Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
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: 0.012680189854937875
Energy: 0.01346111251300742
Energy: 1.5445220178577503
Energy: 0.01346111251300742
Energy: 0.01346111251300742
Energy: 0.012867927477496443
Energy: 0.16586483653841005
Energy: 0.012867927477496443
Energy: 1.5445220226855816
Energy: 0.16586483653841005
Energy: 0.16585568977495202
Energy: 0.16586483653841005
Energy: 0.01346111251300742
Energy: 0.012867927477496443
Energy: 0.16586483653841005
Energy: 0.012867927477496443

minimum gb energy = 0.012680189854937875 eV
minimum distance =  2.48255283582062 Angstroms
sigma value = 1


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

Energy: 1.2199876400366998
Energy: 0.8399382288566061
Energy: 2.9171569444727905
Energy: 0.8399382288506219
Energy: 1.4286289167813162
Energy: 0.8340078398951507
Energy: 0.8606905028947057
Energy: 0.8340078398951507
Energy: 1.8094020230118761
Energy: 0.8463553049806636
Energy: 0.8729082187945437
Energy: 0.8463553049830793
Energy: 1.1690013010069698
Energy: 0.8371362058366144
Energy: 0.852784734880983
Energy: 0.8371362058378223
Energy: 1.187060132125938
Energy: 0.8378985070525218
Energy: 1.1908509998323267
Energy: 0.837898507051314
Energy: 1.4581713115339467
Energy: 0.8370441282196184
Energy: 0.8347456944233885
Energy: 0.8370441282184654
Energy: 1.0062281325554419
Energy: 0.9267487184070313
Energy: 0.8368767953266778
Energy: 0.926748718409447
Energy: 0.8356932994212005
Energy: 0.8344742796504725
Energy: 1.1840958896700509
Energy: 0.8344742796456409
Energy: 1.0168938170374127
Energy: 0.8351645880034407
Energy: 1.1555147209571746
Energy: 0.8351645880058564
Energy: 1.4800956421856968
Energy: 0.8353901972666399
Energy: 1.0155773977890266
Energy: 0.8353901972642243
Energy: 0.8693312774139057
Energy: 0.9261654710733278
Energy: 1.180655699397387
Energy: 0.92616547107212
Energy: 0.84712114561825
Energy: 0.8454599639675637
Energy: 2.0088730068815397
Energy: 0.8454599639687714
Energy: 1.0217182686955608
Energy: 0.9267150599762466
Energy: 1.1896179608157798
Energy: 0.9267150599798701
Energy: 0.8525389389186767
Energy: 0.8697162308235726
Energy: 1.1742712823627568
Energy: 0.8697162308259883
Energy: 0.9127887739633544
Energy: 0.8359076720333865
Energy: 1.4515232602685493
Energy: 0.8359076720345943
Energy: 0.8479016129109866
Energy: 0.8368047370305679
Energy: 1.4499113119701839
Energy: 0.8368047370305679
Energy: 0.8497470184453568
Energy: 0.8691176127407924
Energy: 1.1593990525313778
Energy: 0.8691176127420003
Energy: 1.0180456940161462
Energy: 0.926504805876654
Energy: 1.1888294973465152
Energy: 0.926504805876654
Energy: 0.8497851890192522
Energy: 0.8464074324700812
Energy: 1.8023081144137956
Energy: 0.8464074324628341
Energy: 0.9297528898885674
Energy: 0.9273998932234898
Energy: 1.0096740837852878
Energy: 0.9273998932210741
Energy: 1.4849528531292118
Energy: 0.872919026297813
Energy: 1.0167703791494507
Energy: 0.8729190261988253
Energy: 1.0288307992260377
Energy: 0.8369409691683539
Energy: 1.172396358451063
Energy: 0.8369409691659384
Energy: 0.988843155574253
Energy: 0.835096439227268
Energy: 1.0204121457444422
Energy: 0.8350964392248523
Energy: 1.1595286579439457
Energy: 0.9229041704881717
Energy: 0.8348020357790166
Energy: 0.9229041704881717
Energy: 1.4633190373850005
Energy: 0.836145163150762
Energy: 0.8799194772404157
Energy: 0.8361451631519699
Energy: 1.186655492007864
Energy: 0.8544065306839771
Energy: 1.1640691860745536
Energy: 0.8544065306839771
Energy: 1.1884815779676179
Energy: 0.8370909327820749
Energy: 0.8499066761156165
Energy: 0.8370909327736201
Energy: 1.8098689879283114
Energy: 0.8480158525155679
Energy: 0.8715741883961756
Energy: 0.8480158525143601
Energy: 1.4329136045583042
Energy: 0.8515533820468896
Energy: 0.8653828030519709
Energy: 0.8515533820456819
Energy: 1.1839021237061151
Energy: 0.8829137228208936
Energy: 0.8471936916216475
Energy: 0.8829137228245171
Energy: 1.446322301750574
Energy: 0.834887991419323
Energy: 0.8547797650641488
Energy: 0.8348879914217388
Energy: 1.4534137409275334
Energy: 0.846173589584113
Energy: 0.8482753856931687
Energy: 0.846173589584113
Energy: 1.1876061467699075
Energy: 0.8372635233522319
Energy: 0.8628816674045395
Energy: 0.8372635233534397

minimum gb energy = 0.8340078398951507 eV
minimum distance =  2.3370794005688 Angstroms
sigma value = 1


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

Energy: 1.387501278962129
Energy: 0.878196657487859
Energy: 2.96285280129775
Energy: 0.8781966574919904
Energy: 1.2642098430456452
Energy: 0.9175523092279877
Energy: 0.9329007747153456
Energy: 0.9175523092266106
Energy: 1.2879609317384904
Energy: 0.9533858963440188
Energy: 0.9555450933061812
Energy: 0.953385896196727
Energy: 0.8868771898493442
Energy: 0.986654049281714
Energy: 0.9283797541365997
Energy: 0.986654049291354
Energy: 0.8874572273221254
Energy: 0.8792957742757074
Energy: 1.3063668884589248
Energy: 0.8792957739013119
Energy: 1.3070824056901296
Energy: 0.9027140698665442
Energy: 0.9054743182565784
Energy: 0.9027140698665442
Energy: 0.8848746418753815
Energy: 0.9931376006671854
Energy: 0.9055963981442376
Energy: 0.9931376006699396
Energy: 0.9080642114870181
Energy: 0.9048038928072715
Energy: 1.2993207334191974
Energy: 0.9048038928058943
Energy: 0.9566438033036131
Energy: 0.8894136267236846
Energy: 1.302069286065164
Energy: 0.8894136267250617
Energy: 0.9134206366020088
Energy: 0.8841365948740485
Energy: 0.8725448921337295
Energy: 0.8841365948740485
Energy: 0.9063680548725128
Energy: 0.8910777998651881
Energy: 1.2889749745862478
Energy: 0.8910777998885682
Energy: 0.8994018626700874
Energy: 0.9017860056258231
Energy: 1.9901730153618882
Energy: 0.901786005624446
Energy: 0.9305683595895198
Energy: 0.9884344593741996
Energy: 1.2572137499198477
Energy: 0.9884344593411482
Energy: 0.9305683595936513
Energy: 0.9728374153750423
Energy: 1.2498605986250875
Energy: 0.972837415372288
Energy: 0.8930699659562821
Energy: 0.8944828518535409
Energy: 2.0125775006770765
Energy: 0.894482851863181
Energy: 0.9060832033159477
Energy: 0.8963700322560518
Energy: 1.3182690608403385
Energy: 0.8963700322615603
Energy: 0.9134205392398429
Energy: 0.8841486187929635
Energy: 0.8432693899223436
Energy: 0.8841486187929635
Energy: 0.9563056720345332
Energy: 0.8892372552960799
Energy: 1.3055374646788631
Energy: 0.8892372552960799
Energy: 0.9080504354908047
Energy: 0.9048182533179182
Energy: 1.299320733395786
Energy: 0.9048182533179182
Energy: 0.9004557410818376
Energy: 1.0039525881271425
Energy: 0.9055859499907721
Energy: 1.0039525881285194
Energy: 1.3048366610112654
Energy: 0.902698316198601
Energy: 0.9054409930203063
Energy: 0.9026983161972238
Energy: 0.8873423149657739
Energy: 0.9055988457602212
Energy: 1.3063668884740733
Energy: 0.905598845768484
Energy: 0.8763954765991574
Energy: 0.9890934984514773
Energy: 0.9283797541379768
Energy: 0.9890934984514773
Energy: 1.3097416435337437
Energy: 0.9404918345871021
Energy: 0.9555557111723765
Energy: 0.9404918346008423
Energy: 1.3001932905901055
Energy: 0.9204637544398286
Energy: 0.9329007747098371
Energy: 0.9204637544398286
Energy: 1.387476629740442
Energy: 0.878196657500222
Energy: 2.962852801294996
Energy: 0.8781966574768417
Energy: 1.2642098466480358
Energy: 0.9175523092348422
Energy: 0.9329007747139685
Energy: 0.9175523092334649
Energy: 1.287960929585607
Energy: 0.953385896316476
Energy: 0.9555450933061812
Energy: 0.9533858962531587
Energy: 0.8868771898479668
Energy: 0.9866540492844682
Energy: 0.9283797541393539
Energy: 0.9866540492927312

minimum gb energy = 0.8432693899223436 eV
minimum distance =  2.33312402540958 Angstroms
sigma value = 25


