1.004505136871913
Energy: 1.1341378504785726
Energy: 1.0815656886563165
Energy: 1.056539757766835
Energy: 1.0815656886578378
Energy: 1.0592971189852813
Energy: 0.9704915377006756
Energy: 0.9760662387041535
Energy: 0.9704915376983935
Energy: 1.056045606612862
Energy: 0.9619810078217986
Energy: 0.9614612044968479
Energy: 0.96198100782332
Energy: 1.1275002233398619
Energy: 0.9602584597819241
Energy: 0.9611485948022561
Energy: 0.9602584597811634
Energy: 1.2038203243996177
Energy: 0.9631036117612114
Energy: 0.9689991360050679
Energy: 0.9631036117703399
Energy: 1.1905714725663756
Energy: 1.0582103482905298
Energy: 0.9810553525499486
Energy: 1.058210348286726
Energy: 0.9446012642433604
Energy: 0.9338671389657931
Energy: 1.2311085713560521
Energy: 0.9338671389673147
Energy: 0.9393428230599922
Energy: 0.9326696779600377
Energy: 0.998625883325693
Energy: 0.9326696779585164
Energy: 0.9312645723320948
Energy: 0.9330841175237581
Energy: 0.9911299966707787
Energy: 0.9330841175184332
Energy: 0.9315606102750514
Energy: 0.9318538728592032
Energy: 1.2069283469620817
Energy: 0.9318538728683315
Energy: 1.2003481917735959
Energy: 0.9801362966609282
Energy: 0.9808954117451608
Energy: 0.9801362966571247
Energy: 1.2010266773176277
Energy: 0.9545966222732473
Energy: 0.9575896454719958
Energy: 0.9545966222724867
Energy: 1.093754326993836
Energy: 0.9538631754302244
Energy: 0.95693888104011
Energy: 0.9538631754302244
Energy: 0.9628190263536921
Energy: 0.9541053590607808
Energy: 0.9552446341643307
Energy: 0.9541053590645843

minimum gb energy = 0.9251382310929975 eV
minimum distance =  2.26926593190553 Angstroms
sigma value = 1


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

Energy: 1.4068263823202305
Energy: 0.9041211947295285
Energy: 0.9180068332848778
Energy: 0.9041211947274249
Energy: 0.9066474831364388
Energy: 0.9052413265006795
Energy: 1.106191377328217
Energy: 0.9052413265006795
Energy: 1.1062933489831817
Energy: 1.001436519070295
Energy: 1.1097121390263884
Energy: 1.001436519070295
Energy: 0.9278975533359617
Energy: 1.0019969785218958
Energy: 1.096451231356837
Energy: 1.0019969785218958
Energy: 0.904808354054414
Energy: 0.9023940932563734
Energy: 1.1031240771336364
Energy: 0.9023940932553216
Energy: 0.9020831795391667
Energy: 0.904830101067392
Energy: 1.103784649328885
Energy: 0.9048301010642368
Energy: 0.900616317769563
Energy: 0.9017306729396717
Energy: 1.0974850325127061
Energy: 0.9017306729365162
Energy: 0.905049666301534
Energy: 0.9072092456936606
Energy: 1.2588953426851732
Energy: 0.9072092456926087
Energy: 1.0996251513832052
Energy: 0.9512223509021916
Energy: 1.2585700910528366
Energy: 0.951222350906399
Energy: 1.1071969587096016
Energy: 0.911656057184991
Energy: 0.9271998938048712
Energy: 0.9116560571839392
Energy: 1.0984649768487755
Energy: 0.901821640382371
Energy: 0.9013373715490762
Energy: 0.901821640382371
Energy: 1.2607727253137169
Energy: 0.9122143782464969
Energy: 0.9026597499101272
Energy: 0.9122143782496522
Energy: 1.255640667391958
Energy: 0.9026055011212794
Energy: 0.9033939936075445
Energy: 0.9026055011191757
Energy: 1.0961080156951615
Energy: 1.002761000353453
Energy: 1.1086968548932377
Energy: 1.002761000353453
Energy: 0.9319224601667854
Energy: 1.000350471538526
Energy: 1.107272346290979
Energy: 1.0003504715395781
Energy: 0.934333238486808
Energy: 0.9040002049684465
Energy: 1.0970351820683066
Energy: 0.9040002049705261
Energy: 0.902794421276743
Energy: 0.9041999905056196
Energy: 1.1055445150691423
Energy: 0.9041999905066714
Energy: 0.9109621425833256
Energy: 0.9079042457293671
Energy: 1.1159377506082382
Energy: 0.9079042457262356
Energy: 0.9009640243421235
Energy: 0.9024974740898187
Energy: 1.2585679917305155
Energy: 0.9024974740940259
Energy: 0.9045795411408888
Energy: 0.9108203063840692
Energy: 1.2585854524843936
Energy: 0.9108203063819658
Energy: 1.1040446650034
Energy: 0.9436631534580002
Energy: 1.0968343887069998
Energy: 0.943663153459052
Energy: 1.1052053111332667
Energy: 0.9039627054915935
Energy: 0.9069730242111071
Energy: 0.9039627054936971
Energy: 1.0972721385206885
Energy: 0.90194788628908
Energy: 0.9024171748174077
Energy: 0.9019478862932871
Energy: 1.2554283443701615
Energy: 0.9028290763864488
Energy: 0.9026410554832373
Energy: 0.9028290763864488

minimum gb energy = 0.900616317769563 eV
minimum distance =  2.28809358551077 Angstroms
sigma value = 17


