Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
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=4.039798453450203
cohesive_energy=2.8885682080333717
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=[1.5056214591519898e-19, 2.0394747244839598e-19, 2.4380321839578e-19, 2.7578266401041997e-19, 3.0273287717093396e-19, 3.2568886398288595e-19, 3.45506186768832e-19, 3.6276803782354794e-19, 3.7786534824572995e-19, 3.9110253159583794e-19, 4.0281924932028003e-19, 4.1312765378343593e-19, 4.2215271476275795e-19, 4.3001940203569794e-19, 4.368606962628779e-19, 4.4276952368907e-19, 4.47787540906758e-19, 4.5198203933457e-19, 4.55405890801428e-19, 4.58123182372692e-19, 4.602012054669899e-19, 4.616447666142239e-19, 4.624891137003419e-19, 4.62763085904756e-19, 4.624682854040999e-19, 4.61529409896576e-19, 4.59845522254242e-19, 4.57251598283796e-19, 4.53577807262034e-19, 4.48627081462974e-19, 4.4224080539985e-19, 4.3414500686824795e-19, 4.23907098176988e-19, 4.1109449163489e-19, 3.95170458069564e-19, 3.7546688982463196e-19, 3.5114104199061e-19, 3.2126845864967997e-19, 2.8439276124153597e-19, 2.38749953292144e-19, 1.8202488956537398e-19, 1.112521013293554e-19, 2.22513495283188e-20, -9.064009893294539e-20, -2.3527162781973e-19, -4.2323418399070797e-19, -6.715058730187139e-19, -1.00609482820347e-18, -1.4683644437049537e-18, -2.12690550340134e-18, -3.1030796829648597e-18, -4.630739081717519e-18, -7.20260107991334e-18, -1.202935045103442e-17]
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: 0.008920329475716141
Energy: 0.4879124974026703
Energy: 0.009368637675522805
Energy: 0.009150468024342315
Energy: 0.488870714774717
Energy: 0.009153154742533568
Energy: 0.4879124974009543
Energy: 0.09224790985205167
Energy: 0.09235066199933924
Energy: 0.0920634885694124
Energy: 0.09221208722545408
Energy: 0.09244047066824611
Energy: 0.00936863767454622
Energy: 0.09235066199738605
Energy: 0.09222411218162599
Energy: 0.009208644938981419
Energy: 0.09213943661287342
Energy: 0.09207053457174819
Energy: 0.009150468024342315
Energy: 0.0920634885659804
Energy: 0.009208644936526006
Energy: 0.009125695220750607
Energy: 0.09210781261917964
Energy: 0.00915127474276387
Energy: 0.4888707147732522
Energy: 0.09221208722471468
Energy: 0.0921394366131106
Energy: 0.09210781261844023
Energy: 0.0922182900805631
Energy: 0.09211780223503944
Energy: 0.009153154741794152
Energy: 0.09244047066799498
Energy: 0.09207053457100878
Energy: 0.009151274741047872
Energy: 0.09211780223404892
Energy: 0.009014447338190793

minimum gb energy = 0.008920329475716141 eV
minimum distance =  2.85449956211201 Angstroms
sigma value = 1