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

Energy: 1.1726111917191946
Energy: 1.2082477203705955
Energy: 2.8904274738705213
Energy: 1.2082477212378817
Energy: 1.441805679153656
Energy: 0.946376058444198
Energy: 1.0084783579390624
Energy: 0.9463760584457989
Energy: 1.4605771442743924
Energy: 0.9981290332751922
Energy: 1.0190756971866761
Energy: 0.9981290332847976
Energy: 1.1355648644620673
Energy: 0.9132888037117223
Energy: 1.110035830052075
Energy: 0.9132888360979213
Energy: 1.1340498020358052
Energy: 0.9036077684640526
Energy: 1.168748023029591
Energy: 0.9036077684944696
Energy: 1.4422324191569522
Energy: 0.906499175703537
Energy: 0.9412268111778759
Energy: 0.9064991735704861
Energy: 1.0801129706276507
Energy: 1.0025504287070945
Energy: 0.8882408967627361
Energy: 1.0025504287054936
Energy: 0.9954297367881767
Energy: 0.9661156929921656
Energy: 1.4989571588940207
Energy: 0.9661156929905648
Energy: 0.918352053395528
Energy: 1.0258693726478871
Energy: 1.1613131430507104
Energy: 1.0258693723838481
Energy: 0.9315127905435173
Energy: 0.915285089927922
Energy: 1.1737995388175
Energy: 0.915285089927922
Energy: 1.0829730782446438
Energy: 1.0179152619461613
Energy: 1.389035090348785
Energy: 1.0179152619493632
Energy: 1.0669817071209196
Energy: 0.9816416599396798
Energy: 1.4237851596934088
Energy: 0.9816416599396798
Energy: 0.9750557872884391
Energy: 0.9222845441218301
Energy: 1.1015468990694857
Energy: 0.9222845441202293
Energy: 0.9125489423681108
Energy: 0.979916054319806
Energy: 1.1625063587332332
Energy: 0.9799161688115781
Energy: 0.9710417268983798
Energy: 0.9268466256476297
Energy: 1.4896021288569743
Energy: 0.9268466127965318
Energy: 1.0752426765760603
Energy: 0.9850412132936588
Energy: 0.9989526220344733
Energy: 0.985041212275961
Energy: 1.7902254055800306
Energy: 0.9244703824869839
Energy: 0.9447381012336269
Energy: 0.9244703815028683
Energy: 1.1862607369695168
Energy: 0.9169424833761411
Energy: 1.1602533248700062
Energy: 0.9169424833745403
Energy: 1.140789556854375
Energy: 0.9401094088211388
Energy: 0.9926765600138059
Energy: 0.9401094088227397
Energy: 1.1207810133690317
Energy: 0.9232628005268008
Energy: 1.0091917219854227
Energy: 0.923262814742846
Energy: 1.4103981941528072
Energy: 0.9476269077898886
Energy: 1.0488590834480116
Energy: 0.9476269077930902
Energy: 1.094321878069846
Energy: 0.9977517383427265
Energy: 0.9845349060462056
Energy: 0.9977517383427265
Energy: 1.4319686553845148
Energy: 0.9956253311269749
Energy: 0.9717982027474675
Energy: 0.9956253311637956
Energy: 1.4674272366878789
Energy: 1.0168674628477992
Energy: 1.0195621377313255
Energy: 1.0168674628477992
Energy: 1.1707521119882844
Energy: 0.9402289307696287
Energy: 1.0579008746339325
Energy: 0.9402289307664269

minimum gb energy = 0.8882408967627361 eV
minimum distance =  2.34070933832113 Angstroms
sigma value = 9


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

Energy: 0.8870661882350166
Energy: 0.9352699469636818
Energy: 2.9731429762046484
Energy: 0.9352700445113513
Energy: 0.9603464045965109
Energy: 1.0221718971763258
Energy: 1.0479769734707738
Energy: 1.0221718870938579
Energy: 1.1215343387327636
Energy: 1.0589177374814194
Energy: 1.157667535715863
Energy: 1.0416391864692363
Energy: 1.0131784793283696
Energy: 1.0031962247066821
Energy: 1.0197982501567535
Energy: 1.0031962247996524
Energy: 1.1206785842231717
Energy: 1.0202968743753094
Energy: 1.093397830596069
Energy: 1.0202968741924285
Energy: 1.3547331104765028
Energy: 1.0198426456934768
Energy: 0.9642392803632986
Energy: 1.0198426456959508
Energy: 1.0373248855893835
Energy: 1.1131050924455386
Energy: 1.0634853764321677
Energy: 1.1131050924621404
Energy: 1.1130982961878395
Energy: 1.0958498647395427
Energy: 1.4235012061184436
Energy: 1.0958498677937847
Energy: 1.1651146181522603
Energy: 1.0153866017994135
Energy: 0.993267454538847
Energy: 1.0153865800231647
Energy: 1.1251526267372698
Energy: 0.8926766975938729
Energy: 0.8750953665439787
Energy: 0.8923717083861907
Energy: 0.9778695550930656
Energy: 1.1297273533819987
Energy: 1.4619484257460846
Energy: 1.1297273604096605
Energy: 1.0821513661105282
Energy: 0.9054772422063827
Energy: 1.1525718015974877
Energy: 0.9097395987761574
Energy: 1.152911627580588
Energy: 1.0237298090423312
Energy: 1.0561717984761911
Energy: 1.0237298045447485
Energy: 1.143585383656148
Energy: 0.9540139988900586
Energy: 1.1432818849333641
Energy: 0.9540139174879404
Energy: 1.0647456530019528
Energy: 0.9732835013570185
Energy: 1.1529116274255722
Energy: 0.9182727369356142
Energy: 1.1527125177970612
Energy: 0.8738926595347081
Energy: 1.105922606729967
Energy: 0.8738864125142617
Energy: 1.5615509660779556
Energy: 0.9166422983195914
Energy: 1.0306280350464858
Energy: 1.0660765361787787
Energy: 0.8955686388680716
Energy: 0.8597500447954589
Energy: 1.1251427605783582
Energy: 0.830903742475286
Energy: 0.9322113938343528
Energy: 1.0258536082493772
Energy: 1.1651146181011092
Energy: 1.0258536079830751
Energy: 1.5066627673195878
Energy: 1.117331930313408
Energy: 1.1137524079415482
Energy: 1.1173319303137985
Energy: 1.080528179320458
Energy: 1.1208639315417785
Energy: 1.032388097298498
Energy: 1.120863931529387

minimum gb energy = 0.830903742475286 eV
minimum distance =  2.33261922871123 Angstroms
sigma value = 25


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

Energy: 1.1463280863753709
Energy: 1.3607121104719462
Energy: 2.6634540117703103
Energy: 1.3607121104879953
Energy: 1.4720841924250478
Energy: 1.2958354085418382
Energy: 1.3282964164486901
Energy: 1.2958354085375978
Energy: 1.254975038526182
Energy: 1.3027900558400103
Energy: 1.3350332212346283
Energy: 1.3027900558385879
Energy: 1.2518907284522196
Energy: 1.3067667926199538
Energy: 1.3265008169293802
Energy: 1.3067667926199538
Energy: 1.2584538243572363
Energy: 1.29824360371323
Energy: 1.5266869292643572
Energy: 1.2982436037108684
Energy: 1.6828216128828697
Energy: 1.2069260519298086
Energy: 1.2253721726669244
Energy: 1.2069260519376186
Energy: 1.3738700750771704
Energy: 1.3065845508214264
Energy: 1.2102440771609235
Energy: 1.3065845508197624
Energy: 1.2535937522790956
Energy: 1.3625629625147264
Energy: 1.543769484671364
Energy: 1.3625629626518978
Energy: 1.3893305592627796
Energy: 1.225258873052211
Energy: 1.2271656664089112
Energy: 1.2252588730514864
Energy: 1.2349436884429978
Energy: 1.2263332218437784
Energy: 1.221255032010155
Energy: 1.2263332218435368
Energy: 1.3090416367946605
Energy: 1.3078615280328758
Energy: 1.3971218359211377
Energy: 1.3078615280302726
Energy: 1.2918789093792935
Energy: 1.2121204748363696
Energy: 1.285487310884807
Energy: 1.2121204748281034
Energy: 1.3381606995080026
Energy: 1.3012379776089746
Energy: 1.2997665452109812
Energy: 1.301237977609914
Energy: 1.3998130789282326
Energy: 1.2996130961444623
Energy: 1.3251510055284292
Energy: 1.2996130961444623
Energy: 1.2859343151006075
Energy: 1.227034499774178
Energy: 1.4026681137806516
Energy: 1.227034499774876
Energy: 1.4842584425438765
Energy: 1.242034486921035
Energy: 1.2815281716734783
Energy: 1.242034486919371
Energy: 1.272290964025243
Energy: 1.2174114147091633
Energy: 1.2879869813665128
Energy: 1.2174114146716162

minimum gb energy = 1.1463280863753709 eV
minimum distance =  2.32410028803441 Angstroms
sigma value = 17


