Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.249087345222446e-19, 1.7906406714574198e-19, 2.22495871340214e-19, 2.59003068122538e-19, 2.89389950162982e-19, 3.1467870615403797e-19, 3.3674548493411997e-19, 3.5623596368673e-19, 3.73893552370044e-19, 3.9127556667230996e-19, 4.08008699437806e-19, 4.2378212839953596e-19, 4.38438840247368e-19, 4.5190994138604e-19, 4.64171399166042e-19, 4.75223213587374e-19, 4.85084610769644e-19, 4.936995145306619e-19, 5.0056804576062e-19, 5.05781528527656e-19, 5.0952421314468e-19, 5.1193548897885e-19, 5.13271704291606e-19, 5.137139050425899e-19, 5.1322363899258595e-19, 5.11610247122148e-19, 5.08630198582908e-19, 5.03991897227478e-19, 4.9734767072628e-19, 4.88274544447938e-19, 4.762630262228399e-19, 4.60693073693628e-19, 4.4079884642925e-19, 4.15641468922182e-19, 3.8405295440623796e-19, 3.44961446713272e-19, 2.9674714526631e-19, 2.3706446347317597e-19, 1.62894900555414e-19, 7.03671171122898e-20, -4.5539467556499e-20, -1.9129508356969798e-19, -3.7527943515845395e-19, -6.120074415384899e-19, -9.18697694995404e-19, -1.31505857030403e-18, -1.8269299722175198e-18, -2.50466671016586e-18, -3.4193653722827997e-18, -4.6991039586903e-18, -6.52263731644374e-18, -1.431234000212004e-17, -3.652161637203e-16]
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: 0.010794173095820953
Energy: 0.30012155201130725
Energy: 0.01126281492665707
Energy: 0.012873393896994897
Energy: 0.29968640949262965
Energy: 0.01121140423526691
Energy: 0.3001215520110335
Energy: 0.07065824650098596
Energy: 0.07047730511604916
Energy: 0.0705189744607446
Energy: 0.07031733860535684
Energy: 0.07059480947647474
Energy: 0.011262814926930806
Energy: 0.07047730511711367
Energy: 0.07054286427315458
Energy: 0.011705179231738748
Energy: 0.07037019233054778
Energy: 0.07044024035013437
Energy: 0.01287339389647784
Energy: 0.07051897446101835
Energy: 0.011705179233077009
Energy: 0.0110879663273269
Energy: 0.07032312439837267
Energy: 0.011260385979947506
Energy: 0.2996864094918389
Energy: 0.07031733860721216
Energy: 0.07037019233106484
Energy: 0.07032312439998467
Energy: 0.07032823529717017
Energy: 0.07030637284813601
Energy: 0.01121140423526691
Energy: 0.07059480947647474
Energy: 0.07044024034906983
Energy: 0.011260385979156715
Energy: 0.07030637284999133
Energy: 0.011486685396165134

minimum gb energy = 0.010794173095820953 eV
minimum distance =  2.72928591208745 Angstroms
sigma value = 1


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

Energy: 0.9968598631093243
Energy: 0.7031771404110743
Energy: 0.723635066032401
Energy: 0.6613781557253604
Energy: 0.7067788087803615
Energy: 0.712802602546248
Energy: 0.9175595035034124
Energy: 0.7048675423285474
Energy: 0.704884187441772
Energy: 0.7085443639596255
Energy: 0.704856896288232
Energy: 0.7159786750650107
Energy: 0.9335409803398629
Energy: 0.7047966666663827
Energy: 0.7049955593734966
Energy: 0.7088500804598514
Energy: 0.7048260094998681
Energy: 0.6846592858552657
Energy: 0.9992302053235824
Energy: 0.6730420070742387
Energy: 0.6974200893208568
Energy: 0.7038992340829586
Energy: 0.6853506304870858
Energy: 0.6991924825369487
Energy: 0.9198926851229412
Energy: 0.7111486806733619
Energy: 0.7106872851492879
Energy: 0.6664499680184621
Energy: 0.7122916120990138
Energy: 0.7112574010476121
Energy: 0.9108951115951676
Energy: 0.710707744131717
Energy: 0.7102124598110116
Energy: 0.7030776012517564
Energy: 0.7119087148257374
Energy: 0.7053821160454453
Energy: 0.9114906187709017
Energy: 0.7065555435549803
Energy: 0.7074341082818865
Energy: 0.7040204423017795
Energy: 0.6631006543381516
Energy: 0.7031988958579565
Energy: 0.8635405543929205
Energy: 0.7034805158042539
Energy: 0.7090608544571659
Energy: 0.6596368165282843
Energy: 0.7036419124348555
Energy: 0.7053984883923428
Energy: 0.7556446985399542
Energy: 0.7057987509266649
Energy: 0.7052292073939115
Energy: 0.7115833163634941
Energy: 0.7052665925670207
Energy: 0.7069080953258129
Energy: 0.7537933061258625
Energy: 0.7051114086695839
Energy: 0.7115468050467334
Energy: 0.7111063811243927
Energy: 0.7067247864383206
Energy: 0.7125946861440109
Energy: 0.778555133814682
Energy: 0.6998599786491098
Energy: 0.7005729835588991
Energy: 0.7180275283400147
Energy: 0.7009927414543864
Energy: 0.7207275415557686
Energy: 0.7071986966647709
Energy: 0.7135558102178388
Energy: 0.7005797265076508
Energy: 0.704741788799415
Energy: 0.7090410871371734
Energy: 0.7050388729105276
Energy: 0.7048305951666882
Energy: 0.703764853635261
Energy: 0.7156721398929476
Energy: 0.7048358750336047
Energy: 0.7082305235650551
Energy: 0.7049963606938378
Energy: 0.7629780637556952
Energy: 0.6994675043681918
Energy: 0.7018551471024171
Energy: 0.7009810641726013
Energy: 0.6991044013914078
Energy: 0.6975081952884568
Energy: 0.725601100970412
Energy: 0.7056360089881925
Energy: 0.7258708539944394
Energy: 0.7172417905581141
Energy: 0.6933786795712101
Energy: 0.7142659950050803
Energy: 0.7248977498328854
Energy: 0.6916521187867065
Energy: 0.6961369326014816
Energy: 0.7164274915287888
Energy: 0.7057138480979989
Energy: 0.7111519174566517
Energy: 0.8257035432520289
Energy: 0.7035840862632513
Energy: 0.7039554608394171
Energy: 0.6950496897353292
Energy: 0.7034474877609763
Energy: 0.6948970463161236
Energy: 0.8271631829507381
Energy: 0.7066589474877654
Energy: 0.7062606605223506
Energy: 0.7061386735503226
Energy: 0.6701213574348147
Energy: 0.7061361933715466
Energy: 0.828633398155298
Energy: 0.7077966513299017
Energy: 0.7054817147428729
Energy: 0.7059097489132797
Energy: 0.7062895067904152
Energy: 0.7049902126268148
Energy: 0.8305837316650506
Energy: 0.7077389732623675
Energy: 0.7058926043459234
Energy: 0.706862298897794
Energy: 0.7058578667864452
Energy: 0.7051289735009864
Energy: 0.9519095426430657
Energy: 0.6949404456413113
Energy: 0.7067063928097811
Energy: 0.7005657688938615
Energy: 0.7301068716515846
Energy: 0.7003225435915768
Energy: 0.9551378003563429
Energy: 0.712853175410113
Energy: 0.7114493425772109
Energy: 0.7038856990411534
Energy: 0.7119207219709502
Energy: 0.7043837876639886
Energy: 0.9520598019850123
Energy: 0.6889775740483167
Energy: 0.689872807264249
Energy: 0.7068815636091611
Energy: 0.689508155857269
Energy: 0.7210521085963881

minimum gb energy = 0.6596368165282843 eV
minimum distance =  2.51013006898191 Angstroms
sigma value = 33


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

Energy: 1.193345479913163
Energy: 0.7159340168244339
Energy: 0.6993639029823683
Energy: 0.7000630108510024
Energy: 0.7158765125424218
Energy: 0.7807910523994024
Energy: 0.935888752332709
Energy: 0.7188074431443221
Energy: 0.7098701955145147
Energy: 0.7236961997317769
Energy: 0.7199583864385232
Energy: 0.7184067557778447
Energy: 0.9048214314411139
Energy: 0.7184987179592311
Energy: 0.732809465403861
Energy: 0.7652848751534581
Energy: 0.7185694379458051
Energy: 0.7181047759398534
Energy: 0.9595142407786897
Energy: 0.806609009086856
Energy: 0.7171709893387616
Energy: 0.7496445462045338
Energy: 0.81487999122284
Energy: 0.7485364191028268
Energy: 0.9335757901397543
Energy: 0.7275252054120935
Energy: 0.7199523554218555
Energy: 0.744041314003904
Energy: 0.7197106794693617
Energy: 0.7279032607647904
Energy: 0.9909253736815353
Energy: 0.820625308112687
Energy: 0.8203576661111299
Energy: 0.7069807401694317
Energy: 0.8193622070717056
Energy: 0.8130167365815811
Energy: 0.9890233932591518
Energy: 0.7917670174177804
Energy: 0.8140246199740024
Energy: 0.8121852477185372
Energy: 0.7942953427672286
Energy: 0.813518339892275
Energy: 0.9343370752297694
Energy: 0.7685186149814928
Energy: 0.7699116818443751
Energy: 0.6949485940278584
Energy: 0.7687693082889118
Energy: 0.7695108492917087
Energy: 0.847048303546327
Energy: 0.76639065719961
Energy: 0.8184141256954732
Energy: 0.8170476288001484
Energy: 0.7658240362793195
Energy: 0.8197018198214593
Energy: 0.8443569534544308
Energy: 0.8100407067359189
Energy: 0.8103930856845012
Energy: 0.8178950647458758
Energy: 0.8133197053433545
Energy: 0.808820244306249
Energy: 0.8664401386433177
Energy: 0.678885715637941
Energy: 0.6788793223281874
Energy: 0.7108174165919086
Energy: 0.6791152866812212
Energy: 0.6790070891591579
Energy: 0.8042300292357512
Energy: 0.7192812551909049
Energy: 0.7905775860475095
Energy: 0.8044237097605521
Energy: 0.7209392991449312
Energy: 0.7911030770489885
Energy: 0.8042061915824686
Energy: 0.8111484812536343
Energy: 0.8038371107548832
Energy: 0.8045344641820522
Energy: 0.8181119770806209
Energy: 0.8100161612893292
Energy: 0.8140596996804799
Energy: 0.7485655920921491
Energy: 0.7489688724315687
Energy: 0.8208423271906704
Energy: 0.7492563074264634
Energy: 0.7492382182878532
Energy: 0.8347444399219602
Energy: 0.8126063399018116
Energy: 0.8184205536093921
Energy: 0.8206077530495869
Energy: 0.8118504529197922
Energy: 0.818923121715239
Energy: 0.8355521411819672
Energy: 0.8105718186997704
Energy: 0.8060254944942731
Energy: 0.8177415619646032
Energy: 0.8217902715362421
Energy: 0.8185536351957913
Energy: 0.8426146749726384
Energy: 0.7281011074079153
Energy: 0.7016970893589007
Energy: 0.8239739327662577
Energy: 0.7301746528365692
Energy: 0.7271056158539405
Energy: 0.8571682295383273
Energy: 0.7260239313731135
Energy: 0.8200286286498448
Energy: 0.7674939412296145
Energy: 0.8338525323571055
Energy: 0.7682503650645977
Energy: 0.8498845517327072
Energy: 0.7356594708038975
Energy: 0.7323869063250174
Energy: 0.7662767399985716
Energy: 0.7384071479795533
Energy: 0.7230275099112417
Energy: 0.8721841069064582
Energy: 0.731070559642995
Energy: 0.7319435956812809
Energy: 0.8574764209340077
Energy: 0.7318289191416254
Energy: 0.7134435308656042
Energy: 1.0058933312277694
Energy: 0.6951268988398477
Energy: 0.7515428820459719
Energy: 0.7386793482514233
Energy: 0.7655591280593672
Energy: 0.6796899707064964
Energy: 0.7916787861017731
Energy: 0.7186489326795759
Energy: 0.7188987718858594
Energy: 0.7678641158440096
Energy: 0.7184250162205135
Energy: 0.7256142270525643
Energy: 0.8853757332726879
Energy: 0.7010742542752465
Energy: 0.7185901183040984
Energy: 0.8616539949643929
Energy: 0.7186942247344495
Energy: 0.7174378038991325
Energy: 1.0007075776184602
Energy: 0.7357621500096414
Energy: 0.7185659032788401
Energy: 0.7472352350704123
Energy: 0.7217203256688
Energy: 0.7737026154110106
Energy: 0.8855440921014275
Energy: 0.7196165902431358
Energy: 0.7283174919911228
Energy: 0.7214415482783079
Energy: 0.7191086516782406
Energy: 0.7172016431408357
Energy: 0.7801796152029008
Energy: 0.7329828121768625
Energy: 0.8235923884953965
Energy: 0.8266018370296415
Energy: 0.8215402989608089
Energy: 0.7088645718565234
Energy: 0.9869571327915583
Energy: 0.8187356924192252
Energy: 0.8137865717130986
Energy: 0.8142989708026784
Energy: 0.8080847749396026
Energy: 0.8138320779381646
Energy: 0.8449273468182914
Energy: 0.7670815326086792
Energy: 0.7678658615496375
Energy: 0.8332985502541109
Energy: 0.7670720338279866
Energy: 0.7009519840531666
Energy: 0.8449814172230993
Energy: 0.7670154900239755
Energy: 0.768124896443206
Energy: 0.8187860276234444
Energy: 0.7671782087835012
Energy: 0.823130132782675
Energy: 0.8477578840854522
Energy: 0.8119226440475708
Energy: 0.8099398188093048
Energy: 0.8161459198481461
Energy: 0.8134406595331084
Energy: 0.8092452152590561
Energy: 0.8049143331574601
Energy: 0.6789908945626999
Energy: 0.6789920596719188
Energy: 0.8490372042280128
Energy: 0.6792649644736785
Energy: 0.6787266096678795
Energy: 0.8101627453563368
Energy: 0.7042377957445118
Energy: 0.688309250983847
Energy: 0.8097134215694823
Energy: 0.7191206349907103
Energy: 0.7910203755367992
Energy: 0.8055972088243711
Energy: 0.8103383956068387
Energy: 0.8036913471618164
Energy: 0.8060903063866175
Energy: 0.8140602608344075
Energy: 0.8036712972213182
Energy: 0.8167846088208972
Energy: 0.7494261111135975
Energy: 0.7489838687958738
Energy: 0.8119109003974704
Energy: 0.750423997616848
Energy: 0.7757201164995027
Energy: 0.8359252657494266
Energy: 0.8114388392513191
Energy: 0.8189296094322798
Energy: 0.8184040295221682
Energy: 0.8144642098524604
Energy: 0.8181910544462742
Energy: 0.8354466364129615
Energy: 0.8038138040509
Energy: 0.8175186996240461
Energy: 0.8178951744890893
Energy: 0.8215189220501303
Energy: 0.8186078264123663
Energy: 0.8366112297224856
Energy: 0.7014944773620393
Energy: 0.6678742351866468
Energy: 0.7018412687210989
Energy: 0.7286829615490448
Energy: 0.8202710406035387
Energy: 0.8502915276852634
Energy: 0.8209624023808104
Energy: 0.7242771589365122
Energy: 0.7657644025886102
Energy: 0.723821801960956
Energy: 0.7304917167921621
Energy: 0.8554504992333888
Energy: 0.7316384321460353
Energy: 0.737615474261261
Energy: 0.7681678835438115
Energy: 0.7366842048245552
Energy: 0.7691751531996155
Energy: 0.9339255750409786
Energy: 0.7309164975636784
Energy: 0.7127837528056522
Energy: 0.7438193865602779
Energy: 0.7315808057005994
Energy: 0.731814210014493
Energy: 1.0921097419788635
Energy: 0.7076451006758901
Energy: 0.683725939137377
Energy: 0.6793866202365153
Energy: 0.7074591338916155
Energy: 0.739815837568952

minimum gb energy = 0.6678742351866468 eV
minimum distance =  2.48834362120813 Angstroms
sigma value = 51


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

Energy: 1.043776122077637
Energy: 0.7061783560462241
Energy: 0.6861774792593506
Energy: 0.8815307448316168
Energy: 0.7226826519385173
Energy: 0.6504728808248613
Energy: 0.8092575134937412
Energy: 0.7216199906035987
Energy: 0.7217516499589469
Energy: 0.6299757390774119
Energy: 0.7215035680087581
Energy: 0.7220297517941903
Energy: 0.9480676684800695
Energy: 0.7225752271614979
Energy: 0.7226876116776905
Energy: 0.6884236844922245
Energy: 0.7227966694895823
Energy: 0.7225940352545795
Energy: 0.931406393436779
Energy: 0.6726235844934602
Energy: 0.672725813255713
Energy: 0.7100041905992052
Energy: 0.6724412480538051
Energy: 0.7154096258440121
Energy: 0.8087524523481656
Energy: 0.7340303444720092
Energy: 0.7351720293085708
Energy: 0.6290200164024516
Energy: 0.7337564827252503
Energy: 0.734836701360055
Energy: 0.8096135924724729
Energy: 0.7350763846039907
Energy: 0.7343280708400802
Energy: 0.7467582253389455
Energy: 0.7355798526137235
Energy: 0.733745915249078
Energy: 0.8095055386867054
Energy: 0.725636127002086
Energy: 0.7358288775579607
Energy: 0.7345612504971596
Energy: 0.7234694795238946
Energy: 0.7358508206164754
Energy: 0.81409503855284
Energy: 0.7011300132808003
Energy: 0.6745366419903658
Energy: 0.730753419349128
Energy: 0.700677603632756
Energy: 0.6754435340007414
Energy: 0.7222728172948543
Energy: 0.6543538921043661
Energy: 0.6544937288797383
Energy: 0.7222991597672551
Energy: 0.6870537382107337
Energy: 0.7225049850209757
Energy: 0.7214242141184534
Energy: 0.6996086573737783
Energy: 0.7056625709877764
Energy: 0.7214387973311478
Energy: 0.7196428515831931
Energy: 0.7218666813583502
Energy: 0.7197483782097984
Energy: 0.6918840700114107
Energy: 0.6919755667910251
Energy: 0.7224472965102932
Energy: 0.660768911628013
Energy: 0.6910434543215851
Energy: 0.7451812138991811
Energy: 0.7209577897490982
Energy: 0.7291549157768753
Energy: 0.7083012114631813
Energy: 0.6871947832002173
Energy: 0.7058538759036376
Energy: 0.7446376838152096
Energy: 0.7085995568667476
Energy: 0.7076550891048112
Energy: 0.7354095710800976
Energy: 0.7151064397996347
Energy: 0.7353411198450783
Energy: 0.745566082401484
Energy: 0.7189441428415777
Energy: 0.6834747066105695
Energy: 0.7357789890777119
Energy: 0.711137125615904
Energy: 0.6834928662909179
Energy: 0.8544818411179488
Energy: 0.6829095183565335
Energy: 0.6827449675476192
Energy: 0.7120085444284185
Energy: 0.6843944630688112
Energy: 0.6620293066673403
Energy: 0.8587654035759696
Energy: 0.7359199165865447
Energy: 0.7362400692892501
Energy: 0.7247775356234585
Energy: 0.7357618345006727
Energy: 0.7188969389123488
Energy: 0.8727275492823082
Energy: 0.7366793163267805
Energy: 0.7359347601755439
Energy: 0.6612209519806069
Energy: 0.73763569955597
Energy: 0.735944419963289
Energy: 1.0116320101059753
Energy: 0.7223123195220658
Energy: 0.7110805543744855
Energy: 0.6985164670589494
Energy: 0.7054878892642884
Energy: 0.6949536488277355

minimum gb energy = 0.6290200164024516 eV
minimum distance =  2.55957582977732 Angstroms
sigma value = 19


