Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000405311585
cohesive_energy=3.360264299713212
mass=26.981538
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=[7.49495025031932e-20, 2.2398429343319997e-19, 2.9671510173363e-19, 3.30437715526062e-19, 3.5810730599524195e-19, 3.8280966533825396e-19, 4.0490848765101597e-19, 4.2455758189039196e-19, 4.41772969822722e-19, 4.56871882421538e-19, 4.70331768323772e-19, 4.82349695255406e-19, 4.92906437096832e-19, 5.019619394322e-19, 5.09666806865106e-19, 5.162229136514339e-19, 5.2178086439478e-19, 5.26423972280112e-19, 5.3026438967180995e-19, 5.33319740512848e-19, 5.35604444392932e-19, 5.37160157904546e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.3805096811305e-19, 5.37253084149318e-19, 5.35987364608458e-19, 5.34232981194228e-19, 5.31704746465776e-19, 5.27966868378654e-19, 5.22489026467008e-19, 5.146992436725e-19, 5.04094436532054e-19, 4.90229199941418e-19, 4.72701387565458e-19, 4.51126477012014e-19, 4.25192043837456e-19, 3.9458886795142193e-19, 3.58594367691978e-19, 3.1624403272545597e-19, 2.67150136306428e-19, 2.1407963748181196e-19, 1.65530481118344e-19, 1.3319839642656058e-19]
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: 0.010325865495568916
Energy: 0.011131561605955595
Energy: 0.39200150786084115
Energy: 0.04996700825145396
Energy: 0.011131561605955595
Energy: 0.42504793083201137
Energy: 0.011131561605955595
Energy: 0.42504793083151166
Energy: 0.39200150786084115
Energy: 0.011131561606455313
Energy: 0.010325865495568916
Energy: 0.011131561605955595
Energy: 0.04996700825145396
Energy: 0.42504793083151166
Energy: 0.011131561605955595
Energy: 0.42504793083201137

minimum gb energy = 0.010325865495568916 eV
minimum distance =  2.85690455196982 Angstroms
sigma value = 1


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

Energy: 0.7533434034912957
Energy: 0.5103547549430346
Energy: 0.5636034433196939
Energy: 0.5646035909807331
Energy: 0.5155177042354807
Energy: 0.5388891323057089
Energy: 0.5348590124178415
Energy: 0.538889132306921
Energy: 0.5643586901158197
Energy: 0.5637612469602604
Energy: 0.8233350059106591
Energy: 0.5637612469602604
Energy: 0.5115326564735974
Energy: 0.5070636324723714
Energy: 0.5110026995217852
Energy: 0.5070636324729773
Energy: 0.7006239116886753
Energy: 0.5122881554647546
Energy: 0.5123684684917315
Energy: 0.5122881554635426
Energy: 0.5244172013861002
Energy: 0.5076937584750346
Energy: 0.5080961565887724
Energy: 0.5076937584744285
Energy: 0.5422958296402861
Energy: 0.5409731418570821
Energy: 0.5229575540104094
Energy: 0.5409731418558701
Energy: 0.5058413643364043
Energy: 0.5050178663643873
Energy: 0.5273577536692079
Energy: 0.5050178663643873
Energy: 0.6056688352428048
Energy: 0.5807677508897815
Energy: 0.552560080421491
Energy: 0.5807677508897815
Energy: 0.5239658902921771
Energy: 0.5564538817733984
Energy: 0.5016586712260755
Energy: 0.5564538817733984
Energy: 0.6408829129580965
Energy: 0.5807721748900715
Energy: 0.6059990730845388
Energy: 0.5807721748894653
Energy: 0.50694560401446
Energy: 0.5548703837239025
Energy: 0.5261437941114565
Energy: 0.5548703837232964
Energy: 0.539857186436353
Energy: 0.5406932143464165
Energy: 0.5222717264235297
Energy: 0.5406932143439922
Energy: 0.524556852135815
Energy: 0.540068224300224
Energy: 0.5197272208783135
Energy: 0.540068224300224
Energy: 0.5218540859028781
Energy: 0.5112496987302082
Energy: 0.5122146005012085
Energy: 0.5112496987302082
Energy: 0.5150145795212324
Energy: 0.5074181175763086
Energy: 0.5116925573872264
Energy: 0.5074181175763086
Energy: 0.563225864869257
Energy: 0.562194775713399
Energy: 0.524984475722742
Energy: 0.5621947757146111
Energy: 0.5351446292789631
Energy: 0.5122628620649919
Energy: 0.5150711081485535
Energy: 0.5122628620643859
Energy: 0.5235524738250211
Energy: 0.5645859123969934
Energy: 0.5658961684341789
Energy: 0.5645859123969934
Energy: 0.5232380441089807
Energy: 0.5398330967923427
Energy: 0.512520883172685
Energy: 0.5398330968008274
Energy: 0.5187538921420195
Energy: 0.5122211101417913
Energy: 0.5217644460996216
Energy: 0.5122211101436093
Energy: 0.5070522371246305
Energy: 0.5070545596543661
Energy: 0.5246312306213241
Energy: 0.5070545596543661
Energy: 0.5221674523760544
Energy: 0.5413215165235981
Energy: 0.5447180322682179
Energy: 0.541321516522992
Energy: 0.5300781360555096
Energy: 0.5503291406632276
Energy: 0.5050926635022
Energy: 0.5503291406632276
Energy: 0.6011823249148698
Energy: 0.5812416461326618
Energy: 0.6058108183843719
Energy: 0.5812416461326618
Energy: 0.5027403840782683
Energy: 0.5743836279290618
Energy: 0.5248822643986634
Energy: 0.5743836279278497
Energy: 0.6064252153184635
Energy: 0.5816354467447145
Energy: 0.633186029969242
Energy: 0.5816354467453204
Energy: 0.5254011292734648
Energy: 0.5750445857629003
Energy: 0.5095079267639178
Energy: 0.5750445857616883
Energy: 0.5221292839752117
Energy: 0.5414054511130525
Energy: 0.5395606841713817
Energy: 0.5414054511142646
Energy: 0.515780611514372
Energy: 0.540735471454485
Energy: 0.5281166429205055
Energy: 0.5407354714533005
Energy: 0.5097316513148443
Energy: 0.5112753238214541
Energy: 0.521620682549775
Energy: 0.5112753238208481
Energy: 0.5127238770936458
Energy: 0.5117815011780321
Energy: 0.5150049503608716
Energy: 0.5117815011780321
Energy: 0.5250256358588148
Energy: 0.5622607674975463
Energy: 0.5627105669719659
Energy: 0.5622607674975463

minimum gb energy = 0.5016586712260755 eV
minimum distance =  2.62569473796356 Angstroms
sigma value = 1


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

Energy: 0.8658601583225204
Energy: 0.5268561995620095
Energy: 0.5885332334813896
Energy: 0.5889739707974417
Energy: 0.5610024440632326
Energy: 0.5584529510318392
Energy: 0.5573440497292339
Energy: 0.5584529510325302
Energy: 0.5889291241026585
Energy: 0.5882810933910744
Energy: 0.7893752165236718
Energy: 0.5882810933883104
Energy: 0.5513268046883125
Energy: 0.5584877961498095
Energy: 0.557400355520797
Energy: 0.5584877961484275
Energy: 0.5420590937093863
Energy: 0.5311331075024499
Energy: 0.5315396588278003
Energy: 0.531133107507978
Energy: 0.5455241146493529
Energy: 0.5247304539658221
Energy: 0.5250925826463689
Energy: 0.5247304539672042
Energy: 0.5734301276541706
Energy: 0.5700605207033287
Energy: 0.6576338060370073
Energy: 0.5700605207012557
Energy: 0.5217510214124266
Energy: 0.5700531012461969
Energy: 0.542682093462724
Energy: 0.5700531012468879
Energy: 0.6580110195277097
Energy: 0.6125110352114093
Energy: 0.6043539649557415
Energy: 0.6125110352127914
Energy: 0.5421752169196762
Energy: 0.5790750581003113
Energy: 0.522508266178844
Energy: 0.5790750580961652
Energy: 0.5367083266901839
Energy: 0.5780222409315132
Energy: 0.5706723778885142
Energy: 0.5780222409370414
Energy: 0.5351044609977458
Energy: 0.5688627775232189
Energy: 0.5654574828316402
Energy: 0.5688627775211459
Energy: 0.5312651338051634
Energy: 0.5309921059007783
Energy: 0.5361217940803963
Energy: 0.5309921058959413
Energy: 0.532529383173552
Energy: 0.5314849048505924
Energy: 0.5322438594273348
Energy: 0.5314849048457553
Energy: 0.5417705460592668
Energy: 0.5889100362847637
Energy: 0.5873777774766249
Energy: 0.5889100362813086
Energy: 0.561128601399776
Energy: 0.5319651945754127
Energy: 0.5576323344003318
Energy: 0.5319651945747218
Energy: 0.5910553542838608
Energy: 0.5890686209463337
Energy: 0.5411427052280556
Energy: 0.5890686209463337
Energy: 0.5522257284463077
Energy: 0.5596398373554192
Energy: 0.5443128797279639
Energy: 0.5596398373540373
Energy: 0.5397453138688667
Energy: 0.5313536365708836
Energy: 0.5331839881135774
Energy: 0.5313536365708836
Energy: 0.5457909978083392
Energy: 0.5288838254589857
Energy: 0.5238111768270916
Energy: 0.5288838254562218
Energy: 0.5758143581510967
Energy: 0.5696738038410974
Energy: 0.6573879804137918
Energy: 0.5696738038486984
Energy: 0.5217839717363764
Energy: 0.578403007841531
Energy: 0.5415098793515088
Energy: 0.578403007839458
Energy: 0.658544586408244
Energy: 0.6125262844889214
Energy: 0.6061732555388245
Energy: 0.6125262844861574
Energy: 0.5424775511535292
Energy: 0.6090624494734876
Energy: 0.5217385631531019
Energy: 0.6090624494700327
Energy: 0.5371749138434927
Energy: 0.5791730516615831
Energy: 0.5701300777450419
Energy: 0.579173051657437
Energy: 0.5322169625355021
Energy: 0.5688552880738158
Energy: 0.5636917073369041
Energy: 0.5688552880765798
Energy: 0.5305892531195837
Energy: 0.5309097155752854
Energy: 0.5361336943819922
Energy: 0.5309097155711394
Energy: 0.532566459037471
Energy: 0.5321098162044282
Energy: 0.532036771563906
Energy: 0.5321098162023551
Energy: 0.5414480229889242
Energy: 0.5870240558721651
Energy: 0.5875294677237175
Energy: 0.5870240558749291

minimum gb energy = 0.5217385631531019 eV
minimum distance =  2.62982095976019 Angstroms
sigma value = 25