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

Energy: 1.5030717457450447
Energy: 0.8853600471756135
Energy: 1.0640893715556665
Energy: 0.894597395878133
Energy: 0.9110548465734908
Energy: 0.8942052701650761
Energy: 1.0211628954769816
Energy: 0.8942052701663763
Energy: 1.123508873012927
Energy: 0.8961953227073168
Energy: 1.044358135343225
Energy: 0.8961953227378717
Energy: 1.1799676500715213
Energy: 0.9384666976075556
Energy: 1.0135902621501467
Energy: 0.9384666976101559
Energy: 0.9977502308281943
Energy: 0.8732902021160475
Energy: 1.1810887500384226
Energy: 0.8732902021153974
Energy: 0.8739167573427487
Energy: 0.8726685534583871
Energy: 1.1597330867933602
Energy: 0.8726685534596873
Energy: 0.8737093737334805
Energy: 0.8725114110345765
Energy: 0.9090302681393624
Energy: 0.8725114110358768
Energy: 0.8818904969529676
Energy: 0.8757208063870597
Energy: 1.1647278675671109
Energy: 0.8757208063877098
Energy: 1.1499602923199777
Energy: 0.8758068783238581
Energy: 1.1222426649956956
Energy: 0.8758068783238581
Energy: 1.049445294718045
Energy: 0.942104883207879
Energy: 1.0331805046355604
Energy: 0.9421048832098293
Energy: 1.1467666937599206
Energy: 0.890577884259621
Energy: 0.9046951918628617
Energy: 0.8905778842570207
Energy: 1.1561347362469603
Energy: 0.896224965932235
Energy: 1.014647801374897
Energy: 0.8962249659341853
Energy: 1.1659483567165139
Energy: 0.8901299546639169
Energy: 0.8913447639563606
Energy: 0.8901299546613756
Energy: 0.8911529028129662
Energy: 0.8899881054945767
Energy: 0.8919418208526232
Energy: 0.8899881054965271
Energy: 1.1740945054476952
Energy: 0.892442665441085
Energy: 0.8987807565094724
Energy: 0.8924426654397847
Energy: 1.1627873703310936
Energy: 0.8914004902501523
Energy: 0.8946641541082562
Energy: 0.8914004902501523
Energy: 0.8906139519317308
Energy: 0.9976782663520416
Energy: 1.030329273527137
Energy: 0.9976782663526916
Energy: 0.8900147300667489
Energy: 0.8904023487288436
Energy: 1.1515804880505496
Energy: 0.8904023487288436
Energy: 0.9069530891486989
Energy: 0.8954040138326596
Energy: 1.016313003108388
Energy: 0.8954040138313593
Energy: 0.8917949335760795
Energy: 0.8905668128933292
Energy: 1.1630486126521187
Energy: 0.8905668128933292
Energy: 1.0303935883725601
Energy: 0.8924709748170871
Energy: 0.8916727943004961
Energy: 0.8924709748170871
Energy: 1.0445299457567647
Energy: 0.8934617810407002
Energy: 1.1728896985703574
Energy: 0.8934617810407002
Energy: 1.0140358843558122
Energy: 0.936509596679161
Energy: 1.1753231729425249
Energy: 0.9365095966811113
Energy: 1.1842940761598806
Energy: 0.8746714357691697
Energy: 0.9970742440933934
Energy: 0.8746714357665694
Energy: 1.1567936187083807
Energy: 0.872758314580477
Energy: 0.8728238174408232
Energy: 0.8727583145791769
Energy: 1.0145635644798212
Energy: 0.8737127795253848
Energy: 0.8769869780733015
Energy: 0.8737127795253848
Energy: 0.8791818116487964
Energy: 0.8755022216778391
Energy: 0.8797819468256812
Energy: 0.8755022216771889
Energy: 1.0166068102676251
Energy: 0.87601754133401
Energy: 1.1531609123329218
Energy: 0.8760175413327097
Energy: 1.0215914511186472
Energy: 0.9396525984428256
Energy: 1.0442346482225324
Energy: 0.939652598445426
Energy: 0.9059573038306455
Energy: 0.8902287277558969
Energy: 1.1455779738076934
Energy: 0.8902287277500461
Energy: 1.0137273988103783
Energy: 0.8903325106264744
Energy: 1.1606941522878995
Energy: 0.8903325106271245
Energy: 0.8904026396008697
Energy: 0.8902521388974435
Energy: 1.1622068902799452
Energy: 0.8902521388967933
Energy: 0.8898074081934563
Energy: 0.8892859483951584
Energy: 1.0391622512389034
Energy: 0.8892859483958085
Energy: 0.8978874223405643
Energy: 0.8942118930401668
Energy: 1.1781551442802234
Energy: 0.8942118930414671
Energy: 1.0434551181039888
Energy: 0.916957096220088
Energy: 1.1628951499416933
Energy: 0.9169570962220384
Energy: 1.348203937255085
Energy: 0.8951208443525259
Energy: 0.8919733942107185
Energy: 0.8951208443512257
Energy: 1.146948250024062
Energy: 0.8898659902074686
Energy: 0.8912220283048512
Energy: 0.8898659902074686
Energy: 1.1225406352314062
Energy: 0.8960521710652796
Energy: 0.8922207567506278
Energy: 0.8960521710671707

minimum gb energy = 0.8725114110345765 eV
minimum distance =  2.28904341418186 Angstroms
sigma value = 89