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

Energy: 0.8767491940082425
Energy: 0.6662472033368471
Energy: 0.6701994777986945
Energy: 0.7466715680481072
Energy: 0.6663610893174597
Energy: 0.746570910806696
Energy: 0.7670634207720924
Energy: 0.6641532454363523
Energy: 0.6641646648746331
Energy: 0.6784824542413236
Energy: 0.6641037031457314
Energy: 0.6641694339985321
Energy: 0.7659819535296659
Energy: 0.6640165461002069
Energy: 0.6640362885746005
Energy: 0.6632336075276817
Energy: 0.6641271423645978
Energy: 0.6641417804770133
Energy: 0.7650828976751671
Energy: 0.6642080141050791
Energy: 0.664545412059991
Energy: 0.6786137700791985
Energy: 0.7346022871987805
Energy: 0.6648242166290622
Energy: 0.7334055622507696
Energy: 0.6637885749126888
Energy: 0.6639732890209049
Energy: 0.6540149260445708
Energy: 0.6640188050306317
Energy: 0.686778126578365
Energy: 0.766997373820398
Energy: 0.6483106576234734
Energy: 0.685913836342029
Energy: 0.6867608939622576
Energy: 0.6480428064290733
Energy: 0.6857761982198857
Energy: 0.7665375270158113
Energy: 0.6837185207596375
Energy: 0.6832265480581757
Energy: 0.6875900021839436
Energy: 0.6537531632767108
Energy: 0.683432838705893
Energy: 0.7341596322857344
Energy: 0.6478540857583517
Energy: 0.6397078450372797
Energy: 0.7339042418475338
Energy: 0.6479518082539867
Energy: 0.6456865647096651
Energy: 0.6639843954000909
Energy: 0.6392508981275556
Energy: 0.6393374650586154
Energy: 0.6640753862599078
Energy: 0.6397063775838141
Energy: 0.6448468788869601
Energy: 0.6643262083760203
Energy: 0.6639542504232333
Energy: 0.6641069385603142
Energy: 0.6643336198282308
Energy: 0.6846246625213197
Energy: 0.6641315133751966
Energy: 0.6629182274719367
Energy: 0.7111234701715639
Energy: 0.7107142269668134
Energy: 0.6631514791682575
Energy: 0.711172244509035
Energy: 0.6638443794875595
Energy: 0.7660755543335873
Energy: 0.6862298383511918
Energy: 0.6860339260431508
Energy: 0.6638512311623517
Energy: 0.6837954249934993
Energy: 0.6639631223766193
Energy: 0.6475772430807418
Energy: 0.6837988125543045
Energy: 0.6867783715435317
Energy: 0.649600775779416
Energy: 0.6837851818500469
Energy: 0.7143243167449286
Energy: 0.7669436702848509
Energy: 0.6860490849919182
Energy: 0.6867910618389079
Energy: 0.6639796001651429
Energy: 0.6859291633654863
Energy: 0.686589964755709
Energy: 0.8786378435158115
Energy: 0.6624253429208993
Energy: 0.6628201557399882
Energy: 0.6397534206178088
Energy: 0.6621987892224668
Energy: 0.6448231135251559
Energy: 0.8825472842295978
Energy: 0.6645596813999086
Energy: 0.6457088876153657
Energy: 0.6488047795317223
Energy: 0.664670345429221
Energy: 0.6397208439448464
Energy: 0.7666811719063253
Energy: 0.6639126089997313
Energy: 0.6639138365976069
Energy: 0.653629290420192
Energy: 0.663906406578742
Energy: 0.664050364042333
Energy: 0.7619598766700052
Energy: 0.664556219375741
Energy: 0.6647978642008437
Energy: 0.6806679855796429
Energy: 0.664382868749862
Energy: 0.6649460765902033
Energy: 0.7620228131358385
Energy: 0.6643218173689741
Energy: 0.6644179052364221
Energy: 0.6798756384083684
Energy: 0.6641330874960178
Energy: 0.6643949060509399
Energy: 0.7671078124758203
Energy: 0.6481335779559427
Energy: 0.6864951893215194
Energy: 0.6868091670237711
Energy: 0.6480397845824468
Energy: 0.6858829001307059
Energy: 0.7650776838607031
Energy: 0.6863620372949317
Energy: 0.6870387535005037
Energy: 0.714451977041025
Energy: 0.6642152586003371
Energy: 0.6865277611881802
Energy: 0.7668637117305755
Energy: 0.652754328132299
Energy: 0.6867973728147793
Energy: 0.6837755629759127
Energy: 0.6627459211296485
Energy: 0.6865012125749903
Energy: 0.7341673516818202
Energy: 0.7463169458483303
Energy: 0.7457332355284888
Energy: 0.7342389911093594
Energy: 0.7465218829268471
Energy: 0.6392742482427568
Energy: 0.664198166162333
Energy: 0.6843696006464518
Energy: 0.6645375131462613
Energy: 0.6642145599294682
Energy: 0.6731477279868557
Energy: 0.6641120019377184
Energy: 0.6639791289863373
Energy: 0.6639952952680819
Energy: 0.664126523959661
Energy: 0.6640638252024222
Energy: 0.6841745915742737
Energy: 0.6644452201505406
Energy: 0.735154794184782
Energy: 0.6789903857182844
Energy: 0.6795245721174862
Energy: 0.7350523963603949
Energy: 0.6789053756295789
Energy: 0.6645162965359056
Energy: 0.766301368453818
Energy: 0.6864037765238701
Energy: 0.6864432640284761
Energy: 0.6881030143624317
Energy: 0.686878365276996
Energy: 0.6866425365258774
Energy: 0.6476707924925506
Energy: 0.686386959433923
Energy: 0.683660783107374
Energy: 0.6478804555263334
Energy: 0.68733471940061
Energy: 0.6856388002195439
Energy: 0.7356952893160685
Energy: 0.6833993150255371
Energy: 0.6836186698331687
Energy: 0.6642407562372082
Energy: 0.6870847282657816
Energy: 0.6832266410048172
Energy: 0.878534005069301
Energy: 0.6641412602399772
Energy: 0.6456729520052209
Energy: 0.6480465678770575
Energy: 0.7340497098601264
Energy: 0.6400661990209217

minimum gb energy = 0.6392508981275556 eV
minimum distance =  2.59336865351219 Angstroms
sigma value = 27


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

Energy: 0.7562519244361666
Energy: 0.6495637788474921
Energy: 0.7373058539067243
Energy: 0.5630818354932408
Energy: 0.6496814220216925
Energy: 0.7358753196507158
Energy: 0.7503474412216464
Energy: 0.6466594236495555
Energy: 0.646798486473234
Energy: 0.6384421045259828
Energy: 0.6466030637817163
Energy: 0.6469304719637359
Energy: 0.689234949727766
Energy: 0.6465107966277708
Energy: 0.646616311573194
Energy: 0.5966506787454517
Energy: 0.6466610948446536
Energy: 0.646926943672773
Energy: 0.6910168336094885
Energy: 0.6093384265812478
Energy: 0.6093523579053095
Energy: 0.5966174612937182
Energy: 0.6797333236653949
Energy: 0.57233772280177
Energy: 0.7499293518625928
Energy: 0.5927179394197667
Energy: 0.5721599360412036
Energy: 0.6804783296131246
Energy: 0.5930812009024533
Energy: 0.5710779408603402
Energy: 0.6465155958831046
Energy: 0.5855173555204102
Energy: 0.5690103068825769
Energy: 0.6464908796300353
Energy: 0.5918209679002889
Energy: 0.569059955532234
Energy: 0.648404016429282
Energy: 0.595739775189353
Energy: 0.6097573091513371
Energy: 0.6468216304305086
Energy: 0.6357463750624065
Energy: 0.6466642398574588
Energy: 0.6468621526501167
Energy: 0.5930816671128379
Energy: 0.5945697131180491
Energy: 0.6750106702406595
Energy: 0.5939217441818013
Energy: 0.6335362724687292
Energy: 0.689731233122641
Energy: 0.5939060455694155
Energy: 0.5954575974286382
Energy: 0.6467958173333351
Energy: 0.5940236476586293
Energy: 0.6077440281387847
Energy: 0.6172299700851615
Energy: 0.5969816807889486
Energy: 0.5958734860571067
Energy: 0.609650189528456
Energy: 0.6090306924536837
Energy: 0.6083312180178075
Energy: 0.6892317637724916
Energy: 0.6619249785099327
Energy: 0.6094053745632039
Energy: 0.6326628641028763
Energy: 0.6632639253900865
Energy: 0.6087424150326823
Energy: 0.6800744947673693
Energy: 0.6466652200400355
Energy: 0.6076912437294714
Energy: 0.6388852430213787
Energy: 0.646654579083115
Energy: 0.6075638983894848

minimum gb energy = 0.5630818354932408 eV
minimum distance =  2.57754940166231 Angstroms
sigma value = 9


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

Energy: 1.2859900590482707
Energy: 0.596582230753819
Energy: 0.5935483818966826
Energy: 0.5900950086448696
Energy: 0.595034890001748
Energy: 0.5347532080034499
Energy: 0.6020511998168666
Energy: 0.5535639329113659
Energy: 0.5538333313464032
Energy: 0.5505387727307784
Energy: 0.5533922365642093
Energy: 0.5433174907199865
Energy: 0.5761188149725667
Energy: 0.5538762425514517
Energy: 0.5541269205782077
Energy: 0.547852899572406
Energy: 0.5552796783403147
Energy: 0.5501088400265953
Energy: 0.578687328268559
Energy: 0.53026544207453
Energy: 0.5196580278796045
Energy: 0.5457493938330303
Energy: 0.5696217863575258
Energy: 0.5112567619636407
Energy: 0.6033648267206181
Energy: 0.5288308046164362
Energy: 0.5144285495289835
Energy: 0.5600074110457878
Energy: 0.5288744633222422
Energy: 0.5519772411022836
Energy: 0.5603156078153002
Energy: 0.5163262783477615
Energy: 0.571952296377338
Energy: 0.5605388734926655
Energy: 0.5195989710551869
Energy: 0.5405613065360932
Energy: 0.561698359126868
Energy: 0.5115655768409342
Energy: 0.5515902315470544
Energy: 0.5627321525719803
Energy: 0.5507063643891303
Energy: 0.5626287085658425
Energy: 0.5486508796557802
Energy: 0.5469716527854437
Energy: 0.5526297364771524
Energy: 0.5490191836375033
Energy: 0.5451530834081595
Energy: 0.5523748103048437
Energy: 0.5536558677810197
Energy: 0.5351538016716549
Energy: 0.5122789498737678
Energy: 0.5442498970797226
Energy: 0.54829285450747
Energy: 0.5634500039993445
Energy: 0.5407470909208172
Energy: 0.5349159685945176
Energy: 0.5350450935722588
Energy: 0.5183966754373773
Energy: 0.5652061379052583
Energy: 0.5147726704846329
Energy: 0.5352059199018666
Energy: 0.5664655532609019
Energy: 0.5634949781080973
Energy: 0.520118378590685
Energy: 0.5664392009457965
Energy: 0.5201682671612878
Energy: 0.5543577752139687
Energy: 0.5622109576509627
Energy: 0.562170087468809
Energy: 0.5506556536473793
Energy: 0.5623526967110074
Energy: 0.5616569356676212
Energy: 0.7700588520353583
Energy: 0.5310646026586273
Energy: 0.5358797051130298
Energy: 0.567306728798614
Energy: 0.5308929684589052
Energy: 0.5301643785465262
Energy: 0.6186341396188301
Energy: 0.561823946771881
Energy: 0.5552152277474046
Energy: 0.5506419269318735
Energy: 0.5629403794182707
Energy: 0.5107384613475106
Energy: 0.5552985467652024
Energy: 0.5732195310350108
Energy: 0.5737618431444246
Energy: 0.5556743795465503
Energy: 0.573523093925996
Energy: 0.5708967551876046
Energy: 0.554978344867772
Energy: 0.5650889570950753
Energy: 0.5538375866893032
Energy: 0.5545869293609255
Energy: 0.5627241825967121
Energy: 0.5541089184408591
Energy: 0.5533042879870917
Energy: 0.5193884897197256
Energy: 0.5098410897977328
Energy: 0.553427352741009
Energy: 0.5190862460952154
Energy: 0.553356156265103
Energy: 0.605340795442611
Energy: 0.524649986553017
Energy: 0.5605298709506141
Energy: 0.553263891058734
Energy: 0.5314908185002579
Energy: 0.5442200451696674
Energy: 0.5754181985698424
Energy: 0.5445726987920282
Energy: 0.52910238469207
Energy: 0.5543765941728138
Energy: 0.5610210278937047
Energy: 0.5393472931790074
Energy: 0.5770261929452116
Energy: 0.5569617923300837
Energy: 0.5562831261923086
Energy: 0.5563369548213821
Energy: 0.5557803437881824
Energy: 0.545670082611891
Energy: 0.575932830136363
Energy: 0.5546477606470153
Energy: 0.5654170818531917
Energy: 0.536121034457002
Energy: 0.5552580114055933
Energy: 0.5421599647664277
Energy: 0.6066685302574802
Energy: 0.5553634526201519
Energy: 0.565582465624811
Energy: 0.5296637795784176
Energy: 0.5554333851046307
Energy: 0.5405569561375918
Energy: 0.6038004674366114
Energy: 0.5539961676045301
Energy: 0.5538412562694593
Energy: 0.5301459078165668
Energy: 0.5538747383468772
Energy: 0.553214988137603
Energy: 0.5757103194863171
Energy: 0.5548483985866368
Energy: 0.5546473648130932
Energy: 0.5564854501605192
Energy: 0.5549364926931213
Energy: 0.5677372917584261
Energy: 0.7748568443233773
Energy: 0.5535646888302561
Energy: 0.5629425101430225
Energy: 0.5492559663698727
Energy: 0.5535168854088979
Energy: 0.5719864595452713
Energy: 0.6033930672720236
Energy: 0.5210274109947134
Energy: 0.5113174675200459
Energy: 0.5625606530189738
Energy: 0.5206859079477313
Energy: 0.5466298778345811
Energy: 0.5225554649678791
Energy: 0.5334976137455899
Energy: 0.5599181649124191
Energy: 0.5227529165807611
Energy: 0.5242167787635673
Energy: 0.5769996406214792
Energy: 0.5620523965928494
Energy: 0.5207219131621487
Energy: 0.5206928499583261
Energy: 0.5621227687809643
Energy: 0.5209392960421496
Energy: 0.5623332698413698
Energy: 0.562232513160293
Energy: 0.5353539336793931
Energy: 0.5198017624716046
Energy: 0.562605030857569
Energy: 0.5352737044204403
Energy: 0.5598654051905089
Energy: 0.5544780149939865
Energy: 0.5508353514060603
Energy: 0.544074627028615
Energy: 0.5533266490295419
Energy: 0.5453062889638494
Energy: 0.535139873743463
Energy: 0.5353440617166383
Energy: 0.5359898346935942
Energy: 0.5688009940890526
Energy: 0.5199346640228211
Energy: 0.5607055141505706
Energy: 0.5198788264437522
Energy: 0.5392759983998597
Energy: 0.5505296679197286
Energy: 0.5498958671637805
Energy: 0.5190384359372494
Energy: 0.5498845321607059
Energy: 0.5224912656571132
Energy: 0.5707589785772119
Energy: 0.5624643951622106
Energy: 0.5625427233025911
Energy: 0.5521499151028444
Energy: 0.5636348991054777
Energy: 0.5619777495456351
Energy: 0.5738484291922497
Energy: 0.5608910606828571
Energy: 0.5616832301396424
Energy: 0.5318356138314083
Energy: 0.5606942417956655
Energy: 0.5289639940237375
Energy: 0.5704170488816437
Energy: 0.5533378191422302
Energy: 0.5885853558971892
Energy: 0.5294339453460253
Energy: 0.5617525302488842
Energy: 0.511322346409748
Energy: 0.5711211261509621
Energy: 0.5753780081506452
Energy: 0.5361430879006974
Energy: 0.5612738653782335
Energy: 0.5710591119073334
Energy: 0.5208953230693059
Energy: 0.5540458955529043
Energy: 0.5492136234121171
Energy: 0.5445562214803459
Energy: 0.5548377606831331
Energy: 0.54870814891046
Energy: 0.5449741988937334
Energy: 0.553278754046964
Energy: 0.5408867671969834
Energy: 0.5246973916963679
Energy: 0.5531729860587514
Energy: 0.5371262607672999
Energy: 0.5533341041757162
Energy: 0.5896621690481603
Energy: 0.5597927247290366
Energy: 0.5850146248025349
Energy: 0.5897562256777077
Energy: 0.5252005771307964
Energy: 0.604411079253976
Energy: 0.5760814500960385
Energy: 0.5409757738746401
Energy: 0.5252639760496716
Energy: 0.5531718133085465
Energy: 0.5372944577085271
Energy: 0.5381039534616952
Energy: 0.5764341004053997
Energy: 0.5571929706169377
Energy: 0.5336761552082301
Energy: 0.5565194951163703
Energy: 0.5578687796739774
Energy: 0.5492780810429075
Energy: 0.5763352108824011
Energy: 0.5619280965582242
Energy: 0.5596073849840429
Energy: 0.5544351521650429
Energy: 0.5564775342399322
Energy: 0.5384196607226236
Energy: 0.604066046517656
Energy: 0.55391537692178
Energy: 0.5536326126634018
Energy: 0.5301041528168356
Energy: 0.5539126109546737
Energy: 0.5531593207276689

minimum gb energy = 0.5098410897977328 eV
minimum distance =  2.53852628249794 Angstroms
sigma value = 57


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

Energy: 0.23690958957966618
Energy: 0.2684047404778598
Energy: 0.24474644042339633
Energy: 0.23889436667153383
Energy: 0.2683958522170758
Energy: 0.23789273791157
Energy: 0.29837909401800083
Energy: 0.27409660839732625
Energy: 0.24793269735974602
Energy: 0.26655137936162804
Energy: 0.2670468324946174
Energy: 0.27224636593668
Energy: 0.2988258229510215
Energy: 0.26722909704682996
Energy: 0.26722982777022486
Energy: 0.26725864900216684
Energy: 0.2671409856590386
Energy: 0.267163702083224
Energy: 0.2989477736355698
Energy: 0.2671674397032582
Energy: 0.2671849859457958
Energy: 0.26756952182847915
Energy: 0.30048496726815455
Energy: 0.2672573090004772
Energy: 0.2977184185212879
Energy: 0.23769671485770627
Energy: 0.2567341928232158
Energy: 0.2985079269811369
Energy: 0.23745036492260252
Energy: 0.2727288308169501
Energy: 0.26717362153904417
Energy: 0.23757800433829399
Energy: 0.23774882460829155
Energy: 0.26713017736553385
Energy: 0.23745248118032833
Energy: 0.2565376985497651
Energy: 0.26544655598833083
Energy: 0.24779781743414722
Energy: 0.24798523599322578
Energy: 0.2659999225360814
Energy: 0.2669780589885119
Energy: 0.27326261029053067
Energy: 0.267144447673847
Energy: 0.2676949753698501
Energy: 0.2992107907689385
Energy: 0.2671824026420416
Energy: 0.2667268045334353
Energy: 0.267088754297184
Energy: 0.2975907865468903
Energy: 0.2670612703719479
Energy: 0.27337803250507176
Energy: 0.2983145863861033
Energy: 0.2670173944978947
Energy: 0.26688524408023456
Energy: 0.24223988770095992
Energy: 0.2669088481886416
Energy: 0.2576309044713448
Energy: 0.2373202322439867
Energy: 0.26759340652391994
Energy: 0.2572549556752355
Energy: 0.23735495606045293
Energy: 0.2481535942626104
Energy: 0.24803122333592356
Energy: 0.23740094984016702
Energy: 0.2670834180993012
Energy: 0.25954685559624185
Energy: 0.29877192969139493
Energy: 0.26694484720022926
Energy: 0.26706467092612923
Energy: 0.2992825034749467
Energy: 0.267332957403558
Energy: 0.27363489955701703
Energy: 0.29879438607698666
Energy: 0.2988345966143391
Energy: 0.2991032418861547
Energy: 0.2669228887405683
Energy: 0.2988484628795787
Energy: 0.2990084559846186
Energy: 0.29831706857699414
Energy: 0.26804486632746477
Energy: 0.2668646421834889
Energy: 0.29869962741100436
Energy: 0.26732173449910257
Energy: 0.24841062606188977
Energy: 0.29889741223242655
Energy: 0.2373913728902014
Energy: 0.2374877120442711
Energy: 0.2986030993135105
Energy: 0.24108039336244072
Energy: 0.23858459811738783
Energy: 0.26696313196396726
Energy: 0.26671479230534056
Energy: 0.2729692835502342
Energy: 0.2671422094249372
Energy: 0.23761653981343098
Energy: 0.24795507367626718
Energy: 0.2670924877283265
Energy: 0.2671356643461279
Energy: 0.273385467713833
Energy: 0.2669996695410159
Energy: 0.26727172301163477
Energy: 0.2672129895134285
Energy: 0.30049057649325794
Energy: 0.2667723293674745
Energy: 0.2993390531726814
Energy: 0.3005687374960995
Energy: 0.2667607227651313
Energy: 0.26717523814781624
Energy: 0.23737993938799512
Energy: 0.24860660597158202
Energy: 0.24855192130393952
Energy: 0.2374829959974236
Energy: 0.2988725036848258
Energy: 0.26697047124984297

minimum gb energy = 0.23690958957966618 eV
minimum distance =  2.58621341357942 Angstroms
sigma value = 11