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

Energy: 1.4597401774299947
Energy: 1.333940446255569
Energy: 2.4567359071353954
Energy: 1.3339404462569064
Energy: 1.377487805819133
Energy: 1.4029175036412889
Energy: 1.352360533318423
Energy: 1.4029175036399515
Energy: 1.3084385478281895
Energy: 1.4272990915143262
Energy: 1.3421882091935429
Energy: 1.4272990915129886
Energy: 1.4008282482676082
Energy: 1.391465892417855
Energy: 1.3377465646644193
Energy: 1.3914658924165175
Energy: 1.2977247736968416
Energy: 1.4304846440056846
Energy: 1.4809141189293253
Energy: 1.4304846440056846
Energy: 1.6501264627111716
Energy: 1.3671347631973776
Energy: 1.342299903060697
Energy: 1.3671347632000528
Energy: 1.3802727913092923
Energy: 1.3916341748345809
Energy: 1.4813346374157739
Energy: 1.3916341748345809
Energy: 1.3850892770948973
Energy: 1.399194837673994
Energy: 1.5452871511827364
Energy: 1.3991948376753316
Energy: 1.3722747073531143
Energy: 1.4235168399211455
Energy: 1.3592854631578615
Energy: 1.4235168399211455
Energy: 1.5093189108587557
Energy: 1.452773095698281
Energy: 1.3436070849814312
Energy: 1.4527730957009564
Energy: 1.392561686291515
Energy: 1.3909124955485648
Energy: 1.4481125048261123
Energy: 1.3909124955485648
Energy: 1.3139139485986278
Energy: 1.4241762570732273
Energy: 1.3291039415474393
Energy: 1.4241762570718899
Energy: 1.5003575428142306
Energy: 1.4875229765033
Energy: 1.3278664193609224
Energy: 1.4875229765046378
Energy: 1.3910397264559178
Energy: 1.3915936495516703
Energy: 1.3679635970289972
Energy: 1.3915936495516703
Energy: 1.3189224312960246
Energy: 1.405662554522767
Energy: 1.5170735179151782
Energy: 1.4056625545214296
Energy: 1.5074534478055182
Energy: 1.42411584146568
Energy: 1.3652225558994868
Energy: 1.4241158414683552
Energy: 1.362065300519267
Energy: 1.4923482971354038
Energy: 1.3402916847857504
Energy: 1.4923482971354038
Energy: 1.3668766977519486
Energy: 1.4882051153364024
Energy: 1.3701284391480701
Energy: 1.4882051153350648
Energy: 1.36470911957432
Energy: 1.36905498807695
Energy: 1.4868260786255907
Energy: 1.36905498807695
Energy: 1.569362613062822
Energy: 1.3704558669632398
Energy: 1.4862907005106791
Energy: 1.3704558669605647
Energy: 1.3999977096981797
Energy: 1.4562388125000403
Energy: 1.4521574470665704
Energy: 1.4562388125013779
Energy: 1.3899484839292051
Energy: 1.422827731116867
Energy: 1.31970974147624
Energy: 1.422827731116867
Energy: 1.4180353167382707
Energy: 1.4355806635858341
Energy: 1.4576938031770776
Energy: 1.4355806635871717
Energy: 1.4379552052828946
Energy: 1.3576779083782138
Energy: 1.34766912411678
Energy: 1.3576779083782138
Energy: 1.438960563940399
Energy: 1.3575191624205503
Energy: 1.3453670525802122
Energy: 1.3575191624205503
Energy: 1.3800220864693296
Energy: 1.4359965625620477
Energy: 1.3313727448217494
Energy: 1.4359965625620477
Energy: 1.2966970444055188
Energy: 1.4233846881315066
Energy: 1.4354739410072987
Energy: 1.423384688132844
Energy: 1.4074784726055707
Energy: 1.3994787136825657
Energy: 1.4788477803222528
Energy: 1.399478713683903
Energy: 1.2935951970622601
Energy: 1.454462837688008
Energy: 1.5078432057124065
Energy: 1.454462837688008
Energy: 1.36331344085502
Energy: 1.368261263037663
Energy: 1.3460665693484493
Energy: 1.3682612630390008

minimum gb energy = 1.2935951970622601 eV
minimum distance =  2.32420364797797 Angstroms
sigma value = 53


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

Energy: 1.5892388418648862
Energy: 1.5876345136557515
Energy: 2.5864276921945515
Energy: 1.5876345136563461
Energy: 1.28458716238317
Energy: 1.529819276403638
Energy: 1.2697761229764497
Energy: 1.529819276405178
Energy: 1.2590089380564289
Energy: 1.2118843654653457
Energy: 1.2856881044033694
Energy: 1.1999800016761333
Energy: 1.2634927458475675
Energy: 1.2566942493507418
Energy: 1.2796916440546668
Energy: 1.2566942492830302
Energy: 1.2556285646427032
Energy: 1.529871825363192
Energy: 1.2842113567758144
Energy: 1.5298718253650117
Energy: 2.5864276921154326
Energy: 1.5876345136560313
Energy: 1.5892388418657957
Energy: 1.5876345136554364
Energy: 1.2697761230179865
Energy: 1.529819276404233
Energy: 1.2845871623813154
Energy: 1.5298192764048628
Energy: 1.285688104406449
Energy: 1.180605644733304
Energy: 1.2589755609292483
Energy: 1.1886758219995326
Energy: 1.2796916279606283
Energy: 1.2566942492928983
Energy: 1.2634927457900391
Energy: 1.2566942493181286
Energy: 1.2842113567764093
Energy: 1.529871825363192
Energy: 1.2556285646811955
Energy: 1.5298718253650117
Energy: 1.5892388418654808
Energy: 1.5876345136563461
Energy: 2.5864276920332685
Energy: 1.5876345136554364
Energy: 1.2845871623779208
Energy: 1.529819276404233
Energy: 1.269776122959198
Energy: 1.5298192764045482
Energy: 1.258882329568764
Energy: 1.1694633250720736
Energy: 1.2856881044076738
Energy: 1.1713436562340795

minimum gb energy = 1.1694633250720736 eV
minimum distance =  2.38075984220329 Angstroms
sigma value = 9


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

Energy: 1.6382692276433664
Energy: 1.478928428734062
Energy: 2.264960574555593
Energy: 1.478928428734062
Energy: 1.5130561113090109
Energy: 1.4300687040753781
Energy: 1.4225414927523772
Energy: 1.4300687040776578
Energy: 1.4395759886894677
Energy: 1.4673470244958216
Energy: 1.48305706123974
Energy: 1.467347024494682
Energy: 1.4420191352251055
Energy: 1.506730655517006
Energy: 1.4383630269487453
Energy: 1.5067306555147266
Energy: 1.4249700134932055
Energy: 1.4489479650987869
Energy: 1.5514410977146351
Energy: 1.4489479650987869
Energy: 1.6936324891521009
Energy: 1.6063571062806752
Energy: 1.6623099272781843
Energy: 1.6063571062795354
Energy: 1.413284280804304
Energy: 1.4816331768258109
Energy: 1.5504260075267584
Energy: 1.4816331768246713
Energy: 1.4569467788565742
Energy: 1.5148018220335175
Energy: 1.431628620024867
Energy: 1.5148018220335175
Energy: 1.4183842248710168
Energy: 1.4672475708098238
Energy: 1.4824469224951298
Energy: 1.4672475708075443
Energy: 1.44239094944937
Energy: 1.4674996898078754
Energy: 1.474987502150178
Energy: 1.4674996898078754
Energy: 1.4830614671444458
Energy: 1.493384528217301
Energy: 1.5731240626921144
Energy: 1.4933845282150215
Energy: 1.609598157417223
Energy: 1.5146689940708857
Energy: 1.3963085261136803
Energy: 1.5146689940674667
Energy: 1.488127580979399
Energy: 1.493752506816094
Energy: 1.5025887208606772
Energy: 1.4937525068138149
Energy: 1.4338678867536165
Energy: 1.5060885783578548
Energy: 1.4126371557552357
Energy: 1.5060885783567153
Energy: 1.4494586069735458
Energy: 1.5153846968913944
Energy: 1.4193723355629466
Energy: 1.5153846968936737
Energy: 1.6672979040437719
Energy: 1.4939786059225366
Energy: 1.5030255622830013
Energy: 1.4939786059236766
Energy: 1.5142932570051186
Energy: 1.4953597444056468
Energy: 1.6670832052837496
Energy: 1.4953597444067865
Energy: 1.4838122913026928
Energy: 1.496901808175957
Energy: 1.47241471337315
Energy: 1.4969018081793763
Energy: 1.6141158332028291
Energy: 1.4856968151409198
Energy: 1.4362774150826585
Energy: 1.4856968151409198
Energy: 1.4435054752956764
Energy: 1.4946404960511896
Energy: 1.4623333269868792
Energy: 1.494640496054609
Energy: 1.402023271317195
Energy: 1.5151370164552784
Energy: 1.645423231347438
Energy: 1.5151370164586977
Energy: 1.4425108268137412
Energy: 1.449023914063254
Energy: 1.4808262981517846
Energy: 1.449023914063254
Energy: 1.4618430686972326
Energy: 1.484224348623285
Energy: 1.6445447189009192
Energy: 1.4842243486267042
Energy: 1.4410972802157358
Energy: 1.4250119995875936
Energy: 1.5059520817649017
Energy: 1.425011999586454
Energy: 1.427607062287735
Energy: 1.5150529988397579
Energy: 1.373553091742837
Energy: 1.5150529988386183
Energy: 1.5407685845926762
Energy: 1.5620746448166531
Energy: 1.37504009665021
Energy: 1.5620746448166531
Energy: 1.5917799025971358
Energy: 1.4357670639983375
Energy: 1.512611028811677
Energy: 1.435767063996058
Energy: 1.6129801449409185
Energy: 1.4360790613661174
Energy: 1.5105183085544283
Energy: 1.4360790613729557
Energy: 1.5387864301720604
Energy: 1.5628606455862073
Energy: 1.3872895135989847
Energy: 1.5628606455873468
Energy: 1.426259982387909
Energy: 1.5136283537521609
Energy: 1.3744207220602118
Energy: 1.5136283537533008
Energy: 1.4516993082747291
Energy: 1.4269585911277847
Energy: 1.5573343488523619
Energy: 1.4269585911255054
Energy: 1.4631237861347475
Energy: 1.4494965342614392
Energy: 1.4529309858188053
Energy: 1.449496534262579
Energy: 1.7155792408868613
Energy: 1.4493163311087613
Energy: 1.4780288050555253
Energy: 1.4493163311087613
Energy: 1.4041336963033348
Energy: 1.5152045930393858
Energy: 1.642672504342951
Energy: 1.5152045930393858
Energy: 1.4994599419233046
Energy: 1.4948108500724133
Energy: 1.4604851429944474
Energy: 1.494810850068994

minimum gb energy = 1.373553091742837 eV
minimum distance =  2.31774203317073 Angstroms
sigma value = 73