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

Energy: 1.8160726235374278
Energy: 0.8610168526537023
Energy: 0.8616601239520539
Energy: 0.861016852585701
Energy: 0.9662136214321535
Energy: 0.9389186421102502
Energy: 0.8759517485728133
Energy: 0.9389186421102502
Energy: 0.9773448383570027
Energy: 0.9399452892540948
Energy: 0.8794720665180098
Energy: 0.9399452892523937
Energy: 0.9998415794252954
Energy: 0.940926213024177
Energy: 0.807929435119286
Energy: 0.940926213024177
Energy: 0.9646160406793053
Energy: 0.8050589390961032
Energy: 0.9698018755676479
Energy: 0.8050589390961032
Energy: 0.9635681550996388
Energy: 0.8052949954875132
Energy: 0.9711987921324022
Energy: 0.8052949954858122
Energy: 0.9644771514405289
Energy: 0.804715891433252
Energy: 0.8091740667685033
Energy: 0.8047158914315509
Energy: 0.9633917697375064
Energy: 0.8133997220701475
Energy: 0.8049757152191847
Energy: 0.8133997220701475
Energy: 0.9662582815129365
Energy: 0.8061599899576259
Energy: 0.8055135397537856
Energy: 0.8061599899576259
Energy: 0.9648929042492703
Energy: 0.8811179574540043
Energy: 0.8147794377426675
Energy: 0.8811179574557053
Energy: 0.9647853976647895
Energy: 0.8834381250025687
Energy: 1.0012782371314124
Energy: 0.8834381250008676
Energy: 0.9694571983084529
Energy: 0.8620170921192783
Energy: 0.8071492449105819
Energy: 0.8620170921192783
Energy: 0.9697735692414504
Energy: 0.8611138902920131
Energy: 0.8739045215415778
Energy: 0.8611138902920131
Energy: 1.1251728846433284
Energy: 0.8584809916773662
Energy: 0.8590261198614085
Energy: 0.8584809916773662
Energy: 0.9916109726248956
Energy: 0.8603134256241608
Energy: 0.861018443407981
Energy: 0.8603134256207587

minimum gb energy = 0.8047158914315509 eV
minimum distance =  2.27789939896353 Angstroms
sigma value = 13


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

Energy: 1.4036035720721818
Energy: 0.7669302075838716
Energy: 0.9798840890651718
Energy: 0.7669302070942687
Energy: 0.8996399492883521
Energy: 0.7670148760165945
Energy: 0.9136115596713339
Energy: 0.7670148760158815
Energy: 0.7686868099067091
Energy: 0.7642975746764301
Energy: 0.921193015694901
Energy: 0.7642975746750044
Energy: 1.071479157928068
Energy: 0.7675154670561115
Energy: 0.9043819348755715
Energy: 0.767515467048982
Energy: 0.908616108655611
Energy: 0.7668122571855536
Energy: 1.087173024519711
Energy: 0.7668122571834148
Energy: 0.9055954488571517
Energy: 0.765529211445959
Energy: 0.8991753139643117
Energy: 0.7655292114473847
Energy: 0.905499170901347
Energy: 0.7644105147018557
Energy: 0.9010744031652073
Energy: 0.7644105147039945
Energy: 0.9045161210704734
Energy: 0.7634873478913414
Energy: 0.924143972282806
Energy: 0.7634873478863508
Energy: 0.7628439961102821
Energy: 0.7670560059002797
Energy: 0.906891446665614
Energy: 0.7670560059031315
Energy: 0.7634691834057384
Energy: 0.763999047298619
Energy: 0.9055001637031028
Energy: 0.763999047299332
Energy: 0.7660328142335191
Energy: 0.7770968257810926
Energy: 1.4042433130994207
Energy: 0.7770968257853703
Energy: 0.9005499036085581
Energy: 0.7632457322683732
Energy: 0.9060258432527657
Energy: 0.7632457322655215
Energy: 0.9016409544089108
Energy: 0.807819576055865
Energy: 0.899961196210339
Energy: 0.807819576055152
Energy: 0.9037908167830063
Energy: 0.8103818006085277
Energy: 1.0706146951038833
Energy: 0.8103818006078147
Energy: 0.9122849665339423
Energy: 0.7661885535708928
Energy: 0.9044569789249169
Energy: 0.7661885535716058
Energy: 0.9097701886508307
Energy: 0.7656643058429391
Energy: 0.7690206036941096
Energy: 0.7656643058400874
Energy: 1.059965241956764
Energy: 0.7641443057556908
Energy: 0.7666123408918667
Energy: 0.7641443057478484
Energy: 0.7699003268488509
Energy: 0.7671909837287928
Energy: 0.7658597028216593
Energy: 0.7671909837238021
Energy: 1.0281676297692854
Energy: 0.7666441414470265
Energy: 0.9004515051218966
Energy: 0.7666441414434618
Energy: 0.9047271802790653
Energy: 0.7636718969680096
Energy: 0.9210052679204924
Energy: 0.7636718969708614
Energy: 1.0753662880376724
Energy: 0.7644311402151759
Energy: 0.9009242435008801
Energy: 0.764431140214463
Energy: 0.9048862016168693
Energy: 0.8201504677552102
Energy: 0.8998266767876957
Energy: 0.8201504677509324
Energy: 0.9072661652966476
Energy: 0.7675955750713327
Energy: 1.0875897420595244
Energy: 0.767595575066342
Energy: 0.7690076398441149
Energy: 0.7630383695712417
Energy: 1.0596595328586462
Energy: 0.7630383695712417
Energy: 0.9020536295900946
Energy: 0.7647627473020856
Energy: 0.9095056120981035
Energy: 0.7647627472957339
Energy: 0.765215927182004
Energy: 0.7631058440111663
Energy: 0.9090796508905729
Energy: 0.7631058440204347
Energy: 0.7633299919960151
Energy: 0.7627955308123886
Energy: 1.062232613549955
Energy: 0.7627955308166663
Energy: 0.7785891425041236
Energy: 0.7673920265059258
Energy: 0.7704390822966066
Energy: 0.7673920265044997
Energy: 0.8995722619695435
Energy: 0.7664129963996898
Energy: 1.029545268277093
Energy: 0.7664129964032546
Energy: 0.9209634831216037
Energy: 0.8108600296283337
Energy: 0.8997002765429294
Energy: 0.810860029624056
Energy: 0.9019867273629235
Energy: 0.8078490944617509
Energy: 1.0758832244575887
Energy: 0.8078490944638897
Energy: 0.9096871049689814
Energy: 0.765021568410558
Energy: 0.8999029189871678
Energy: 0.7650215684077062
Energy: 0.9114807686716638
Energy: 0.7659765751842119
Energy: 0.7810653596992266
Energy: 0.7659765751792212
Energy: 1.0624140156789526
Energy: 0.7626683234743159
Energy: 0.7635048097684276
Energy: 0.762668323475742
Energy: 1.02842253418148
Energy: 0.7648125949306364
Energy: 0.7684344441772476
Energy: 0.7648125949327752