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

Energy: 0.5306994596488125
Energy: 0.4527354542170405
Energy: 0.4859106037254809
Energy: 0.4547559834004261
Energy: 0.4516156510497196
Energy: 0.4863388651087854
Energy: 0.4300042033552207
Energy: 0.43000607047421646
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Energy: 0.4297734547138228
Energy: 0.43339208367875426
Energy: 0.4528647226142501
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Energy: 0.4356979437132459
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Energy: 0.4638773377864872
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Energy: 0.465099778576413
Energy: 0.46155816184002507
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Energy: 0.46628700148501767
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Energy: 0.4832930101263893
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Energy: 0.5034533192772611
Energy: 0.48270739687200054
Energy: 0.7416368088650532
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Energy: 0.43282602695295636
Energy: 0.5381319685710891
Energy: 0.4450501341113665
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Energy: 0.46345756525039766
Energy: 0.462812066086426
Energy: 0.4464509258900432
Energy: 0.5044218291466476
Energy: 0.45617396990446624
Energy: 0.5010577432975438
Energy: 0.4477224771331484
Energy: 0.4496414285749379
Energy: 0.43045668954749056
Energy: 0.5079306055370338
Energy: 0.45008257916487865
Energy: 0.5988910961171476
Energy: 0.4658394703477363
Energy: 0.4462737225765988
Energy: 0.47059703148096244
Energy: 0.5040516950364807
Energy: 0.4463279972378313
Energy: 0.6509880375633884
Energy: 0.45016985025023126
Energy: 0.4732116429529699
Energy: 0.43219653409135284
Energy: 0.505634955412157
Energy: 0.45550340198917877
Energy: 0.522265987799246
Energy: 0.44473022503060894
Energy: 0.4487669696801148
Energy: 0.521821371842452
Energy: 0.46795197322271315
Energy: 0.45014467011244486
Energy: 0.430962518670525
Energy: 0.45003233670130915
Energy: 0.47355732886686897
Energy: 0.431439758255909
Energy: 0.4481313564886966
Energy: 0.4546288769744486
Energy: 0.429676695097094
Energy: 0.429961185368552
Energy: 0.4298696314383817
Energy: 0.42998940064586827
Energy: 0.43616151226911
Energy: 0.43002343410931
Energy: 0.4497683276087648
Energy: 0.4360618873351482
Energy: 0.42978357402845524
Energy: 0.4505910962032397
Energy: 0.4345277148443958
Energy: 0.42978470053979817
Energy: 0.5011049057798382
Energy: 0.4645755399187726
Energy: 0.4576319711848456
Energy: 0.5634521123339118
Energy: 0.4304623327673352
Energy: 0.44713237637196834

minimum gb energy = 0.41350888504817107 eV
minimum distance =  2.54684962915572 Angstroms
sigma value = 41


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

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Energy: 0.5405448852083931
Energy: 0.4828016745685548
Energy: 0.5236380651425078
Energy: 0.5407090699152937
Energy: 0.5568472070783691
Energy: 0.47374223585691055
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Energy: 0.47458224918701725
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Energy: 0.5059148414368586
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Energy: 0.5385044664201059
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Energy: 0.47440098325507496
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Energy: 0.47504003156127567
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Energy: 0.4873353014525884
Energy: 0.5398049911223998
Energy: 0.5009140353930487
Energy: 0.5310108222683005
Energy: 0.5398081867683244
Energy: 0.5007865331725102
Energy: 0.5065645384168906
Energy: 0.5383591467146743
Energy: 0.47634279894215115
Energy: 0.4870857940157713
Energy: 0.47406807707603765
Energy: 0.49326534209391953
Energy: 0.4879557734351653
Energy: 0.49809854528880687
Energy: 0.5069274136431694
Energy: 0.5340055196357069
Energy: 0.4983494775196754
Energy: 0.5068765575271681
Energy: 0.4645380264970606
Energy: 0.5386048275510759
Energy: 0.4765346733614574
Energy: 0.4742939733420206
Energy: 0.4745514758054493
Energy: 0.47614173800542514
Energy: 0.48906913544592273
Energy: 0.538820394007055
Energy: 0.47624585269155195
Energy: 0.49893644402441045
Energy: 0.47429445227310063
Energy: 0.47645104668287547
Energy: 0.4919819361640836
Energy: 0.7160930589668536
Energy: 0.49934591111967314
Energy: 0.5020139645497854
Energy: 0.47476311627721524
Energy: 0.48725422774150634
Energy: 0.49236332057385584
Energy: 0.5385795563413616
Energy: 0.47083127703785593
Energy: 0.5132852271125641
Energy: 0.4762048945217765
Energy: 0.4490867534077136
Energy: 0.49267622667422606
Energy: 0.47764403377296605
Energy: 0.5039388977798387
Energy: 0.5028708118967077
Energy: 0.4777068888792808
Energy: 0.4483012509764278
Energy: 0.5029954782919562
Energy: 0.47785906726874267
Energy: 0.49702246170826697
Energy: 0.5082866137631445
Energy: 0.4789151732829529
Energy: 0.49825031753248367
Energy: 0.5053095738449342
Energy: 0.47617414252075557
Energy: 0.47435201209322897
Energy: 0.476655352985391
Energy: 0.4762840603584716
Energy: 0.474374309684842
Energy: 0.4765783416499856
Energy: 0.4745757211478874
Energy: 0.4746921990459646
Energy: 0.49282849771977016
Energy: 0.4781096131215385
Energy: 0.4744989539655455
Energy: 0.47502629534101976
Energy: 0.7553887886012673
Energy: 0.5128918761808265
Energy: 0.4926504846184865
Energy: 0.45015093426414143
Energy: 0.4740516675099756
Energy: 0.49249817211675034

minimum gb energy = 0.4483012509764278 eV
minimum distance =  2.54480530366074 Angstroms
sigma value = 33


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

Energy: 0.6907257961603651
Energy: 0.58273429757166
Energy: 0.6232194143380198
Energy: 0.648325196301091
Energy: 0.5831628352001896
Energy: 0.6673959196568191
Energy: 0.5818251911463098
Energy: 0.5189336288244581
Energy: 0.5226683946107029
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Energy: 0.5214368186342394
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Energy: 0.5644867166282458
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Energy: 0.5175000015968813
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Energy: 0.5890970933799541
Energy: 0.5976429043671473
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Energy: 0.5887594712265296
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Energy: 0.5290506981063388
Energy: 0.6346305265779573
Energy: 0.5400269637474638
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Energy: 0.6416529684308883
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Energy: 0.5242012459587005
Energy: 0.520016442224992
Energy: 0.5838075052211249
Energy: 0.5247949483611825
Energy: 0.5071292961661941
Energy: 0.48847326640112704
Energy: 0.5819908773305539
Energy: 0.5329110594768228

minimum gb energy = 0.48847326640112704 eV
minimum distance =  2.53499687823728 Angstroms
sigma value = 67


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

Energy: 0.7709894066488526
Energy: 0.56959334805576
Energy: 0.5325797562936496
Energy: 0.564441642076731
Energy: 0.5700740325214756
Energy: 0.5325898707880198
Energy: 0.5597083756954884
Energy: 0.5244557616986939
Energy: 0.5243124497029739
Energy: 0.5399554928050638
Energy: 0.5594986132273971
Energy: 0.5100925416327726
Energy: 0.5604483236790518
Energy: 0.48942298040210375
Energy: 0.5128500636520875
Energy: 0.5625224581300405
Energy: 0.48877668779463096
Energy: 0.5126359327945507
Energy: 0.5593276979015623
Energy: 0.5117462502757616
Energy: 0.5119635971539139
Energy: 0.5594728171367312
Energy: 0.5255182073198578
Energy: 0.5117404867010702
Energy: 0.560061723702323
Energy: 0.5264777891202951
Energy: 0.5265450381770663
Energy: 0.5602922924955215
Energy: 0.5361022506800914
Energy: 0.5263520423632937
Energy: 0.5604812680868535
Energy: 0.509289117852588
Energy: 0.5326460570252064
Energy: 0.5603622229289312
Energy: 0.5243411699817522
Energy: 0.560693325129481
Energy: 0.6153662024033807
Energy: 0.525246598031592
Energy: 0.5227902268009995
Energy: 0.6155644520225199
Energy: 0.5589685233017723
Energy: 0.5107210128045979

minimum gb energy = 0.48877668779463096 eV
minimum distance =  2.61367876546709 Angstroms
sigma value = 3


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

Energy: 1.0293927006889236
Energy: 0.7352152603384632
Energy: 0.631236097330771
Energy: 0.5935017997024097
Energy: 0.7347262186417958
Energy: 0.6275252926198326
Energy: 0.5801385036054652
Energy: 0.6287002011767636
Energy: 0.6261203948227011
Energy: 0.6068724301781021
Energy: 0.5892584838301936
Energy: 0.5819221492131662
Energy: 0.5800358620021114
Energy: 0.5800018735855245
Energy: 0.5798730643215312
Energy: 0.5801982278721818
Energy: 0.5796645645111231
Energy: 0.5804108782318024
Energy: 0.5823877621949437
Energy: 0.5798510933002713
Energy: 0.5796595549990151
Energy: 0.5833303001359453
Energy: 0.6575669031522611
Energy: 0.579887975858416
Energy: 0.5801320260206014
Energy: 0.5813180891663141
Energy: 0.5810086983360933
Energy: 0.5803421076636918
Energy: 0.6195388977525182
Energy: 0.5807044980847403
Energy: 0.5796275661907421
Energy: 0.6267216614899669
Energy: 0.5815185260289231
Energy: 0.5796975917520053
Energy: 0.6196116045481149
Energy: 0.5811727080590318
Energy: 0.5806653462190683
Energy: 0.6053832096116333
Energy: 0.6279488362652608
Energy: 0.6109151635284351
Energy: 0.6167409337436441
Energy: 0.624851284529987
Energy: 0.7849088292562465
Energy: 0.6536633652530882
Energy: 0.6099644815739558
Energy: 0.580871700659856
Energy: 0.6486098352366927
Energy: 0.6107032884134077
Energy: 0.5825682187606033
Energy: 0.5849952039953916
Energy: 0.6285221798795796
Energy: 0.6134901026306412
Energy: 0.5912294152748451
Energy: 0.5935961610976315
Energy: 0.6696790304078873
Energy: 0.5782277502420913
Energy: 0.5781968909594439
Energy: 0.649020650182941
Energy: 0.5783716648260274
Energy: 0.6358632192226574
Energy: 0.6074908240888555
Energy: 0.6570626991072618
Energy: 0.6240572309506042
Energy: 0.6499828463476831
Energy: 0.5930259087340092
Energy: 0.6291392100872318
Energy: 0.6071685256560827
Energy: 0.5915292044129898
Energy: 0.5812780430466218
Energy: 0.6055393257144628
Energy: 0.5806392690579062
Energy: 0.5818666423004989
Energy: 0.6202246868301433
Energy: 0.5807327414198965
Energy: 0.5811870445586871
Energy: 0.6244256790341507
Energy: 0.5806846662867214
Energy: 0.5818024759328667
Energy: 0.6089950518472114
Energy: 0.5840246635225915
Energy: 0.5799696604822578
Energy: 0.58714462831947
Energy: 0.5815667606768962
Energy: 0.5800287776182277
Energy: 0.6622471848895752
Energy: 0.581675248614186
Energy: 0.5812074045128153
Energy: 0.6199744731819393
Energy: 0.5812375078994306
Energy: 0.6402584581164235
Energy: 0.6059826358554949
Energy: 0.5812711845323382
Energy: 0.5806036403726134
Energy: 0.6064883545756334
Energy: 0.6082425958486909
Energy: 0.5805022209312559
Energy: 0.7384905823894744
Energy: 0.579852079519909
Energy: 0.600766147317842
Energy: 0.7388071182700391
Energy: 0.5802036860034211
Energy: 0.6680315957451106
Energy: 0.6007290093215956
Energy: 0.6251063257326078
Energy: 0.5799357436702441
Energy: 0.6055418905719329
Energy: 0.61025187727182
Energy: 0.6194351377713401
Energy: 0.6222821642305637
Energy: 0.5840941330211219
Energy: 0.5801536363645864
Energy: 0.5847319851445307
Energy: 0.5918739761493685
Energy: 0.5780030306786786
Energy: 0.7034513878520823
Energy: 0.6062424543047057
Energy: 0.613752709466397
Energy: 0.6231619673956738
Energy: 0.602783122024324
Energy: 0.5778881218783842
Energy: 0.5999767942375492
Energy: 0.6008498796351209
Energy: 0.6189132504260682
Energy: 0.6002709900209728
Energy: 0.6004046463561598
Energy: 0.5976403262930285
Energy: 0.600540276992401
Energy: 0.5932984674017784
Energy: 0.5940989840632147
Energy: 0.6013520404088946
Energy: 0.6201452041909362
Energy: 0.5925656238841304
Energy: 0.6044939872774522
Energy: 0.5939221270995471
Energy: 0.6249972221140792
Energy: 0.6054375496467892
Energy: 0.5873520250460875
Energy: 0.6276082912281616
Energy: 0.6081034574437629
Energy: 0.580518757178513
Energy: 0.5803801571193544
Energy: 0.6084893161074656
Energy: 0.5812389697059852
Energy: 0.6010334193093845
Energy: 0.5834247482545295
Energy: 0.625650490835112
Energy: 0.5795467195852696
Energy: 0.6311406331642901
Energy: 0.5889076644965593
Energy: 0.5799228261549847
Energy: 0.7283439258993181
Energy: 0.694283173920057
Energy: 0.7043428261994499
Energy: 0.5911810663322357
Energy: 0.6617206832009364
Energy: 0.581470903608933
Energy: 0.5791181097346403
Energy: 0.6935721300456534
Energy: 0.6228161413941034
Energy: 0.5911793171942334
Energy: 0.6782494841656321
Energy: 0.5810582382977532
Energy: 0.5847916360916983
Energy: 0.5820837397163885
Energy: 0.5798903779806625
Energy: 0.6200790010132602
Energy: 0.587296735639128
Energy: 0.5797567818966688
Energy: 0.5801155291711754
Energy: 0.5803522655792542
Energy: 0.5802218300004346
Energy: 0.5801853314073739
Energy: 0.5808596355267048
Energy: 0.5810925125121666
Energy: 0.5811725457363173
Energy: 0.5800642002382472
Energy: 0.5805037343350734
Energy: 0.5814848183189822
Energy: 0.6149708850939362
Energy: 0.5803880123583868
Energy: 0.5802420484076726
Energy: 0.5837094632957024
Energy: 0.583846099982782
Energy: 0.5806843354993468
Energy: 0.5834107616625757
Energy: 0.5821585106055903
Energy: 0.5874338619538964
Energy: 0.6505911486830773
Energy: 0.6244805059788913
Energy: 0.5904320586361058
Energy: 0.6156045655984853
Energy: 0.5805941248227425
Energy: 0.7515266417461469
Energy: 0.6645151388417987
Energy: 0.6757328835594569
Energy: 0.5798985128849303
Energy: 0.6623667935719534
Energy: 0.5824100164750097
Energy: 0.6009324213360716
Energy: 0.5920278964503326
Energy: 0.5824293186596469
Energy: 0.586904902812728
Energy: 0.5981261895493813
Energy: 0.6236685648969312
Energy: 0.580035415566861
Energy: 0.6569118399474568
Energy: 0.5801860507151135
Energy: 0.5968417555797196
Energy: 0.5928464348621136
Energy: 0.5797626496858334
Energy: 0.66099890745311
Energy: 0.5782843177643384
Energy: 0.5782591487153701
Energy: 0.6619610435928925
Energy: 0.5782741257527326
Energy: 0.6208870072296789
Energy: 0.6136139466743942
Energy: 0.5807935880586756
Energy: 0.5815234707100627
Energy: 0.6137936566978496
Energy: 0.6048793919388589
Energy: 0.6311313330015642
Energy: 0.6217535405140766
Energy: 0.5816079019126663
Energy: 0.5824098649881598
Energy: 0.5795520345748971
Energy: 0.5812717870187492
Energy: 0.583940588935652
Energy: 0.6132819476626543
Energy: 0.5863194741265638
Energy: 0.5807969611560554
Energy: 0.6136547395696077
Energy: 0.5833120049235194
Energy: 0.5808669604464564
Energy: 0.6624529056343366
Energy: 0.5803460498824271
Energy: 0.5804221105617499
Energy: 0.6196334994753254
Energy: 0.5802541286708596
Energy: 0.5804842632934897
Energy: 0.6082465756820438
Energy: 0.5838685297943953
Energy: 0.5800435506208519
Energy: 0.5869516908943252
Energy: 0.6240907186395539
Energy: 0.5798247468853882
Energy: 0.7559509761303487
Energy: 0.6246305925152036
Energy: 0.5943180110549645
Energy: 0.6980831178111659
Energy: 0.5927140263771682
Energy: 0.611628500517637
Energy: 0.6972489003207253
Energy: 0.5796981682529958
Energy: 0.600763959325315
Energy: 0.7423720666449998
Energy: 0.5791064210156407
Energy: 0.648007059653842
Energy: 0.6062773324425799
Energy: 0.5844640339843954
Energy: 0.5802305744821703
Energy: 0.586695616743427
Energy: 0.6292573004367716
Energy: 0.5808965543909985
Energy: 0.8941685693586308
Energy: 0.6051118424116512
Energy: 0.6391807200893992
Energy: 0.6056808946683713
Energy: 0.6050231210754043
Energy: 0.6395276545628455
Energy: 0.606085510867594
Energy: 0.6064886996418554
Energy: 0.5797955515470544
Energy: 0.613632817442376
Energy: 0.6043322227817107
Energy: 0.6233708228996702
Energy: 0.6015773890905594
Energy: 0.6243504854542468
Energy: 0.5925903575303159
Energy: 0.6193449238269441
Energy: 0.6030696229581144
Energy: 0.5923790215331942
Energy: 0.6005277688741734
Energy: 0.5970264137354621
Energy: 0.5986286663332001
Energy: 0.6005991435543503
Energy: 0.6005033115767672
Energy: 0.6192161328019175
Energy: 0.6003267259333672
Energy: 0.5798803123389774
Energy: 0.5818767841623814
Energy: 0.6013762620241325
Energy: 0.578919127491012
Energy: 0.6019829642769016
Energy: 0.5796085497813296
Energy: 0.5803856225711287
Energy: 0.5802963690955648
Energy: 0.5797974335526029
Energy: 0.5800500866063226
Energy: 0.5802408758067806
Energy: 0.5787416342630989
Energy: 0.6327941270137772
Energy: 0.6248611582884588
Energy: 0.6274863383095487
Energy: 0.6067379679284989
Energy: 0.5813511340274263

minimum gb energy = 0.5778881218783842 eV
minimum distance =  2.5909546959298 Angstroms
sigma value = 81