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

Energy: 1.350562095012809
Energy: 0.6920223714590942
Energy: 0.6716254999863503
Energy: 0.7388257773029603
Energy: 0.7217584062763328
Energy: 0.6782808172648678
Energy: 1.1581084302750109
Energy: 0.6835369168405431
Energy: 0.6833550939213967
Energy: 0.6832077274638334
Energy: 0.6845539726239822
Energy: 0.6831704154627807
Energy: 0.6338608100068702
Energy: 0.6872992392749557
Energy: 0.6836725298165496
Energy: 0.7117559349965543
Energy: 0.671336380769779
Energy: 0.6834819480529538
Energy: 1.2714116137180707
Energy: 0.6719765771923467
Energy: 0.7173314955198745
Energy: 0.7209638674905617
Energy: 0.67316228263344
Energy: 0.7178102161442307
Energy: 1.1568590208005782
Energy: 0.6855404736979727
Energy: 0.684549470096412
Energy: 0.6828088389078315
Energy: 0.6872672481129081
Energy: 0.6837002130999935
Energy: 1.140075120774936
Energy: 0.7131949605346931
Energy: 0.7125642613620778
Energy: 0.7123160095620097
Energy: 0.685319279808363
Energy: 0.71198307359382
Energy: 1.136059253528468
Energy: 0.7130126401961211
Energy: 0.71221818990236
Energy: 0.7116680937869804
Energy: 0.7139128062155077
Energy: 0.711561434180627
Energy: 1.0577479259516804
Energy: 0.7100058347818259
Energy: 0.7107887777684527
Energy: 0.6862061270228713
Energy: 0.7099547277480419
Energy: 0.7122402084760139
Energy: 0.9263262444639146
Energy: 0.7119217867375144
Energy: 0.7129984523857612
Energy: 0.6850120715229386
Energy: 0.7125451991571451
Energy: 0.7129579004577545
Energy: 0.9247666997279332
Energy: 0.682731293617083
Energy: 0.6847422170844929
Energy: 0.6881951517967085
Energy: 0.6828015222602013
Energy: 0.6847334164865209
Energy: 0.9612795232140137
Energy: 0.7154467872816758
Energy: 0.7150444510256423
Energy: 0.671567781099306
Energy: 0.7156078633876533
Energy: 0.7163472801290767
Energy: 0.7745663946465929
Energy: 0.6828668266762776
Energy: 0.6828922900491402
Energy: 0.6712327208052251
Energy: 0.7101395578217826
Energy: 0.6832055165070751
Energy: 0.7743762568893916
Energy: 0.6830527706912857
Energy: 0.682749558120313
Energy: 0.6852454058029904
Energy: 0.6821604483379542
Energy: 0.6828251747902753
Energy: 0.833019489011352
Energy: 0.6902632090225856
Energy: 0.6901601861641897
Energy: 0.6716290012601775
Energy: 0.6898136668824821
Energy: 0.671799737500191
Energy: 0.8187981027789756
Energy: 0.6847795217485725
Energy: 0.6842792291188585
Energy: 0.6890336943993253
Energy: 0.6834000435889472
Energy: 0.6842910877582467
Energy: 0.8192692552484634
Energy: 0.7122317027139434
Energy: 0.7124484092991274
Energy: 0.6860723482074059
Energy: 0.7122241521030155
Energy: 0.7128876328090851
Energy: 1.0586577297047328
Energy: 0.7114308344416577
Energy: 0.7113437869971851
Energy: 0.6701309249760536
Energy: 0.710940813486319
Energy: 0.7154200221123715
Energy: 1.0379475429439469
Energy: 0.714306546214732
Energy: 0.7136768520407858
Energy: 0.7129233467946589
Energy: 0.7139366402903844
Energy: 0.7134211550280674
Energy: 1.0371880608220094
Energy: 0.7127152668678695
Energy: 0.7133916384317848
Energy: 0.7142756563713396
Energy: 0.712792158419665
Energy: 0.7130310703630315
Energy: 1.0782816105217596
Energy: 0.713240118864733
Energy: 0.7135440863942123
Energy: 0.7130425380464773
Energy: 0.7134016061206113
Energy: 0.7127946088960574
Energy: 1.1868973319122698
Energy: 0.6985423501418899
Energy: 0.7127671999067049
Energy: 0.7109928310215161
Energy: 0.6975977488714833
Energy: 0.7123437876998204
Energy: 1.1466083373242797
Energy: 0.717155249553063
Energy: 0.7129296397414112
Energy: 0.7100971741065653
Energy: 0.6703695793283808
Energy: 0.7126222767352024
Energy: 1.19403533043207
Energy: 0.6848340289665108
Energy: 0.6831055456938613
Energy: 0.653589426213412
Energy: 0.6844939261217633
Energy: 0.682776988373913

minimum gb energy = 0.6338608100068702 eV
minimum distance =  2.64948647420971 Angstroms
sigma value = 33