minimum gb energy = 0.7626683234743159 eV
minimum distance =  2.29561561593484 Angstroms
sigma value = 37


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

Energy: 1.3707879999772228
Energy: 0.7131456776837184
Energy: 0.7128075270049345
Energy: 0.7131456776714803
Energy: 1.1591270550217843
Energy: 0.7122820354941641
Energy: 0.9553073398783978
Energy: 0.7122820354929376
Energy: 1.0553913112044173
Energy: 0.7110429860126264
Energy: 0.9504885372538756
Energy: 0.7110429860126264
Energy: 1.0567144891513838
Energy: 0.79747979545635
Energy: 0.9314993614433935
Energy: 0.79747979545635
Energy: 1.159378635563045
Energy: 0.7015086136445898
Energy: 1.0625523412940157
Energy: 0.7015086136458165
Energy: 0.8313675646213663
Energy: 0.7012011569676829
Energy: 1.0511264142239234
Energy: 0.7012011569676829
Energy: 0.8276369169964302
Energy: 0.7002875811308086
Energy: 1.1572658484335272
Energy: 0.7002875811308086
Energy: 0.8271192795173968
Energy: 0.6938117913957405
Energy: 1.0802309437031439
Energy: 0.693811791396967
Energy: 0.8159462040173017
Energy: 0.6961606190054319
Energy: 1.0610082101846547
Energy: 0.6961606190066585
Energy: 0.8154221708027491
Energy: 0.6906185812205561
Energy: 1.1560458022872624
Energy: 0.6906185812217827
Energy: 0.8525949290290669
Energy: 0.852362663569155
Energy: 1.2237645097246128
Energy: 0.8523626635679284
Energy: 1.0501152502609696
Energy: 0.6905481028245178
Energy: 1.1560050159313353
Energy: 0.6905481028257445
Energy: 1.0483519163372677
Energy: 0.6900462772063398
Energy: 1.055517405608506
Energy: 0.6900462772051132
Energy: 1.0502317593173907
Energy: 0.7764672972115066
Energy: 1.057184926102589
Energy: 0.77646729721028
Energy: 1.0625523412940157
Energy: 0.7866370997377017
Energy: 1.156864108772096
Energy: 0.7866370997389283
Energy: 1.0511264142680814
Energy: 0.7849992271381042
Energy: 0.8176227606969908
Energy: 0.7849992271405574
Energy: 1.1601062875752652
Energy: 0.7847134160181405
Energy: 0.8276520846066158
Energy: 0.7847134160193671
Energy: 1.08023094331693
Energy: 0.7110907181489843
Energy: 0.6920044952211969
Energy: 0.711090718146531
Energy: 1.0610082101601503
Energy: 0.7146301204715266
Energy: 0.7113997419584491
Energy: 0.7146301204703001
Energy: 1.1640504744750981
Energy: 0.7124654074665518
Energy: 0.7197922740906405
Energy: 0.7124654074677784

minimum gb energy = 0.6900462772051132 eV
minimum distance =  2.2902124522073 Angstroms
sigma value = 25