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

Energy: 0.8209999028909116
Energy: 0.5413807923291231
Energy: 0.6126178648647085
Energy: 0.6128939462029006
Energy: 0.6084091488330665
Energy: 0.5778574127635528
Energy: 0.5754656605003516
Energy: 0.5778574127635528
Energy: 0.6141066953940834
Energy: 0.6123626816283754
Energy: 0.7403396341386103
Energy: 0.612362681627572
Energy: 0.5693370346121293
Energy: 0.5776422885378618
Energy: 0.5758299735256854
Energy: 0.5776422885370585
Energy: 0.7398695320427506
Energy: 0.5501698314708674
Energy: 0.5508701125726493
Energy: 0.5501698314724739
Energy: 0.5664457634876433
Energy: 0.549912353852816
Energy: 0.5407655788030274
Energy: 0.549912353852816
Energy: 0.6111630785508455
Energy: 0.6143017766399322
Energy: 0.6096926550597954
Energy: 0.6143017766407353
Energy: 0.5398981661366196
Energy: 0.6089500532486047
Energy: 0.5557292955997847
Energy: 0.6089500532478015
Energy: 0.6111592660533924
Energy: 0.614348944869669
Energy: 0.6590330543388887
Energy: 0.614348944869669
Energy: 0.5781284688464745
Energy: 0.612988718239682
Energy: 0.5503235772882319
Energy: 0.6129887182388787
Energy: 0.5532568473249899
Energy: 0.5506574764715718
Energy: 0.5514123423593128
Energy: 0.5506574764723751
Energy: 0.5456421935961807
Energy: 0.5535437712118989
Energy: 0.5748246204940969
Energy: 0.5535437712118989
Energy: 0.6115572286817359
Energy: 0.6124789344265688
Energy: 0.5521638101725129
Energy: 0.6124789344257655
Energy: 0.5755446181597099
Energy: 0.5533096321327401
Energy: 0.6085206519344863
Energy: 0.5533096321327401
Energy: 0.553092967370997
Energy: 0.613638495316951
Energy: 0.6136005300488686
Energy: 0.613638495316951
Energy: 0.5770197696739863
Energy: 0.5788048826809034
Energy: 0.5699840446990666
Energy: 0.5788048826809034
Energy: 0.551708848369349
Energy: 0.5499413790653876
Energy: 0.5551373916466118
Energy: 0.5499413790653876
Energy: 0.5396414083330987
Energy: 0.5493233275112199
Energy: 0.5665884430145259
Energy: 0.5493233275112199
Energy: 0.609810552108672
Energy: 0.6129249989736119
Energy: 0.5676473996000101
Energy: 0.6129249989736119
Energy: 0.5556608863980064
Energy: 0.6145514050767558
Energy: 0.5412473087284465
Energy: 0.6145514050767558
Energy: 0.659035519755449
Energy: 0.6145823092116007
Energy: 0.6107109602680597
Energy: 0.6145823092116007
Energy: 0.5478533666859796
Energy: 0.6125582679222694
Energy: 0.577823159507943
Energy: 0.6125582679238577
Energy: 0.5505903821609808
Energy: 0.550871938102589
Energy: 0.5532191116106995
Energy: 0.550871938102589
Energy: 0.5743482311637376
Energy: 0.5532090696886804
Energy: 0.5456105928551149
Energy: 0.5532090696894838
Energy: 0.5519868196731934
Energy: 0.6129001057598027
Energy: 0.611943070566388
Energy: 0.6129001057589993

minimum gb energy = 0.5396414083330987 eV
minimum distance =  2.63238296202915 Angstroms
sigma value = 9


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

Energy: 0.7548405705890424
Energy: 0.5484711265325292
Energy: 0.6350855256733795
Energy: 0.6328427856632971
Energy: 0.6094410620418647
Energy: 0.5952790145390671
Energy: 0.5865213039100076
Energy: 0.5952790145390671
Energy: 0.6334501805766297
Energy: 0.6326036948533071
Energy: 0.5842743088550597
Energy: 0.6326036948552236
Energy: 0.5810364649834038
Energy: 0.5954186613188247
Energy: 0.5866162716053801
Energy: 0.5954186613197829
Energy: 0.6751348792608509
Energy: 0.5704039280396657
Energy: 0.5715493561994669
Energy: 0.5704039280396657
Energy: 0.587793468046413
Energy: 0.5704756670755486
Energy: 0.5633203883475314
Energy: 0.5704756670755486
Energy: 0.5955497980795874
Energy: 0.626678653602371
Energy: 0.6772818522748855
Energy: 0.6266786536033292
Energy: 0.5637173489621777
Energy: 0.6315250139487159
Energy: 0.58722219896499
Energy: 0.6315250139467993
Energy: 0.5697931097819036
Energy: 0.5707263145314524
Energy: 0.5591973692640975
Energy: 0.5707263145324106
Energy: 0.5860825665944689
Energy: 0.5741265273945668
Energy: 0.5547094511030561
Energy: 0.5741265273897755
Energy: 0.7526190959508992
Energy: 0.6320987473664983
Energy: 0.6322238664784395
Energy: 0.6320987473655401
Energy: 0.609501597838228
Energy: 0.5786257328717208
Energy: 0.5863621601235078
Energy: 0.5786257328717208
Energy: 0.6355989397643546
Energy: 0.6347322251610837
Energy: 0.5838651671227887
Energy: 0.6347322251601256
Energy: 0.578592473083581
Energy: 0.5970932981179989
Energy: 0.5839932453192953
Energy: 0.5970932981199154
Energy: 0.675232268034471
Energy: 0.5701690816941901
Energy: 0.5700449500155986
Energy: 0.5701690816941901
Energy: 0.5889025716790939
Energy: 0.5701550474528088
Energy: 0.5694908028303993
Energy: 0.5701550474528088
Energy: 0.5939142615900332
Energy: 0.6287092432283794
Energy: 0.6777618994118672
Energy: 0.6287092432274212
Energy: 0.5853378469192336
Energy: 0.6306506760886161
Energy: 0.5879821727536074
Energy: 0.6306506760876579
Energy: 0.569216689968404
Energy: 0.5707800691941856
Energy: 0.5593522545510997
Energy: 0.5707800691941856
Energy: 0.5862643654405217
Energy: 0.5739777936642498
Energy: 0.5546886864916243
Energy: 0.5739777936652081
Energy: 0.5580217821302311
Energy: 0.6318059607346563
Energy: 0.6319503512442659
Energy: 0.6318059607365728

minimum gb energy = 0.5484711265325292 eV
minimum distance =  2.63147065638969 Angstroms
sigma value = 25


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

Energy: 0.6588275489766459
Energy: 0.5439741329883548
Energy: 0.6519262213596605
Energy: 0.6464650012349437
Energy: 0.6157805028815259
Energy: 0.5792802770874901
Energy: 0.5870227890421267
Energy: 0.5792802770886751
Energy: 0.6472648807007887
Energy: 0.6459570173734701
Energy: 0.6462637968289866
Energy: 0.6459570173734701
Energy: 0.5785313551588779
Energy: 0.5795871451178711
Energy: 0.5870707387677074
Energy: 0.5795871451190563
Energy: 0.5985944089474265
Energy: 0.6019080835548315
Energy: 0.601991010382343
Energy: 0.6019080835643119
Energy: 0.6181824977435343
Energy: 0.601206379135838
Energy: 0.6038254550848611
Energy: 0.6012063791275427
Energy: 0.6605752152427283
Energy: 0.6181188409488755
Energy: 0.6025562779802923
Energy: 0.6181188409488755
Energy: 0.5781817827445823
Energy: 0.6023331459902606
Energy: 0.5866344294363692
Energy: 0.6023331459890754
Energy: 0.6458649908923052
Energy: 0.6452782275464088
Energy: 0.6154073220780247
Energy: 0.6452782275464088
Energy: 0.5869181647752781
Energy: 0.578407023924472
Energy: 0.615062610015146
Energy: 0.5784070239232869
Energy: 0.6481642696367725
Energy: 0.6488135829475641
Energy: 0.6498667201571363
Energy: 0.6488135829475641
Energy: 0.616945142449918
Energy: 0.5807832654088911
Energy: 0.6456510718362859
Energy: 0.5807832654088911
Energy: 0.5867479299814533
Energy: 0.6016473396069875
Energy: 0.5985953529860806
Energy: 0.6016473396164679
Energy: 0.602779245172319
Energy: 0.6189525340387495
Energy: 0.6198778545765488
Energy: 0.6189525340387495
Energy: 0.601886768901671
Energy: 0.6177911345927909
Energy: 0.6624685361283418
Energy: 0.6177911345927909
Energy: 0.5896122558389967
Energy: 0.6021629890876797
Energy: 0.6613999333970836
Energy: 0.6021629890876797
Energy: 0.6155562296638356
Energy: 0.6451540345528062
Energy: 0.6451960625907989
Energy: 0.6451540345528062

minimum gb energy = 0.5439741329883548 eV
minimum distance =  2.63991632224187 Angstroms
sigma value = 17