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

Energy: 1.584117536926358
Energy: 0.7362090966455777
Energy: 0.7991376587051048
Energy: 0.8373058597579502
Energy: 0.7684167805317372
Energy: 0.7918706525651704
Energy: 0.7554147619437052
Energy: 0.7629522685886717
Energy: 0.7372712411090421
Energy: 0.7382775486880248
Energy: 0.7822618031264887
Energy: 0.7377832327663779
Energy: 1.1076528927599085
Energy: 0.7414785433831763
Energy: 0.7664985568102304
Energy: 0.7610653041348547
Energy: 0.7733619037300742
Energy: 0.7641855464473837
Energy: 1.2144022271139205
Energy: 0.776278505425894
Energy: 0.7669936049632783
Energy: 0.7632963575765634
Energy: 0.7592789475006018
Energy: 0.7623525993548738
Energy: 0.744511331475802
Energy: 0.7377526775412948
Energy: 0.7380891643699419
Energy: 0.7392718598853585
Energy: 0.738327224667132
Energy: 0.7385633416094977
Energy: 1.194527725396523
Energy: 0.7419805325615676
Energy: 0.7420007608209411
Energy: 0.7432922923046263
Energy: 0.7560737172195289
Energy: 0.7423667556631595
Energy: 1.195107942401597
Energy: 0.7416208129902284
Energy: 0.7413424856751974
Energy: 0.7432210236551524
Energy: 0.7425103933018257
Energy: 0.741776962787364
Energy: 0.7164379298148703
Energy: 0.7594084634235998
Energy: 0.757788469053126
Energy: 0.7575290000924674
Energy: 0.7593352075445365
Energy: 0.7618071438349748
Energy: 0.957230405292963
Energy: 0.7605050809692813
Energy: 0.7402977745763671
Energy: 0.7317429423783866
Energy: 0.7594370677402659
Energy: 0.7411911882476692
Energy: 0.9529367803232318
Energy: 0.7420379663051943
Energy: 0.7418520305607423
Energy: 0.7416881900513088
Energy: 0.741818693494053
Energy: 0.7422048468504158
Energy: 0.9006253858986801
Energy: 0.7479442946861405
Energy: 0.7495221451010602
Energy: 0.7613880458210722
Energy: 0.7517199791617629
Energy: 0.747136153389448
Energy: 0.8258360779901663
Energy: 0.750322414037177
Energy: 0.742702562055877
Energy: 0.7684957714651524
Energy: 0.7501429937591733
Energy: 0.742929588370305
Energy: 0.8256901735550196
Energy: 0.7460045190101392
Energy: 0.7463730041019813
Energy: 0.722752526853397
Energy: 0.7456609393559732
Energy: 0.7445187426085185
Energy: 0.8877129044401604
Energy: 0.7472149627827035
Energy: 0.7543276654861694
Energy: 0.7566459431864971
Energy: 0.7672593153838604
Energy: 0.7346907613655551
Energy: 0.9197047886373549
Energy: 0.7454166903357287
Energy: 0.7451350102445804
Energy: 0.7232055194108701
Energy: 0.7221853100016907
Energy: 0.7458190618112881
Energy: 0.9195640981685537
Energy: 0.7491148317756329
Energy: 0.7724386315236855
Energy: 0.7704284218502297
Energy: 0.7472373280588613
Energy: 0.7761238696905725
Energy: 1.127252382769843
Energy: 0.74811023184497
Energy: 0.7464196830839729
Energy: 0.7339895741844145
Energy: 0.7290304997341895
Energy: 0.7464087259213326
Energy: 1.0716843484553968
Energy: 0.7291727951923889
Energy: 0.7290305479929025
Energy: 0.7598534667970689
Energy: 0.7291165306714544
Energy: 0.7611248777886618
Energy: 1.0715494668202024
Energy: 0.7600223094468945
Energy: 0.7529710659915063
Energy: 0.758023647135892
Energy: 0.7603448856967667
Energy: 0.7520392608718959
Energy: 1.1312792942927525
Energy: 0.7224904589871348
Energy: 0.7234023774223273
Energy: 0.7281971010699598
Energy: 0.7218153076803899
Energy: 0.7281123439852182
Energy: 1.3217929399276234
Energy: 0.7445714873359808
Energy: 0.7495185208646741
Energy: 0.7507098808431856
Energy: 0.7222238254933211
Energy: 0.7522078963747817
Energy: 1.03560001142176
Energy: 0.7220787429338725
Energy: 0.7225545373107259
Energy: 0.7501379948568789
Energy: 0.7485202571676274
Energy: 0.7218863057180972
Energy: 1.1161162673721339
Energy: 0.7542789614400782
Energy: 0.7490070498225514
Energy: 0.7452485853394208
Energy: 0.7609783103030296
Energy: 0.7455595559596111
Energy: 1.2137369398469278
Energy: 0.7172573979823464
Energy: 0.7272032881478511
Energy: 0.7419776966271021
Energy: 0.778325278304099
Energy: 0.7478166440364387
Energy: 1.1172476998581449
Energy: 0.736412753869057
Energy: 0.7422906516710676
Energy: 0.7453809340712801
Energy: 0.7368718755527153
Energy: 0.7456388885772872
Energy: 0.7408184820873973
Energy: 0.7249089688340203
Energy: 0.7757102970392951
Energy: 0.7344416623225399
Energy: 0.744787451524207
Energy: 0.7746115800131793
Energy: 1.1889156772168012
Energy: 0.7254607437641539
Energy: 0.7254302160268334
Energy: 0.7339245074928875
Energy: 0.74819489974733
Energy: 0.7440956858018104
Energy: 1.0476302931781147
Energy: 0.7589051758158541
Energy: 0.760644631979661
Energy: 0.735121816973227
Energy: 0.7604818552498763
Energy: 0.7355024015289845
Energy: 0.9584031673457828
Energy: 0.7579472123433755
Energy: 0.7610855405282008
Energy: 0.7360927645577728
Energy: 0.759675466518314
Energy: 0.7356919020153821
Energy: 0.9521698040088178
Energy: 0.7414282715910032
Energy: 0.7411820714035654
Energy: 0.7514551350926534
Energy: 0.7419363908723288
Energy: 0.7415560511857464
Energy: 0.9902071858507885
Energy: 0.7504761425367409
Energy: 0.7508398127606618
Energy: 0.7372615510416036
Energy: 0.7503158088481016
Energy: 0.7519759299232431
Energy: 0.827608224440779
Energy: 0.7501876150171166
Energy: 0.7502290930820825
Energy: 0.7679850034695082
Energy: 0.7501830073544606
Energy: 0.7398370497601632
Energy: 0.8285306865694162
Energy: 0.7382959103504942
Energy: 0.7389929993825884
Energy: 0.748011297502721
Energy: 0.7388373853400776
Energy: 0.7401824031439663
Energy: 0.8277925523171904
Energy: 0.7618722280491643
Energy: 0.7542115717638374
Energy: 0.7617829904363724
Energy: 0.7605049713764673
Energy: 0.7494125130641368
Energy: 0.9282897239856028
Energy: 0.739153703473901
Energy: 0.73913265722751
Energy: 0.7399008124248981
Energy: 0.7394004936862376
Energy: 0.7394122285569644
Energy: 0.9262194947459006
Energy: 0.7484235325894681
Energy: 0.7479443782172918
Energy: 0.7657278999137243
Energy: 0.7684505424456314
Energy: 0.7472889223086916
Energy: 1.0799215625030951
Energy: 0.7486777775536356
Energy: 0.7488423451623868
Energy: 0.7635642258618347
Energy: 0.748332308339282
Energy: 0.7486975119732433
Energy: 1.0720367262760113
Energy: 0.7702469721868178
Energy: 0.7699304241958276
Energy: 0.7582911204554743
Energy: 0.7716236228362161
Energy: 0.7713666574648785
Energy: 1.0717028360077567
Energy: 0.7428179474493636
Energy: 0.7442368698144678
Energy: 0.7596482350096411
Energy: 0.7651177523350101
Energy: 0.7614319496002211
Energy: 0.7618314728792334
Energy: 0.7673004288067206
Energy: 0.7725577863191276
Energy: 0.7392733629698779
Energy: 0.7740090571819404
Energy: 0.7390606557527837
Energy: 1.2939452029224288
Energy: 0.738163121480672
Energy: 0.742163281237558
Energy: 0.7411382420704765
Energy: 0.7388047662931474
Energy: 0.742856670822254