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

Energy: 1.6748206150768044
Energy: 1.5288015255471612
Energy: 2.3114074920369196
Energy: 1.5288015255464422
Energy: 1.4995405971463707
Energy: 1.420695639207314
Energy: 1.4439777118743427
Energy: 1.420695639213458
Energy: 1.3887085720320778
Energy: 1.5270895939083826
Energy: 1.376080812003994
Energy: 1.5270895939071292
Energy: 1.4579101429716226
Energy: 1.4156122246146388
Energy: 1.47126978901086
Energy: 1.415612224614084
Energy: 1.5168900085489392
Energy: 1.412626782521803
Energy: 1.3994075942695061
Energy: 1.4126267825165633
Energy: 1.8204204553299488
Energy: 1.4201752587732448
Energy: 1.3841423279552552
Energy: 1.420175258773779
Energy: 1.393574890822621
Energy: 1.4503746860281128
Energy: 1.294457754440164
Energy: 1.4503746860306406
Energy: 1.4261633336628838
Energy: 1.4146343506450632
Energy: 1.4633234741180803
Energy: 1.414634350644159
Energy: 1.4148188443018663
Energy: 1.5291750029565083
Energy: 1.422642887965989
Energy: 1.529175002954885
Energy: 1.3856156490323506
Energy: 1.5285310292932686
Energy: 1.432707556757593
Energy: 1.528531029294173
Energy: 1.416476158497072
Energy: 1.4157172647648728
Energy: 1.7768821764721885
Energy: 1.415717264765407
Energy: 1.4226766415263181
Energy: 1.4166457777351293
Energy: 1.5585625071370097
Energy: 1.4166457777344101
Energy: 1.508855770755067
Energy: 1.4172354449609712
Energy: 1.3831402950272793
Energy: 1.417235444961156
Energy: 1.376506307973664
Energy: 1.4536766066780327
Energy: 1.5800904690251751
Energy: 1.453676606674252
Energy: 1.4488879807833577
Energy: 1.4163255836245014
Energy: 1.5173132485903749
Energy: 1.4163255836246658
Energy: 1.5069486163899115
Energy: 1.5300169941584538
Energy: 1.3223602894565238
Energy: 1.5300169941586386
Energy: 1.522446646003433
Energy: 1.387952654782204
Energy: 1.574977112172369
Energy: 1.387952654781485
Energy: 1.5377249239019009
Energy: 1.3825884207092665
Energy: 1.556575393899802
Energy: 1.3825884207005952
Energy: 1.5639106973682269
Energy: 1.5308498513197277
Energy: 1.443349629754664
Energy: 1.5308498513191937
Energy: 1.4523349019642107
Energy: 1.4171146765130482
Energy: 1.3698722849456504
Energy: 1.4171146765128633
Energy: 1.3852291869939406
Energy: 1.3830697018350582
Energy: 1.418787167776192
Energy: 1.3830697018355926
Energy: 1.5115537828917147
Energy: 1.4174433101907378
Energy: 1.3862260973136622
Energy: 1.4174433101907378

minimum gb energy = 1.294457754440164 eV
minimum distance =  2.31660812381697 Angstroms
sigma value = 7


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

Energy: 1.769621846990645
Energy: 1.3622215031024159
Energy: 2.2655700213529
Energy: 1.3622215030998588
Energy: 1.556576222788446
Energy: 1.3810841356599557
Energy: 1.4575654946265835
Energy: 1.3810841356612344
Energy: 1.4661626097715785
Energy: 1.444821540091403
Energy: 1.452781982780833
Energy: 1.444821540091403
Energy: 1.4378236048244988
Energy: 1.3329723757173395
Energy: 1.4400546996365329
Energy: 1.332972375716061
Energy: 1.5362436672329696
Energy: 1.444592343707222
Energy: 1.329440903983138
Energy: 1.444592343705943
Energy: 1.5314914389170244
Energy: 1.3331606753298193
Energy: 1.3360413255609516
Energy: 1.3331606753298193
Energy: 1.3745691171826653
Energy: 1.4353313580678884
Energy: 1.6810660232094503
Energy: 1.4353313580666096
Energy: 1.337173035306775
Energy: 1.3329630442701137
Energy: 1.5276260331112794
Energy: 1.332963044268835
Energy: 1.6033189350869101
Energy: 1.4446583864227893
Energy: 1.4393673502592566
Energy: 1.4446583864215108
Energy: 1.4370014481249682
Energy: 1.331958946373054
Energy: 1.4380081343423692
Energy: 1.331958946373054
Energy: 1.4394769688092082
Energy: 1.4448975091717695
Energy: 1.5397624135370938
Energy: 1.444897509170491
Energy: 1.6469666989417002
Energy: 1.3320963890796318
Energy: 1.664759904617291
Energy: 1.3320963890796318
Energy: 1.6152903118175954
Energy: 1.3317586270817243
Energy: 1.731808819737455
Energy: 1.3317586270804458
Energy: 1.4358887192558205
Energy: 1.445748394589438
Energy: 1.5015996890151317
Energy: 1.4457483945907166
Energy: 1.4398266248239933
Energy: 1.3320621281196465
Energy: 1.4322887381293614
Energy: 1.3320621281209253
Energy: 1.6078358774859243
Energy: 1.5510866257363642
Energy: 1.465460642480981
Energy: 1.551086625737643
Energy: 1.330740211021755
Energy: 1.3326570195136016
Energy: 1.530340861639702
Energy: 1.3326570195123228
Energy: 1.3293397729254055
Energy: 1.4444631718674599
Energy: 1.6533371810474249
Energy: 1.4444631718674599
Energy: 1.5397414161921175
Energy: 1.332819486014196
Energy: 1.330800615115869
Energy: 1.3328194860129172
Energy: 1.5332680532939695
Energy: 1.4444855862771493
Energy: 1.3303134789723896
Energy: 1.4444855862758703
Energy: 1.4303153898260128
Energy: 1.462111038555728
Energy: 1.436877491079158
Energy: 1.462111038555728
Energy: 1.4332197943854303
Energy: 1.4447826826106496
Energy: 1.4424934628742287
Energy: 1.4447826826106496
Energy: 1.5679656206224195
Energy: 1.4656673966386653
Energy: 1.4597358305766672
Energy: 1.465667396639944
Energy: 1.5437174857858613
Energy: 1.333074016682505
Energy: 1.630951413864755
Energy: 1.3330740166812263
Energy: 1.6663879942917381
Energy: 1.3319123852841037
Energy: 1.4548381321562274
Energy: 1.3319123852841037
Energy: 1.5416826720529766
Energy: 1.4445674316683867
Energy: 1.4426622739316
Energy: 1.4445674316683867
Energy: 1.4710393699083606
Energy: 1.3322512058418108
Energy: 1.4350498023388871
Energy: 1.3322512058418108
Energy: 1.5342202853837998
Energy: 1.444879880356734
Energy: 1.5285860962962556
Energy: 1.444879880356734
Energy: 1.5251494124830918
Energy: 1.3327281258531989
Energy: 1.3340957765722208
Energy: 1.3327281258531989
Energy: 1.6825616216307533
Energy: 1.440878340878058
Energy: 1.6824780656295173
Energy: 1.4408783408767798
Energy: 1.3340898567581074
Energy: 1.3326458989286258
Energy: 1.5251494124830918
Energy: 1.3326458989273473

minimum gb energy = 1.3293397729254055 eV
minimum distance =  2.32404344646467 Angstroms
sigma value = 29


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

Energy: 0.9901775495448235
Energy: 1.25492650964865
Energy: 2.2539726120457613
Energy: 1.2549265096490705
Energy: 1.6994419916110228
Energy: 1.1956474384237494
Energy: 1.2364740133056225
Energy: 1.1956474384233287
Energy: 1.499836740736109
Energy: 1.2257742897561519
Energy: 1.2112828761924592
Energy: 1.2257742897561519
Energy: 1.4689297579921554
Energy: 1.2570555676655837
Energy: 1.2101147711426425
Energy: 1.2570555676660042
Energy: 1.5008122533555135
Energy: 1.2131273212142437
Energy: 1.2102950637219394
Energy: 1.2131273212142437
Energy: 1.4973262761828445
Energy: 1.2223837139562441
Energy: 1.212701634827874
Energy: 1.2223837139540665
Energy: 1.8559866311903894
Energy: 1.2249951060238677
Energy: 1.7567370029094858
Energy: 1.2249951060243132
Energy: 0.9965182752928429
Energy: 1.2224958779964794
Energy: 1.7260718276123732
Energy: 1.2224958779969248
Energy: 1.6913317702308135
Energy: 1.2382971840452408
Energy: 1.245329225698909
Energy: 1.2382971840456862

minimum gb energy = 0.9901775495448235 eV
minimum distance =  2.32783676718661 Angstroms
sigma value = 5


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

Energy: 1.36907421678564
Energy: 1.1187534179054974
Energy: 2.0349069011386836
Energy: 1.1187534179054974
Energy: 1.5754691547085118
Energy: 1.0755758655864451
Energy: 1.3850955212399896
Energy: 1.0755758655864451
Energy: 1.1775703954241095
Energy: 1.310735656393695
Energy: 1.3233808932377173
Energy: 1.3107356563949026
Energy: 1.1781334793551077
Energy: 1.2662732078799588
Energy: 1.5196631119128114
Energy: 1.2662732078811665
Energy: 1.0936227962701701
Energy: 1.3120100128148062
Energy: 1.2117337469325637
Energy: 1.3120100128135983
Energy: 1.453092476139408
Energy: 1.3638613370493056
Energy: 1.2323475772853503
Energy: 1.3638613370504582
Energy: 1.4481702874374052
Energy: 1.2495304361269914
Energy: 1.3350043947032928
Energy: 1.2495304361281991
Energy: 1.4503916055525417
Energy: 1.2494084966913435
Energy: 1.332749610174284
Energy: 1.2494084966925512
Energy: 1.700016879560867
Energy: 1.1667280734303953
Energy: 1.40214757810892
Energy: 1.1667280734279797
Energy: 1.5275795697961783
Energy: 1.1672349338478523
Energy: 1.4043070331149978
Energy: 1.1672349338490602
Energy: 1.368442550464534
Energy: 1.3086001060710712
Energy: 1.3136393122457064
Energy: 1.3086001060734869
Energy: 1.368615094869955
Energy: 1.3109130496824286
Energy: 1.1681202048787882
Energy: 1.3109130496836365
Energy: 1.5581409487162998
Energy: 1.3234814886882047
Energy: 1.1283565351477969
Energy: 1.3234814886906203
Energy: 1.177253692096446
Energy: 1.3126353204015027
Energy: 1.1278964227786124
Energy: 1.3126353204039185
Energy: 1.2283560877592394
Energy: 1.1328769335819417
Energy: 1.5848391010950214
Energy: 1.132876933579526
Energy: 1.5173727560679107
Energy: 1.1722179585372297
Energy: 1.4086044203280403
Energy: 1.172217958536022
Energy: 1.3842491543376871
Energy: 1.1686056169957122
Energy: 1.4441652640757896
Energy: 1.16860561699692
Energy: 1.2592044435015803
Energy: 1.2577244005664916
Energy: 1.3313106076298706
Energy: 1.2577244005676995
Energy: 1.4590515584677912
Energy: 1.2201500359627275
Energy: 1.1322757618697252
Energy: 1.2201500359772217
Energy: 1.2565498117681952
Energy: 1.3146505777959512
Energy: 1.2348148497713531
Energy: 1.3146505777935356
Energy: 1.2601857115260464
Energy: 1.2695012976009616
Energy: 1.4026600801087288
Energy: 1.2695012976009616
Energy: 1.3299532566012995
Energy: 1.3089547187093002
Energy: 1.316030635613395
Energy: 1.3089547187068846
Energy: 1.1738976213519705
Energy: 1.3086814947501038
Energy: 1.3099480231821579
Energy: 1.3086814947501038
Energy: 1.5005314611870895
Energy: 1.1073391413213582
Energy: 1.7252647393291185
Energy: 1.1073391413213582
Energy: 1.5071538500480195
Energy: 1.1051844654866647
Energy: 1.7340148340325974
Energy: 1.1051844654866647
Energy: 1.4813859749378158
Energy: 1.308356849587914
Energy: 1.313932486419755
Energy: 1.308356849587914
Energy: 1.1797032785896535
Energy: 1.3083454118327282
Energy: 1.3112207584176836
Energy: 1.3083454118315205
Energy: 1.2579270927691188
Energy: 1.2619605149639543
Energy: 1.3189087568525708
Energy: 1.2619605149627466
Energy: 1.260445292403542
Energy: 1.3097849167959208
Energy: 1.2363104452943305
Energy: 1.3097849167959208
Energy: 1.4604937991863671
Energy: 1.3860333753952605
Energy: 1.1406070428922395
Energy: 1.3860333753940528
Energy: 1.4548643139472275
Energy: 1.2542802183903405
Energy: 1.3333525671384772
Energy: 1.254280218393964
Energy: 1.314625554878565
Energy: 1.1270501595731608
Energy: 1.6791930796048076
Energy: 1.1270501595743685
Energy: 1.7025263705376787
Energy: 1.1719801397576342
Energy: 1.403702313138978
Energy: 1.1719801397588419