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

Energy: 1.1720916950880431
Energy: 0.6700109310655243
Energy: 0.5983043566671328
Energy: 0.598214135948118
Energy: 0.669804955628085
Energy: 0.5982252239775896
Energy: 0.5979112109122756
Energy: 0.5797241223263547
Energy: 0.6273787779395492
Energy: 0.6040451240611473
Energy: 0.5797114132321222
Energy: 0.622206362890288
Energy: 0.5983131356494875
Energy: 0.5892649242924082
Energy: 0.5701060819818436
Energy: 0.5983242775288566
Energy: 0.569535793395445
Energy: 0.6149531539487536
Energy: 0.598685539896072
Energy: 0.5890056836291894
Energy: 0.6156987507893303
Energy: 0.5986986412921592
Energy: 0.5690039910187923
Energy: 0.5988291218723457
Energy: 0.5996416201216821
Energy: 0.6298567088438288
Energy: 0.6307764388811954
Energy: 0.5995902673951623
Energy: 0.5965392230080042
Energy: 0.6312282973701312
Energy: 0.5983111043768515
Energy: 0.6219909982528534
Energy: 0.6109538321353111
Energy: 0.5989402052310215
Energy: 0.5965808065489349
Energy: 0.5979085468499368
Energy: 0.5977314713977714
Energy: 0.5795846078144209
Energy: 0.5964248572440255
Energy: 0.6109142188263836
Energy: 0.6122608557336242
Energy: 0.5981395420015521
Energy: 0.7131190018229301
Energy: 0.7121960514347402
Energy: 0.6969272082165148
Energy: 0.6217288643490966
Energy: 0.7050813249941663
Energy: 0.5952971132189095
Energy: 0.5884650345795978
Energy: 0.5961652111858772
Energy: 0.5963614448803977
Energy: 0.6114855538452254
Energy: 0.5865071638090903
Energy: 0.6206507820290916
Energy: 0.6205372285640359
Energy: 0.5536484306425885
Energy: 0.553855171123309
Energy: 0.6203734248538513
Energy: 0.5534891351504636
Energy: 0.5538575205282105
Energy: 0.6187875429696257
Energy: 0.5535365314832221
Energy: 0.5533900205143708
Energy: 0.619277389026444
Energy: 0.5536568070178988
Energy: 0.5749105285847658
Energy: 0.5934578786244287
Energy: 0.5797267353685737
Energy: 0.5755845991626378
Energy: 0.5686329172664839
Energy: 0.5870310530947305
Energy: 0.6274814409054392
Energy: 0.5927035858711828
Energy: 0.6140569542546358
Energy: 0.6133697048953702
Energy: 0.5688841815745177
Energy: 0.6136658508701143
Energy: 0.5890108809535455
Energy: 0.6176492509784045
Energy: 0.5749705420213806
Energy: 0.6177056937766124
Energy: 0.6018155687828729
Energy: 0.5900084614984147
Energy: 0.6241276650664471
Energy: 0.7399817139499503
Energy: 0.5758192535902497
Energy: 0.6530616660192157
Energy: 0.6012432728456316
Energy: 0.5762669440278251
Energy: 0.6265190095741086
Energy: 0.6184148676118334
Energy: 0.6262366098876107
Energy: 0.6266373395610663
Energy: 0.595810887878645
Energy: 0.5981556691066735
Energy: 0.6327609213739327
Energy: 0.7309688998382787
Energy: 0.5732032210265647
Energy: 0.5726970863067685
Energy: 0.7317075324315419
Energy: 0.6207539729435726
Energy: 0.6341760935143346
Energy: 0.5825803251022161
Energy: 0.5814846417434835
Energy: 0.6019303507892753
Energy: 0.5884063725411839
Energy: 0.6110580423149654
Energy: 0.6022371864241002
Energy: 0.5558989678940154
Energy: 0.5807107523759225
Energy: 0.5532368561532424
Energy: 0.558522370688222
Energy: 0.5994537283236505
Energy: 0.5531771602793534
Energy: 0.5550647698129035
Energy: 0.6134412738785843
Energy: 0.5533712159034064
Energy: 0.5536152158378814
Energy: 0.6019233601604115
Energy: 0.553322807752055
Energy: 0.5823667079738054
Energy: 0.5815628246378929
Energy: 0.6026135001690289
Energy: 0.5884648748902509
Energy: 0.6106555926322996
Energy: 0.6046902920425963
Energy: 0.6138186438337583
Energy: 0.5876821181455675
Energy: 0.6578139105559637
Energy: 0.6137999331539256
Energy: 0.5691525236044821
Energy: 0.6356585092323238
Energy: 0.6121867529241589
Energy: 0.6242210989345669
Energy: 0.626338817478421
Energy: 0.6122374906107424
Energy: 0.59760871307496
Energy: 0.5806760507302127
Energy: 0.6140078671362398
Energy: 0.5761978402188612
Energy: 0.63029396727066
Energy: 0.5823655146191145
Energy: 0.576098725004657
Energy: 0.6300283456371789
Energy: 0.6167467227866218
Energy: 0.5961909948491525
Energy: 0.6233015995778957
Energy: 0.5857314983874902
Energy: 0.5913245237288406
Energy: 0.5756614611997563
Energy: 0.610713630506968
Energy: 0.6731774550061428
Energy: 0.640770897672674
Energy: 0.5960541726850906
Energy: 0.7303677021952695
Energy: 0.5960338936689399
Energy: 0.6103912532378543
Energy: 0.5798477003991597
Energy: 0.5960961839316018
Energy: 0.6217957375232697
Energy: 0.7349832748670353
Energy: 0.6261224388392622
Energy: 0.6162779496701343
Energy: 0.5538937125521641
Energy: 0.6171823266890608
Energy: 0.6166742770363337
Energy: 0.5539770162966129
Energy: 0.5747924661163017
Energy: 0.5944508118793952
Energy: 0.5542302614095969
Energy: 0.5542775728725463
Energy: 0.5950779222818711
Energy: 0.5540768399902678
Energy: 0.5539214140074618
Energy: 0.5927216409075041
Energy: 0.5747402518985062
Energy: 0.6277751194710015
Energy: 0.6114630508729186
Energy: 0.5863352244101833
Energy: 0.5754791184220598
Energy: 0.5926850451529365
Energy: 0.6948333438734455
Energy: 0.6668775878599964
Energy: 0.5712358556431466
Energy: 0.6307110933106365
Energy: 0.5873675882435739
Energy: 0.5950169847972341
Energy: 0.5760090932908213
Energy: 0.5763320947060923
Energy: 0.6110718375442453
Energy: 0.605064227509962
Energy: 0.575871572227262
Energy: 0.6052487230382156
Energy: 0.5760193889192027
Energy: 0.6204901583506468
Energy: 0.6201943998047746
Energy: 0.5757718756979858
Energy: 0.6203761226332996
Energy: 0.6059808612773384
Energy: 0.6258669098902399
Energy: 0.6258840008977883
Energy: 0.6059585278998254
Energy: 0.5756700325403831
Energy: 0.6248201719604918
Energy: 0.6038119927256539
Energy: 0.6223947381821038
Energy: 0.6218779857005574
Energy: 0.6053346171152321
Energy: 0.5949193801491269
Energy: 0.6214647519929473
Energy: 0.7542592295992401
Energy: 0.5727954318078645
Energy: 0.5731216646658328
Energy: 0.7529366701832633
Energy: 0.6202159351366701
Energy: 0.6602272578807001
Energy: 0.5982033489150274
Energy: 0.5797143024237648
Energy: 0.6269265650872694
Energy: 0.6039479736494852
Energy: 0.5798297853578042
Energy: 0.6189913546418142
Energy: 0.7063326072593893
Energy: 0.6109743440716527
Energy: 0.5986453789851749
Energy: 0.5691177117188483
Energy: 0.6060197794841964
Energy: 0.5986570558452416

minimum gb energy = 0.5531771602793534 eV
minimum distance =  2.55831140831908 Angstroms
sigma value = 43


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

Energy: 1.1424295935043873
Energy: 0.7413656149480655
Energy: 0.6741501210412384
Energy: 0.610085194772312
Energy: 0.7549347234674443
Energy: 0.61056461169746
Energy: 0.5898892602577437
Energy: 0.5788197471903985
Energy: 0.6232424840269141
Energy: 0.6387960743317417
Energy: 0.5861908309290178
Energy: 0.5897313383899943
Energy: 0.6043709876787124
Energy: 0.5775968321131513
Energy: 0.577907719476389
Energy: 0.5968376986272619
Energy: 0.5769849499805181
Energy: 0.5905308828330008
Energy: 0.5895739130990924
Energy: 0.5764609185687672
Energy: 0.5898142122797128
Energy: 0.5902326188248915
Energy: 0.6082114017696856
Energy: 0.5899290305313553
Energy: 0.5894212430424404
Energy: 0.6182215658619507
Energy: 0.6202051670062728
Energy: 0.5898289889699567
Energy: 0.5899561456537553
Energy: 0.6027672125969669
Energy: 0.5898135731751994
Energy: 0.5901355320426636
Energy: 0.6256472054596013
Energy: 0.5905300541837598
Energy: 0.5898317186031856
Energy: 0.6257669612272646
Energy: 0.5899752992284575
Energy: 0.5899585226359549
Energy: 0.590100577953968
Energy: 0.5900631654594891
Energy: 0.5899120092084924
Energy: 0.5900138366634374
Energy: 0.6097463411638206
Energy: 0.593249133759778
Energy: 0.5929305222726048
Energy: 0.575395841324746
Energy: 0.593477334876713
Energy: 0.6087545178406816
Energy: 0.586035799154285
Energy: 0.590024745820579
Energy: 0.5902248371204237
Energy: 0.5858896243007823
Energy: 0.5899769285695556
Energy: 0.5899410910278624
Energy: 0.7650149769777089
Energy: 0.5895170984185781
Energy: 0.5895759652902005
Energy: 0.7649568190328778
Energy: 0.5897317735143384
Energy: 0.5897215598851291
Energy: 0.5756195421610895
Energy: 0.5996887576057252
Energy: 0.5759307141720991
Energy: 0.5758006224865718
Energy: 0.5852277206257948
Energy: 0.619386508749734
Energy: 0.5960413041120003
Energy: 0.5897490311446428
Energy: 0.5897309123465336
Energy: 0.5755604375261023
Energy: 0.5901578148290111
Energy: 0.5899079453688135
Energy: 0.595414225097431
Energy: 0.591033112672912
Energy: 0.6009402301369776
Energy: 0.5769672910760193
Energy: 0.637224668125416
Energy: 0.6009472786335974
Energy: 0.575885059093825
Energy: 0.589861083347522
Energy: 0.6405571932917898
Energy: 0.5858748201292401
Energy: 0.5897144323434858
Energy: 0.6217500074146394
Energy: 0.5762809054988343
Energy: 0.5889063232608921
Energy: 0.5888759915151474
Energy: 0.5762832235884912
Energy: 0.575886519746174
Energy: 0.5893382856769398
Energy: 0.5759478575503023
Energy: 0.5893806932514498
Energy: 0.5748961422527799
Energy: 0.5771251557655314
Energy: 0.6397026324600993
Energy: 0.5749622773882725
Energy: 0.5813016131324644
Energy: 0.5810405686999389
Energy: 0.5810224024863467
Energy: 0.5811962793102504
Energy: 0.6221502968509461
Energy: 0.5811034759380548
Energy: 0.5806187083491712
Energy: 0.6289654429484421
Energy: 0.5766555685331145
Energy: 0.5933650940451796
Energy: 0.5922152225187595
Energy: 0.5753844274353583
Energy: 0.5860874653380682
Energy: 0.577461622411046
Energy: 0.5774582789897348
Energy: 0.5791986915357499
Energy: 0.5924796264715915
Energy: 0.588984481273504
Energy: 0.5859022357417345
Energy: 0.5778365994412515
Energy: 0.5778487942226983
Energy: 0.6506586617862578
Energy: 0.6039116837920647
Energy: 0.589129360293054
Energy: 0.5798359371410673
Energy: 0.5761020025109054
Energy: 0.602605224797277
Energy: 0.631428097153948
Energy: 0.5945060198131709
Energy: 0.5760041740686722
Energy: 0.7088212582550111
Energy: 0.6014248467780345
Energy: 0.6179030367321419
Energy: 0.7087501886483861
Energy: 0.5773725088891459
Energy: 0.6523332102332534
Energy: 0.6311833619487923
Energy: 0.5756098858093754
Energy: 0.5766227090934835
Energy: 0.6312322725772743
Energy: 0.5921528399296634
Energy: 0.5759696628676111
Energy: 0.6218584315104461
Energy: 0.5984262605426419
Energy: 0.5801884966043238
Energy: 0.5754637643215729
Energy: 0.5819527050900513
Energy: 0.5803505136578203
Energy: 0.6313563689386085
Energy: 0.5766349694491271
Energy: 0.5766226470969373
Energy: 0.5929754925914723
Energy: 0.5766686941134215
Energy: 0.5766578594351328
Energy: 0.6245415250278505
Energy: 0.5760624650275896
Energy: 0.5757741292857065
Energy: 0.5898773506613659
Energy: 0.5757454430667447
Energy: 0.5886592096513643
Energy: 0.6250971394958584
Energy: 0.5752502234712136
Energy: 0.5758017311376297
Energy: 0.5899098116450999
Energy: 0.5760585445519337
Energy: 0.5886210798089757
Energy: 0.6370607567179459
Energy: 0.6331176299416905
Energy: 0.5901419435500711
Energy: 0.590045392129647
Energy: 0.5853861677887018
Energy: 0.5896848489729684
Energy: 0.6291586441833676
Energy: 0.5903354025438031
Energy: 0.5904578496538967
Energy: 0.6292558107890699
Energy: 0.5747559561630537
Energy: 0.5899463384178415
Energy: 0.5901621584425255
Energy: 0.5965617217152716
Energy: 0.6637443655538203
Energy: 0.6381213894724674
Energy: 0.5859353950799931
Energy: 0.5897992778563433
Energy: 0.5760649829698881
Energy: 0.6796347884854561
Energy: 0.672400832988646
Energy: 0.6009388714964654
Energy: 0.6779505546552012
Energy: 0.628983304078468

minimum gb energy = 0.5747559561630537 eV
minimum distance =  2.51533076374735 Angstroms
sigma value = 57


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

Energy: 0.7269602186362194
Energy: 0.6440322251793225
Energy: 0.6249672687630731
Energy: 0.5743143609178104
Energy: 1.0381912191643186
Energy: 0.6251837221157367
Energy: 0.5844510165825274
Energy: 0.5946655776214325
Energy: 0.58573093322786
Energy: 0.5952458938113409
Energy: 0.59403335871702
Energy: 0.5880777752768568
Energy: 0.640723099454532
Energy: 0.5399233929577266
Energy: 0.5398906236698113
Energy: 0.6029702311717097
Energy: 0.5399780057329121
Energy: 0.5399778758738014
Energy: 0.5841225539941114
Energy: 0.5395257671926127
Energy: 0.539793044499879
Energy: 0.5846107681018401
Energy: 0.6075471033397798
Energy: 0.5843850248536309
Energy: 0.5845366585640959
Energy: 0.5606954503877355
Energy: 0.5631088463758673
Energy: 0.585207060259384
Energy: 0.5606652170118543
Energy: 0.5620146076748268
Energy: 0.5639405040745378
Energy: 0.5609095798505346
Energy: 0.563101389402642
Energy: 0.561588257416026
Energy: 0.584793156904098
Energy: 0.5625099630321516
Energy: 0.6038877964568012
Energy: 0.5843439336845417
Energy: 0.584444692140583
Energy: 0.6036868966144933
Energy: 0.5850388998611292
Energy: 0.5843906517108804
Energy: 0.5833869180686051
Energy: 0.5818058173877134
Energy: 0.5852742864924467
Energy: 0.5603365451853355
Energy: 0.5854288576281528
Energy: 0.5846435440146792
Energy: 0.595002509420149
Energy: 0.5849585640078625
Energy: 0.5849490255344341
Energy: 0.5949560384020723
Energy: 0.5947109995515035
Energy: 0.5883799782913802
Energy: 0.6372091521288402
Energy: 0.5830529907708266
Energy: 0.5829716868953688
Energy: 0.6372346602486655
Energy: 0.5832257920299684
Energy: 0.5830773780869564
Energy: 0.6406107115365246
Energy: 0.5603065379081078
Energy: 0.5844882775522957
Energy: 0.5947257791532307
Energy: 0.5936325776190743
Energy: 0.5839883078453755
Energy: 0.5399698580412824
Energy: 0.5946961291425171
Energy: 0.5845169064598708
Energy: 0.5414329850429491
Energy: 0.5998167498719724
Energy: 0.6203710432812336
Energy: 0.5395366260739769
Energy: 0.58574653708036
Energy: 0.6203264884814839
Energy: 0.5776723202898858
Energy: 0.6009766232098991
Energy: 0.6202196256288951
Energy: 0.7172530930581891
Energy: 0.5948478016998193
Energy: 0.5631590357329341
Energy: 0.594310438166264
Energy: 0.5959981127445592
Energy: 0.5844352966008712
Energy: 0.5854406216061301
Energy: 0.5405018264347434
Energy: 0.5400436034384616
Energy: 0.5854608479521364
Energy: 0.5399667822282201
Energy: 0.5734550321732539
Energy: 0.5849898675455344
Energy: 0.5806174495355628
Energy: 0.5805674830399451
Energy: 0.5847263364758469
Energy: 0.5963322892087065
Energy: 0.5846854199044123
Energy: 0.5847239763307086
Energy: 0.5608425043920926
Energy: 0.5612342644018201
Energy: 0.584797353423542
Energy: 0.5605721096127398
Energy: 0.5610488382667433
Energy: 0.5850693231718616
Energy: 0.585788333568587
Energy: 0.5620449901226908
Energy: 0.5853874156909179
Energy: 0.5858078743818831
Energy: 0.5618922621866548
Energy: 0.5949329319378424
Energy: 0.5844202733915549
Energy: 0.5842759068849095
Energy: 0.5952002671783218
Energy: 0.5856620747577032
Energy: 0.584514033014549
Energy: 0.5947527918610487
Energy: 0.5850488037456317
Energy: 0.5843556068909926
Energy: 0.5951500381736883
Energy: 0.5852337620178812
Energy: 0.5849319476417797
Energy: 0.5950639198940896
Energy: 0.6142018983186952
Energy: 0.6169554900638325
Energy: 0.5948111264012732
Energy: 0.596087266787356
Energy: 0.5842182070804313
Energy: 0.6431350037800309
Energy: 0.5829285432192837
Energy: 0.5831263389178412
Energy: 0.6430938348432932
Energy: 0.5829572377893218
Energy: 0.5826709258930353
Energy: 0.5863670111735773
Energy: 0.5949494364487602
Energy: 0.5851734396338718
Energy: 0.5938176105965669
Energy: 0.5959767073060855
Energy: 0.5842130316210578
Energy: 0.5395314623467033
Energy: 0.5866101830371458
Energy: 0.6203428393634289
Energy: 0.5774482031151875
Energy: 0.5931365810726328
Energy: 0.6201561543580476

minimum gb energy = 0.5395257671926127 eV
minimum distance =  2.55262423524245 Angstroms
sigma value = 17


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

Energy: 0.5322220610403754
Energy: 0.5910619647518874
Energy: 0.6674710348055476
Energy: 0.5612869692115936
Energy: 0.5909868810740302
Energy: 0.6176063392988403
Energy: 0.7118744360732882
Energy: 0.6343084048305474
Energy: 0.6342960785287313
Energy: 0.6427018122060922
Energy: 0.6520820999619598
Energy: 0.5915170458037119
Energy: 0.8066101195822374
Energy: 0.5752687401370615
Energy: 0.5612055355103648
Energy: 0.6347182119398161
Energy: 0.5613564664252421
Energy: 0.5614133410214966
Energy: 0.6340087792746266
Energy: 0.5613420771545928
Energy: 0.5612304774141011
Energy: 0.6341062857478922
Energy: 0.523976508085991
Energy: 0.6345186729623604
Energy: 0.5515157698370204
Energy: 0.5811318494375426
Energy: 0.5790927334817413
Energy: 0.5518843779541261
Energy: 0.5442202531676964
Energy: 0.585245258621908
Energy: 0.5614080352828984
Energy: 0.5434790639926483
Energy: 0.5789340750238715
Energy: 0.5887254349126558
Energy: 0.5438543185276131
Energy: 0.5909632507105479
Energy: 0.543927964833419
Energy: 0.5430065116787962
Energy: 0.5430517150132069
Energy: 0.5439372886612881
Energy: 0.545127388777487
Energy: 0.5664419206816056
Energy: 0.5437347268907603
Energy: 0.5908138493710466
Energy: 0.6125730769672975
Energy: 0.5901882073653294
Energy: 0.5900289163127931
Energy: 0.612309545355784
Energy: 0.5451133081745181
Energy: 0.5896815567207906
Energy: 0.5656397083759174
Energy: 0.5428426903265121
Energy: 0.5898673552698812
Energy: 0.5432871068023749
Energy: 0.5434322439083302
Energy: 0.5789932731296036
Energy: 0.5788874846165282
Energy: 0.543480687934961
Energy: 0.5848428146032308
Energy: 0.5788422025520101
Energy: 0.546220648052613
Energy: 0.5838598714229247
Energy: 0.579620058697084
Energy: 0.5443830317693148
Energy: 0.5518713981787642
Energy: 0.5795897816308793
Energy: 0.5519619262355268
Energy: 0.6340522554798862
Energy: 0.6340134701453678
Energy: 0.5522834878599584
Energy: 0.6340535617424535
Energy: 0.6341386152182509
Energy: 0.5515008107587331
Energy: 0.6346347046103712
Energy: 0.6350364661592307
Energy: 0.582845698206741
Energy: 0.634503718048407
Energy: 0.6351365674491405
Energy: 0.6441723410185534
Energy: 0.634072587616894
Energy: 0.634224995431745
Energy: 0.64394304583314
Energy: 0.634799295201982
Energy: 0.5848177517684033
Energy: 0.7161618931458338
Energy: 0.623061855855384
Energy: 0.6360813278259974
Energy: 0.6170660582158788
Energy: 0.6360669367366065
Energy: 0.6403862960371812
Energy: 0.712345908690769
Energy: 0.6519553619783517
Energy: 0.5904951566197058
Energy: 0.6473492838601062
Energy: 0.6426105173893163
Energy: 0.6344647486487707
Energy: 0.5246503205187636
Energy: 0.6342745097279159
Energy: 0.7063282438503986
Energy: 0.526160920381595
Energy: 0.6421000837309114
Energy: 0.7063265438299458

minimum gb energy = 0.523976508085991 eV
minimum distance =  2.55788054590578 Angstroms
sigma value = 17