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

Energy: 0.877836720885664
Energy: 0.6530615745686753
Energy: 0.7219393767153872
Energy: 0.7225249972728975
Energy: 0.6286388410245985
Energy: 0.5601356535542247
Energy: 0.6581330940292146
Energy: 0.5601356535522112
Energy: 0.6012167270112602
Energy: 0.5994439517388795
Energy: 0.6551484302144249
Energy: 0.5994439517382083
Energy: 0.5597201695833501
Energy: 0.5698311303008752
Energy: 0.6264914836475823
Energy: 0.5698311303028887
Energy: 0.6725677660940441
Energy: 0.6473596817126569
Energy: 0.6228031625221986
Energy: 0.6473596817119859
Energy: 0.6248657901566465
Energy: 0.6527363588696496
Energy: 0.6107596693276056
Energy: 0.6527363588696496
Energy: 0.7191513280513461
Energy: 0.6004211304080399
Energy: 0.5995621451125008
Energy: 0.6004211304060264
Energy: 0.6460163925326423
Energy: 0.6004212680742854
Energy: 0.6005720817413654
Energy: 0.6004212680756277
Energy: 0.7193625988688622
Energy: 0.7195826075563219
Energy: 0.6530648864276436
Energy: 0.7195826075569929
Energy: 0.7191153915832683
Energy: 0.6079648776094347
Energy: 0.6248923342239974
Energy: 0.6079648776087634
Energy: 0.6710270651304335
Energy: 0.5852749484332797
Energy: 0.5856574489562707
Energy: 0.5852749484332797
Energy: 0.6476524970299175
Energy: 0.5843180777091364
Energy: 0.5854279807861554
Energy: 0.5843180777084652
Energy: 0.6579679473699623
Energy: 0.5861475120818956
Energy: 0.5844477456673756
Energy: 0.5861475120832379
Energy: 0.7192748260369389
Energy: 0.5838250807392754
Energy: 0.5823668407885473
Energy: 0.5838250807392754
Energy: 0.7164208215111852
Energy: 0.7164964467961881
Energy: 0.6434221120956182
Energy: 0.7164964467955168
Energy: 0.7210454159496714
Energy: 0.7202180511571575
Energy: 0.6433839437405756
Energy: 0.7202180511578288
Energy: 0.6536870474251313
Energy: 0.5996563559967308
Energy: 0.5995957601294093
Energy: 0.5996563559792807
Energy: 0.6535692222340218
Energy: 0.5995492888471649
Energy: 0.5993468330995945
Energy: 0.5995492888451514
Energy: 0.6247706086074616
Energy: 0.6498444524568454
Energy: 0.6723884511776654
Energy: 0.6498444524568454
Energy: 0.6169490273261036
Energy: 0.6481072352695262
Energy: 0.6474855114435499
Energy: 0.6481072352701975
Energy: 0.6008332577916131
Energy: 0.559997562693829
Energy: 0.6487474635716749
Energy: 0.5599975626958426
Energy: 0.6002656798569748
Energy: 0.6005820495885608
Energy: 0.7241009752939196
Energy: 0.6005820495885608
Energy: 0.6233760927577507
Energy: 0.6082297871070763
Energy: 0.7183544726290821
Energy: 0.6082297871084188
Energy: 0.6532932778721567
Energy: 0.7157424409804448
Energy: 0.7166657370776037
Energy: 0.7157424409804448
Energy: 0.584869458635579
Energy: 0.559438792403452
Energy: 0.6083420852311905
Energy: 0.559438792403452
Energy: 0.585156593031035
Energy: 0.5850210962199018
Energy: 0.6706463365245955
Energy: 0.5850210962199018
Energy: 0.5693447187204642
Energy: 0.6843159442028957
Energy: 0.647077467808745
Energy: 0.6843159442028957
Energy: 0.5889556793951417
Energy: 0.584845463133462
Energy: 0.723133913462592
Energy: 0.584845463133462
Energy: 0.5812758946872265
Energy: 0.5607174906421414
Energy: 0.6254663926967776
Energy: 0.5607174906434838
Energy: 0.6433976764415813
Energy: 0.7164996102074263
Energy: 0.7169496858717446
Energy: 0.7164996102074263

minimum gb energy = 0.559438792403452 eV
minimum distance =  2.62869837498345 Angstroms
sigma value = 53


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

Energy: 0.7753134502647361
Energy: 0.5176577719739535
Energy: 0.6570233029885423
Energy: 0.6531977082492583
Energy: 0.6174501864285801
Energy: 0.5428420224575703
Energy: 0.5757512074656873
Energy: 0.5428420224575703
Energy: 0.6523280780548298
Energy: 0.6535589519564101
Energy: 0.5738600861649241
Energy: 0.6535589519595004
Energy: 0.563920538299205
Energy: 0.5437960597917323
Energy: 0.5756728124760203
Energy: 0.5437960597932774
Energy: 0.5770109978816997
Energy: 0.5411112090152181
Energy: 0.5047973318217486
Energy: 0.5411112090152181
Energy: 0.5629150286000929
Energy: 0.5440417310066051
Energy: 0.5048149630214775
Energy: 0.5440417310050601
Energy: 0.6157793204714135
Energy: 0.6507736220627873
Energy: 0.6548795132343346
Energy: 0.6507736220643324
Energy: 0.6160787122191158
Energy: 0.5638371059686011
Energy: 0.6560671427792273
Energy: 0.5638371059886877
Energy: 0.6492308987928339
Energy: 0.6418051258856354
Energy: 0.5748310970405206
Energy: 0.6418051258840903
Energy: 0.5631525606028044
Energy: 0.5632336237200044
Energy: 0.5761085370602634
Energy: 0.5632336237169142
Energy: 0.5766721939742678
Energy: 0.5447833076605246
Energy: 0.5050755448239009
Energy: 0.5447833076605246
Energy: 0.5643423256378247
Energy: 0.5411507041237286
Energy: 0.5075635041945449
Energy: 0.5411507041144578
Energy: 0.6163182585521613
Energy: 0.5646786499723176
Energy: 0.6414234964892215
Energy: 0.5646786499676822

minimum gb energy = 0.5047973318217486 eV
minimum distance =  2.61426232446363 Angstroms
sigma value = 9


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

Energy: 0.7886418288762869
Energy: 0.7281722292925292
Energy: 0.7761916887848802
Energy: 0.771644709792478
Energy: 0.6191659209348367
Energy: 0.5391356660773631
Energy: 0.7372231657529442
Energy: 0.5391356660733599
Energy: 0.5677920806543358
Energy: 0.5680956262273469
Energy: 0.6999986643068901
Energy: 0.568095626226775
Energy: 0.5730146166702622
Energy: 0.5403344119936418
Energy: 0.721791846299428
Energy: 0.5403344119884951
Energy: 0.5675042763116522
Energy: 0.5681090119979009
Energy: 0.7013440926917274
Energy: 0.5681090120007604
Energy: 0.5940579040427452
Energy: 0.5796941574281461
Energy: 0.699083697879625
Energy: 0.5796941574275741
Energy: 0.7194032802718139
Energy: 0.759017727792794
Energy: 0.7686371105550976
Energy: 0.7590177277945096
Energy: 0.7246821996758611
Energy: 0.6947850562395618
Energy: 0.7506358635827632
Energy: 0.6947850562384181
Energy: 0.5784519813185559
Energy: 0.6124148685226747
Energy: 0.5955332648579205
Energy: 0.6124148685221027
Energy: 0.5490487803549372
Energy: 0.613979123689078
Energy: 0.6597413554381663
Energy: 0.6139791236907937
Energy: 0.6520464437061442
Energy: 0.6114891051441985
Energy: 0.7099430153888691
Energy: 0.6114891051436268
Energy: 0.672587913196335
Energy: 0.6751248671626127
Energy: 0.736364673117021
Energy: 0.6751248671649
Energy: 0.7251677658748894
Energy: 0.6039849058817972
Energy: 0.6500741782524722
Energy: 0.6039849058817972
Energy: 0.7206121319850732
Energy: 0.6487274000361445
Energy: 0.651849203805261
Energy: 0.6487274000304257
Energy: 0.6517399246922948
Energy: 0.6033114281749052
Energy: 0.6230447098573582
Energy: 0.6033114281720459
Energy: 0.6466844951497724
Energy: 0.6659997971341084
Energy: 0.6219760907338645
Energy: 0.665999797135824
Energy: 0.7314511739354235
Energy: 0.5610370567484203
Energy: 0.5995440070945052
Energy: 0.5610370567478484
Energy: 0.7090612880260152
Energy: 0.7085921103645421
Energy: 0.7270393015173049
Energy: 0.7085921103651139
Energy: 0.7110528825284952
Energy: 0.691715875745461
Energy: 0.6188273666855632
Energy: 0.6917158757431734
Energy: 0.7016118834575028
Energy: 0.6082497834782402
Energy: 0.606870962465469
Energy: 0.6082497834799558
Energy: 0.7316529211293632
Energy: 0.5638758564813178
Energy: 0.6096603365942628
Energy: 0.563875856484749
Energy: 0.6995242571475758
Energy: 0.5672618763168469
Energy: 0.5675387244556345
Energy: 0.567261876316275
Energy: 0.7009872813090984
Energy: 0.5998318046377535
Energy: 0.5690767199836521
Energy: 0.5998318046388974
Energy: 0.7745837876060243
Energy: 0.7618987404025316
Energy: 0.7200485500162402
Energy: 0.7618987403985285
Energy: 0.750275862008931
Energy: 0.7507836612721316
Energy: 0.7272455190913847
Energy: 0.7507836612744191
Energy: 0.5971551631130575
Energy: 0.629799875457204
Energy: 0.577492557628729
Energy: 0.6297998754583477
Energy: 0.6656833099959779
Energy: 0.6077467339877257
Energy: 0.5485482095312417
Energy: 0.6077467339848663
Energy: 0.7068747988193135
Energy: 0.6129730113783768
Energy: 0.6531359517217444
Energy: 0.6129730113772329
Energy: 0.7382376071584619
Energy: 0.6496674407674136
Energy: 0.6488293286183702
Energy: 0.6496674407674136
Energy: 0.6948261257227754
Energy: 0.6194613903103094
Energy: 0.7369923358012285
Energy: 0.6194613903108813
Energy: 0.6517013297950641
Energy: 0.6492372420109646
Energy: 0.6979999336492891
Energy: 0.6492372420103927
Energy: 0.6245159612376625
Energy: 0.6365068154315112
Energy: 0.6639118718403781
Energy: 0.6365068154297956
Energy: 0.5807892859641277
Energy: 0.624401302375904
Energy: 0.6477599285518288
Energy: 0.6244013023719008
Energy: 0.5773213112002379
Energy: 0.5413585412392604
Energy: 0.6441157924402613
Energy: 0.5413585412420938
Energy: 0.7189358549433456
Energy: 0.7484312474192942
Energy: 0.752783323395659
Energy: 0.748431247419866

minimum gb energy = 0.5391356660733599 eV
minimum distance =  2.60966059144681 Angstroms
sigma value = 73