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

Energy: 1.5745489390241436
Energy: 0.6257077636979578
Energy: 0.8742479371463541
Energy: 0.6257077640129498
Energy: 1.3185341983503498
Energy: 0.6240724087028996
Energy: 0.8217022566933138
Energy: 0.6240724087019418
Energy: 1.2336753482173335
Energy: 0.6230357629077774
Energy: 0.8189387539145638
Energy: 0.6230357629106509
Energy: 1.0776835112910705
Energy: 0.630712542966109
Energy: 0.9722719241102867
Energy: 0.6307125429641933
Energy: 1.1621853451472748
Energy: 0.6907171833960868
Energy: 1.1660441875826175
Energy: 0.6907171833960868
Energy: 1.0799602808943485
Energy: 0.688995090032511
Energy: 1.1623013262638562
Energy: 0.6889950900363422
Energy: 1.0828674156191014
Energy: 0.6205319751867107
Energy: 1.155304802315584
Energy: 0.620531975184795
Energy: 0.79736552589509
Energy: 0.6179181791511721
Energy: 1.2280564361245212
Energy: 0.6179181791473408
Energy: 0.8151303268614852
Energy: 0.6193039090322342
Energy: 1.1582310711889603
Energy: 0.6193039090456438
Energy: 0.802002932868736
Energy: 0.6202419392278181
Energy: 1.3032774237494316
Energy: 0.6202419392268604
Energy: 0.714125206878175
Energy: 0.6202751564953184
Energy: 1.3463279399899997
Energy: 0.6202751564972339
Energy: 0.7176976357895261
Energy: 0.6206029132503408
Energy: 1.3034832985855267
Energy: 0.6206029132512985
Energy: 0.7174304017984283
Energy: 0.6152030337823605
Energy: 1.3020083422121016
Energy: 0.6152030337804449
Energy: 0.7246073687317053
Energy: 0.6128513740658069
Energy: 1.300440361772652
Energy: 0.6128513740629336
Energy: 0.9093980477609012
Energy: 0.612809321445024
Energy: 1.308413161456314
Energy: 0.612809321445024
Energy: 0.9066112937839447
Energy: 0.6140941941824275
Energy: 1.234681276146907
Energy: 0.6140941941843432
Energy: 0.9984116942096044
Energy: 0.6148707896279956
Energy: 1.2357836030883187
Energy: 0.6148707896279956
Energy: 0.9157754404836773
Energy: 0.6893229754143657
Energy: 1.0072495379467772
Energy: 0.6893229754153235
Energy: 1.1428357729718086
Energy: 0.6866112994993662
Energy: 1.0822194944028616
Energy: 0.6866112995012817
Energy: 1.3193769583248023
Energy: 0.6855455259027821
Energy: 1.0794978140385703
Energy: 0.6855455259018243
Energy: 1.347359826721199
Energy: 0.6835447968969376
Energy: 0.8207140149283794
Energy: 0.6835447968998111
Energy: 1.3198405595710916
Energy: 0.6223980130711652
Energy: 0.7174193839751906
Energy: 0.6223980130702075
Energy: 1.2367801450778335
Energy: 0.6257650597333558
Energy: 0.8134057466119585
Energy: 0.6257650597371872
Energy: 1.2278986469603805
Energy: 0.6323179018357554
Energy: 0.6298561426876735
Energy: 0.6323179018386289
Energy: 1.316504834667141
Energy: 0.623125778745784
Energy: 0.6244837705951072
Energy: 0.623125778745784
Energy: 1.23260646262275
Energy: 0.6241941026240351
Energy: 0.6283453209078493
Energy: 0.6241941026240351

minimum gb energy = 0.612809321445024 eV
minimum distance =  2.29405306469767 Angstroms
sigma value = 41