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

Energy: 1.0548910735653378
Energy: 0.6386450413788568
Energy: 0.5931296386696877
Energy: 0.5552026088956282
Energy: 0.6390078012683995
Energy: 0.5888810686732215
Energy: 0.6831183664334808
Energy: 0.629973645459675
Energy: 0.630726669865844
Energy: 0.6293425278016573
Energy: 0.6320921658296652
Energy: 0.5561171753813552
Energy: 0.7580309188831184
Energy: 0.515583294760974
Energy: 0.5559570965836055
Energy: 0.6295959701232762
Energy: 0.517423393967708
Energy: 0.5640675801268914
Energy: 0.6332802005434672
Energy: 0.5608221479120881
Energy: 0.5643213884891881
Energy: 0.634120896601502
Energy: 0.5096834264438201
Energy: 0.563311037849599
Energy: 0.543732224376366
Energy: 0.5365367074377744
Energy: 0.5592625154149127
Energy: 0.5441988841623494
Energy: 0.5378032645475277
Energy: 0.5532966198767301
Energy: 0.4888040598625231
Energy: 0.5351589888889607
Energy: 0.5232189638371799
Energy: 0.5172076977461391
Energy: 0.5353483275591852
Energy: 0.5174622457577353
Energy: 0.4969638037220156
Energy: 0.541218507320399
Energy: 0.535129377002259
Energy: 0.506591018761604
Energy: 0.5373925566211007
Energy: 0.5372427775156702
Energy: 0.49810809638775283
Energy: 0.5378879920942209
Energy: 0.5424534951849069
Energy: 0.5330152213183371
Energy: 0.5383772500719936
Energy: 0.5419455432047783
Energy: 0.4984851392709537
Energy: 0.5428668496513093
Energy: 0.498331672821144
Energy: 0.4995098781680388
Energy: 0.5078147326383147
Energy: 0.4981022390264597
Energy: 0.4974291166605131
Energy: 0.5400442692023619
Energy: 0.5401640127177441
Energy: 0.4975546266443247
Energy: 0.5393010830251815
Energy: 0.5398448725491123
Energy: 0.5093042138764975
Energy: 0.4973466648434186
Energy: 0.5389077878486451
Energy: 0.5386414098584815
Energy: 0.4975991124685243
Energy: 0.5388956470038299
Energy: 0.49966731024820177
Energy: 0.49799482366781955
Energy: 0.4978998005145187
Energy: 0.5002906494523474
Energy: 0.5018426251485186
Energy: 0.5264166672334324
Energy: 0.5419204139429606
Energy: 0.5260746878430308
Energy: 0.5420895020249128
Energy: 0.5074128459616958
Energy: 0.5278947746292865
Energy: 0.542473687104496
Energy: 0.5358558689726842
Energy: 0.5299522421827763
Energy: 0.5468373215994902
Energy: 0.5357311437729535
Energy: 0.5069202678027748
Energy: 0.5351744583716026
Energy: 0.5349856714965697
Energy: 0.5508349988008581
Energy: 0.550288338218954
Energy: 0.534936294691639
Energy: 0.5508315065153466
Energy: 0.552376444717455
Energy: 0.7114972299159652
Energy: 0.545415455066324
Energy: 0.5586746387054276
Energy: 0.5369236131979825
Energy: 0.5449067235263967
Energy: 0.5593418304591975
Energy: 0.49817881073485776
Energy: 0.6305890477660162
Energy: 0.6307716409590346
Energy: 0.49903739528410823
Energy: 0.6368490399313532
Energy: 0.53440266919331
Energy: 0.49879311497698325
Energy: 0.6302964315838303
Energy: 0.6309409238355156
Energy: 0.4989924885449451
Energy: 0.6302068932682079
Energy: 0.5572200296448143
Energy: 0.7112180569376428
Energy: 0.6303958325804779
Energy: 0.5795297147559288
Energy: 0.6308595950715369
Energy: 0.5309840069353843
Energy: 0.559895907065603
Energy: 0.7579638296803611
Energy: 0.5486315808919424
Energy: 0.5518506405025996
Energy: 0.6360884435223968
Energy: 0.5613326765493223
Energy: 0.6191745944037771
Energy: 0.7582710412886966
Energy: 0.6300015581878063
Energy: 0.6307368328858823
Energy: 0.6315363611892179
Energy: 0.6307288143630534
Energy: 0.6300622614366466
Energy: 0.5061122359955491
Energy: 0.6312379251629128
Energy: 0.6956678302485381
Energy: 0.5083358369313229
Energy: 0.6299455380854917
Energy: 0.5639006194439612
Energy: 0.5085254196223062
Energy: 0.6303866609157532
Energy: 0.6303737360473223
Energy: 0.5094745997149367
Energy: 0.6345186437538812
Energy: 0.6885318195924904
Energy: 0.75695265172182
Energy: 0.5259700021468584
Energy: 0.6269802313902086
Energy: 0.6322485921910173
Energy: 0.5053162676521649
Energy: 0.6301104470849629
Energy: 0.6302420340976349
Energy: 0.5181097419897203
Energy: 0.556495721184919
Energy: 0.6304087609049711
Energy: 0.5179431616964946
Energy: 0.564013569168846
Energy: 0.5470110977421792
Energy: 0.5373881149534995
Energy: 0.5597915662149938
Energy: 0.547059536488816
Energy: 0.5378575548811948
Energy: 0.5600139301163373
Energy: 0.4884540268031098
Energy: 0.5373694538220221
Energy: 0.5356481929385818
Energy: 0.5469115664481249
Energy: 0.5670477173592063
Energy: 0.5314796141260607
Energy: 0.49332766057499755
Energy: 0.5404691140629524
Energy: 0.535487888145251
Energy: 0.48927776876699314
Energy: 0.5369845984591921
Energy: 0.535309518886367
Energy: 0.6185774264789362
Energy: 0.5428838853392878
Energy: 0.5436394184948844
Energy: 0.5262929988249232
Energy: 0.5063893339772044
Energy: 0.5440145895230161
Energy: 0.49787974299042376
Energy: 0.5381116224373291
Energy: 0.542843170188255
Energy: 0.4980167827282658
Energy: 0.5383854357463649
Energy: 0.5258768851362728
Energy: 0.501632350651078
Energy: 0.5427002618701957
Energy: 0.5436693056360125
Energy: 0.5025460339795467
Energy: 0.5406151811675092
Energy: 0.5226162830116712
Energy: 0.5098883749483412
Energy: 0.5427904615346627
Energy: 0.5437148834046748
Energy: 0.5427639751890517
Energy: 0.5418008684173762
Energy: 0.5435461949308996
Energy: 0.5058030798211216
Energy: 0.5022108864762861
Energy: 0.49810052657131876
Energy: 0.5063033735008767
Energy: 0.49853310826768416
Energy: 0.49761371125398585
Energy: 0.49745900574563595
Energy: 0.5429115566115382
Energy: 0.5461547776824291
Energy: 0.5461640217925812
Energy: 0.4974297011309558
Energy: 0.5473949385577312
Energy: 0.5409418329462425
Energy: 0.5299855000671566
Energy: 0.5465248791039521
Energy: 0.5352158305543994
Energy: 0.5295938245063567
Energy: 0.5479145039902429
Energy: 0.5429519440023683
Energy: 0.5434860180311244
Energy: 0.5590969056649545
Energy: 0.5353937290984212
Energy: 0.5437569067778407
Energy: 0.5352151346178285
Energy: 0.7112566765724369
Energy: 0.554179265325781
Energy: 0.5540693828255941
Energy: 0.5397159415831326
Energy: 0.5014978744540253
Energy: 0.5594376377594529
Energy: 0.5035450199629792
Energy: 0.6303876380181458
Energy: 0.6299931064722848
Energy: 0.5319880773800216
Energy: 0.6316696728206385
Energy: 0.560091262572947
Energy: 0.49748024813065644
Energy: 0.6176379014670725
Energy: 0.5686659808042487
Energy: 0.5353420615867949
Energy: 0.6302571073771442
Energy: 0.5623376463277331
Energy: 0.628975305924243
Energy: 0.6294955538865977
Energy: 0.6299465794749409
Energy: 0.545720624269095
Energy: 0.6322390262816897
Energy: 0.5816059834267244
Energy: 0.7174583375406199
Energy: 0.5359812855679812
Energy: 0.6129896417613282
Energy: 0.6313413673933534
Energy: 0.5547995953295665
Energy: 0.6298020826616583
Energy: 0.7556551370848388
Energy: 0.5847611437902034
Energy: 0.5530420108220435
Energy: 0.6326426089489404
Energy: 0.5318051544738139
Energy: 0.6300228228821797
Energy: 0.5100224629565384
Energy: 0.6304261398498705
Energy: 0.6305045273120782
Energy: 0.5107761704322177
Energy: 0.6338123030859345
Energy: 0.6839649409089537

minimum gb energy = 0.4884540268031098 eV
minimum distance =  2.54014234899532 Angstroms
sigma value = 57


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

Energy: 0.4656483376940026
Energy: 0.8338766571918252
Energy: 0.5666933495586366
Energy: 0.4854885849657801
Energy: 0.8859169402418667
Energy: 0.5620079403603498
Energy: 0.6518328994073365
Energy: 0.606130295251552
Energy: 0.5312519690209979
Energy: 0.6154838650439147
Energy: 0.6114985809146428
Energy: 0.5233948449631728
Energy: 0.7134069281863956
Energy: 0.5142872780081661
Energy: 0.5177367937010644
Energy: 0.5848431592265882
Energy: 0.5151636487691544
Energy: 0.5443416417275869
Energy: 0.6138943396802915
Energy: 0.5146914570055046
Energy: 0.5448282206129248
Energy: 0.6148259466584304
Energy: 0.46815162462575055
Energy: 0.551482893481925
Energy: 0.5168156778828505
Energy: 0.5280432367922796
Energy: 0.5292104197166522
Energy: 0.5167810877766092
Energy: 0.5252128895765215
Energy: 0.5206545289498519
Energy: 0.455039390478213
Energy: 0.5228061065236466
Energy: 0.49085032432341735
Energy: 0.49809187295828267
Energy: 0.5227175542435809
Energy: 0.5141010662209229
Energy: 0.6411912324348653
Energy: 0.5282856458348641
Energy: 0.5229264586242476
Energy: 0.4895605615996431
Energy: 0.5269878993721614
Energy: 0.5130299647362386
Energy: 0.6436683225808624
Energy: 0.49652275499264015
Energy: 0.4965062422426906
Energy: 0.530646898967835
Energy: 0.49677062985857234
Energy: 0.5053168150784779
Energy: 0.4809402507030569
Energy: 0.49894661160134135
Energy: 0.4785095010319037
Energy: 0.4821590079707373
Energy: 0.459423665295752
Energy: 0.47873866902945783
Energy: 0.4782863747280141
Energy: 0.5024106795543606
Energy: 0.5024361293368924
Energy: 0.47852027911585715
Energy: 0.5027177349470058
Energy: 0.5027609439732763
Energy: 0.46378707868983404
Energy: 0.4594270015930399
Energy: 0.49465985731042583
Energy: 0.4928919664161186
Energy: 0.45966438766979906
Energy: 0.4948047549963771
Energy: 0.48171747447102137
Energy: 0.46585389624084783
Energy: 0.4596571883640346
Energy: 0.4825795044081538
Energy: 0.463000460593886
Energy: 0.5173672400083262
Energy: 0.4811855892716568
Energy: 0.49994368582268733
Energy: 0.5006865174506075
Energy: 0.46218788561584373
Energy: 0.5241659275267038
Energy: 0.5007155935865267
Energy: 0.4599589394063825
Energy: 0.49701909551232976
Energy: 0.45942298722103025
Energy: 0.46148735749682596
Energy: 0.46864710169504203
Energy: 0.45950667191189093
Energy: 0.45910699687111595
Energy: 0.49494182646208273
Energy: 0.49491186933032133
Energy: 0.4591724376189723
Energy: 0.4952900522783039
Energy: 0.49481131454478333
Energy: 0.5617169863860765
Energy: 0.4787012629931595
Energy: 0.49998729534989583
Energy: 0.5006995879433808
Energy: 0.487631711380877
Energy: 0.49949313659121125
Energy: 0.4607810851790039
Energy: 0.48688080350353224
Energy: 0.4786181162912213
Energy: 0.46282122909564427
Energy: 0.48448537079018417
Energy: 0.4989920367951681
Energy: 0.46157122650266935
Energy: 0.5004631970277847
Energy: 0.513935485794426
Energy: 0.4624841477108015
Energy: 0.48261008178388143
Energy: 0.5045042806486507
Energy: 0.5234175559298989
Energy: 0.5050215021791804
Energy: 0.5226558367311579
Energy: 0.5246483132981378
Energy: 0.48958820569502626
Energy: 0.5228514088443691
Energy: 0.6744287176807799
Energy: 0.519212479728
Energy: 0.5179261028892116
Energy: 0.5226612731430212
Energy: 0.5112095185111764
Energy: 0.5241847798632199
Energy: 0.6755914739162795
Energy: 0.5306593488859921
Energy: 0.5372444256524105
Energy: 0.5242913762189993
Energy: 0.5285383642213418
Energy: 0.5378528484509312
Energy: 0.4598712292664985
Energy: 0.6100797191726094
Energy: 0.5228602287867863
Energy: 0.533145868886358
Energy: 0.6186193835549882
Energy: 0.5285537300718656
Energy: 0.48180834431665254
Energy: 0.6157541311328092
Energy: 0.6015519388046958
Energy: 0.48318294864273037
Energy: 0.6142036163854839
Energy: 0.597751740131397
Energy: 0.6717120866444487
Energy: 0.5227458064876761
Energy: 0.5205979358665432
Energy: 0.6040109251532053
Energy: 0.5153093311698025
Energy: 0.5405458636921231
Energy: 0.7173029120251098
Energy: 0.5086523706588325
Energy: 0.5163022156513343
Energy: 0.6083638524613532
Energy: 0.5239052964643007
Energy: 0.5959483148339622
Energy: 0.7147070153919168
Energy: 0.6147231189906883
Energy: 0.601440630744665
Energy: 0.612823618564306
Energy: 0.6142682049725353
Energy: 0.6088072852283157
Energy: 0.46396024406088726
Energy: 0.6186673256936986
Energy: 0.5521175070516817
Energy: 0.48952625525334875
Energy: 0.6222426918722048
Energy: 0.5528821657222832

minimum gb energy = 0.455039390478213 eV
minimum distance =  2.53837270719676 Angstroms
sigma value = 43


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

Energy: 0.4024759992941561
Energy: 0.5639471451329652
Energy: 0.5053308817827243
Energy: 0.44259889123171414
Energy: 0.6097058806210222
Energy: 0.4940194220443376
Energy: 0.5664422427449807
Energy: 0.4773801760637648
Energy: 0.4579324326250101
Energy: 0.5408895088423216
Energy: 0.47584406466965773
Energy: 0.44589563192649573
Energy: 0.6122489733136502
Energy: 0.4336283419300113
Energy: 0.42469379307842164
Energy: 0.5414487179378074
Energy: 0.49818057059110055
Energy: 0.43708182221938624
Energy: 0.5354548886138096
Energy: 0.44904762121584657
Energy: 0.4499365779537662
Energy: 0.4747452732651371
Energy: 0.44134027074517956
Energy: 0.49770006086614355
Energy: 0.5252118606900074
Energy: 0.47331252342495916
Energy: 0.4371590595310764
Energy: 0.5252040003137236
Energy: 0.47522386793582766
Energy: 0.4499443062006117
Energy: 0.3896910908174248
Energy: 0.472578265266159
Energy: 0.4237735599114345
Energy: 0.42407657701486023
Energy: 0.472629310665881
Energy: 0.4356340904319391
Energy: 0.5622975493036846
Energy: 0.4726653991342932
Energy: 0.47260753029080077
Energy: 0.4399437409268171
Energy: 0.47287042014979114
Energy: 0.4327579906470712
Energy: 0.5612687187961258
Energy: 0.4195760075914958
Energy: 0.4265938645570621
Energy: 0.44055599448639526
Energy: 0.4198910193849133
Energy: 0.42623624559302326
Energy: 0.43419559541500635
Energy: 0.42705875352530875
Energy: 0.43261352608386994
Energy: 0.4353562097242078
Energy: 0.3988871535176829
Energy: 0.4327433514684631
Energy: 0.43233672806293966
Energy: 0.42332571635236754
Energy: 0.42115288854019367
Energy: 0.4324906410808542
Energy: 0.4205644534333762
Energy: 0.42043987599723354
Energy: 0.3866099690688534
Energy: 0.40862737128184284
Energy: 0.42051402768827045
Energy: 0.4147399230771978
Energy: 0.40862953605283725
Energy: 0.41541547754708813
Energy: 0.4347032156264321
Energy: 0.4084369873732766
Energy: 0.40838672029027695
Energy: 0.4798065474413847
Energy: 0.40847702035498157
Energy: 0.4270089783175718
Energy: 0.5348944371147293
Energy: 0.4340787128244385
Energy: 0.4447661609161462
Energy: 0.5361424031814288
Energy: 0.43426315000661064
Energy: 0.44495215477710864
Energy: 0.3947007276102311
Energy: 0.4424363144653
Energy: 0.39428958836095307
Energy: 0.39580238433480763
Energy: 0.4101268865725999
Energy: 0.3945338397775007
Energy: 0.39409931802784914
Energy: 0.41145691331691847
Energy: 0.4116286640000848
Energy: 0.3941819905698103
Energy: 0.41132077729086947
Energy: 0.4131069894886809
Energy: 0.39073779620776633
Energy: 0.3880706842024437
Energy: 0.3881316529687042
Energy: 0.41133463076489496
Energy: 0.3880178334529061
Energy: 0.4103938866615626
Energy: 0.39707938769666634
Energy: 0.3879670049050656
Energy: 0.3877886090694685
Energy: 0.398377449599888
Energy: 0.38803873026705016
Energy: 0.4132233856539129
Energy: 0.5261783855439872
Energy: 0.4133176929513559
Energy: 0.4136584905272197
Energy: 0.4113474986661197
Energy: 0.4135152377645812
Energy: 0.4136635833561446
Energy: 0.3880123785880487
Energy: 0.4683059165253832
Energy: 0.38778327135717916
Energy: 0.38934113779291113
Energy: 0.3958322798095401
Energy: 0.3881092651471556
Energy: 0.5282447481068671
Energy: 0.4189119510738364
Energy: 0.4190742968200353
Energy: 0.5296601233748849
Energy: 0.4191426038162717
Energy: 0.4194332634646492
Energy: 0.4109618655287814
Energy: 0.394468328411416
Energy: 0.394378292265266
Energy: 0.4290235397965293
Energy: 0.39455171328377947
Energy: 0.4192286600167099
Energy: 0.390960858056337
Energy: 0.394493895365316
Energy: 0.3944203122134223
Energy: 0.41304660832611784
Energy: 0.39461205231462104
Energy: 0.4127919092530908
Energy: 0.4081800401048595
Energy: 0.4136262573635734
Energy: 0.41366331401079487
Energy: 0.4081815301916251
Energy: 0.41365726834219896
Energy: 0.41422768275170263
Energy: 0.40865892698794987
Energy: 0.45583428376586527
Energy: 0.40853407158722976
Energy: 0.4098829366342183
Energy: 0.4792886778156015
Energy: 0.40859025124890835
Energy: 0.5454432944778107
Energy: 0.43702998223463857
Energy: 0.44628825431428715
Energy: 0.44374631708263274
Energy: 0.43659804578641487
Energy: 0.44635667351934616
Energy: 0.5462930240130394
Energy: 0.4327659026453535
Energy: 0.4327155786539558
Energy: 0.4855659275476894
Energy: 0.4326785576977308
Energy: 0.4286632111549642
Energy: 0.38847166049387705
Energy: 0.4328853246042026
Energy: 0.4402286517823734
Energy: 0.41895179299940355
Energy: 0.4328610863894373
Energy: 0.42206989262587874
Energy: 0.5003289718381603
Energy: 0.4397761733076322
Energy: 0.4338968455993562
Energy: 0.500421554004216
Energy: 0.43493821265384847
Energy: 0.4349892479465393
Energy: 0.47450515117003284
Energy: 0.45667838730316146
Energy: 0.4727293492549069
Energy: 0.4758309745486368
Energy: 0.40848873381378903
Energy: 0.4727908934630949
Energy: 0.5863095047320881
Energy: 0.42658114687122795
Energy: 0.43684876865941
Energy: 0.47258917640587067
Energy: 0.4267637647416004
Energy: 0.42598141412307217
Energy: 0.5826242337569449
Energy: 0.47723510260964896
Energy: 0.4738139559833206
Energy: 0.4727413771088121
Energy: 0.47595988936361155
Energy: 0.4721965986183471
Energy: 0.3955030719072938
Energy: 0.5418983333424546
Energy: 0.45211845141107465
Energy: 0.434329777817912
Energy: 0.5414778091233939
Energy: 0.4359300991810911
Energy: 0.533583251455529
Energy: 0.5409648967315588
Energy: 0.5024573649627987
Energy: 0.4731691041577892
Energy: 0.5442119487396936
Energy: 0.5017163440121649
Energy: 0.5865995313697608
Energy: 0.45316240606731134
Energy: 0.454619022970166
Energy: 0.47461077163170545
Energy: 0.4669044609566359
Energy: 0.5406971203041443
Energy: 0.6161268691729284
Energy: 0.44439146844422917
Energy: 0.47594134139910593
Energy: 0.5415023444455179
Energy: 0.5461651917655369
Energy: 0.46308643935651617
Energy: 0.5672099858027803
Energy: 0.5409203436458266
Energy: 0.5075588695637423
Energy: 0.5408974202692716
Energy: 0.5436791727419588
Energy: 0.4989135373302674