minimum gb energy = 1.0755758655864451 eV
minimum distance =  2.3040781812106 Angstroms
sigma value = 1


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

Energy: 1.2519669679621122
Energy: 1.1386417758059841
Energy: 2.0574703503629226
Energy: 1.1386417758059841
Energy: 1.0413244521828324
Energy: 1.027271438954162
Energy: 1.2639986834072632
Energy: 1.027271438944142
Energy: 1.283590818442309
Energy: 1.3182131800495436
Energy: 1.4383168291199069
Energy: 1.3182131800478734
Energy: 1.2440484865559165
Energy: 1.3292229025902527
Energy: 1.4189649516878564
Energy: 1.3292229025902527
Energy: 1.0220488571025652
Energy: 1.130685991110422
Energy: 1.022766677745607
Energy: 1.130685991112092
Energy: 1.0247563362036307
Energy: 1.0274547478474043
Energy: 1.025951466413423
Energy: 1.0274547478474043
Energy: 1.4248462152825874
Energy: 1.3222691281573262
Energy: 1.2823385813900865
Energy: 1.3222691281573262
Energy: 1.4262545693366961
Energy: 1.3255581160002758
Energy: 1.2822834515128378
Energy: 1.3255581160002758
Energy: 1.6396630250102848
Energy: 1.1277763450754497
Energy: 1.229389305214135
Energy: 1.1277763450771197
Energy: 1.6396630250069448
Energy: 1.1265375247958638
Energy: 1.2266720417284789
Energy: 1.1265375247958638
Energy: 1.4247550374850884
Energy: 1.32544575821521
Energy: 1.2822834515111678
Energy: 1.32544575821354
Energy: 1.4246197745232094
Energy: 1.3223712773942065
Energy: 1.2823385813950965
Energy: 1.3223712773958767
Energy: 1.0247907644872394
Energy: 1.0248614517913344
Energy: 1.0261611851665045
Energy: 1.0248614517896644
Energy: 1.0223049111897138
Energy: 1.12618977028776
Energy: 1.0227913366098278
Energy: 1.12618977028776
Energy: 1.2448056465261361
Energy: 1.3292665312334295
Energy: 1.4183551376132033
Energy: 1.3292665312334295
Energy: 1.283590818442309
Energy: 1.3183676980872892
Energy: 1.4385456026539216
Energy: 1.3183676980872892
Energy: 1.0428193216351915
Energy: 1.0209234128130267
Energy: 1.2664054944670518
Energy: 1.0209234128330673
Energy: 1.2519123057952486
Energy: 1.1386417758059841
Energy: 2.0574703503662626
Energy: 1.1386417758059841
Energy: 1.04132445216951
Energy: 1.0272714389207616
Energy: 1.2639986834089334
Energy: 1.0272714389307815
Energy: 1.283590818442309
Energy: 1.3182131800478734
Energy: 1.4383168291199069
Energy: 1.3182131800478734
Energy: 1.2440484865609265
Energy: 1.3292229025902527
Energy: 1.4189649516878564
Energy: 1.3292229025902527
Energy: 1.0220488571059054
Energy: 1.130685991108752
Energy: 1.022766677745607
Energy: 1.130685991110422
Energy: 1.0247563362036307
Energy: 1.0274547478474043
Energy: 1.0259514664117533
Energy: 1.0274547478457343
Energy: 1.4248462152825874
Energy: 1.3222691281573262
Energy: 1.2823385813900865
Energy: 1.3222691281573262

minimum gb energy = 1.0209234128130267 eV
minimum distance =  2.31993377272624 Angstroms
sigma value = 17


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

Energy: 1.4033724494587412
Energy: 1.099651335409759
Energy: 2.0054211699823874
Energy: 1.0996513354118234
Energy: 1.2609571259147925
Energy: 1.1270374248312327
Energy: 1.3327030701731268
Energy: 1.1270374248332973
Energy: 1.0938770740881056
Energy: 1.232253335997935
Energy: 1.264814857572426
Energy: 1.232253335996903
Energy: 1.1871063051438209
Energy: 1.1712822515527186
Energy: 1.5249674633371089
Energy: 1.171282251550654
Energy: 1.2625172014439887
Energy: 1.2300378921804185
Energy: 1.301716944529684
Energy: 1.2300378921783541
Energy: 1.3651399445035028
Energy: 1.2715197588634275
Energy: 1.2924928802034208
Energy: 1.2715197588603309
Energy: 1.2936812719291366
Energy: 1.2839525040461661
Energy: 1.0932228777376987
Energy: 1.283952504050295
Energy: 1.292128888623127
Energy: 1.2816348052119142
Energy: 1.1936338338827843
Energy: 1.2816348052129465
Energy: 1.477722835590612
Energy: 1.13115676311009
Energy: 1.4284835875826678
Energy: 1.1311567631090578
Energy: 1.490800235471543
Energy: 1.1309015062265027
Energy: 1.4266533426362489
Energy: 1.130901506224438
Energy: 1.339573985010907
Energy: 1.1743910217167821
Energy: 1.1945180420363533
Energy: 1.1743910217147178
Energy: 1.3336894486362982
Energy: 1.1746367385318992
Energy: 1.2420904931419752
Energy: 1.1746367385329317
Energy: 1.3050180685650858
Energy: 1.283948462919492
Energy: 1.3439962402413204
Energy: 1.283948462923621
Energy: 1.1933202847318263
Energy: 1.2305264180514577
Energy: 1.3462049533386233
Energy: 1.230526418053522
Energy: 1.1898450798832843
Energy: 1.337057945705917
Energy: 1.348288218900434
Energy: 1.3370579457079816
Energy: 1.1835872302103323
Energy: 1.2842063776578418
Energy: 1.2003833842312908
Energy: 1.2842063776630028
Energy: 1.4741467651251683
Energy: 1.1250908807113156
Energy: 1.073324015819085
Energy: 1.1250908807123476
Energy: 1.347534336667769
Energy: 1.1937094678873448
Energy: 1.285979709353597
Energy: 1.1937094678842486
Energy: 1.2893070967478846
Energy: 1.0411310438737278
Energy: 1.2432863312801086
Energy: 1.0411310438757924
Energy: 1.4855345709349763
Energy: 1.1387610003612674
Energy: 1.3116211758527136
Energy: 1.1387610003612674
Energy: 1.0227407150086558
Energy: 1.2160022514701205
Energy: 1.4796532287566528
Energy: 1.2160022514690885
Energy: 1.2957780374281465
Energy: 1.2299623920292955
Energy: 1.091444639039825
Energy: 1.22996239203136
Energy: 1.4269181994003781
Energy: 1.2524315968205555
Energy: 1.281370303248459
Energy: 1.2524315968215878
Energy: 1.2515481514274154
Energy: 1.284580351834482
Energy: 1.141823098643754
Energy: 1.2845803518375787
Energy: 1.2484795055428335
Energy: 1.3359013930220038
Energy: 1.4011078169020839
Energy: 1.335901393017875
Energy: 1.1349978474516824
Energy: 1.2302203307135873
Energy: 1.2555663056261728
Energy: 1.2302203307146196
Energy: 1.3217224209834952
Energy: 1.227916998147232
Energy: 1.370613730930135
Energy: 1.227916998147232
Energy: 1.3899839884377119
Energy: 1.0466501113342825
Energy: 1.6833130182368863
Energy: 1.0466501113342825
Energy: 1.3845569997968323
Energy: 1.0471442816741852
Energy: 1.3985839078092845
Energy: 1.0471442816752172
Energy: 1.089301278538628
Energy: 1.2296124657293535
Energy: 1.2592393179807213
Energy: 1.2296124657314176
Energy: 1.1345400554241158
Energy: 1.2301045439289613
Energy: 1.3716938101154923
Energy: 1.230104543937219
Energy: 1.2483362692335203
Energy: 1.3378191468848983
Energy: 1.263371180402624
Energy: 1.337819146882834
Energy: 1.2498710288609607
Energy: 1.284043141487497
Energy: 1.1404083830410419
Energy: 1.2840431414885294
Energy: 1.4259167324355482
Energy: 1.282886508757926
Energy: 1.0899668555455322
Energy: 1.2828865087558614
Energy: 1.2964239411426255
Energy: 1.2300395682365948
Energy: 1.1983667692054067
Energy: 1.2300395682407237
Energy: 1.1800771582405165
Energy: 1.083292063956929
Energy: 1.42508343420388
Energy: 1.0832920639579613
Energy: 1.6666584313166273
Energy: 1.1349866429607838
Energy: 1.3060319244570016
Energy: 1.1349866429587194
Energy: 1.2900711222944363
Energy: 1.0400036836314521
Energy: 1.2941349033394176
Energy: 1.040003683635581

minimum gb energy = 1.0227407150086558 eV
minimum distance =  2.31998846409777 Angstroms
sigma value = 89