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

Energy: 0.7645446073078971
Energy: 0.6870907184066816
Energy: 0.7532462756578089
Energy: 0.7194129894818367
Energy: 0.6157645802266861
Energy: 0.6588192672938848
Energy: 0.6993028476150474
Energy: 0.6588192672956996
Energy: 0.5824058821747757
Energy: 0.5820695652453379
Energy: 0.6301394287465204
Energy: 0.5820695652444307
Energy: 0.5828595813655817
Energy: 0.5393982676180821
Energy: 0.7081670329494448
Energy: 0.5393982676180821
Energy: 0.5765599006817325
Energy: 0.578528103428123
Energy: 0.7055455934423135
Energy: 0.5785281034272156
Energy: 0.5963194193359247
Energy: 0.5981179137791988
Energy: 0.7052349442955478
Energy: 0.5981179137810134
Energy: 0.6957964518286305
Energy: 0.7330551436704127
Energy: 0.7473645446849199
Energy: 0.733055143668598
Energy: 0.6983177234575784
Energy: 0.6665253700852803
Energy: 0.7166809631302247
Energy: 0.6665253700870951
Energy: 0.6239978531330923
Energy: 0.621737689218733
Energy: 0.663789110360444
Energy: 0.621737689218733
Energy: 0.5474520343472625
Energy: 0.6215089351883929
Energy: 0.6758154395574002
Energy: 0.6215089351893002
Energy: 0.6528918499511684
Energy: 0.6289884187832179
Energy: 0.6298537243396227
Energy: 0.6289884187823105
Energy: 0.6556560984980733
Energy: 0.6557862245829916
Energy: 0.6703449453590844
Energy: 0.6557862245829916
Energy: 0.6578459351240863
Energy: 0.6099554200351177
Energy: 0.641027670989755
Energy: 0.6099554200351177
Energy: 0.6324452853084582
Energy: 0.6412535904434339
Energy: 0.640712695099846
Energy: 0.6412535904425266
Energy: 0.7189240627665296
Energy: 0.56499327971058
Energy: 0.5493408434789989
Energy: 0.5649932797114874
Energy: 0.7060119085809065
Energy: 0.5752982010608544
Energy: 0.5745646405142575
Energy: 0.5752982010590397
Energy: 0.7695683138258684
Energy: 0.6642704705320495
Energy: 0.574821635698158
Energy: 0.6642704705329567
Energy: 0.7299373181268652
Energy: 0.7304225893435875
Energy: 0.6948293078217914
Energy: 0.730422589345402
Energy: 0.7185007219305894
Energy: 0.6489784131075372
Energy: 0.694987358104811
Energy: 0.6489784131057225
Energy: 0.6035406410604939
Energy: 0.5635264010044234
Energy: 0.5973784661339262
Energy: 0.5635264010053307
Energy: 0.6149765583623099
Energy: 0.5728848255939172
Energy: 0.5472176031635932
Energy: 0.572884825590288
Energy: 0.7325912830811655
Energy: 0.7188736481299164
Energy: 0.71932497308736
Energy: 0.7188736481308237

minimum gb energy = 0.5393982676180821 eV
minimum distance =  2.601296162539 Angstroms
sigma value = 7


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

Energy: 0.959805142877133
Energy: 0.7140054902663104
Energy: 0.7787094372186797
Energy: 0.7775556377574715
Energy: 0.5618521841989363
Energy: 0.6048261187431595
Energy: 0.78145498322439
Energy: 0.6048261187393393
Energy: 0.5444070714007936
Energy: 0.5456424420672393
Energy: 0.592730779525991
Energy: 0.5456424420685223
Energy: 0.5486285734226624
Energy: 0.5139157965437655
Energy: 0.7417995074225862
Energy: 0.5139157965424823
Energy: 0.6295540912965161
Energy: 0.6286344720360242
Energy: 0.674509578832632
Energy: 0.6286344720379489
Energy: 0.6564615661942077
Energy: 0.6201160821221786
Energy: 0.6753008660062324
Energy: 0.6201160821247449
Energy: 0.7399379719882858
Energy: 0.6653062427201459
Energy: 0.6273908123110471
Energy: 0.6653062427207875
Energy: 0.7315086203698706
Energy: 0.6000504881717169
Energy: 0.6312301332869034
Energy: 0.6000504881717169
Energy: 0.7682675757551011
Energy: 0.5305953823388686
Energy: 0.5454747776875066
Energy: 0.5305953823395102
Energy: 0.6751804508062634
Energy: 0.5450297073111331
Energy: 0.5446077970837288
Energy: 0.5450297073117747
Energy: 0.7857471366120126
Energy: 0.628878951537748
Energy: 0.6016398071798934
Energy: 0.6288789515383896
Energy: 0.733418851221647
Energy: 0.7339048717980433
Energy: 0.738162400613974
Energy: 0.7339048717974017
Energy: 0.643532839849789
Energy: 0.5971381356382051
Energy: 0.6702847516164174
Energy: 0.5971381356349971
Energy: 0.6187614080721044
Energy: 0.5827596804478637
Energy: 0.538906200521964
Energy: 0.5827596804497884
Energy: 0.7391207730257441
Energy: 0.5969745730608612
Energy: 0.6283149366662231
Energy: 0.5969745730621444
Energy: 0.7474761328496238
Energy: 0.70290774434239
Energy: 0.6993984750426983
Energy: 0.7029077443436732
Energy: 0.7633399514300723
Energy: 0.6090004487786904
Energy: 0.7606184552861848
Energy: 0.6090004487767655
Energy: 0.5889546483555222
Energy: 0.5896393856434033
Energy: 0.5917692568717201
Energy: 0.5896393856472529
Energy: 0.5891581534451749
Energy: 0.5409221232249702
Energy: 0.7352834770171528
Energy: 0.5409221232243286
Energy: 0.628721651724798
Energy: 0.612192106069441
Energy: 0.7736287182417052
Energy: 0.612192106070724
Energy: 0.6626707673369441
Energy: 0.6635871285712341
Energy: 0.6732284575816643
Energy: 0.6635871285718756
Energy: 0.7326986063312352
Energy: 0.656271960850067
Energy: 0.7544735010393169
Energy: 0.6562719608519918
Energy: 0.7334215408510694
Energy: 0.6306644861600732
Energy: 0.6327008685330612
Energy: 0.6306644861607148
Energy: 0.739533794725853
Energy: 0.515802047477304
Energy: 0.5490620289340339
Energy: 0.5158020474779456
Energy: 0.6753370150389422
Energy: 0.546924307228884
Energy: 0.546150221386906
Energy: 0.5469243072301672
Energy: 0.7797067232073529
Energy: 0.6173969004364025
Energy: 0.5472872494912929
Energy: 0.6173969004364025
Energy: 0.7317525049989263
Energy: 0.7342573023051575
Energy: 0.8243400533783503
Energy: 0.7342573023038743
Energy: 0.7349769480827357
Energy: 0.6174698757195025
Energy: 0.6116251351097735
Energy: 0.6174698757175778
Energy: 0.5687940459683584
Energy: 0.5384849909462869
Energy: 0.5687462154551358
Energy: 0.53848499094757
Energy: 0.6353909518759278
Energy: 0.6262587186972662
Energy: 0.5382083434469972
Energy: 0.6262587187011157
Energy: 0.7726434472235483
Energy: 0.7343720580472465
Energy: 0.7367730774681771
Energy: 0.7343720580498129

minimum gb energy = 0.5139157965424823 eV
minimum distance =  2.59801397064017 Angstroms
sigma value = 29


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

Energy: 0.4052004892424585
Energy: 0.40644837744178286
Energy: 0.556276443640317
Energy: 0.6650226841677848
Energy: 0.5594077636232153
Energy: 0.46585694329759764
Energy: 0.5832006494749162
Energy: 0.46585694384735876
Energy: 0.697531991632316
Energy: 0.5981516391195791
Energy: 0.5523278128553241
Energy: 0.5981516391350986
Energy: 0.559749416625393
Energy: 0.4145364612427549
Energy: 0.5804815115145759
Energy: 0.41453646126068294
Energy: 0.5544127754292476
Energy: 0.5563549485555198
Energy: 0.4061102476089567
Energy: 0.5563549485651295
Energy: 0.5805984328836961
Energy: 0.5974997867214145
Energy: 0.4062617681676391
Energy: 0.5974997867220601
Energy: 0.4112662348942578
Energy: 0.5979806066532641
Energy: 0.6966510966626018
Energy: 0.5979806066648354
Energy: 0.5808342756501526
Energy: 0.5543251905037352
Energy: 0.6882183890412491
Energy: 0.5543251904976266
Energy: 0.5596600026252554
Energy: 0.554308532521074
Energy: 0.5533506142556321
Energy: 0.5543085325228122

minimum gb energy = 0.4052004892424585 eV
minimum distance =  2.62811393480971 Angstroms
sigma value = 5