minimum gb energy = 0.3866099690688534 eV
minimum distance =  2.54656017024091 Angstroms
sigma value = 81


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

Energy: 0.03223152994332834
Energy: 0.03251287614740587
Energy: 0.03261729088855209
Energy: 0.03385837868425373
Energy: 0.03303203780292918
Energy: 0.03252623855291049
Energy: 0.06068827827785182
Energy: 0.03289060401050568
Energy: 0.032876294036151506
Energy: 0.06009252812645898
Energy: 0.03404538211329492
Energy: 0.03271816306799614
Energy: 0.059963418829732607
Energy: 0.03254159109535355
Energy: 0.03282824975850063
Energy: 0.05983004581792377
Energy: 0.0327981933855177
Energy: 0.06058107138631944
Energy: 0.03396811979409538
Energy: 0.03277479806638849
Energy: 0.03239356921516232
Energy: 0.03265299959431253
Energy: 0.03260969195224554
Energy: 0.061120693783380885
Energy: 0.06060418826914389
Energy: 0.059892310169220926
Energy: 0.060019343013711014
Energy: 0.06147797851452322
Energy: 0.059893131720931206
Energy: 0.05998752388241455
Energy: 0.033009481999840704
Energy: 0.03268759151069988
Energy: 0.03268828466239621
Energy: 0.034511283436586666
Energy: 0.03269911250708121
Energy: 0.032690476618064554
Energy: 0.05995238473161189
Energy: 0.03288908197495402
Energy: 0.03259747540368037
Energy: 0.05997296820642179
Energy: 0.03277197476501419
Energy: 0.032756161765934835
Energy: 0.05999134460959157
Energy: 0.03256206338513645
Energy: 0.03269171233242618
Energy: 0.06004466535822763
Energy: 0.0325215802448719
Energy: 0.061166535373699864
Energy: 0.03348765461344032
Energy: 0.03262069083013377
Energy: 0.061902646551287015
Energy: 0.034919019894063145
Energy: 0.03261457577346117
Energy: 0.06195245101743157
Energy: 0.0326582488805462
Energy: 0.059801009692856046
Energy: 0.05978346860290271
Energy: 0.03255586998885474
Energy: 0.059797815328539665
Energy: 0.059908591121813196

minimum gb energy = 0.03223152994332834 eV
minimum distance =  2.70654273054704 Angstroms
sigma value = 3


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

Energy: 0.5262584368428644
Energy: 0.49593201474905163
Energy: 0.5122886932261161
Energy: 0.4552441690069147
Energy: 0.4958713575040808
Energy: 0.45637500482043464
Energy: 0.5074189534249927
Energy: 0.5023651013041757
Energy: 0.497009635006366
Energy: 0.48961267668227226
Energy: 0.5040184427784522
Energy: 0.4726027212502767
Energy: 0.5172668044267605
Energy: 0.42493025879849067
Energy: 0.42436520743770245
Energy: 0.5156928275467546
Energy: 0.46619934944354696
Energy: 0.42909899757078046
Energy: 0.46354203933280874
Energy: 0.4240030919911785
Energy: 0.4673034896030326
Energy: 0.46355102236361734
Energy: 0.4221550020576003
Energy: 0.4670927805644119
Energy: 0.4271622900915325
Energy: 0.5027357273646308
Energy: 0.51231281026939
Energy: 0.4272126395477865
Energy: 0.5078422277720258
Energy: 0.4726390755689224
Energy: 0.44145630185605544
Energy: 0.4558856807124907
Energy: 0.46028157211935705
Energy: 0.3980121812817292
Energy: 0.45644086403993506
Energy: 0.42476085667668445
Energy: 0.4646273040705859
Energy: 0.4321038507262673
Energy: 0.43382630351334894
Energy: 0.4639741120428936
Energy: 0.43479117026634634
Energy: 0.47109514199802
Energy: 0.463565774985807
Energy: 0.42805681630468206
Energy: 0.4282457934669824
Energy: 0.46381429838766014
Energy: 0.3987201830411673
Energy: 0.4267123407516066
Energy: 0.44701314106766626
Energy: 0.48520362959601765
Energy: 0.4983180085550973
Energy: 0.4459701019877285
Energy: 0.4007303970498366
Energy: 0.4988252455416253
Energy: 0.4034537731707866
Energy: 0.4324362519100566
Energy: 0.43139764250710333
Energy: 0.40348200622542296
Energy: 0.4339938486814255
Energy: 0.43143372409209546
Energy: 0.3818264492029239
Energy: 0.43425006195587434
Energy: 0.4325941091383287
Energy: 0.38242296844369683
Energy: 0.38445077033791014
Energy: 0.40206105414623633
Energy: 0.4031883130103335
Energy: 0.4912161916372861
Energy: 0.49012297954027956
Energy: 0.40305635665666406
Energy: 0.43579683992887586
Energy: 0.4024553622557165
Energy: 0.4029341709884691
Energy: 0.4607996614074268
Energy: 0.4470340190045778
Energy: 0.4032726030127737
Energy: 0.46116207798362835
Energy: 0.40544231078740245
Energy: 0.4630673873562069
Energy: 0.42580284236613053
Energy: 0.47506972443082995
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Energy: 0.38342662423415663
Energy: 0.47510378114266466
Energy: 0.3733881478453155
Energy: 0.3821991967278447
Energy: 0.3820921846957558
Energy: 0.37377361231971723
Energy: 0.386601193527974
Energy: 0.3821525596426801
Energy: 0.3737908111322107
Energy: 0.46377475575347826
Energy: 0.46498765301803663
Energy: 0.4637213650296938
Energy: 0.46148999231664684
Energy: 0.46528548981580575
Energy: 0.3760248395226134
Energy: 0.4650792126187123
Energy: 0.46320687527508897
Energy: 0.372044993715209
Energy: 0.4633906334264981
Energy: 0.3717120413366508
Energy: 0.3718819895410099
Energy: 0.4599801486838823
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Energy: 0.37190657558632606
Energy: 0.4604543882120849
Energy: 0.4603889611724671
Energy: 0.462256480410855
Energy: 0.41986837346585615
Energy: 0.4599322584337977
Energy: 0.460744702706288
Energy: 0.420157669621051
Energy: 0.4600676200601114
Energy: 0.4623365793094838
Energy: 0.3717416505609429
Energy: 0.3715091096637784
Energy: 0.46292471736046975
Energy: 0.3754950652721663
Energy: 0.37167745032954974
Energy: 0.4619424858969082
Energy: 0.46338370519667976
Energy: 0.46476207666373276
Energy: 0.4624086185373182
Energy: 0.37374089711971126
Energy: 0.46449281482522903
Energy: 0.3876151892513191
Energy: 0.46337390902213893
Energy: 0.38432980592334387
Energy: 0.38235671655222037
Energy: 0.4733991665382754
Energy: 0.3822711887308196
Energy: 0.3823377349346628
Energy: 0.47596097828991607
Energy: 0.47653927452649036
Energy: 0.382342125516462
Energy: 0.4764653514649884
Energy: 0.4739473793342279
Energy: 0.37500294253771826
Energy: 0.4045761572877017
Energy: 0.4054122706307034
Energy: 0.38925461882568607
Energy: 0.403858395046937
Energy: 0.39063600243025964
Energy: 0.3852616915448374
Energy: 0.4029962558975554
Energy: 0.4025267788788119
Energy: 0.385130177084368
Energy: 0.4044384530105299
Energy: 0.4026411950007033
Energy: 0.4254055147929116
Energy: 0.476661080569747
Energy: 0.4163656163771611
Energy: 0.3832415681136778
Energy: 0.46294127927671663
Energy: 0.4318898574598425
Energy: 0.4337869651444486
Energy: 0.4766633253074327
Energy: 0.4488838962811366
Energy: 0.4336567719747555
Energy: 0.39089700354703677
Energy: 0.4320057961915482
Energy: 0.41415406689260065
Energy: 0.4566952643855206
Energy: 0.45746561566775634
Energy: 0.41413795146931004
Energy: 0.45724684117765746
Energy: 0.4987888792429635
Energy: 0.38935717040699985
Energy: 0.4649829113605775
Energy: 0.4454179872198015
Energy: 0.3878294035416752
Energy: 0.46459838963711236
Energy: 0.4117543310295626
Energy: 0.4346865863537794
Energy: 0.463850143288139
Energy: 0.47332917176771283
Energy: 0.43477902468595986
Energy: 0.4680039868566831
Energy: 0.5063949273293681
Energy: 0.43062639798404934
Energy: 0.4384286664804742
Energy: 0.4392208684250965
Energy: 0.43135885816596153
Energy: 0.4095527279096324
Energy: 0.4401327885911495
Energy: 0.5178519681060638
Energy: 0.49221884730194876
Energy: 0.41582866946730507
Energy: 0.5066568162086268
Energy: 0.41089377816228717
Energy: 0.43305580738054633
Energy: 0.4390382182496868
Energy: 0.4634065406842224
Energy: 0.4631645570829906
Energy: 0.43896274481468134
Energy: 0.46751767621613244
Energy: 0.48716825933022845

minimum gb energy = 0.3715091096637784 eV
minimum distance =  2.51766675815856 Angstroms
sigma value = 67


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

Energy: 0.5426193011729282
Energy: 0.5977991966420874
Energy: 0.5927626042760431
Energy: 0.53577517742173
Energy: 0.5994796630116621
Energy: 0.5172682565640921
Energy: 0.6238267722472056
Energy: 0.5871708031476041
Energy: 0.5872838980957295
Energy: 0.5507692530525391
Energy: 0.587360452565963
Energy: 0.5869508498766691
Energy: 0.6064210361786879
Energy: 0.5290621454953178
Energy: 0.49857001313957466
Energy: 0.6070763567600869
Energy: 0.5298080005897411
Energy: 0.5487925551546354
Energy: 0.552124882269814
Energy: 0.5343059225945678
Energy: 0.4956386518499181
Energy: 0.5531630929488204
Energy: 0.4940950867602562
Energy: 0.49977554888291953
Energy: 0.5477451665005494
Energy: 0.5873108370175499
Energy: 0.5369161982804534
Energy: 0.5476646851356443
Energy: 0.5874888336497209
Energy: 0.5388022477545842
Energy: 0.4685957986629182
Energy: 0.5496305870262315
Energy: 0.5462907679199097
Energy: 0.49927280914636846
Energy: 0.5493995690751294
Energy: 0.5457373393695842
Energy: 0.5542053457483804
Energy: 0.49915081975136183
Energy: 0.4997189301081943
Energy: 0.554680786765166
Energy: 0.4991786964402573
Energy: 0.49845875701148035
Energy: 0.5500214590619057
Energy: 0.5788575351433689
Energy: 0.49584935591040336
Energy: 0.5499781641711374
Energy: 0.46843191776755166
Energy: 0.5493629262671215
Energy: 0.46681538472735623
Energy: 0.531303667122426
Energy: 0.5315604251228768
Energy: 0.4682614728280741
Energy: 0.49524865293173975
Energy: 0.5309912824959493
Energy: 0.4669978071498109
Energy: 0.5003794619814471
Energy: 0.49615836443734357
Energy: 0.46675267987236385
Energy: 0.4973370832876832
Energy: 0.4958420802252974
Energy: 0.468357184899643
Energy: 0.5323509667144488
Energy: 0.4981342953435147
Energy: 0.46752343962197634
Energy: 0.5259505383960433
Energy: 0.5486524931181298
Energy: 0.4704685381738594
Energy: 0.5790181560029806
Energy: 0.5782493184574762
Energy: 0.47071398436662965
Energy: 0.49894029896957154
Energy: 0.46599730570901354
Energy: 0.47249180552166087
Energy: 0.5776934909239569
Energy: 0.5760644040775331
Energy: 0.4657353527110066
Energy: 0.47010320674165196
Energy: 0.4655904032816405
Energy: 0.49400695058319194
Energy: 0.5185276691801376
Energy: 0.5755354417423432
Energy: 0.4675551943522421
Energy: 0.518109942665236
Energy: 0.5751776989784174
Energy: 0.5188879184690577
Energy: 0.46989872080317424
Energy: 0.46597787190002016
Energy: 0.5189878178320324
Energy: 0.46720728286316954
Energy: 0.46581918959488167
Energy: 0.5190293023402028
Energy: 0.5851353904506207
Energy: 0.5813551349438242
Energy: 0.47125700502710144
Energy: 0.4656502109434576
Energy: 0.5789713566069756
Energy: 0.5016765886233446
Energy: 0.5774577767671315
Energy: 0.5256512098061732
Energy: 0.5023461532232528
Energy: 0.4622617436303381
Energy: 0.49617343640230127
Energy: 0.4966447798853482
Energy: 0.532091223318793
Energy: 0.5320769944743068
Energy: 0.4953102413328775
Energy: 0.5306862042036286
Energy: 0.4982558372701703
Energy: 0.45716282814236175
Energy: 0.46666025650849696
Energy: 0.5194194315691231
Energy: 0.4769808462765263
Energy: 0.4662397049307159
Energy: 0.5179738458876525
Energy: 0.4959238044665444
Energy: 0.5526022425525478
Energy: 0.5006887565853572
Energy: 0.49589349324466825
Energy: 0.5515080353555686
Energy: 0.49964517102860084
Energy: 0.5009277233221398
Energy: 0.4757495228397894
Energy: 0.4758719246659655
Energy: 0.5009070636753761
Energy: 0.4723657340290968
Energy: 0.47995099920617235
Energy: 0.6066770922402409
Energy: 0.5836152782916931
Energy: 0.47262350278461546
Energy: 0.6070472383507054
Energy: 0.5826555028511279
Energy: 0.5315664539789623
Energy: 0.5750072007757032
Energy: 0.5534291979209235
Energy: 0.5478791952771442
Energy: 0.5751084214463655
Energy: 0.5521463246927577
Energy: 0.5477355522686397

minimum gb energy = 0.45716282814236175 eV
minimum distance =  2.53164443809016 Angstroms
sigma value = 33