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

Energy: 1.6040006126882018
Energy: 0.5706885617552729
Energy: 0.8235714290872092
Energy: 0.5607337809231013
Energy: 1.4021248707670806
Energy: 0.5583637707391215
Energy: 0.7174728694106691
Energy: 0.5583637707430477
Energy: 1.4034215975174866
Energy: 0.5567513984086676
Energy: 0.7224413340383995
Energy: 0.5567513984086676
Energy: 1.1538514854570974
Energy: 0.5593881250768187
Energy: 0.8906232687404556
Energy: 0.5593881250776039
Energy: 1.2776170148570414
Energy: 0.5549245619611686
Energy: 1.0180189032921056
Energy: 0.55492456196588
Energy: 1.1467763553305916
Energy: 0.5568091360679798
Energy: 1.0133382444547647
Energy: 0.556809136068765
Energy: 1.1511545096092
Energy: 0.6131714298341353
Energy: 1.1529517389178514
Energy: 0.6131714298349205
Energy: 1.0212434961544627
Energy: 0.6179576760001266
Energy: 1.0201622561074293
Energy: 0.617957676000912
Energy: 0.8806736859642268
Energy: 0.5574896148346439
Energy: 1.274518272074685
Energy: 0.5574896148354291
Energy: 0.8800376329481054
Energy: 0.5553116249165122
Energy: 1.2787261228775664
Energy: 0.555311624915727
Energy: 0.7279331176204794
Energy: 0.5612486137740091
Energy: 1.271523141940656
Energy: 0.5612486137747945
Energy: 0.7191084941344408
Energy: 0.556111817964164
Energy: 1.4030901164505039
Energy: 0.556111817964164
Energy: 0.7182513760879743
Energy: 0.5585134631110811
Energy: 1.4071408677879802
Energy: 0.5585134631095106
Energy: 0.5660189007911974
Energy: 0.5599392752818575
Energy: 1.2706710361761728
Energy: 0.5599392752818575
Energy: 0.5577092630314514
Energy: 0.5574803632223341
Energy: 1.4009672429046105
Energy: 0.5574803632215488
Energy: 0.562202889405855
Energy: 0.5580122027704473
Energy: 1.4044412337540244
Energy: 0.5580122027712324
Energy: 0.7254121361076257
Energy: 0.5600694936312512
Energy: 1.4085182768167162
Energy: 0.5600694936320365
Energy: 0.7191666973765872
Energy: 0.5553444609131294
Energy: 1.3999803264430402
Energy: 0.5553444609147
Energy: 0.7197316426748248
Energy: 0.5599137559897803
Energy: 1.1486963167987152
Energy: 0.559913755988995
Energy: 1.0141351432862051
Energy: 0.5578292913801284
Energy: 1.1468502358815333
Energy: 0.557829291379343
Energy: 1.0216550434770608
Energy: 0.5559457625416245
Energy: 1.2722201208737542
Energy: 0.5559457625408392
Energy: 1.0149339128749808
Energy: 0.6113847647811786
Energy: 1.1542430075957897
Energy: 0.6113847647858901
Energy: 1.2747192797675426
Energy: 0.6095320021297295
Energy: 1.1444263912512425
Energy: 0.6095320021289443
Energy: 1.0191332196037635
Energy: 0.611909159611215
Energy: 1.0141704264345208
Energy: 0.6119091596120002
Energy: 1.2729457007038465
Energy: 0.5556934254599921
Energy: 0.8816395868866012
Energy: 0.5556934254592069
Energy: 1.2748199864598002
Energy: 0.5574915666272856
Energy: 1.0147103386869625
Energy: 0.5574915666257151
Energy: 1.2811128112851329
Energy: 0.5607392792628689
Energy: 0.71958448856958
Energy: 0.5607392792628689
Energy: 1.3994497835576967
Energy: 0.555734731664172
Energy: 0.7206705790791947
Energy: 0.555734731664172
Energy: 1.278535104325863
Energy: 0.5596240273281861
Energy: 0.7235688604885799
Energy: 0.5596240273250451
Energy: 1.2761628439043409
Energy: 0.5595776804929296
Energy: 0.5584654457056948
Energy: 0.559577680491359
Energy: 1.4004234985585249
Energy: 0.557312458690937
Energy: 0.5572562670504779
Energy: 0.5573124586925075
Energy: 1.3955324423700992
Energy: 0.558392444056069
Energy: 0.5654423353389264
Energy: 0.558392444056069

minimum gb energy = 0.5549245619611686 eV
minimum distance =  2.30553153309778 Angstroms
sigma value = 15