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

Energy: 0.6477539502408
Energy: 0.5269498168831258
Energy: 0.70007573222961
Energy: 0.4771512043069281
Energy: 0.6393700979841032
Energy: 0.47509744346956617
Energy: 0.5828548547774705
Energy: 0.47509744346956617
Energy: 0.5843482258393629
Energy: 0.503057984882448
Energy: 0.5790637340808201
Energy: 0.50305798488366
Energy: 0.47304566383938235
Energy: 0.47553013600518773
Energy: 0.6593642560223112
Energy: 0.47553013600215743
Energy: 0.5788662744641366
Energy: 0.5824120721845485
Energy: 0.7281992805272722
Energy: 0.5824120721815182
Energy: 0.4855918061675393
Energy: 0.4756641035767475
Energy: 0.7284690098338503
Energy: 0.475664103527079
Energy: 0.4750113465729523
Energy: 0.474787925318816
Energy: 0.657817146330688
Energy: 0.47478792531820996
Energy: 0.475298968442731
Energy: 0.47585948662890665
Energy: 0.6817966475035685
Energy: 0.4758594866283006
Energy: 0.6379523921962441
Energy: 0.5866461928895733
Energy: 0.6829202114989856
Energy: 0.5866461928883613
Energy: 0.5584777370625753
Energy: 0.47815768523709623
Energy: 0.4828609926949549
Energy: 0.4781576852377023
Energy: 0.6356754415542426
Energy: 0.4772899089552344
Energy: 0.47912852111400833
Energy: 0.4772899089546283
Energy: 0.6780489068262977
Energy: 0.47791229194077856
Energy: 0.48407315374817733
Energy: 0.47791229194135704
Energy: 0.6776395659481729
Energy: 0.6843202185065947
Energy: 0.6644906830566465
Energy: 0.6843202185072009
Energy: 0.6356588797387687
Energy: 0.5862798151917389
Energy: 0.577460368804038
Energy: 0.5862798151911329
Energy: 0.47675916141347185
Energy: 0.47537469529745946
Energy: 0.5798428215575681
Energy: 0.47537469529745946
Energy: 0.47792613864691424
Energy: 0.4757362193998619
Energy: 0.6602692195263206
Energy: 0.47573621940046795
Energy: 0.4847798294314855
Energy: 0.47539800721219855
Energy: 0.7909538116486631
Energy: 0.47539800719765335
Energy: 0.5800455060817231
Energy: 0.4752382752049936
Energy: 0.6312274815412089
Energy: 0.4752382752068118
Energy: 0.5796397175485091
Energy: 0.5044201476434106
Energy: 0.586701844556718
Energy: 0.5044201476421984
Energy: 0.6578563833619177
Energy: 0.4751125207111657
Energy: 0.47108413942434374
Energy: 0.4751125207093476
Energy: 0.7280700494848666
Energy: 0.4755294102687593
Energy: 0.5783609438659985
Energy: 0.4755294102699714
Energy: 0.7290810472582585
Energy: 0.4755061599696456
Energy: 0.48658599715733347
Energy: 0.47550615996782747
Energy: 0.660044035068877
Energy: 0.4748172634446193
Energy: 0.4762804474523398
Energy: 0.4748172634476495
Energy: 0.6795479697564193
Energy: 0.4764131086024625
Energy: 0.479293126249973
Energy: 0.4764131086024625
Energy: 0.6802727616033529
Energy: 0.5869383457487388
Energy: 0.6362557314010234
Energy: 0.5869383457493447
Energy: 0.5641102308397259
Energy: 0.48020387626904876
Energy: 0.5584383901471828
Energy: 0.4802038762835939
Energy: 0.4807175357317733
Energy: 0.47728318772076284
Energy: 0.6377573609395457
Energy: 0.47728318772076284
Energy: 0.5815404606436628
Energy: 0.4777754966685269
Energy: 0.7756884942779287
Energy: 0.4777754966673148
Energy: 0.6573271738049709
Energy: 0.658090344017495
Energy: 0.6770415631566324
Energy: 0.6580903440168889
Energy: 0.5780872717404294
Energy: 0.5865127760023834
Energy: 0.6359179488412015
Energy: 0.5865127760023834
Energy: 0.5783018272071246
Energy: 0.4756535691814597
Energy: 0.4783197478084763
Energy: 0.4756535691808536
Energy: 0.6601936335613597
Energy: 0.47567574671431867
Energy: 0.4783943607124307
Energy: 0.4756757467173214
Energy: 0.773141067134838
Energy: 0.47655037491662955
Energy: 0.48756971504824304
Energy: 0.47655037491784163

minimum gb energy = 0.47108413942434374 eV
minimum distance =  2.63002697786005 Angstroms
sigma value = 1


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

Energy: 0.7901296080171578
Energy: 0.5251809745427035
Energy: 0.6983875477096457
Energy: 0.4677833090104091
Energy: 0.6889513015780081
Energy: 0.46861736685294225
Energy: 0.6066522681192978
Energy: 0.46861736685210426
Energy: 0.6025931271565002
Energy: 0.509439622399467
Energy: 0.6038532984904093
Energy: 0.509439622398629
Energy: 0.5210782436824669
Energy: 0.4711527180527902
Energy: 0.6893537228964912
Energy: 0.4711527180527902
Energy: 0.6806470585808034
Energy: 0.538913793861879
Energy: 0.8112867575786964
Energy: 0.538913793861879
Energy: 0.470172539708763
Energy: 0.47089206890537233
Energy: 0.811438730508967
Energy: 0.47089206890453444
Energy: 0.47022806972027614
Energy: 0.470481443235392
Energy: 0.7431496098668449
Energy: 0.47048144323623003
Energy: 0.48406057986571077
Energy: 0.47153066310343567
Energy: 0.7582178630622349
Energy: 0.4715306631017598
Energy: 0.6466724610649929
Energy: 0.5818533062966795
Energy: 0.7590100906834931
Energy: 0.5818533062975175
Energy: 0.6417727642681466
Energy: 0.5823602987911676
Energy: 0.5254858299790347
Energy: 0.5823602987911676
Energy: 0.6465357170393261
Energy: 0.47004170017983377
Energy: 0.5255858959162494
Energy: 0.47004170017815783
Energy: 0.7221698184172521
Energy: 0.45786824613756893
Energy: 0.5248710680118284
Energy: 0.457868246135893
Energy: 0.7255461695893975
Energy: 0.6591499459011818
Energy: 0.6871107676974383
Energy: 0.6591499459003439
Energy: 0.6733090258627262
Energy: 0.4595971516475316
Energy: 0.6603567640382487
Energy: 0.4595971516475316
Energy: 0.5370258722982999
Energy: 0.5982316792848884
Energy: 0.6580937817557904
Energy: 0.5982316792832126
Energy: 0.5363292784767235
Energy: 0.5667699489488078
Energy: 0.7536064077147706
Energy: 0.5667699489488078
Energy: 0.5415370027571159
Energy: 0.5410593855037752
Energy: 0.8105141956724728
Energy: 0.5410593855062891
Energy: 0.4866435737775946
Energy: 0.47068159571288126
Energy: 0.8121229439831257
Energy: 0.47068159571288126
Energy: 0.4720867878674111
Energy: 0.4703932922141864
Energy: 0.7587506042783106
Energy: 0.4703932922141864
Energy: 0.5919853902806834
Energy: 0.6682380132689145
Energy: 0.7586912684852749
Energy: 0.6682380132705903
Energy: 0.6680186067546388
Energy: 0.6279458487771254
Energy: 0.71982126494188
Energy: 0.6279458487771254
Energy: 0.6677699592707826
Energy: 0.4679950705786802
Energy: 0.4683722515558566
Energy: 0.4679950705803561
Energy: 0.709215733117575
Energy: 0.4678303870474441
Energy: 0.46896980054759635
Energy: 0.467830387048263
Energy: 0.7567971376082191
Energy: 0.4680404469878792
Energy: 0.4673109732297441
Energy: 0.4680404469878792

minimum gb energy = 0.457868246135893 eV
minimum distance =  2.63376028675378 Angstroms
sigma value = 17


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

Energy: 0.7606152397154513
Energy: 0.5088847842112213
Energy: 0.7386863452469715
Energy: 0.46532410299567833
Energy: 0.7937263334524024
Energy: 0.4634526682033262
Energy: 0.557982974163863
Energy: 0.4634526682059158
Energy: 0.6426842047527573
Energy: 0.5794257924777119
Energy: 0.5517123102161159
Energy: 0.5794257924751223
Energy: 0.6381772212813822
Energy: 0.6423059770917967
Energy: 0.6667998471398332
Energy: 0.6423059770933505
Energy: 0.7134172088712933
Energy: 0.5519755418232808
Energy: 0.7023821827472274
Energy: 0.5519755418248345
Energy: 0.49033809865542266
Energy: 0.4642939425816794
Energy: 0.8061189685029955
Energy: 0.4642939425785718
Energy: 0.4635238457370774
Energy: 0.46290747826308754
Energy: 0.7260708326654485
Energy: 0.46290747825998
Energy: 0.48649047822408015
Energy: 0.4640162335790234
Energy: 0.7732509157577381
Energy: 0.46401623357850547
Energy: 0.7167510459652093
Energy: 0.5414843533182709
Energy: 0.7818280601597642
Energy: 0.5414843533260398
Energy: 0.532159734494509
Energy: 0.5797905858933847
Energy: 0.5680991667971496
Energy: 0.5797905858954565
Energy: 0.7204005786614158
Energy: 0.5795932567131362
Energy: 0.4592365253923401
Energy: 0.5795932567141722
Energy: 0.8036747228334264
Energy: 0.46306545148270184
Energy: 0.6232840160318993
Energy: 0.4630654514837377
Energy: 0.8075962131109602
Energy: 0.4631520616930037
Energy: 0.5387291763851743
Energy: 0.4631520616935217
Energy: 0.7513938160862192
Energy: 0.4622145892060896
Energy: 0.46405317847012956
Energy: 0.4622145892060896
Energy: 0.6364302738710407
Energy: 0.4630001473594558
Energy: 0.469319557217144
Energy: 0.4630001473594558
Energy: 0.7675343310684845
Energy: 0.6416694205560246
Energy: 0.7480891349978652
Energy: 0.6416694205570603
Energy: 0.5729330382708874
Energy: 0.46269382903170153
Energy: 0.6858216994313145
Energy: 0.462693829028076
Energy: 0.46458065189936565
Energy: 0.4622985589182734
Energy: 0.747252088072057
Energy: 0.46229855892138094
Energy: 0.4628746256164259
Energy: 0.46290839868338396
Energy: 0.8364069549618768
Energy: 0.46290839868183015
Energy: 0.6239793452157633
Energy: 0.5541569377450211
Energy: 0.7615387383201464
Energy: 0.5541569377460569
Energy: 0.5551690526895212
Energy: 0.46346384545453456
Energy: 0.7892168944286774
Energy: 0.4634638454281203
Energy: 0.5539171503290939
Energy: 0.5803669107870019
Energy: 0.6396113609122814
Energy: 0.5803669107859659
Energy: 0.7573939903366468
Energy: 0.5813418302845983
Energy: 0.637271172235906
Energy: 0.5813418302830445
Energy: 0.7035599139739067
Energy: 0.6292138388593463
Energy: 0.7234520744621846
Energy: 0.6292138388593463
Energy: 0.8038579381911454
Energy: 0.4638900097303148
Energy: 0.48800027642977434
Energy: 0.4638900097303148
Energy: 0.7275494106420721
Energy: 0.46317351273226126
Energy: 0.4656624093213691
Energy: 0.46317351273329715
Energy: 0.7619674205867525
Energy: 0.4645495660325259
Energy: 0.4861619885620558
Energy: 0.464549566030972
Energy: 0.7226006211142897
Energy: 0.5426741116822531
Energy: 0.7069989307433305
Energy: 0.5426741116895041
Energy: 0.5604970968697864
Energy: 0.5792869698225497
Energy: 0.5346093760559076
Energy: 0.5792869698230677
Energy: 0.46030322623170045
Energy: 0.46365335141911607
Energy: 0.7487109786364314
Energy: 0.463653351419634
Energy: 0.6225251455178406
Energy: 0.4629740946861225
Energy: 0.8060972865207277
Energy: 0.4629740946871584
Energy: 0.5387062990666542
Energy: 0.4629925807318416
Energy: 0.806307825475465
Energy: 0.4629925807302878
Energy: 0.46207738943460214
Energy: 0.46194792646007066
Energy: 0.7487361703770757
Energy: 0.46194792646007066
Energy: 0.47085557534878053
Energy: 0.46307719136145803
Energy: 0.6080213421323348
Energy: 0.4630771913609401
Energy: 0.7470903338488516
Energy: 0.6413001494710634
Energy: 0.7667490935045641
Energy: 0.6413001494793503
Energy: 0.6835768259115441
Energy: 0.4636362077115727
Energy: 0.46314800512209214
Energy: 0.4636362077115727
Energy: 0.747669237511342
Energy: 0.46273781553976545
Energy: 0.46281797550996945
Energy: 0.46273781553976545
Energy: 0.8383057668420537
Energy: 0.46298251662215617
Energy: 0.46313097202942355
Energy: 0.4629825166200845

minimum gb energy = 0.4592365253923401 eV
minimum distance =  2.62979534623162 Angstroms
sigma value = 89