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

Energy: 0.9847683702971937
Energy: 0.5998729984774653
Energy: 0.6159726611764652
Energy: 0.5856321202771106
Energy: 0.5999242541181163
Energy: 0.6525558611757629
Energy: 0.6634029572366255
Energy: 0.5905654939962792
Energy: 0.5914379775811045
Energy: 0.5941508103162401
Energy: 0.59133523667543
Energy: 0.5891596102285868
Energy: 0.6930166419547245
Energy: 0.5757813050294052
Energy: 0.5332160814039605
Energy: 0.6924212172235731
Energy: 0.6066970132297187
Energy: 0.5901962242257104
Energy: 0.5907389927280643
Energy: 0.5596352659514034
Energy: 0.5348753179637926
Energy: 0.5917490281611975
Energy: 0.5864918291011121
Energy: 0.5332430601124002
Energy: 0.5886809285738099
Energy: 0.5904312347924321
Energy: 0.5912698033691616
Energy: 0.5886645029520314
Energy: 0.5902485517768615
Energy: 0.535666792458754
Energy: 0.5267478833692001
Energy: 0.5272716545170503
Energy: 0.5278884173218072
Energy: 0.5319943266280526
Energy: 0.5273771200728231
Energy: 0.5882049858987978
Energy: 0.5893330724126441
Energy: 0.528340569159237
Energy: 0.5286300057605824
Energy: 0.5894710319059281
Energy: 0.5278692889365537
Energy: 0.5338546431122201
Energy: 0.5890840850594269
Energy: 0.5276622902608558
Energy: 0.5355842613368873
Energy: 0.5892703372363282
Energy: 0.5312303372219849
Energy: 0.5894443300030463
Energy: 0.5277053743667732
Energy: 0.5293926476788742
Energy: 0.6548890721932441
Energy: 0.5353305637256975
Energy: 0.5278329444616361
Energy: 0.6591845308279469
Energy: 0.5278359510062097
Energy: 0.5275652381906336
Energy: 0.5277106511560223
Energy: 0.5283276529091209
Energy: 0.5289553011503013
Energy: 0.5272332137594443
Energy: 0.5667294942376057
Energy: 0.5433807008196172
Energy: 0.5986525275245517
Energy: 0.5307985497106266
Energy: 0.5281028046761829
Energy: 0.6416983317545608
Energy: 0.5274121446302859
Energy: 0.6463604225234268
Energy: 0.527362219306542
Energy: 0.5274173191571021
Energy: 0.6404720031604614
Energy: 0.5273328457290254
Energy: 0.5274468507271535
Energy: 0.5837859025323847
Energy: 0.5390091864748561
Energy: 0.527662879763663
Energy: 0.5351919270460449
Energy: 0.5275494675870941
Energy: 0.510920532438264
Energy: 0.5670428054070047
Energy: 0.5340814616242258
Energy: 0.5150259088727135
Energy: 0.5673845991249111
Energy: 0.5425997608527932
Energy: 0.5111970762090088
Energy: 0.5895496141755734
Energy: 0.589287415606325
Energy: 0.5112632717825699
Energy: 0.590781195465016
Energy: 0.5334717914024081
Energy: 0.5342852421572698
Energy: 0.510818888218226
Energy: 0.520024321320624
Energy: 0.5342590669651274
Energy: 0.5422281028875492
Energy: 0.5357890976090833
Energy: 0.6914021286155327
Energy: 0.5420815331080452
Energy: 0.5133441318413157
Energy: 0.6918671413468617
Energy: 0.5460648030976731
Energy: 0.5773053676370432
Energy: 0.6630546407004975
Energy: 0.5889186878917941
Energy: 0.5888044991097166
Energy: 0.5929414793991782
Energy: 0.58998876635614
Energy: 0.6614186981271163
Energy: 0.5418722774210687
Energy: 0.5940350630911946
Energy: 0.542702721932254
Energy: 0.5483544673197595
Energy: 0.5948655234345759
Energy: 0.5758571803046277
Energy: 0.6317961272426977
Energy: 0.5904149104190498
Energy: 0.5912331602736548
Energy: 0.6317697046246621
Energy: 0.5902825994260434
Energy: 0.5926519333631188
Energy: 0.7135161545147182
Energy: 0.5593857185481182
Energy: 0.5335334230127242
Energy: 0.6923161488043015
Energy: 0.6580588423685865
Energy: 0.589811282759525
Energy: 0.5895475539952121
Energy: 0.5929506835120256
Energy: 0.5331948752114359
Energy: 0.5900423313616592
Energy: 0.6059749600666402
Energy: 0.5347410639425335
Energy: 0.5887605189719048
Energy: 0.5906130977186187
Energy: 0.5918549438050331
Energy: 0.5886703054003631
Energy: 0.5911435992882603
Energy: 0.5356422285412881
Energy: 0.5265890945632141
Energy: 0.527507656528668
Energy: 0.5275789202828778
Energy: 0.6000782976386779
Energy: 0.5273544610372497
Energy: 0.5881791554028886
Energy: 0.589232752037501
Energy: 0.5280129562233864
Energy: 0.5285041336801071
Energy: 0.589288773019044
Energy: 0.5290120400900862
Energy: 0.5292976682015669
Energy: 0.5949915397326092
Energy: 0.5276510121748864
Energy: 0.5360790033493464
Energy: 0.5893695015172331
Energy: 0.5306288554522698
Energy: 0.589281205650464
Energy: 0.5274756018285145
Energy: 0.6015508623402818
Energy: 0.5813127340648804
Energy: 0.5281773571294014
Energy: 0.5278570457125767
Energy: 0.5815562048607275
Energy: 0.5275028420591538
Energy: 0.5275849645880141
Energy: 0.527710770750331
Energy: 0.5280357942133439
Energy: 0.529735011860551
Energy: 0.5272410836744951
Energy: 0.5668117872797406
Energy: 0.5287378163134492
Energy: 0.5990920861091963
Energy: 0.5323112573931692
Energy: 0.5282965114277662
Energy: 0.6423893901799093
Energy: 0.5271789332842437
Energy: 0.5992018351753543
Energy: 0.5988730294153644
Energy: 0.5272310561253156
Energy: 0.6376589629627554
Energy: 0.5274284084394029
Energy: 0.5276885016133893
Energy: 0.5838329079764814
Energy: 0.5278004244907242
Energy: 0.527713302810872
Energy: 0.5352018839406388
Energy: 0.5274939608699168
Energy: 0.5109817202529788
Energy: 0.5336545747626149
Energy: 0.5338783019750127
Energy: 0.5143786736961315
Energy: 0.5673633238705816
Energy: 0.6447013487689368
Energy: 0.5112254047493459
Energy: 0.5893180281767257
Energy: 0.5892917005444174
Energy: 0.5114571524755823
Energy: 0.5914129896444307
Energy: 0.5335435064492504
Energy: 0.5357800369410589
Energy: 0.5426504043432863
Energy: 0.5281642123805182
Energy: 0.5359101220445347
Energy: 0.5421287213508591
Energy: 0.5296255070423634
Energy: 0.6933922704598823
Energy: 0.5423452077517952
Energy: 0.5143245188309449
Energy: 0.6933915850726039
Energy: 0.5105753935552204
Energy: 0.5772836267643292
Energy: 0.6633463367158393
Energy: 0.5888141430621876
Energy: 0.5887081332787003
Energy: 0.5930520669219885
Energy: 0.5886845070002095
Energy: 0.5352144639360871
Energy: 0.5421176573321121
Energy: 0.5938579515420623
Energy: 0.5423993005376846
Energy: 0.5458262015377936
Energy: 0.593902914101725
Energy: 0.5752179192930186

minimum gb energy = 0.5105753935552204 eV
minimum distance =  2.53329260602499 Angstroms
sigma value = 41


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

Energy: 0.9028487875933873
Energy: 0.7624822980322817
Energy: 0.8463075608222429
Energy: 0.7474210478255429
Energy: 0.7624737548277565
Energy: 0.8460817810237111
Energy: 0.7155196537657199
Energy: 0.6273128883606367
Energy: 0.6284279559339415
Energy: 0.6385318731854541
Energy: 0.6272101882109582
Energy: 0.62655921687003
Energy: 0.724693220673491
Energy: 0.5998988206383987
Energy: 0.6363931275919972
Energy: 0.7248494459380798
Energy: 0.6279228145850015
Energy: 0.6265937351964252
Energy: 0.6415160196764996
Energy: 0.6267247692053833
Energy: 0.6830028910543325
Energy: 0.6417746110685597
Energy: 0.6245861374138788
Energy: 0.6278170931489903
Energy: 0.6260039430124701
Energy: 0.627986258818755
Energy: 0.627872516027527
Energy: 0.6260506657021399
Energy: 0.6274344655797445
Energy: 0.6002579496949693
Energy: 0.6648303661513245
Energy: 0.6690533192153958
Energy: 0.6666606170079974
Energy: 0.599220811829483
Energy: 0.6689196991726188
Energy: 0.6380198155743309
Energy: 0.6265650859187593
Energy: 0.6118443500659192
Energy: 0.6097326170582245
Energy: 0.6250670090174381
Energy: 0.6106959697773267
Energy: 0.6260832880778212
Energy: 0.6283459599274378
Energy: 0.5991211649901664
Energy: 0.6263397004559351
Energy: 0.6293210905271052
Energy: 0.5995632695073707
Energy: 0.6258775616743343
Energy: 0.7173333574917641
Energy: 0.6104601033579445
Energy: 0.7311336758915304
Energy: 0.7188819626658207
Energy: 0.6264053683815594
Energy: 0.5984009144188017
Energy: 0.6258467132753776
Energy: 0.6305897378881336
Energy: 0.6257455442731008
Energy: 0.6267713549347945
Energy: 0.6267933191335529
Energy: 0.6261616774738297
Energy: 0.637045438184171
Energy: 0.6262149115323655
Energy: 0.6106221268638824
Energy: 0.6379243393757661
Energy: 0.5829769560276401
Energy: 0.60077497716137
Energy: 0.721714310696524
Energy: 0.6698955631181109
Energy: 0.6674281365758562
Energy: 0.7220498892221352
Energy: 0.5833314912151167
Energy: 0.7061629446410478
Energy: 0.716086843250311
Energy: 0.6266469138698164
Energy: 0.6265220372338313
Energy: 0.6386454897930539
Energy: 0.6259093101371195
Energy: 0.6263692408414678
Energy: 0.5830081592014351
Energy: 0.6378434168843747
Energy: 0.5842390361564381
Energy: 0.5881001026088333
Energy: 0.6376999753041505
Energy: 0.5839816540239293

minimum gb energy = 0.5829769560276401 eV
minimum distance =  2.54766668199557 Angstroms
sigma value = 11


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

Energy: 1.15299831257418
Energy: 0.7901620085236424
Energy: 0.7763349775882012
Energy: 0.8417805301004664
Energy: 0.7901245534145556
Energy: 0.724655070067371
Energy: 0.8335672478699938
Energy: 0.6858835734726373
Energy: 0.6857988750562823
Energy: 0.7514611602524294
Energy: 0.6860042115677708
Energy: 0.6859804833417582
Energy: 0.8664302450990407
Energy: 0.7337394068555467
Energy: 0.7324409604226249
Energy: 0.8672819437915886
Energy: 0.6882152786982181
Energy: 0.7340138278023937
Energy: 0.7493411849576311
Energy: 0.6732843706860333
Energy: 0.7131279995795226
Energy: 0.749375173270171
Energy: 0.7180240845384472
Energy: 0.710629835994346
Energy: 0.7502435591334841
Energy: 0.6861080490599419
Energy: 0.6857632454365092
Energy: 0.74982645808016
Energy: 0.6863657104222451
Energy: 0.6856726436758592
Energy: 0.7491318221044777
Energy: 0.7021621929557484
Energy: 0.7018389870113595
Energy: 0.729808770468555
Energy: 0.7020294423161153
Energy: 0.7127623997637166
Energy: 0.7018023343661368
Energy: 0.7115694905506443
Energy: 0.7028516742836202
Energy: 0.7018688794009954
Energy: 0.6761300106697514
Energy: 0.7017861083028176
Energy: 0.69443773032405
Energy: 0.7216231397791963
Energy: 0.6869122316407066
Energy: 0.6865872705730514
Energy: 0.7495489295753534
Energy: 0.6857681269630826
Energy: 0.7072930092253388
Energy: 0.699914889548978
Energy: 0.711080962159147
Energy: 0.7022849033588973
Energy: 0.7209898904155124
Energy: 0.7083908860721165
Energy: 0.6898222276646139
Energy: 0.734057109375961
Energy: 0.7363017282362423
Energy: 0.7082998735571016
Energy: 0.774625892087214
Energy: 0.6763207230483665
Energy: 0.6942302395518466
Energy: 0.7072100195864617
Energy: 0.6856993806839922
Energy: 0.6863964905009503
Energy: 0.7067373674015776
Energy: 0.6857447950927069
Energy: 0.6944457290625655
Energy: 0.732200658711191
Energy: 0.7285335162456827
Energy: 0.6949486946285587
Energy: 0.7332459733638593
Energy: 0.7768606485042993
Energy: 0.685686253457975
Energy: 0.7490099198221607
Energy: 0.7494797832272211
Energy: 0.685734825927249
Energy: 0.7518466012849748
Energy: 0.6863042298482265
Energy: 0.7065126987686025
Energy: 0.7468638430646652
Energy: 0.7557065706156306
Energy: 0.6954689501268333
Energy: 0.8650514144871857
Energy: 0.7336703551260321
Energy: 0.6743137052547414
Energy: 0.7138164271076768
Energy: 0.7468135902892127
Energy: 0.6741823851399646
Energy: 0.749663418178604
Energy: 0.6741037429394909
Energy: 0.6745168115097094
Energy: 0.7273446109396323
Energy: 0.6746003920776481
Energy: 0.6758305495212373
Energy: 0.713438430868729
Energy: 0.6738439066210428
Energy: 0.6739408795305842
Energy: 0.7080803388884259
Energy: 0.7207288980976373
Energy: 0.6739548628084729
Energy: 0.7076856058672333
Energy: 0.6896690520035113
Energy: 0.7223238878857328
Energy: 0.7694079678283096
Energy: 0.7696180530888124
Energy: 0.7115469102399448
Energy: 0.7707940207413531
Energy: 0.7209086269807522
Energy: 0.7071217695252854
Energy: 0.7075069767051557
Energy: 0.6984191332834666
Energy: 0.7072082985189937
Energy: 0.7092060082763884
Energy: 0.7275169947049279
Energy: 0.7343329687920591
Energy: 0.7351386776253261
Energy: 0.7364665482984437
Energy: 0.7342548089131163
Energy: 0.7368660756379942
Energy: 0.7266622993334023
Energy: 0.7571183186565983
Energy: 0.6758114778909623
Energy: 0.7259298785340845
Energy: 0.7487466433866543
Energy: 0.6756515675082708
Energy: 0.7142471317109761
Energy: 0.6935560093287293
Energy: 0.698325502155041
Energy: 0.7158926374990986
Energy: 0.6851664569145621
Energy: 0.7100484348393157
Energy: 0.7137987891653079
Energy: 0.6913752706278345
Energy: 0.719770008138639
Energy: 0.7535577442830872
Energy: 0.7201102220108146
Energy: 0.7343096479216317
Energy: 0.7332162429140452
Energy: 0.7457801275360288
Energy: 0.7075368746558862
Energy: 0.7537558435641529
Energy: 0.7086669960435662
Energy: 0.7072325089758368
Energy: 0.7074985656031872
Energy: 0.7681041070392599
Energy: 0.7208304178539514
Energy: 0.7220082161424587
Energy: 0.7693444131327696
Energy: 0.6932891178400519
Energy: 0.7450496528550222
Energy: 0.779354001687346
Energy: 0.6739606484909941
Energy: 0.6853067235929272
Energy: 0.7076332557075306
Energy: 0.6739112080232436
Energy: 0.7216269747795602
Energy: 0.779292472520654
Energy: 0.6739181408681508
Energy: 0.6738749330467854
Energy: 0.75178120968425
Energy: 0.6764063137174546
Energy: 0.6741065565476043
Energy: 0.7797383580000785
Energy: 0.6743472671730518
Energy: 0.6898023132127333
Energy: 0.749384711451984
Energy: 0.6741083893810722
Energy: 0.6748699161790634
Energy: 0.8003523708496497
Energy: 0.7251124748609737
Energy: 0.7256959815191902
Energy: 0.7889323296230025
Energy: 0.7332579475465519
Energy: 0.7453138019532597
Energy: 0.8326479255326514
Energy: 0.6857854539233992
Energy: 0.6867119665328064
Energy: 0.7509479202293026
Energy: 0.6858042530700286
Energy: 0.7762126764870491
Energy: 0.6769315908871921
Energy: 0.6943448507220059
Energy: 0.7769523834514349
Energy: 0.7360942773154308
Energy: 0.6958149294629837
Energy: 0.7245350250534955

minimum gb energy = 0.6732843706860333 eV
minimum distance =  2.53065460005348 Angstroms
sigma value = 57


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

Energy: 1.0321083924226702
Energy: 0.6825749393334481
Energy: 0.8152926078662119
Energy: 0.8150116989046308
Energy: 1.096782772395127
Energy: 0.8149034333299384
Energy: 0.7634803589198649
Energy: 0.6826942260521722
Energy: 0.6832985965797166
Energy: 0.6822917933876725
Energy: 0.6826299078874771
Energy: 0.6613150573945802
Energy: 0.737048630295643
Energy: 0.7281038634359364
Energy: 0.7253044154846785
Energy: 0.7383451468355537
Energy: 0.681682237881933
Energy: 0.7273796507003127
Energy: 0.683661526777008
Energy: 0.6836297692740504
Energy: 0.6595236929330411
Energy: 0.684716636562132
Energy: 0.6960234366690745
Energy: 0.6598882982691783
Energy: 0.6821906963584355
Energy: 0.6889976777955938
Energy: 0.683383855214451
Energy: 0.6822535137635616
Energy: 0.7346413112452722
Energy: 0.6598020915901758
Energy: 0.6837453790763329
Energy: 0.7350134992946034
Energy: 0.7342890489666254
Energy: 0.6839495213352763
Energy: 0.7347973478510755
Energy: 0.7284379033559574
Energy: 0.7352278324956111
Energy: 0.7142999241669299
Energy: 0.7223929236133002
Energy: 0.736288180773402
Energy: 0.723900374914271
Energy: 0.7341687513002415
Energy: 0.76246267767408
Energy: 0.6880993864785234
Energy: 0.6613870836939949
Energy: 0.6851816820363962
Energy: 0.6828319662181475
Energy: 0.6598874619281783
Energy: 0.6415568049569845
Energy: 0.7330553607694945
Energy: 0.8095965286448195
Energy: 0.6413970553783386
Energy: 0.7290946881951327
Energy: 0.7652619448626135
Energy: 0.6421594513326577
Energy: 0.7337898026414568
Energy: 0.7691738471253527
Energy: 0.6500628694054446
Energy: 0.7341434254368371
Energy: 0.7150287291058804
Energy: 0.7613546917118897
Energy: 0.6864389100208707
Energy: 0.6605390471642689
Energy: 0.6850522858395539
Energy: 0.6823051687312643
Energy: 0.6599526559530469
Energy: 0.7286284897932084
Energy: 0.777076667086709
Energy: 0.7804006044712927
Energy: 0.7292921082633391
Energy: 0.7766500169037758
Energy: 0.7276397679164106
Energy: 0.6824334656498187
Energy: 0.6828530525528163
Energy: 0.6836085929544995
Energy: 0.6823408562034893
Energy: 0.6825462531322126
Energy: 0.7603936697329808
Energy: 0.684267238667658
Energy: 0.7361029458430146
Energy: 0.734585923904068
Energy: 0.7811616082144804
Energy: 0.7354970605603193
Energy: 0.7276748658410868
Energy: 0.6984983370103952
Energy: 0.7194493031395298
Energy: 0.6840973009301673
Energy: 0.682404825344878
Energy: 0.7166526632013315
Energy: 0.6599241566873087
Energy: 0.7352736152586561
Energy: 0.7195537619048789
Energy: 0.693237321115271
Energy: 0.7357279316632366
Energy: 0.7166128448894074
Energy: 0.7274964770818367
Energy: 0.6411896108015575
Energy: 0.6827117788790351
Energy: 0.6832693117758073
Energy: 0.6413854249703907
Energy: 0.6870636502740101
Energy: 0.6608297600200298

minimum gb energy = 0.6411896108015575 eV
minimum distance =  2.54533488784 Angstroms
sigma value = 9


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

Energy: 1.2566801199540474
Energy: 0.8208481381692334
Energy: 0.8328182653437419
Energy: 0.8452594831926777
Energy: 0.8208705954676686
Energy: 0.850699091395869
Energy: 0.7895777585060907
Energy: 0.7424145885571554
Energy: 0.7426445375886348
Energy: 0.7875314826773764
Energy: 0.7234475293944796
Energy: 0.7298843729962153
Energy: 0.7544410616333164
Energy: 0.7282577773817845
Energy: 0.7331874172545019
Energy: 0.7548787251267112
Energy: 0.7760133797889418
Energy: 0.7397694531186593
Energy: 0.7149346771149343
Energy: 0.7291404655297036
Energy: 0.750955370780189
Energy: 0.7148912477934858
Energy: 0.7289106550148341
Energy: 0.7290197747793696
Energy: 0.7821585813981555
Energy: 0.7272063422660353
Energy: 0.7035290922180744
Energy: 0.7837041313495552
Energy: 0.7338359890888486
Energy: 0.7027155663138194
Energy: 0.7435798108428401
Energy: 0.7439322127788288
Energy: 0.741202419394372
Energy: 0.7363616815606101
Energy: 0.7478619471280007
Energy: 0.7408038336343788
Energy: 0.71255563608979
Energy: 0.7463723933616374
Energy: 0.7161653054821712
Energy: 0.713516476170037
Energy: 0.7601210871182779
Energy: 0.714832452095304
Energy: 0.7327563139726013
Energy: 0.7380596081076859
Energy: 0.7417465185996258
Energy: 0.7327019016787054
Energy: 0.7384456133772684
Energy: 0.7427485615560968
Energy: 0.741664673958033
Energy: 0.7225559496098224
Energy: 0.7113892186340391
Energy: 0.7502963494166757
Energy: 0.7361077046922461
Energy: 0.7307273080065299
Energy: 0.7415532983906441
Energy: 0.7169204304032648
Energy: 0.7117037315933201
Energy: 0.7752483325264329
Energy: 0.7140339943517818
Energy: 0.7118078365773337
Energy: 0.7327149402688394
Energy: 0.7448456907911774
Energy: 0.7025879161459977
Energy: 0.7329723264863306
Energy: 0.735145462529528
Energy: 0.7028058740044556
Energy: 0.7325240949833473
Energy: 0.7312356511559692
Energy: 0.7314643037105762
Energy: 0.732929651393046
Energy: 0.7776893351040448
Energy: 0.7321592124729303
Energy: 0.9321443412974985
Energy: 0.7156769294905789
Energy: 0.7152553153603026
Energy: 0.7578589509486702
Energy: 0.7220800095335828
Energy: 0.7390540137269701
Energy: 0.7451154987108561
Energy: 0.7071549070214139
Energy: 0.7150707119512041
Energy: 0.7148483185780596
Energy: 0.7256544472849619
Energy: 0.7292420668576945
Energy: 0.7332718377872803
Energy: 0.7346697735917342
Energy: 0.7343722414638841
Energy: 0.7340965971048976
Energy: 0.7427998058428837
Energy: 0.722612450432317
Energy: 0.7326728945359835
Energy: 0.7275005182645333
Energy: 0.7108264506260382
Energy: 0.7326364175887997
Energy: 0.7496349315143871
Energy: 0.7206659496869392
Energy: 0.7233374279880669
Energy: 0.7291615320696044
Energy: 0.7510983740213234
Energy: 0.7232616630435103
Energy: 0.7563141752611923
Energy: 0.72921267041451
Energy: 0.8641376211212468
Energy: 0.7254154163967426
Energy: 0.7133353522541253
Energy: 0.7767335207073738
Energy: 0.7245220828882152
Energy: 0.7037648367542558
Energy: 0.7222756871758114
Energy: 0.7294126955854233
Energy: 0.7294594890054157
Energy: 0.722107878952358
Energy: 0.7983188413461145
Energy: 0.7300303837919428
Energy: 0.7231077038313287
Energy: 0.7286503128113437
Energy: 0.7291458898492221
Energy: 0.7233748569850349
Energy: 0.7528469830778252
Energy: 0.7141888429730643
Energy: 0.7263413372656492
Energy: 0.7230148879462146
Energy: 0.7432348824532002
Energy: 0.7388870803775412
Energy: 0.7265807268201138
Energy: 0.7413078264727575

minimum gb energy = 0.7025879161459977 eV
minimum distance =  2.52580369750796 Angstroms
sigma value = 27