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

Energy: 1.2571246257711073
Energy: 1.044990126808422
Energy: 1.946664240437602
Energy: 1.0449901268103248
Energy: 1.059036221628533
Energy: 1.113693387384828
Energy: 1.2075670293742902
Energy: 1.113693387934472
Energy: 1.1729566191587804
Energy: 1.0417974671894425
Energy: 1.0915302870678762
Energy: 1.0417974671897188
Energy: 1.2246219184344824
Energy: 1.1970835392613364
Energy: 1.4036943466606768
Energy: 1.1970835392661854
Energy: 1.20575218430505
Energy: 1.2227576793167767
Energy: 1.0276577841719057
Energy: 1.2227576793175747
Energy: 1.2075631622299354
Energy: 1.4008763812693132
Energy: 1.035050273527121
Energy: 1.400876381269835
Energy: 1.2123604041457852
Energy: 1.040598282306365
Energy: 1.0362789489253401
Energy: 1.0405982823074396
Energy: 1.2106058272938582
Energy: 1.2041100849852535
Energy: 1.4177900311461848
Energy: 1.2041100849868802
Energy: 1.1720037942014392
Energy: 1.2129074191664884
Energy: 1.067918677366017
Energy: 1.2129074191670408
Energy: 1.208277625463689
Energy: 1.2044046483734636
Energy: 1.0797714100763767
Energy: 1.2044046483694124
Energy: 1.2188459926420887
Energy: 1.021340680600178
Energy: 1.4187944422737995
Energy: 1.021340680167681
Energy: 1.201250893241516
Energy: 1.013982183089054
Energy: 1.418019636865773
Energy: 1.013981766425818
Energy: 1.1724919651062697
Energy: 1.2094095364626352
Energy: 1.063239880086436
Energy: 1.209409536462359
Energy: 1.1731721099678598
Energy: 1.2137468183539148
Energy: 1.0799427415852243
Energy: 1.213746818354989
Energy: 1.2008056374108127
Energy: 1.1851708393086466
Energy: 1.4183238214451752
Energy: 1.1851708393070202

minimum gb energy = 1.013981766425818 eV
minimum distance =  2.3144090695583 Angstroms
sigma value = 13


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

Energy: 1.1022343152646707
Energy: 1.056054606829704
Energy: 1.8391627499449448
Energy: 1.056054606830836
Energy: 1.0143913502578532
Energy: 1.062186702409831
Energy: 1.0962836164362622
Energy: 1.062186702410963
Energy: 1.0342835816772113
Energy: 1.0705557734586977
Energy: 1.1801277499111196
Energy: 1.0705557734586977
Energy: 1.2103719731947358
Energy: 1.1085664371271462
Energy: 1.1551920334588803
Energy: 1.1085664371271462
Energy: 1.0508229533960547
Energy: 1.1789844779165808
Energy: 0.9775617876022482
Energy: 1.1789844779165808
Energy: 1.27933332548038
Energy: 1.1717043132314082
Energy: 1.2063032700737328
Energy: 1.1717043132325402
Energy: 1.145074869619069
Energy: 1.0700135053881596
Energy: 1.1326699971450067
Energy: 1.0700135053881596
Energy: 1.1440069457234867
Energy: 1.1514436696824342
Energy: 1.1392233669458056
Energy: 1.1514436696835662
Energy: 0.9812179614545369
Energy: 1.1788338443709636
Energy: 1.04299672736326
Energy: 1.1788338443720956
Energy: 1.110116560101191
Energy: 1.172697160825225
Energy: 1.2765810539337143
Energy: 1.172697160824093
Energy: 1.1664092550035905
Energy: 1.0685186171282826
Energy: 1.037308383917556
Energy: 1.0685186171282826
Energy: 1.1603304917057928
Energy: 1.0648716621579828
Energy: 1.1391632235216291
Energy: 1.0648716621568508
Energy: 1.2160658181707664
Energy: 1.0531114312701606
Energy: 1.0864491839227333
Energy: 1.0531114312712928
Energy: 1.1203504750707856
Energy: 1.0538434614825052
Energy: 0.8858874208750218
Energy: 1.0538434614836372
Energy: 1.1664739285384709
Energy: 1.0661733021058868
Energy: 1.0356513130408629
Energy: 1.0661733021047548
Energy: 1.1607188027198345
Energy: 1.0651936569831684
Energy: 1.0352015150400613
Energy: 1.0651936569820364
Energy: 1.215079252051995
Energy: 1.1773098865210336
Energy: 1.0409163158481616
Energy: 1.1773098865221656
Energy: 0.9831538998021371
Energy: 1.1764010700238192
Energy: 1.2786223056807884
Energy: 1.1764010700249514
Energy: 1.1426221469727746
Energy: 1.0655126301518876
Energy: 1.14521316489385
Energy: 1.0655126301530196
Energy: 1.1452197073240449
Energy: 1.0653364372771112
Energy: 1.1431725841337343
Energy: 1.0653364372771112
Energy: 1.2784273134939783
Energy: 1.176404064633943
Energy: 0.9835048276676454
Energy: 1.176404064633943
Energy: 1.0408262513517534
Energy: 1.1772467151130446
Energy: 1.2150792520384113
Energy: 1.1772467151130446
Energy: 1.0352015150253455
Energy: 1.0651317538363327
Energy: 1.1607846410036724
Energy: 1.0651317538363327
Energy: 1.035651313035203
Energy: 1.0667779869306575
Energy: 1.1664763629221675
Energy: 1.0667779869306575
Energy: 0.8862606266778091
Energy: 1.0538316162471781
Energy: 1.12032715054284
Energy: 1.0538316162347263
Energy: 1.0865070004288873
Energy: 1.0530605723336715
Energy: 1.2160658181741626
Energy: 1.0530605723336715
Energy: 1.1395104233027753
Energy: 1.0648689257987496
Energy: 1.16048146886402
Energy: 1.0648689257987496
Energy: 1.037308383920952
Energy: 1.068534242606935
Energy: 1.1662635820049403
Energy: 1.068534242608067
Energy: 1.2766358591320945
Energy: 1.1727380897775213
Energy: 1.1080856111730808
Energy: 1.1727380897752575
Energy: 1.04299972461425
Energy: 1.1788015686486797
Energy: 0.9812995858994724
Energy: 1.1788015686486797
Energy: 1.1392186550330319
Energy: 1.151390561743257
Energy: 1.1441088916553743
Energy: 1.151390561740993
Energy: 1.132691173730381
Energy: 1.069994628617916
Energy: 1.1455740120236115
Energy: 1.069994628617916
Energy: 1.2058648757052222
Energy: 1.1717016942667742
Energy: 1.2792795899529246
Energy: 1.1717016942701701
Energy: 0.9776597090853835
Energy: 1.1789866532652669
Energy: 1.0508904707772992
Energy: 1.1789866532641349
Energy: 1.156603678651761
Energy: 1.108559608415336
Energy: 1.2103586536855173
Energy: 1.1085596084176

minimum gb energy = 0.8858874208750218 eV
minimum distance =  2.32902955192254 Angstroms
sigma value = 37


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

Energy: 0.853464127097648
Energy: 0.7628756717184948
Energy: 1.700410019684003
Energy: 0.7628756716410123
Energy: 0.8634244629716118
Energy: 0.9075072523692451
Energy: 0.9846845404751755
Energy: 0.9075072523688468
Energy: 1.0992661438995766
Energy: 0.9465657592900538
Energy: 1.054067973541908
Energy: 0.9465657592256288
Energy: 1.1056930546832504
Energy: 1.0036875435389105
Energy: 1.0856120850860345
Energy: 1.0036875434448735
Energy: 0.975286676026128
Energy: 0.9502165107019206
Energy: 1.2167485295437583
Energy: 0.9502165107028944
Energy: 1.2016010293146495
Energy: 1.0857394658679433
Energy: 1.1522022314070546
Energy: 1.0857394658679433
Energy: 1.0367738177834844
Energy: 0.9265192504008414
Energy: 1.1626967422762966
Energy: 0.9265193509761348
Energy: 1.0331605181998906
Energy: 1.2175386507999557
Energy: 1.1420669151247862
Energy: 1.2175386508009294
Energy: 1.039372425164803
Energy: 0.9516149499788423
Energy: 1.1444785529841095
Energy: 0.9516149499786433
Energy: 1.2230100852495829
Energy: 1.0934614361529071
Energy: 1.1712768173590067
Energy: 1.0934614361525088
Energy: 1.0085064869734393
Energy: 0.9506699305381174
Energy: 1.206780898951567
Energy: 0.9506699305379182
Energy: 1.021193004701359
Energy: 1.0952360928688283
Energy: 1.140081299197449
Energy: 1.0952360928678544
Energy: 1.1003445384291355
Energy: 0.9483004881108982
Energy: 1.0636808724238225
Energy: 0.9483004881108982
Energy: 0.8736718873904535
Energy: 0.9323166596345194
Energy: 1.0832554553289304
Energy: 0.9323166596339217
Energy: 0.9101314448894786
Energy: 0.7796231161680344
Energy: 1.2175612498174313
Energy: 0.779623116170181
Energy: 0.932830307315203
Energy: 0.879907120352989
Energy: 1.011090997840353
Energy: 0.8799071203490937
Energy: 1.0995670242726416
Energy: 0.9497290164280396
Energy: 1.0717257323465523
Energy: 0.9497290164266897
Energy: 1.1116648853183353
Energy: 0.9443240610709674
Energy: 1.062654956531366
Energy: 0.9443240610721405
Energy: 0.998485322982735
Energy: 0.9325692584482808
Energy: 1.2173631151339261
Energy: 0.9325692595506975
Energy: 1.0297608674447678
Energy: 1.097463767766058
Energy: 1.2165247204944394
Energy: 1.0974637677650843

minimum gb energy = 0.7628756716410123 eV
minimum distance =  2.3167146211262 Angstroms
sigma value = 25