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

Energy: 0.8014916667847274
Energy: 0.4516695363233574
Energy: 0.4237267341125706
Energy: 0.4207526072252576
Energy: 0.7869093056062876
Energy: 0.6449288853991921
Energy: 0.6117688737327139
Energy: 0.6449288853991921
Energy: 0.41243910954400353
Energy: 0.4648122111123583
Energy: 0.6078916263740602
Energy: 0.4648122111110032
Energy: 0.415333688222983
Energy: 0.46409656824514917
Energy: 0.6117587728945754
Energy: 0.46409656824514917
Energy: 0.6109200725285651
Energy: 0.4216594019173418
Energy: 0.6012375702349574
Energy: 0.4216594019173418
Energy: 0.42040242666588923
Energy: 0.4214432976638666
Energy: 0.6014488231597557
Energy: 0.42144329766522176
Energy: 0.4208883238010746
Energy: 0.4202052745468499
Energy: 0.8012211228632355
Energy: 0.4202052745468499
Energy: 0.4206868973095872
Energy: 0.42206142676328684
Energy: 0.7845530938473914
Energy: 0.42206142676193165
Energy: 0.6018591841414423
Energy: 0.420552699469458
Energy: 0.7854597518558436
Energy: 0.420552699469458
Energy: 0.6076127895093104
Energy: 0.46406716694238703
Energy: 0.6083656558673411
Energy: 0.46406716694238703
Energy: 0.6059876857212294
Energy: 0.4642609316627695
Energy: 0.41214534772022055
Energy: 0.4642609316627695
Energy: 0.6019624044387032
Energy: 0.4212536117020323
Energy: 0.6107494733461677
Energy: 0.4212536117020323
Energy: 0.601502942091004
Energy: 0.42223501438187216
Energy: 0.42055866925749014
Energy: 0.42223501438051697
Energy: 0.8004519663895808
Energy: 0.4201126785531383
Energy: 0.42007737819903007
Energy: 0.4201126785531383
Energy: 0.7858054889240756
Energy: 0.42153965321725556
Energy: 0.42296564393291874
Energy: 0.4215396532159004

minimum gb energy = 0.41214534772022055 eV
minimum distance =  2.65912152761261 Angstroms
sigma value = 13


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

Energy: 0.7200818635278124
Energy: 0.46681966233693156
Energy: 0.42912352083104865
Energy: 0.42419106575174537
Energy: 0.7836648444669001
Energy: 0.42812007566384175
Energy: 0.49687223453131385
Energy: 0.4281200756752017
Energy: 0.7296773676096482
Energy: 0.5469849499284429
Energy: 0.4946332152767618
Energy: 0.5469849499295789
Energy: 0.5574771255224246
Energy: 0.6400290077886908
Energy: 0.6509286861948169
Energy: 0.6400290078000249
Energy: 0.7325335678328226
Energy: 0.753013090999313
Energy: 0.664520449800524
Energy: 0.753013090995337
Energy: 0.5205605199132352
Energy: 0.547469031029247
Energy: 0.6657703230872914
Energy: 0.547469031029815
Energy: 0.5176474105057529
Energy: 0.4274531692873123
Energy: 0.8150338953569752
Energy: 0.4274531694763788
Energy: 0.49089358721975224
Energy: 0.4925740014540586
Energy: 0.7765998940663525
Energy: 0.4925740014495146
Energy: 0.42528352741830205
Energy: 0.4254446679690939
Energy: 0.8492610403078819
Energy: 0.42544466796795793
Energy: 0.42741460056648883
Energy: 0.42490902875197334
Energy: 0.8038176833638897
Energy: 0.42490902875992537
Energy: 0.4247863618260084
Energy: 0.4255815920646653
Energy: 0.7212963562709801
Energy: 0.42558159205728124
Energy: 0.6681320757557468
Energy: 0.7358576466132644
Energy: 0.8036308764792873
Energy: 0.7358576466144003
Energy: 0.6666496710974951
Energy: 0.667529697552906
Energy: 0.650255919973107
Energy: 0.6675296975608322
Energy: 0.7497420195137954
Energy: 0.5724810715930394
Energy: 0.5597384917682888
Energy: 0.5724810715981513
Energy: 0.776000265769102
Energy: 0.42496138510664105
Energy: 0.6459312478342131
Energy: 0.42496138510720904
Energy: 0.7740904784524892
Energy: 0.4254802731098283
Energy: 0.42615361868732315
Energy: 0.4254802731121003
Energy: 0.8071167056957783
Energy: 0.42496660699314875
Energy: 0.42776478875465535
Energy: 0.42496660698122085
Energy: 0.7224077901992713
Energy: 0.42620384218170837
Energy: 0.4248014343590047
Energy: 0.42620384219872254
Energy: 0.817175640403701
Energy: 0.42485490796148995
Energy: 0.4920955782755679
Energy: 0.424854907966034
Energy: 0.7788549159570698
Energy: 0.546924986311008
Energy: 0.4912962188982468
Energy: 0.5469249863149841
Energy: 0.5554891231206749
Energy: 0.547390898880135
Energy: 0.49180319750159546
Energy: 0.547390898879567
Energy: 0.776999104259566
Energy: 0.8060557574435792
Energy: 0.6656266914697961
Energy: 0.8060557574458512
Energy: 0.4951207369497054
Energy: 0.547640639390883
Energy: 0.6631123035868992
Energy: 0.5476406393954271
Energy: 0.42281168492650223
Energy: 0.42683997785426214
Energy: 0.804180449912435
Energy: 0.42683997779351196
Energy: 0.4945138033841521
Energy: 0.42511878842525075
Energy: 0.7740426778748123
Energy: 0.4251187884286587
Energy: 0.4249979511727173
Energy: 0.4259952726357336
Energy: 0.7728006953027944
Energy: 0.4259952726289176
Energy: 0.4250800022247171
Energy: 0.4245499365853748
Energy: 0.8031888800728504
Energy: 0.42454993658480683
Energy: 0.42493862442448
Energy: 0.4258262007955662
Energy: 0.7288986539176183
Energy: 0.4258262007955662
Energy: 0.671249297425442
Energy: 0.7373013320010314
Energy: 0.8185815886104107
Energy: 0.7373013319976235
Energy: 0.48967538460136356
Energy: 0.6698712008859888
Energy: 0.6514185464315169
Energy: 0.6698712008893969
Energy: 0.6765728949609111
Energy: 0.674112945069633
Energy: 0.5567868855469237
Energy: 0.6741129450684971
Energy: 0.7742089405663657
Energy: 0.4246367011552655
Energy: 0.648903525190952
Energy: 0.4246367011620814
Energy: 0.7768013259144709
Energy: 0.42648416630654373
Energy: 0.42526311257161137
Energy: 0.42648416631108776
Energy: 0.8046583532538251
Energy: 0.4248748742069545
Energy: 0.42498576291968104
Energy: 0.4248748742035466
Energy: 0.8244631215354488
Energy: 0.42601964375786516
Energy: 0.4254871796340675
Energy: 0.42601964376297713

minimum gb energy = 0.42281168492650223 eV
minimum distance =  2.63455504019353 Angstroms
sigma value = 37


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

Energy: 0.6990597411895175
Energy: 0.45505657232584296
Energy: 0.4068284998600547
Energy: 0.40669294066568645
Energy: 0.8453132401731299
Energy: 0.40784507473187037
Energy: 0.5442793442031509
Energy: 0.40784507473284765
Energy: 0.7105661252421989
Energy: 0.5754089324426924
Energy: 0.5439750012359266
Energy: 0.5754089324426924
Energy: 0.6942891493652416
Energy: 0.6642866960366123
Energy: 0.6771660849628265
Energy: 0.664286696034658
Energy: 0.723090412656732
Energy: 0.546930150245208
Energy: 0.5657106585519899
Energy: 0.5469301502295947
Energy: 0.4494665662711016
Energy: 0.5410205570167004
Energy: 0.666817038871513
Energy: 0.5410205570176776
Energy: 0.4492094395883706
Energy: 0.5365098968903065
Energy: 0.7837274577613231
Energy: 0.5365098968903065
Energy: 0.5241652932829448
Energy: 0.5380813782570345
Energy: 0.7755567897580673
Energy: 0.5380813782560573
Energy: 0.4514377293765377
Energy: 0.520174867860976
Energy: 0.7775224729642305
Energy: 0.5201748678599988
Energy: 0.4642290357992086
Energy: 0.39230132621238206
Energy: 0.8096835613446016
Energy: 0.3923013262153137
Energy: 0.5284236255431192
Energy: 0.5779387237695979
Energy: 0.6232273717769623
Energy: 0.5779387237695979
Energy: 0.602327394992371
Energy: 0.3910542579038095
Energy: 0.8097455884046375
Energy: 0.39105425790283227
Energy: 0.5901604281986416
Energy: 0.6727108467101639
Energy: 0.7104428676054015
Energy: 0.6727108467101639
Energy: 0.6874359201637551
Energy: 0.5493713476243074
Energy: 0.6929321478142199
Energy: 0.5493713476243074
Energy: 0.5657106585519899
Energy: 0.5496187763215051
Energy: 0.7144142457754821
Energy: 0.5496187763195508
Energy: 0.6668170388695585
Energy: 0.5477022706504046
Energy: 0.4491559294497898
Energy: 0.547702270652359
Energy: 0.7840589032449373
Energy: 0.550927296453659
Energy: 0.44909712530812934
Energy: 0.5509272964526818
Energy: 0.7755567897580673
Energy: 0.4724135604652923
Energy: 0.5404352119767007
Energy: 0.4724135604652923
Energy: 0.7775224729652076
Energy: 0.4074171156312802
Energy: 0.40748706848201577
Energy: 0.407417115630303
Energy: 0.8452517883124365
Energy: 0.40730131410648757
Energy: 0.40708725990943184
Energy: 0.40730131410844206

minimum gb energy = 0.39105425790283227 eV
minimum distance =  2.63634577816574 Angstroms
sigma value = 25