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

Energy: 1.383285753992904
Energy: 0.5247331629756165
Energy: 0.7887534787569682
Energy: 0.5190302926014765
Energy: 1.4708059118378265
Energy: 0.5141399964057959
Energy: 0.6501707572229362
Energy: 0.5141399964051306
Energy: 1.4694847613707152
Energy: 0.512702417149059
Energy: 0.6537344888561912
Energy: 0.5127024171483937
Energy: 1.2570737782199575
Energy: 0.5163041092625348
Energy: 0.9147379361532548
Energy: 0.5163041092618695
Energy: 1.2518150732717543
Energy: 0.5099777311434676
Energy: 0.9075522226730041
Energy: 0.509977731179329
Energy: 1.2501095955648511
Energy: 0.5110001295085221
Energy: 0.9051244214374687
Energy: 0.5110001303776034
Energy: 1.0241538002950274
Energy: 0.5192572737617362
Energy: 1.1360060568789534
Energy: 0.5192572737590755
Energy: 1.1402359062109966
Energy: 0.5613442618077391
Energy: 0.9066225088999454
Energy: 0.5613442618057435
Energy: 1.0230610232244934
Energy: 0.5567609048083292
Energy: 1.13363326226812
Energy: 0.5567609048109899
Energy: 1.0216668186629103
Energy: 0.557824927399942
Energy: 1.3553553788858768
Energy: 0.5578249273992769
Energy: 0.9125164851563595
Energy: 0.5143213151109786
Energy: 1.1472633210130956
Energy: 0.514321315112309
Energy: 0.7860451130834327
Energy: 0.5098964272821731
Energy: 1.3556394025463143
Energy: 0.509896427281508
Energy: 0.9061123261335834
Energy: 0.51105390859631
Energy: 1.3584299323198432
Energy: 0.5110539085923186
Energy: 0.6592286209137452
Energy: 0.5160802214119713
Energy: 1.1438766508093727
Energy: 0.5160802214119713
Energy: 0.6489461257937369
Energy: 0.5108457083589161
Energy: 1.4654581607445134
Energy: 0.5108457083595812
Energy: 0.6567227634339902
Energy: 0.5143538211468913
Energy: 1.360925254441292
Energy: 0.5143538211462262
Energy: 0.5177568104494101
Energy: 0.5151447761304452
Energy: 1.3666180062378825
Energy: 0.5151447761291146
Energy: 0.5118653657844406
Energy: 0.5113934509920974
Energy: 1.4645704540275113
Energy: 0.5113934509940931
Energy: 0.5174014203807863
Energy: 0.5151217697045883
Energy: 1.2544406149281147
Energy: 0.5151217697059187
Energy: 0.6570343447033148
Energy: 0.5164412357076857
Energy: 1.471999684617752
Energy: 0.516441235708351
Energy: 0.6473335893467015
Energy: 0.5112958629175388
Energy: 1.4651592278185133
Energy: 0.5112958629155431
Energy: 0.6588726957586387
Energy: 0.515688533742405
Energy: 1.2571089579966865
Energy: 0.5156885337417397
Energy: 0.9053122251562206
Energy: 0.5122554688710865
Energy: 1.247690104301926
Energy: 0.5122554688724169
Energy: 0.908686887942158
Energy: 0.5105736614599667
Energy: 1.3570817940512474
Energy: 0.5105736614593015
Energy: 0.913345670320718
Energy: 0.5141993462406969
Energy: 1.0313206445242766
Energy: 0.5141993462446882
Energy: 1.136182744380676
Energy: 0.5576746325583186
Energy: 1.2563886867157743
Energy: 0.5576746325609795
Energy: 0.906932481000075
Energy: 0.5569517062470865
Energy: 1.1348857587599703
Energy: 0.5569517062450907
Energy: 1.1415917398170532
Energy: 0.5621433832920715
Energy: 1.0309280621935337
Energy: 0.5621433832934019
Energy: 1.1390669063691476
Energy: 0.5181858305659479
Energy: 1.1364691039543457
Energy: 0.5181858305686088
Energy: 1.136726362817771
Energy: 0.5112243626644211
Energy: 0.9060582300291139
Energy: 0.5112243626178558
Energy: 1.3619523720797158
Energy: 0.5101805242314246
Energy: 0.7857070293528947
Energy: 0.5101805242261029
Energy: 1.1425813940831095
Energy: 0.5178578664668513
Energy: 0.9129587240302456
Energy: 0.5178578664382468
Energy: 1.3591332763354818
Energy: 0.5133071432449406
Energy: 0.6542555091464771
Energy: 0.5133071432456059
Energy: 1.3563295220071403
Energy: 0.5128664239401504
Energy: 0.654054671311662
Energy: 0.5128664239408155
Energy: 1.3699698207578792
Energy: 0.5164545345094119
Energy: 0.5277366693658859
Energy: 0.5164545345107423
Energy: 1.4701026117752904
Energy: 0.5154354523039528
Energy: 0.5168043678993841
Energy: 0.5154354523046182
Energy: 1.4668474039377966
Energy: 0.5138975280329845
Energy: 0.5139954694598181
Energy: 0.513897528034315

minimum gb energy = 0.509896427281508 eV
minimum distance =  2.30810773669878 Angstroms
sigma value = 85