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

Energy: 0.6830969115856496
Energy: 0.778334069992707
Energy: 1.4302410123166134
Energy: 0.778334069992707
Energy: 0.8057039751728907
Energy: 0.8111409241363021
Energy: 0.8923963134062779
Energy: 0.8111409241363021
Energy: 0.9246098744837169
Energy: 0.8142249470679196
Energy: 0.8679291634374697
Energy: 0.8142249470679196
Energy: 0.9444076559217561
Energy: 0.8847507249773716
Energy: 0.991275300515801
Energy: 0.8847507249788925
Energy: 0.843173053608469
Energy: 0.9028131435406936
Energy: 1.0167125856472377
Energy: 0.902813143539173
Energy: 0.9943236580559509
Energy: 0.9928968609000186
Energy: 1.0397138302596378
Energy: 0.9928968609000186
Energy: 0.9244527047262062
Energy: 0.9024591746787581
Energy: 0.945908337864929
Energy: 0.9024591746802789
Energy: 1.050537620708102
Energy: 0.9813982258869333
Energy: 1.077636652984493
Energy: 0.9813982258854125
Energy: 0.8921727888200305
Energy: 0.9021783112052353
Energy: 0.9863520282428417
Energy: 0.9021783112067561
Energy: 1.0561856677041463
Energy: 1.0633179972400673
Energy: 1.0108415566017346
Energy: 1.0633179972400673
Energy: 0.9115457709454636
Energy: 0.9020876300446783
Energy: 1.0093925738786973
Energy: 0.902087630046199
Energy: 1.0538201378496523
Energy: 0.9828972064910058
Energy: 1.0807326401446065
Energy: 0.9828972064940473
Energy: 0.9092254504547982
Energy: 0.9021505703223855
Energy: 0.9555773448479437
Energy: 0.9021505703239063
Energy: 1.0531807840108873
Energy: 0.984420498483226
Energy: 0.9586361138352245
Energy: 0.9844204984847468
Energy: 0.8526642856332918
Energy: 0.9022687863400087
Energy: 1.0245182446397445
Energy: 0.9022687863384878
Energy: 0.9451203751072134
Energy: 0.894021475546249
Energy: 0.9902940339371306
Energy: 0.894021475546249
Energy: 0.9239157949506095
Energy: 0.8116661409933599
Energy: 0.8957360077110635
Energy: 0.8116661409933599
Energy: 0.7922171191471121
Energy: 0.7874972501646655
Energy: 0.856133514707843
Energy: 0.7874972501631449
Energy: 0.7422224022912723
Energy: 0.7584782363022853
Energy: 1.017534285404831
Energy: 0.7584782363144518
Energy: 0.8011577335793889
Energy: 0.766622372407813
Energy: 0.8909867704781081
Energy: 0.7666223724093338
Energy: 0.9242370724528283
Energy: 0.8115595009384852
Energy: 0.8924132576730159
Energy: 0.8115595009384852
Energy: 0.9892076792713222
Energy: 0.8636464309784396
Energy: 0.901730140526738
Energy: 0.8636464309769188
Energy: 0.873024241074095
Energy: 0.9014187466056195
Energy: 1.0175720280075473
Energy: 0.9014187466056195
Energy: 1.0002944660287818
Energy: 0.8951689046267597
Energy: 1.0401878219887077
Energy: 0.8951689046267597
Energy: 0.89478693338772
Energy: 0.9008874574993447
Energy: 0.9555423463316823
Energy: 0.9008874574978584
Energy: 1.089598040945232
Energy: 0.9856619869557481
Energy: 0.9724678619475495
Energy: 0.9856619869557481

minimum gb energy = 0.6830969115856496 eV
minimum distance =  2.32032806055555 Angstroms
sigma value = 41


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

Energy: 0.6603451598395674
Energy: 0.7272028773932797
Energy: 1.2751015389657434
Energy: 0.7272028773932797
Energy: 0.7435038723186738
Energy: 0.7652115921046647
Energy: 0.8056736175960137
Energy: 0.7652115921071583
Energy: 0.8375080753259194
Energy: 0.7700190062439606
Energy: 0.7169571473436095
Energy: 0.7700190062439606
Energy: 0.859849038327627
Energy: 0.8121122008013426
Energy: 0.806424910859938
Energy: 0.8121122008038362
Energy: 0.7660803249867781
Energy: 0.7913248881625289
Energy: 0.9220327355088285
Energy: 0.7913248881625289
Energy: 0.9105083101852833
Energy: 0.8528815077001897
Energy: 0.916949505100392
Energy: 0.8528815077014366
Energy: 0.9744421598015216
Energy: 0.8466273913614945
Energy: 0.8178390599258585
Energy: 0.8466273913627412
Energy: 0.9452077634142877
Energy: 0.8800825179876927
Energy: 0.9091141922267107
Energy: 0.8800825179876927
Energy: 0.8751204981729378
Energy: 0.8462988319970897
Energy: 0.8972162497930376
Energy: 0.8462988319983364
Energy: 0.9675836010938017
Energy: 0.9432193927295386
Energy: 0.970673911212971
Energy: 0.9432193927295386
Energy: 0.9345352257449763
Energy: 0.8459974957757725
Energy: 0.8528424506380206
Energy: 0.8459974957770194
Energy: 0.9274489107440386
Energy: 0.9500193963369168
Energy: 0.958550726112427
Energy: 0.9500193963356983
Energy: 0.9256226038618732
Energy: 0.8458973734331199
Energy: 0.8741858605097473
Energy: 0.8458973734343667
Energy: 0.9669765832425886
Energy: 0.8944759376779758
Energy: 0.9711507651479954
Energy: 0.8944759376779758
Energy: 0.8866344756063055
Energy: 0.8462164831397977
Energy: 0.893294235152946
Energy: 0.8462164831397977
Energy: 0.9175654485917456
Energy: 0.895143856271463
Energy: 0.9505619503577891
Energy: 0.895143856271463
Energy: 0.9535007713657963
Energy: 0.8460457510005125
Energy: 0.8338611280948987
Energy: 0.8460457510005125
Energy: 0.9101228134192461
Energy: 0.8344429829842869
Energy: 0.8838390949128345
Energy: 0.8344429829880274
Energy: 0.8012025629056944
Energy: 0.7899344790432459
Energy: 0.9078696253000909
Energy: 0.7899344790432459
Energy: 0.8598495594756285
Energy: 0.8379061357344199
Energy: 0.8638406914411894
Energy: 0.8379061357344199
Energy: 0.8440868181283719
Energy: 0.7678613486705065
Energy: 0.7507923536125755
Energy: 0.7678613486705065
Energy: 0.7470443081385665
Energy: 0.722438075136098
Energy: 0.7445846250405097
Energy: 0.7224380751373449
Energy: 0.6753197969494708
Energy: 0.7296325693275485
Energy: 0.918811353301725
Energy: 0.7296325693275485
Energy: 0.7522844571620959
Energy: 0.7211475050432231
Energy: 0.80858465204926
Energy: 0.7211475050444416
Energy: 0.845241742514112
Energy: 0.7682590612979187
Energy: 0.7436312853619366
Energy: 0.768259061295425
Energy: 0.8624574193851667
Energy: 0.7594274619533168
Energy: 0.807788841331015
Energy: 0.7594274619533168
Energy: 0.8002661368051529
Energy: 0.7883542815720483
Energy: 0.9227814508208078
Energy: 0.7883542815720483
Energy: 0.8618661004176127
Energy: 0.8193803481261425
Energy: 0.9213299622207489
Energy: 0.8193803481261425
Energy: 0.973001283139146
Energy: 0.8449565093248218
Energy: 0.8335369610181725
Energy: 0.8449565093260686
Energy: 0.9445307014263647
Energy: 0.835353283560311
Energy: 0.9137503963564436
Energy: 0.835353283560311
Energy: 0.8865665874709378
Energy: 0.8450249299634939
Energy: 0.9034067983991064
Energy: 0.8450249299647405
Energy: 0.9010768938435026
Energy: 0.8961698590871217
Energy: 0.9985150665635257
Energy: 0.8961698590883683

minimum gb energy = 0.6603451598395674 eV
minimum distance =  2.32736542862277 Angstroms
sigma value = 15