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

Energy: 0.8594035323115433
Energy: 1.1419282208638817
Energy: 0.702280884386556
Energy: 0.7295365607771918
Energy: 1.1390638348409574
Energy: 0.6896893863967192
Energy: 0.8061189342633831
Energy: 0.7327296839822092
Energy: 0.7325365308306158
Energy: 0.7993223796856836
Energy: 0.7352542546088625
Energy: 0.709312470568525
Energy: 0.7506597963702784
Energy: 0.7318698179875462
Energy: 0.7370218933070449
Energy: 0.751120810757837
Energy: 0.7440738147082019
Energy: 0.7141221043951186
Energy: 0.7392733413440995
Energy: 0.7364888333255024
Energy: 0.7345651418084276
Energy: 0.7401709745241991
Energy: 0.7286666790606937
Energy: 0.7347946022587307
Energy: 0.7428792627081562
Energy: 0.720251910902162
Energy: 0.7075357003493219
Energy: 0.7434734789665332
Energy: 0.7197774311189571
Energy: 0.7074655863663334
Energy: 0.7696326991061787
Energy: 0.7189374887011043
Energy: 0.734418191210683
Energy: 0.770506073022988
Energy: 0.724703796054195
Energy: 0.7330476882785865
Energy: 0.7154183960271454
Energy: 0.6580300935747722
Energy: 0.6569594652758657
Energy: 0.7166434744015692
Energy: 0.7155634181366335
Energy: 0.6547099238917308
Energy: 0.7133821339528061
Energy: 0.7105111247026015
Energy: 0.6989994354620026
Energy: 0.7136825547531312
Energy: 0.7078968337425294
Energy: 0.7121274539403059
Energy: 0.7148426745625682
Energy: 0.7507244463199951
Energy: 0.7383245675155278
Energy: 0.7257746264594248
Energy: 0.7569806507607771
Energy: 0.7153432518641112
Energy: 0.8542398184027337
Energy: 0.7346517006546149
Energy: 0.7151860540016003
Energy: 0.7337017845977822
Energy: 0.7657694861769805
Energy: 0.7417828384864315
Energy: 0.7137380784239699
Energy: 0.6991000688240969
Energy: 0.6998883898045498
Energy: 0.7140860422122839
Energy: 0.7553403422149501
Energy: 0.6987854945680171
Energy: 0.7184300091491096
Energy: 0.7444124448962176
Energy: 0.7478440000030413
Energy: 0.7190978447985182
Energy: 0.774290045552859
Energy: 0.7291831654990992
Energy: 0.7161165945881088
Energy: 0.7398988407758763
Energy: 0.6553765717531489
Energy: 0.7166020544223911
Energy: 0.7360095430958914
Energy: 0.6574427974476208
Energy: 0.7121523509638079
Energy: 0.7308122408163433
Energy: 0.7292246179401595
Energy: 0.712428445429932
Energy: 0.7360787541571495
Energy: 0.6586830081061479
Energy: 0.7488198498124735
Energy: 0.7442152844310743
Energy: 0.750452566853495
Energy: 0.746938775734732
Energy: 0.7428794394941499
Energy: 0.7506463529123736
Energy: 0.7559931720627239
Energy: 0.7487347485164085
Energy: 0.7423588023847159
Energy: 0.7566948190499435
Energy: 0.7243889021688428
Energy: 0.7427910997921076
Energy: 0.7561495524187588
Energy: 0.7288858105155587
Energy: 0.7302800347867214
Energy: 0.7563629157884625
Energy: 0.7361825637957422
Energy: 0.7062305521116253
Energy: 0.7909568119412379
Energy: 0.7041474618062937
Energy: 0.703684615384185
Energy: 0.7631395643274934
Energy: 0.7206351584358344
Energy: 0.7030940510337735
Energy: 0.7141851108364915
Energy: 0.6537712569877392
Energy: 0.6579443388729547
Energy: 0.7152916533790086
Energy: 0.7126190924917299
Energy: 0.6570780582614898
Energy: 0.7192869483206199
Energy: 0.6545412858202583
Energy: 0.658160216674113
Energy: 0.7174055461559496
Energy: 0.7124880994488343
Energy: 0.6571874593562479
Energy: 0.8325081363803783
Energy: 0.7149514578516853
Energy: 0.7031601161311479
Energy: 0.7656689563464532
Energy: 0.7207657728667486
Energy: 0.7035254274993585
Energy: 0.7530488530470433
Energy: 0.7764861416839518
Energy: 0.756687149804448
Energy: 0.753098591342371
Energy: 0.7862186723159301
Energy: 0.747036823272955
Energy: 0.7190963426283377
Energy: 0.7322247633485371
Energy: 0.7322858647186651
Energy: 0.7191073373754042
Energy: 0.7317473677880562
Energy: 0.7370632494245742
Energy: 0.7297453381716166
Energy: 0.7500900707789318
Energy: 0.7478833653255458
Energy: 0.7299127113221934
Energy: 0.7567977083420658
Energy: 0.7350309586205065
Energy: 0.7947523711954836
Energy: 0.7569186666857112
Energy: 0.7532654414206222
Energy: 0.7416271752383996
Energy: 0.7541818043501285
Energy: 0.6883581980816034

minimum gb energy = 0.6537712569877392 eV
minimum distance =  2.55586353656618 Angstroms
sigma value = 19


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

Energy: 0.761820338581321
Energy: 0.6889693127276599
Energy: 0.7186062417916118
Energy: 0.7484255781968999
Energy: 0.7031284445921084
Energy: 0.6955728647444321
Energy: 0.7786619210447913
Energy: 0.7134847011487558
Energy: 0.7210547820786034
Energy: 0.7243641805524602
Energy: 0.7449594228007649
Energy: 0.7125799689752127
Energy: 0.7279122561053725
Energy: 0.7091855812164698
Energy: 0.7116347975472925
Energy: 0.7282265317743026
Energy: 0.7391468419415821
Energy: 0.7082534103906474
Energy: 0.7317942581870976
Energy: 0.7436098564671607
Energy: 0.7086949351382239
Energy: 0.7133327474260495
Energy: 0.713985443148969
Energy: 0.7139758520064439
Energy: 0.7453367845215795
Energy: 0.7285759570077609
Energy: 0.7264643955215847
Energy: 0.7467953661137315
Energy: 0.7268260141652284
Energy: 0.7229527043604758
Energy: 0.764350070854914
Energy: 0.7128579637637807
Energy: 0.7734360175235623
Energy: 0.7391656527362819
Energy: 0.7252154428057334
Energy: 0.7652136813553295
Energy: 0.741257803829787
Energy: 0.7082119796665605
Energy: 0.7114827579975693
Energy: 0.7414339275415011
Energy: 0.7528958677729273
Energy: 0.7169859569658942
Energy: 0.7491233427009683
Energy: 0.7605304797558479
Energy: 0.7592576221002747
Energy: 0.7491273992467267
Energy: 0.7362979274961795
Energy: 0.7595188995675959
Energy: 0.7329389847773216
Energy: 0.7203952346141026
Energy: 0.7085958614161038
Energy: 0.7333471640464223
Energy: 0.7260061577764141
Energy: 0.7119801346374809
Energy: 0.7330890486147374
Energy: 0.7362298691741793
Energy: 0.715858757366843
Energy: 0.7336050342920083
Energy: 0.7404214705742175
Energy: 0.7248080895055306
Energy: 0.7252615577896029
Energy: 0.7005267162606159
Energy: 0.700404183075474
Energy: 0.7255724861794557
Energy: 0.6890963734589577
Energy: 0.711969210652537
Energy: 0.7151875584128691
Energy: 0.7430237561192274
Energy: 0.6821734276654278
Energy: 0.7153802388537278
Energy: 0.7396730681600876
Energy: 0.6857699320546414
Energy: 0.745886928160414
Energy: 0.740745231407036
Energy: 0.7308835567307649
Energy: 0.7358016491850919
Energy: 0.7411965266789458
Energy: 0.7115972653951895
Energy: 0.7539837104711336
Energy: 0.7335612660046656
Energy: 0.7279562267284154
Energy: 0.7416470616049539
Energy: 0.7499542423763578
Energy: 0.7275815143043731
Energy: 0.7150912616780198
Energy: 0.7261269051603563
Energy: 0.6824100037214422
Energy: 0.7152123947333543
Energy: 0.7166205732509849
Energy: 0.6862650507952143
Energy: 0.7155127333387665
Energy: 0.7303913882635332
Energy: 0.6847481111003978
Energy: 0.7154270539096443
Energy: 0.7193200728576045
Energy: 0.689561838138059
Energy: 0.7273949370775278
Energy: 0.7423988946790383
Energy: 0.7348070955704816
Energy: 0.7192826537751533
Energy: 0.7407494596965238
Energy: 0.7277436586501737
Energy: 0.7444961057709446
Energy: 0.7039417997958911
Energy: 0.6904424701231476
Energy: 0.7462364970185852
Energy: 0.7157827588217559
Energy: 0.6899933406814851
Energy: 0.7391748855634279
Energy: 0.7080556222386808
Energy: 0.7063306633610508
Energy: 0.7400930157788035
Energy: 0.7528843349131993
Energy: 0.7099775175158225
Energy: 0.7310126107225038
Energy: 0.7062932325085467
Energy: 0.7064316203624728
Energy: 0.7316647846992909
Energy: 0.7519079547205649
Energy: 0.7094854619701232
Energy: 0.7219654275402356
Energy: 0.6938509748543805
Energy: 0.6900356331000042
Energy: 0.722571403096767
Energy: 0.7157232576894113
Energy: 0.6846747973741096
Energy: 0.7177725404626024
Energy: 0.6919215215004552
Energy: 0.685959818044033
Energy: 0.7183567002932261
Energy: 0.7158122353020298
Energy: 0.6823245260760176
Energy: 0.7520102218019993
Energy: 0.7271430396838853
Energy: 0.7267285229163906
Energy: 0.7529134307695143
Energy: 0.751830856687766
Energy: 0.7155618872594772
Energy: 0.7631900530634236
Energy: 0.7793427334304517
Energy: 0.7354889258464574
Energy: 0.7636988520503273
Energy: 0.7914851970829089
Energy: 0.7354435960356546
Energy: 0.7497312110487313
Energy: 0.7107403139509471
Energy: 0.69279167627308
Energy: 0.7231421854336652
Energy: 0.7159445786438708
Energy: 0.6860290794952603
Energy: 0.7361102820688968
Energy: 0.7116356778742527
Energy: 0.7086758596090283
Energy: 0.7326501421155096
Energy: 0.7110188362137846
Energy: 0.7089067691317505
Energy: 0.7287190972299721
Energy: 0.7097734249167988
Energy: 0.7156086077552067
Energy: 0.7284570544415442
Energy: 0.7398742453760483
Energy: 0.7168024201702874
Energy: 0.7279160761616061
Energy: 0.738720412026657
Energy: 0.7116545986936745
Energy: 0.7283538333302219
Energy: 0.7390972949807764
Energy: 0.712636150663906
Energy: 0.7500319083939566
Energy: 0.767074323134247
Energy: 0.7670244605605822
Energy: 0.6956257301734643
Energy: 0.7671402314468359
Energy: 0.7232654980548463

minimum gb energy = 0.6821734276654278 eV
minimum distance =  2.5098994441034 Angstroms
sigma value = 101


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

Energy: 1.1014747387929316
Energy: 0.7286172265429193
Energy: 0.7310754593517974
Energy: 0.6944905657560431
Energy: 0.7292071530993717
Energy: 0.712988869072854
Energy: 0.7785398078768181
Energy: 0.7100945379625017
Energy: 0.7032311858509926
Energy: 0.7662529905604475
Energy: 0.709566648047548
Energy: 0.7044856959922784
Energy: 0.7294484681954496
Energy: 0.7227336244304632
Energy: 0.7070845986534686
Energy: 0.7293949501762859
Energy: 0.7048024013140771
Energy: 0.727910597183852
Energy: 0.7244493163753147
Energy: 0.7008889899065207
Energy: 0.7039177666638442
Energy: 0.7256045847733607
Energy: 0.6975892421325844
Energy: 0.7036831434760796
Energy: 0.7110440972992552
Energy: 0.7239573270471577
Energy: 0.7256317900916975
Energy: 0.7129979014309663
Energy: 0.7281242294801265
Energy: 0.7295629224932859
Energy: 0.7085666288809289
Energy: 0.702877093102405
Energy: 0.7044968204795723
Energy: 0.7091867164647161
Energy: 0.7653481415430214
Energy: 0.7218185415243882
Energy: 0.7243826884099358
Energy: 0.7054105578842247
Energy: 0.7130761881167007
Energy: 0.7241738060599672
Energy: 0.7033481607364003
Energy: 0.7223390117158397
Energy: 0.6954045915720963
Energy: 0.7357352214064348
Energy: 0.7333730285757786
Energy: 0.6955034680477021
Energy: 0.7043963307083387
Energy: 0.7301080882938294
Energy: 0.6977706707927075
Energy: 0.7022426152299426
Energy: 0.7025964870158066
Energy: 0.6990282906711411
Energy: 0.7234269010645761
Energy: 0.7238306554484659
Energy: 0.6958701212841829
Energy: 0.7055437544987782
Energy: 0.7014018249512948
Energy: 0.6958955032011258
Energy: 0.7293807528258746
Energy: 0.7131558955506234
Energy: 0.7236555821795384
Energy: 0.6880078273036412
Energy: 0.6882647689219515
Energy: 0.7237207259087142
Energy: 0.6696371613013637
Energy: 0.7110791963174229
Energy: 0.7367416415685746
Energy: 0.7055029659106768
Energy: 0.7130179358660493
Energy: 0.7368773199024128
Energy: 0.7342960397522554
Energy: 0.7028936794319197
Energy: 0.7036073133604229
Energy: 0.7212362259697244
Energy: 0.7119493075736506
Energy: 0.6955540046231653
Energy: 0.7217294105288647
Energy: 0.7034249135697348
Energy: 0.7023660812874595
Energy: 0.6826197790865627
Energy: 0.7031493957330779
Energy: 0.7026069820243147
Energy: 0.68272775075918
Energy: 0.6932043295520289
Energy: 0.7274952691351092
Energy: 0.7066125039653856
Energy: 0.721551091986358
Energy: 0.7277714315624233
Energy: 0.7052310922515441
Energy: 0.7237557018986601
Energy: 0.727877966852554
Energy: 0.7117297421150959
Energy: 0.7096998378415192
Energy: 0.720724293419349
Energy: 0.6963615177427499
Energy: 0.704558399751083
Energy: 0.6912513832607048
Energy: 0.7889237260231665
Energy: 0.7295797189022212
Energy: 0.6778781055091067
Energy: 0.7985688745102718
Energy: 0.6876136271370922
Energy: 0.7595686173362275
Energy: 0.7169817343645993
Energy: 0.6927330125115195
Energy: 0.7609797824431005
Energy: 0.7124356861696983
Energy: 0.7141425841197946
Energy: 0.7276751214878922
Energy: 0.7053568437028432
Energy: 0.7006736020077977
Energy: 0.7276769340120187
Energy: 0.6986423795034373
Energy: 0.7035210386995665
Energy: 0.7323407808548565
Energy: 0.7054762032303107
Energy: 0.7041380730790285
Energy: 0.7328177990337001
Energy: 0.7053639468719709
Energy: 0.7040276368015136
Energy: 0.7131806888806129
Energy: 0.7273022368585313
Energy: 0.7193178271380772
Energy: 0.7135335863926473
Energy: 0.7320488536677543
Energy: 0.7312739680521838
Energy: 0.7238867037645479
Energy: 0.7105558589699901
Energy: 0.7044457801114024
Energy: 0.7248159992550834
Energy: 0.7205886301369818
Energy: 0.7083963790981431
Energy: 0.7090247940342171
Energy: 0.7030960482394213
Energy: 0.7026604574523405
Energy: 0.7090567359933503
Energy: 0.7036189037849899
Energy: 0.7023039721199943
Energy: 0.730242641252743
Energy: 0.7244961105769879
Energy: 0.7159727151628903
Energy: 0.7304431754356988
Energy: 0.692113216088142
Energy: 0.7291274324951629
Energy: 0.7014860023726847
Energy: 0.7017428900633801
Energy: 0.7044421678493664
Energy: 0.7021209563839509
Energy: 0.7233541823348627
Energy: 0.7224111592975656
Energy: 0.6981321487341261
Energy: 0.7052330957648943
Energy: 0.7065899375629235
Energy: 0.6989082871128229
Energy: 0.7276701050206428
Energy: 0.7233998996250937
Energy: 0.7056305043820741
Energy: 0.711113784273194
Energy: 0.670332023436048
Energy: 0.7065257639096115
Energy: 0.6798261944128681
Energy: 0.670206802250011
Energy: 0.7307517096808884
Energy: 0.6770227453869866
Energy: 0.7109960323962111
Energy: 0.7307534507488075
Energy: 0.6816782218150974
Energy: 0.7058740911289443
Energy: 0.7025660575211563
Energy: 0.7217351298534207
Energy: 0.7024504419063377
Energy: 0.6944024165548112
Energy: 0.7218159964633464
Energy: 0.69372589899705
Energy: 0.7055251733632083
Energy: 0.6833198090685735
Energy: 0.7054270473091178
Energy: 0.6949403744596275
Energy: 0.7056958449196179
Energy: 0.702949811083253
Energy: 0.7297628872327063
Energy: 0.7054160997217708
Energy: 0.7100293086193513
Energy: 0.727867776760788
Energy: 0.7043382757224482
Energy: 0.7013035119222668
Energy: 0.7275002992399228
Energy: 0.7053205058519676
Energy: 0.7065225320202829
Energy: 0.7229737150807497
Energy: 0.7114100758515188
Energy: 0.7050496490499027
Energy: 0.6935842263889545
Energy: 0.6978920265236601
Energy: 0.6934413263953692
Energy: 0.678032526496122
Energy: 0.6976626427265147
Energy: 0.6765906008150555

minimum gb energy = 0.6696371613013637 eV
minimum distance =  2.50968645473665 Angstroms
sigma value = 33


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

Energy: 0.012212212800192378
Energy: 0.6336120845466581
Energy: 0.012835272471004406
Energy: 0.01390209441954134
Energy: 0.6352812981827937
Energy: 0.012762204388504252
Energy: 0.3730853203969695
Energy: 0.0825007973060138
Energy: 0.08125333365633705
Energy: 0.08100654877088626
Energy: 0.08268832070341064
Energy: 0.08138818125232711
Energy: 0.9286889959994301
Energy: 0.635097183858426
Energy: 0.6334287773420835
Energy: 0.632429763434987
Energy: 0.6350392386673064
Energy: 0.6331345226611158
Energy: 0.013233254167711657
Energy: 0.08250079730713215
Energy: 0.08125333365633705
Energy: 0.08100654877052063
Energy: 0.08268832070265791
Energy: 0.08138818125307984

minimum gb energy = 0.012212212800192378 eV
minimum distance =  2.7016976248118 Angstroms
sigma value = 1