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

Energy: 1.48096198349593
Energy: 0.47750040051781956
Energy: 0.4620148647354558
Energy: 0.46263948670104055
Energy: 1.4025940640257708
Energy: 0.4608822552846169
Energy: 0.5821643428367023
Energy: 0.4608822552846169
Energy: 1.3088740440592679
Energy: 0.4603853372786278
Energy: 0.5850256205882236
Energy: 0.4603853372792048
Energy: 1.1072007171168223
Energy: 0.4637126953422589
Energy: 0.8084440635330414
Energy: 0.46371269534168197
Energy: 1.3112492332424086
Energy: 0.45864870922984313
Energy: 0.8081247998879059
Energy: 0.45864870923099715
Energy: 1.1105064193485825
Energy: 0.45964703994649514
Energy: 0.8084004253191284
Energy: 0.459647039948226
Energy: 1.108643846853989
Energy: 0.46032230507662164
Energy: 1.0139680698126143
Energy: 0.4603223050760447
Energy: 1.2098274991481113
Energy: 0.4600205385073564
Energy: 0.805279028107389
Energy: 0.4600205385085103
Energy: 1.1144946707561252
Energy: 0.4593351423334937
Energy: 1.0105611589077328
Energy: 0.4593351423450327
Energy: 1.1133727031453522
Energy: 0.5386422326324745
Energy: 1.2083877489983954
Energy: 0.5386422326330514
Energy: 1.0109370624200191
Energy: 0.5382611075231598
Energy: 1.009857971824637
Energy: 0.5382611075196981
Energy: 0.9124267837971267
Energy: 0.4600152855463835
Energy: 1.2089892726078426
Energy: 0.4600152854835224
Energy: 1.0100746874244988
Energy: 0.4610053407199043
Energy: 1.2099710978390663
Energy: 0.4610053407158657
Energy: 0.8076589752992283
Energy: 0.4609550306909177
Energy: 1.0074701997048061
Energy: 0.4609550306949563
Energy: 0.6957034566197025
Energy: 0.4588259968086612
Energy: 1.4015374267795786
Energy: 0.45882599680923813
Energy: 0.810714559019833
Energy: 0.46128336544516163
Energy: 1.2111254173284651
Energy: 0.4612833654445847
Energy: 0.5848765624779965
Energy: 0.4643719600059177
Energy: 1.2081870913468638
Energy: 0.4643719600070716
Energy: 0.5786827102761768
Energy: 0.45904069425048105
Energy: 1.4981033162403263
Energy: 0.45904069424932714
Energy: 0.5814152844745062
Energy: 0.4593733439840433
Energy: 1.4012995425392838
Energy: 0.4593733439828893
Energy: 0.4620283947972134
Energy: 0.46279435897084076
Energy: 1.4011014923400888
Energy: 0.4627943589714177
Energy: 0.4601836986118934
Energy: 0.4591509880531138
Energy: 1.498187351592621
Energy: 0.4591509880525368
Energy: 0.459815953208759
Energy: 0.4598426661698125
Energy: 1.3058359347904527
Energy: 0.4598426661692356
Energy: 0.5857857032141731
Energy: 0.46128057512953097
Energy: 1.4944857708226473
Energy: 0.46128057513126186
Energy: 0.5802182724408328
Energy: 0.45895584380599563
Energy: 1.5012503719946866
Energy: 0.45895584380599563
Energy: 0.5816303739661473
Energy: 0.4596263120763517
Energy: 1.1073265480172791
Energy: 0.4596263120775056
Energy: 0.807363803557285
Energy: 0.459372086397093
Energy: 1.4995113818652215
Energy: 0.45937208639651606
Energy: 0.8076471847884781
Energy: 0.45901099699324754
Energy: 1.3076346086305055
Energy: 0.4590109969696189
Energy: 0.9224463825561178
Energy: 0.46172081840508017
Energy: 1.109030044837411
Energy: 0.4617208184108496
Energy: 1.0141681372599265
Energy: 0.45894709687530527
Energy: 1.312283945909414
Energy: 0.45894709687819
Energy: 1.0112822769146403
Energy: 0.45971989192126417
Energy: 1.1104027225772373
Energy: 0.45971989197027846
Energy: 1.211513822808542
Energy: 0.5393138682917653
Energy: 0.9104643774608396
Energy: 0.5393138682917653
Energy: 1.0091629903445714
Energy: 0.5387047275783651
Energy: 1.1173904489549453
Energy: 0.5387047275847116
Energy: 1.2102691683127713
Energy: 0.4594484175742394
Energy: 0.908769771575622
Energy: 0.4594484175655852
Energy: 1.313716001288647
Energy: 0.4603799583492053
Energy: 0.9099486791153194
Energy: 0.4603799583474744
Energy: 1.0078681129269114
Energy: 0.4615865051587816
Energy: 0.8082944299816603
Energy: 0.4615865052020527
Energy: 1.4038123249927517
Energy: 0.4588857324891116
Energy: 0.8071563382565843
Energy: 0.45888573248680375
Energy: 1.40441601984145
Energy: 0.4596031693415127
Energy: 0.8073724270489164
Energy: 0.4596031693403587
Energy: 1.2079145866483814
Energy: 0.45964892526490425
Energy: 0.5820323960020988
Energy: 0.4596489252654812
Energy: 1.5006556409479377
Energy: 0.4587771936299489
Energy: 0.5801286569780244
Energy: 0.4587771936299489
Energy: 1.4011126060567298
Energy: 0.46397663527880556
Energy: 0.5861608463173066
Energy: 0.46397663527880556
Energy: 1.2066919540232255
Energy: 0.46303548049976645
Energy: 0.4590420442718002
Energy: 0.46303548050034343
Energy: 1.4980610037713522
Energy: 0.45908145255281907
Energy: 0.4595806330685934
Energy: 0.45908145255224214
Energy: 1.3058285549125213
Energy: 0.46325607952586634
Energy: 0.4590267293172507
Energy: 0.4632560795264433

minimum gb energy = 0.45864870922984313 eV
minimum distance =  2.30688818527159 Angstroms
sigma value = 113


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

Energy: 0.015448590501626391
Energy: 0.412070679279693
Energy: 1.1478594931966881
Energy: 0.41207067927927404
Energy: 0.8376395278312058
Energy: 0.10534339683544658
Energy: 0.8385668880740665
Energy: 0.10534339683544658
Energy: 0.015975023764981378
Energy: 0.10382060178763212
Energy: 0.8371711719615417
Energy: 0.10382060178807567
Energy: 0.01719541452952417
Energy: 0.10625136127305726
Energy: 0.8402841345426005
Energy: 0.10625136127350078
Energy: 0.839265506513223
Energy: 0.10564514261868901
Energy: 0.8397152118721738
Energy: 0.10564514261913255
Energy: 0.016015239071119947
Energy: 0.10361106776260795
Energy: 0.8369530390825783
Energy: 0.10361106776260795

minimum gb energy = 0.015448590501626391 eV
minimum distance =  2.5216473740734 Angstroms
sigma value = 1