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

Energy: 0.6647674025135263
Energy: 0.6907480424082397
Energy: 1.1375787089047855
Energy: 0.6907480424114085
Energy: 0.7086103942958495
Energy: 0.7105087579635163
Energy: 0.7427296655399731
Energy: 0.7105087579635163
Energy: 0.7637766815326101
Energy: 0.7116990342838517
Energy: 0.7317558504998996
Energy: 0.7116990342806832
Energy: 0.7941269154917205
Energy: 0.7397906879788452
Energy: 0.7891589307515269
Energy: 0.739790687973564
Energy: 0.7503701810533204
Energy: 0.740891381980552
Energy: 0.816917539981837
Energy: 0.7408913819773835
Energy: 0.7975112501256806
Energy: 0.7691308866542991
Energy: 0.8341925552727256
Energy: 0.7691308866574675
Energy: 0.8674685813994054
Energy: 0.7543524411839678
Energy: 0.7575779564691136
Energy: 0.7543524411839678
Energy: 0.838233655819439
Energy: 0.7961729589167604
Energy: 0.8371989756035236
Energy: 0.7961729589157042
Energy: 0.7879486952413058
Energy: 0.7906166602352773
Energy: 0.8173138351078221
Energy: 0.790616660238446
Energy: 0.839984133875089
Energy: 0.8139109630201103
Energy: 0.8781476084551701
Energy: 0.8139109630201103
Energy: 0.8451433473352723
Energy: 0.790454925324916
Energy: 0.7597431969794097
Energy: 0.7904549253280847
Energy: 0.8755875209324752
Energy: 0.8560358052440864
Energy: 0.8774492473088317
Energy: 0.8560358052451427
Energy: 0.8047598901885604
Energy: 0.7899727517577192
Energy: 0.7966775513901585
Energy: 0.7899727517577192
Energy: 0.8732374823851989
Energy: 0.8620315611610887
Energy: 0.8703944139944776
Energy: 0.8620315611610887
Energy: 0.8244331762362479
Energy: 0.7899412572510967
Energy: 0.783380721568004
Energy: 0.7899412572489843
Energy: 0.8773459218547955
Energy: 0.8620568922760057
Energy: 0.8764666879684974
Energy: 0.8620568922728371
Energy: 0.840658468335851
Energy: 0.7902492981505647
Energy: 0.7946054230034969
Energy: 0.7902492981484522
Energy: 0.8758615371604229
Energy: 0.8231497421087295
Energy: 0.8387955199305547
Energy: 0.8231497421097858
Energy: 0.8067076785644167
Energy: 0.7902337718636425
Energy: 0.8066941176096475
Energy: 0.7902337718678674
Energy: 0.840028124065456
Energy: 0.8158086446361456
Energy: 0.8375460161012604
Energy: 0.8158086446382581
Energy: 0.8699740908298963
Energy: 0.7535563451567032
Energy: 0.7709182953571819
Energy: 0.7535563451567032
Energy: 0.8263280528951319
Energy: 0.7913896194408998
Energy: 0.8004086044163996
Energy: 0.7913896194408998
Energy: 0.7653335086406651
Energy: 0.7398615928076655
Energy: 0.8224669515155567
Energy: 0.7398615928087217
Energy: 0.7626996968826483
Energy: 0.7331955898006559
Energy: 0.7888413413312408
Energy: 0.7331955898006559
Energy: 0.7630781001436345
Energy: 0.7110178871906495
Energy: 0.7324720878293719
Energy: 0.7110178871969869
Energy: 0.6933246464732452
Energy: 0.6863826114460642
Energy: 0.708734707828094
Energy: 0.6863826114471204
Energy: 0.6657071007475809
Energy: 0.6884437756095347
Energy: 0.8153950547617008
Energy: 0.6884437755947477
Energy: 0.7083367200198077
Energy: 0.6843944523672232
Energy: 0.7434291282954848
Energy: 0.6843944523672232
Energy: 0.7663210369124908
Energy: 0.7108269494282392
Energy: 0.7326971661955198
Energy: 0.7108269494292955
Energy: 0.7830547852179531
Energy: 0.7104760112984195
Energy: 0.7613583103709339
Energy: 0.7104760113005318
Energy: 0.7651524257563139
Energy: 0.7397977106414607
Energy: 0.8167322145917003
Energy: 0.7397977106414607
Energy: 0.796130826789362
Energy: 0.7521189184339324
Energy: 0.8321516013250659
Energy: 0.7521189184339324
Energy: 0.8717761781983865
Energy: 0.7531689133147725
Energy: 0.7695033471770393
Energy: 0.7531689133137164
Energy: 0.8741077851674594
Energy: 0.7727173677857315
Energy: 0.8001657509881807
Energy: 0.7727173677846753
Energy: 0.8092306881971267
Energy: 0.7897860544931212
Energy: 0.8939188199068986
Energy: 0.7897860544931212
Energy: 0.8385342251684865
Energy: 0.8156869322428035
Energy: 0.8768336001928174
Energy: 0.815686932244916
Energy: 0.8501431253484094
Energy: 0.789476483484055
Energy: 0.7930814082755205
Energy: 0.7894764834851112

minimum gb energy = 0.6647674025135263 eV
minimum distance =  2.33327815378049 Angstroms
sigma value = 85


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

Energy: 0.6513037037497073
Energy: 0.6102912673672657
Energy: 0.9406529224563104
Energy: 0.6102912673663496
Energy: 0.5745439829020434
Energy: 0.601882364574149
Energy: 0.6192191097327022
Energy: 0.601882364573233
Energy: 0.6369940269796357
Energy: 0.6164334351589038
Energy: 0.6252528367726664
Energy: 0.6164334351598201
Energy: 0.6618759445798764
Energy: 0.6113459619521401
Energy: 0.6190618654411005
Energy: 0.6113459619493921
Energy: 0.6319614089860925
Energy: 0.6216969677827812
Energy: 0.6958623341061234
Energy: 0.6216969677827812
Energy: 0.6593930363330036
Energy: 0.6174957501064379
Energy: 0.6508169574174572
Energy: 0.6174957501082701
Energy: 0.7548129779406482
Energy: 0.6354452510127127
Energy: 0.6164314258693118
Energy: 0.6354452510117965
Energy: 0.7127390020607712
Energy: 0.6704242088451577
Energy: 0.6680185195015118
Energy: 0.6704242088460738
Energy: 0.6117867853248508
Energy: 0.6256167419465319
Energy: 0.7920474484378127
Energy: 0.625616741947448
Energy: 0.7051315202529519
Energy: 0.6647218067339132
Energy: 0.719053826515911
Energy: 0.6647218067339132
Energy: 0.7151845834162306
Energy: 0.6255535585957338
Energy: 0.6394811195352366
Energy: 0.6255535585948178
Energy: 0.7843966589704424
Energy: 0.7136222307483856
Energy: 0.7129205364377397
Energy: 0.7136222307502177
Energy: 0.6346309721896856
Energy: 0.6251727259670565
Energy: 0.7385848925225775
Energy: 0.6251727259688887
Energy: 0.7721409992390652
Energy: 0.7863247574607664
Energy: 0.7823828776319626
Energy: 0.7863247574598503
Energy: 0.6717463518101765
Energy: 0.6251109796643397
Energy: 0.6663053302224304
Energy: 0.6251109796643397
Energy: 0.7865773360607751
Energy: 0.7930988850430783
Energy: 0.77065243939569
Energy: 0.7930988850439945
Energy: 0.6507147823732985
Energy: 0.6251251966856868
Energy: 0.7037873785596169
Energy: 0.6251251966856868
Energy: 0.7723407688348168
Energy: 0.7927115505931971
Energy: 0.7903426853537948
Energy: 0.7927115505941131
Energy: 0.647376765859202
Energy: 0.6250519876752869
Energy: 0.7277771029425466
Energy: 0.625051987674371
Energy: 0.7220723474107674
Energy: 0.7215208829488116
Energy: 0.7563858609066902
Energy: 0.7215208829469794
Energy: 0.7089334512024105
Energy: 0.6251489280450085
Energy: 0.6499097023557849
Energy: 0.6251489280450085
Energy: 0.698173257642672
Energy: 0.7156454012235387
Energy: 0.7191202502408607
Energy: 0.7156454012244547
Energy: 0.6200109798603277
Energy: 0.6251304828031089
Energy: 0.7928535721763947
Energy: 0.6251304828021929
Energy: 0.6535036939258826
Energy: 0.6597916658346274
Energy: 0.708513649484139
Energy: 0.6597916658346274
Energy: 0.7571352813831083
Energy: 0.6345964711840897
Energy: 0.6191155535508148
Energy: 0.634596471184985
Energy: 0.6603310736319123
Energy: 0.6190770814399068
Energy: 0.6498394857736062
Energy: 0.6190770814399068
Energy: 0.5874180942629083
Energy: 0.6281278909762655
Energy: 0.699965763686728
Energy: 0.6281278909771816
Energy: 0.619046511188618
Energy: 0.6140022367763973
Energy: 0.6160487812978692
Energy: 0.6140022367773135
Energy: 0.6370275233698641
Energy: 0.5989611520252173
Energy: 0.5805645237736282
Energy: 0.5989611520261333
Energy: 0.5699879230444584
Energy: 0.5607318243918465
Energy: 0.6182763835328982
Energy: 0.5607318243936786
Energy: 0.5537154407454286
Energy: 0.5809925992353128
Energy: 0.6963524619963536
Energy: 0.5809925992343967
Energy: 0.5915502441779643
Energy: 0.5668282776676447
Energy: 0.6118252943210901
Energy: 0.5668282776685607
Energy: 0.6372568419615268
Energy: 0.5986251465429331
Energy: 0.5796078850246039
Energy: 0.598625146543849
Energy: 0.66290931604489
Energy: 0.5706720956265552
Energy: 0.6180094007472533
Energy: 0.5706720956256389
Energy: 0.5875608564983306
Energy: 0.6280786765323909
Energy: 0.6962347015839373
Energy: 0.6280786765323909
Energy: 0.6371052124279801
Energy: 0.5922713882781302
Energy: 0.704889651970056
Energy: 0.5922713882772143
Energy: 0.7547796683909433
Energy: 0.6339320615870773
Energy: 0.6192374321091356
Energy: 0.6339320615870773
Energy: 0.7148467972588404
Energy: 0.6293720513795608
Energy: 0.6705977260527477
Energy: 0.629372051382309
Energy: 0.6198948584356877
Energy: 0.6241614362941038
Energy: 0.7924133504551206
Energy: 0.6241614362931878
Energy: 0.6562107795687767
Energy: 0.645042747370316
Energy: 0.7809246761127647
Energy: 0.645042747370316
Energy: 0.7156275003520017
Energy: 0.6240015767248114
Energy: 0.6498141306703347
Energy: 0.6240015767248114
Energy: 0.7848997315449036
Energy: 0.7169563907666409
Energy: 0.7115197738532133
Energy: 0.7169563907675569
Energy: 0.6484028667392139
Energy: 0.6641137590587827
Energy: 0.7365112750306382
Energy: 0.6641137590578665

minimum gb energy = 0.5537154407454286 eV
minimum distance =  2.32933633559305 Angstroms
sigma value = 113


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

Energy: 0.014363247709674943
Energy: 0.014975197524652786
Energy: -0.6703396738486392
Energy: 0.014975197524652786
Energy: 0.02939333027422926
Energy: 0.7393793842992094
Energy: 0.02939333027422926
Energy: 0.7393793842992094
Energy: -0.6703396738975045
Energy: 0.014975197524652786
Energy: 0.014363247709674943
Energy: 0.014975197524652786
Energy: 0.02939333027422926
Energy: 0.7393793842992094
Energy: 0.029393330273525038
Energy: 0.7393793843005787
Energy: 0.014363247709674943
Energy: 0.014975197524652786
Energy: -0.67033967387137
Energy: 0.014975197524652786
Energy: 0.029393330273525038
Energy: 0.7393793843005787
Energy: 0.029393330273525038
Energy: 0.7393793843005787

minimum gb energy = -0.6703396738975045 eV
minimum distance =  2.46736827674097 Angstroms
sigma value = 1