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

Energy: 0.8059960848448184
Energy: 0.4167254712633937
Energy: 0.37418147763702864
Energy: 0.37404369978524377
Energy: 0.8503992536698335
Energy: 0.3742672089750843
Energy: 0.459525378320686
Energy: 0.3742672089804259
Energy: 0.7349977753125513
Energy: 0.5168168322923267
Energy: 0.4630236578723783
Energy: 0.5168168322923267
Energy: 0.5885634757182379
Energy: 0.5848135698504653
Energy: 0.6363757069936029
Energy: 0.5848135698466499
Energy: 0.7510729046823191
Energy: 0.5443923082119364
Energy: 0.6468227994320318
Energy: 0.5443923082119364
Energy: 0.5921026502773695
Energy: 0.6442167421766565
Energy: 0.6464519204612567
Energy: 0.6442167421751303
Energy: 0.5889486292275738
Energy: 0.48225619803326564
Energy: 0.7724154061823143
Energy: 0.48225619803021325
Energy: 0.6425372472220507
Energy: 0.48241622921749006
Energy: 0.6745776168289976
Energy: 0.48241622921749006
Energy: 0.4673868834450301
Energy: 0.47630770903290304
Energy: 0.7703116368824023
Energy: 0.47630770903442915
Energy: 0.46797868117255276
Energy: 0.4743476574148253
Energy: 0.8063999928979563
Energy: 0.4743476574132992
Energy: 0.4114313845781292
Energy: 0.46014158509727093
Energy: 0.6920361664817787
Energy: 0.4601415850957448
Energy: 0.41055772799187656
Energy: 0.45894928142920693
Energy: 0.8063616542252895
Energy: 0.45894928142997
Energy: 0.4119105268385915
Energy: 0.3673057103473743
Energy: 0.8211363483653376
Energy: 0.3673057103481374
Energy: 0.4974528251247547
Energy: 0.3678535305543349
Energy: 0.7045557436247892
Energy: 0.36785353055967646
Energy: 0.4983082061994773
Energy: 0.36744658479124326
Energy: 0.8223074012252866
Energy: 0.36744658478971715
Energy: 0.4956182778032919
Energy: 0.5935420317420161
Energy: 0.7359000281383409
Energy: 0.5935420317420161
Energy: 0.6344365676615205
Energy: 0.630998713337746
Energy: 0.7387935889490999
Energy: 0.6309987133392723
Energy: 0.49392168199308745
Energy: 0.6309648827819379
Energy: 0.7486345223070219
Energy: 0.6309648827819379
Energy: 0.6365581122901645
Energy: 0.612348776028949
Energy: 0.5893319574922221
Energy: 0.6123487760312382
Energy: 0.7727111445233978
Energy: 0.49165852869789256
Energy: 0.5908856984779378
Energy: 0.49165852869560334
Energy: 0.693736144043232
Energy: 0.5254486175153844
Energy: 0.46031257367326667
Energy: 0.5254486175138582
Energy: 0.7676405533585804
Energy: 0.514421053320076
Energy: 0.41129505643772857
Energy: 0.5144210533208391
Energy: 0.7913909320149956
Energy: 0.37440015323460846
Energy: 0.4738567853500051
Energy: 0.37440015323537157
Energy: 0.6905226482132041
Energy: 0.37604485601892845
Energy: 0.3747690473786921
Energy: 0.3760448560204546
Energy: 0.8340548024056381
Energy: 0.37463896247547007
Energy: 0.37644103927000155
Energy: 0.37463896247699624
Energy: 0.7345498094716506
Energy: 0.3754867600981573
Energy: 0.3743434816408593
Energy: 0.3754867600973941

minimum gb energy = 0.3673057103473743 eV
minimum distance =  2.63677727130429 Angstroms
sigma value = 41


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

Energy: 0.8156043069030591
Energy: 0.37936919978930717
Energy: 0.345346086298324
Energy: 0.3454921877464042
Energy: 0.8261552284127038
Energy: 0.34462853173944197
Energy: 0.41658133301115036
Energy: 0.34462853173631397
Energy: 0.7227687421318458
Energy: 0.464658076802709
Energy: 0.4152664933223249
Energy: 0.464658076802709
Energy: 0.6392805352398415
Energy: 0.4903234495966078
Energy: 0.5568723991795518
Energy: 0.49032344959848456
Energy: 0.7336233188397926
Energy: 0.49143547196749027
Energy: 0.5555239217982763
Energy: 0.49143547196936704
Energy: 0.6273739942133268
Energy: 0.5947630602295179
Energy: 0.5582760031117465
Energy: 0.5947630602288921
Energy: 0.6298914311537633
Energy: 0.6258107413284775
Energy: 0.6819647135574183
Energy: 0.6258107413278519
Energy: 0.6784822122140006
Energy: 0.6237495229214688
Energy: 0.5580739210803254
Energy: 0.6237495229214688
Energy: 0.48052710904357493
Energy: 0.5955634012841433
Energy: 0.6772107825190091
Energy: 0.5955634012847688
Energy: 0.48271515356434025
Energy: 0.49111216370583877
Energy: 0.776622601939139
Energy: 0.49111216370583877
Energy: 0.41138186830906875
Energy: 0.4904545326405054
Energy: 0.7283524944973766
Energy: 0.490454532638003
Energy: 0.4120832358038952
Energy: 0.46540898063948716
Energy: 0.7770375775567149
Energy: 0.4654089806407384
Energy: 0.4123826076986914
Energy: 0.3453755496205218
Energy: 0.7746531546356813
Energy: 0.34537554962302425
Energy: 0.34558451102644905
Energy: 0.34643936990245733
Energy: 0.6797619807984603
Energy: 0.34643936990058055
Energy: 0.3468872788012822
Energy: 0.3453287945107813
Energy: 0.8353433791096858
Energy: 0.3453287945120325
Energy: 0.34548095285831637
Energy: 0.3464186774062955
Energy: 0.7229674081969767
Energy: 0.34641867740566995
Energy: 0.4130734970314095
Energy: 0.3451609440494359
Energy: 0.7277382231392484
Energy: 0.3451609440625736
Energy: 0.4110461152179623
Energy: 0.3448447659662488
Energy: 0.7819184647722308
Energy: 0.34484476593997343
Energy: 0.410284577763108
Energy: 0.4651535252860644
Energy: 0.628105260707686
Energy: 0.4651535252860644
Energy: 0.5567739062744479
Energy: 0.49106372632997425
Energy: 0.6267915880110168
Energy: 0.49106372632622064
Energy: 0.5585887563631318
Energy: 0.5981088151176164
Energy: 0.6824906413508688
Energy: 0.5981088151163652
Energy: 0.5573641901737126
Energy: 0.5948225650137458
Energy: 0.6321947019063244
Energy: 0.5948225650137458
Energy: 0.6767798544995736
Energy: 0.6235240588408137
Energy: 0.6282369381000613
Energy: 0.6235240588408137
Energy: 0.5587745973770362
Energy: 0.5943733712563779
Energy: 0.5562136238620073
Energy: 0.5943733712563779
Energy: 0.6820475545990695
Energy: 0.5971820844171897
Energy: 0.4751283084973728
Energy: 0.5971820844159386
Energy: 0.6755458877697387
Energy: 0.491340254099903
Energy: 0.5566893642688081
Energy: 0.4913402541005287
Energy: 0.6784439566826129
Energy: 0.46533862144282384
Energy: 0.41240270278057756
Energy: 0.4653386214434494
Energy: 0.7810722654818366
Energy: 0.46619577716815
Energy: 0.412291566519473
Energy: 0.46619577716815
Energy: 0.6774887120442681
Energy: 0.34595828553062413
Energy: 0.41115769494815013
Energy: 0.34595828553062413
Energy: 0.6754213135523668
Energy: 0.34619335090541703
Energy: 0.3451973766356267
Energy: 0.3461933509047914
Energy: 0.8326645437487763
Energy: 0.3453840179127319
Energy: 0.34634688873765324
Energy: 0.34538401791398304
Energy: 0.7288394554124576
Energy: 0.3460100249349543
Energy: 0.3455462185009698
Energy: 0.34601002493808236

minimum gb energy = 0.34462853173631397 eV
minimum distance =  2.63372127548216 Angstroms
sigma value = 15


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

Energy: 0.708604686619689
Energy: 0.36176678432256804
Energy: 0.32485705619259175
Energy: 0.3248069762714669
Energy: 0.8294912710465602
Energy: 0.325333019699357
Energy: 0.3859829743400319
Energy: 0.32533301969882705
Energy: 0.7370524449868481
Energy: 0.4268747611180601
Energy: 0.38441735198999605
Energy: 0.42687476111488026
Energy: 0.6546962626659057
Energy: 0.4511060820208688
Energy: 0.5144484657712052
Energy: 0.4511060820208688
Energy: 0.7452124430095904
Energy: 0.45202789390380876
Energy: 0.5037213207710524
Energy: 0.452027893899569
Energy: 0.6487453384600435
Energy: 0.5474472760451374
Energy: 0.5087879259943106
Energy: 0.5474472760456675
Energy: 0.5681247898289754
Energy: 0.5775344128640176
Energy: 0.6185384483628549
Energy: 0.5775344128634877
Energy: 0.6608521637634003
Energy: 0.5774374047789923
Energy: 0.5000324364302187
Energy: 0.5774374047789923
Energy: 0.5671559584177472
Energy: 0.5619950015201196
Energy: 0.610695134302878
Energy: 0.5619950015195896
Energy: 0.5669387819153642
Energy: 0.5734825268372052
Energy: 0.6956140296803873
Energy: 0.5734825268393252
Energy: 0.5027528024527634
Energy: 0.5725425898979746
Energy: 0.6378257537231184
Energy: 0.5725425898985045
Energy: 0.43377721946449077
Energy: 0.5470831319478076
Energy: 0.69618552899792
Energy: 0.5470831319483377
Energy: 0.5082514762535421
Energy: 0.4518015042794548
Energy: 0.6929541399089182
Energy: 0.45180150427998483
Energy: 0.37939791369549336
Energy: 0.451811657198702
Energy: 0.6120783985082584
Energy: 0.45181165720771155
Energy: 0.37929845662046263
Energy: 0.4277193032422546
Energy: 0.7871666723180314
Energy: 0.4277193032427846
Energy: 0.3792219921212364
Energy: 0.32519380733036635
Energy: 0.6933710229491141
Energy: 0.3251938073346061
Energy: 0.3251989790772694
Energy: 0.325929474192499
Energy: 0.6974070801828389
Energy: 0.32592947419143903
Energy: 0.32405018758883836
Energy: 0.32365978813475393
Energy: 0.8353859437242
Energy: 0.323659788133164
Energy: 0.3245157062293805
Energy: 0.32538773576447205
Energy: 0.6506052476990133
Energy: 0.325387735765002
Energy: 0.37768497155792
Energy: 0.32621315681878094
Energy: 0.7392937639817729
Energy: 0.32621315681189134
Energy: 0.3767637644983284
Energy: 0.42696378300149507
Energy: 0.7895597625140931
Energy: 0.426963783003085
Energy: 0.3775974589440605
Energy: 0.4274312671104468
Energy: 0.6541893245090388
Energy: 0.4274312671104468
Energy: 0.5065920805705028
Energy: 0.451816952480138
Energy: 0.6485505956245594
Energy: 0.45181695248066794
Energy: 0.503151167897831
Energy: 0.5473959571588645
Energy: 0.6991797018622319
Energy: 0.5473959571599245
Energy: 0.5035471305942818
Energy: 0.5644716552449845
Energy: 0.5670214448622699
Energy: 0.5644716552460445
Energy: 0.6087757153123196
Energy: 0.5728733048331088
Energy: 0.6964815665639275
Energy: 0.5728733048336389
Energy: 0.5027442807111826
Energy: 0.5628977976144384
Energy: 0.6134619197556108
Energy: 0.5628977976149683
Energy: 0.6603113095895424
Energy: 0.5787459474232985
Energy: 0.5695940824838941
Energy: 0.5787459474222386
Energy: 0.609417853153108
Energy: 0.5777861310937383
Energy: 0.6150867676844479
Energy: 0.5777861310937383
Energy: 0.6079996309863183
Energy: 0.5487914743185177
Energy: 0.5095365487387583
Energy: 0.5487914743169279
Energy: 0.7876728481422623
Energy: 0.45229934504588387
Energy: 0.4335479355029969
Energy: 0.45229934504795555
Energy: 0.6127808460530914
Energy: 0.4516214803646179
Energy: 0.5113623369564313
Energy: 0.4516214803587882
Energy: 0.692915388716631
Energy: 0.42786826328249256
Energy: 0.38307059945637895
Energy: 0.4278682632751211
Energy: 0.8394074479065202
Energy: 0.32500785682910005
Energy: 0.3817413278500853
Energy: 0.3250078568301599
Energy: 0.7042945082185865
Energy: 0.3247982829068604
Energy: 0.3812487952165766
Energy: 0.32479828312564335
Energy: 0.7831351361444884
Energy: 0.3242957964320484
Energy: 0.3288753658677675
Energy: 0.3242957964320484
Energy: 0.7363306267294133
Energy: 0.3243931526184097
Energy: 0.33012417289394486
Energy: 0.3243931526146998

minimum gb energy = 0.323659788133164 eV
minimum distance =  2.62920351376784 Angstroms
sigma value = 85


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

Energy: 0.7780116538404263
Energy: 0.35309749371150007
Energy: 0.29504202033453586
Energy: 0.29542305336468205
Energy: 0.8282338213937135
Energy: 0.2951184444604183
Energy: 0.34091259686641445
Energy: 0.2951184444594989
Energy: 0.6763807854223024
Energy: 0.38649445518299685
Energy: 0.3410443535697236
Energy: 0.3864944551843758
Energy: 0.5981194133871287
Energy: 0.4086085814961618
Energy: 0.4506609038057484
Energy: 0.40860858149478285
Energy: 0.7700050427885852
Energy: 0.40849979536989794
Energy: 0.4509113317690919
Energy: 0.4084997953694383
Energy: 0.5985203424727188
Energy: 0.4893377710120983
Energy: 0.4514305877475687
Energy: 0.4893377710102597
Energy: 0.6013216699276442
Energy: 0.5160101840503086
Energy: 0.5461392631961698
Energy: 0.5160101840507683
Energy: 0.6989529861952677
Energy: 0.5158615623142366
Energy: 0.4734622599289819
Energy: 0.5158615623165348
Energy: 0.6012337203478805
Energy: 0.510590937395696
Energy: 0.547724124994321
Energy: 0.5105909373952362
Energy: 0.6007495704782777
Energy: 0.5224701211170288
Energy: 0.6236976906378865
Energy: 0.5224701211161096
Energy: 0.54788528632008
Energy: 0.5093250150806209
Energy: 0.5917549694668269
Energy: 0.5093250150810805
Energy: 0.528143877289753
Energy: 0.509676893568849
Energy: 0.621566877112131
Energy: 0.5096768935683893
Energy: 0.5485262507128849
Energy: 0.5149287284886245
Energy: 0.638315859393494
Energy: 0.5149287284909227
Energy: 0.4393047992971551
Energy: 0.48503085600442675
Energy: 0.5630533807596787
Energy: 0.4850308560021285
Energy: 0.41490819344864066
Energy: 0.4848860445592181
Energy: 0.7011902485947142
Energy: 0.48488604455967765
Energy: 0.4390076555242259
Energy: 0.3607181387352598
Energy: 0.6367900146380385
Energy: 0.3607181387352598
Energy: 0.35060700763756697
Energy: 0.35582719383951955
Energy: 0.6362953267252477
Energy: 0.355827193836302
Energy: 0.34647177074131996
Energy: 0.35553793519207205
Energy: 0.7836119952646512
Energy: 0.35553793519482996
Energy: 0.3509103404623078
Energy: 0.35569614605360206
Energy: 0.7156480022045459
Energy: 0.3556961460554406
Energy: 0.31696115783930917
Energy: 0.34438302118574066
Energy: 0.7180942301146128
Energy: 0.3443830211862003
Energy: 0.31752633245088785
Energy: 0.2935670582834521
Energy: 0.80996769316599
Energy: 0.29356705828437135
Energy: 0.31922698461145566
Energy: 0.29368503798524304
Energy: 0.654718691989439
Energy: 0.2936850379870816
Energy: 0.3629484407345003
Energy: 0.29372427305299076
Energy: 0.7379295699886431
Energy: 0.2937242730520715
Energy: 0.36555517977485463
Energy: 0.4314206705658077
Energy: 0.7674036782635324
Energy: 0.4314206705685446
Energy: 0.3636156229014425
Energy: 0.4323472216246475
Energy: 0.5985857731160158
Energy: 0.43234722162602646
Energy: 0.45989158935397945
Energy: 0.4619566891195012
Energy: 0.760311576672748
Energy: 0.4619566891204205
Energy: 0.4584914514564326
Energy: 0.4604125602056218
Energy: 0.6793226990666585
Energy: 0.4604125602028639
Energy: 0.5365344051042332
Energy: 0.4730456837849534
Energy: 0.5986848722518507
Energy: 0.4730456837812762
Energy: 0.5367635161796126
Energy: 0.474520261697292
Energy: 0.7020499651304946
Energy: 0.474520261697292
Energy: 0.5379684932931532
Energy: 0.5064478927649055
Energy: 0.6004003381355412
Energy: 0.5064478927607686
Energy: 0.622483256158969
Energy: 0.5205436878321733
Energy: 0.5250341490517962
Energy: 0.5205436878335523
Energy: 0.5618777237012581
Energy: 0.5202738216331717
Energy: 0.6208979846940287
Energy: 0.5202738216345507
Energy: 0.6234457657796538
Energy: 0.509478414169596
Energy: 0.526886844366562
Energy: 0.5094784141682172
Energy: 0.7025331393740321
Energy: 0.5159220172966307
Energy: 0.5268089676365996
Energy: 0.5159220172952517
Energy: 0.5896403870875511
Energy: 0.515552714835723
Energy: 0.5640778424506987
Energy: 0.5155527148375615
Energy: 0.7024646939470626
Energy: 0.4889889700586276
Energy: 0.4501225014957342
Energy: 0.48898897006092584
Energy: 0.717727018346144
Energy: 0.40853354797751434
Energy: 0.45128403908184794
Energy: 0.4085335479788933
Energy: 0.6364315348767193
Energy: 0.39739351928374145
Energy: 0.34090611504122625
Energy: 0.3973935192814432
Energy: 0.7849212978481348
Energy: 0.38613549990839185
Energy: 0.34217415088245645
Energy: 0.3861354999065533
Energy: 0.7168672281665338
Energy: 0.29527580472647535
Energy: 0.34127443658876566
Energy: 0.29527580472463677
Energy: 0.6355170854908476
Energy: 0.2968468415245951
Energy: 0.2953278002451991
Energy: 0.2968468415264129
Energy: 0.8282234825754379
Energy: 0.2954472644474663
Energy: 0.29571607587162657
Energy: 0.2954472644460873
Energy: 0.6773730898177073
Energy: 0.2961769215270037
Energy: 0.29529724879018515
Energy: 0.296176921527923

minimum gb energy = 0.2935670582834521 eV
minimum distance =  2.6297343994357 Angstroms
sigma value = 113


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

Energy: 0.011682383229326916
Energy: 0.012045926614425493
Energy: 0.815402476902972
Energy: 0.5103209329273912
Energy: 0.01240669020374405
Energy: 0.06174728303906637
Energy: 0.3669622768762653
Energy: 0.06174728303941972
Energy: 0.012524982557020087
Energy: 0.061572726891928296
Energy: 0.36519266282764845
Energy: 0.061572726891928296
Energy: 0.013117499320980202
Energy: 0.06098292420274601
Energy: 0.3665203402857774
Energy: 0.06098292420309936
Energy: 0.3668916918379409
Energy: 0.061211230568000874
Energy: 0.36915856099430633
Energy: 0.06121123056696045
Energy: 0.012003363245050726
Energy: 0.06145240046774131
Energy: 0.3651828523212302
Energy: 0.06145240046738796

minimum gb energy = 0.011682383229326916 eV
minimum distance =  2.82648817062104 Angstroms
sigma value = 1