minimum gb energy = 0.7164379298148703 eV
minimum distance =  2.65052684406888 Angstroms
sigma value = 51


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

Energy: 1.386326380833688
Energy: 0.7999388486786626
Energy: 0.7893893335527205
Energy: 0.7489397185861882
Energy: 0.7799447749614092
Energy: 0.7138890945999286
Energy: 1.0789669025292377
Energy: 0.7637795696173463
Energy: 0.7646199616955794
Energy: 0.7237467295523267
Energy: 0.7277864712472041
Energy: 0.7227770180557325
Energy: 1.1994060591087392
Energy: 0.7589898357058132
Energy: 0.727793763881101
Energy: 0.7221908244190982
Energy: 0.725779002419339
Energy: 0.7629821676615154
Energy: 1.2009207736760752
Energy: 0.7508204001609684
Energy: 0.7197359567808858
Energy: 0.7229409649472783
Energy: 0.729912547013267
Energy: 0.7233935100086254
Energy: 0.7247702121083822
Energy: 0.7219048983783444
Energy: 0.7221771268729591
Energy: 0.7247260348377859
Energy: 0.7240892128519375
Energy: 0.7221949679230841
Energy: 1.0300421687225354
Energy: 0.7222303311920185
Energy: 0.7216882879114448
Energy: 0.7226819300443675
Energy: 0.7226330037756667
Energy: 0.7218853776289708
Energy: 1.0299548988719955
Energy: 0.7233095846734348
Energy: 0.7224676740224171
Energy: 0.7226856524872453
Energy: 0.7244000429925749
Energy: 0.722090224889904
Energy: 0.794383588864794
Energy: 0.8014739782675571
Energy: 0.8018100930516513
Energy: 0.8135982493582838
Energy: 0.8005708238219817
Energy: 0.7898892746189065
Energy: 0.8194352353707534
Energy: 0.7958227535892141
Energy: 0.7836707653250115
Energy: 0.7240160259484875
Energy: 0.7971100873591493
Energy: 0.7586533948625283
Energy: 0.8190761864974628
Energy: 0.7237110249418275
Energy: 0.7235565599620251
Energy: 0.7261997979644907
Energy: 0.7240916508481854
Energy: 0.7639567466804947
Energy: 0.8192449436919965
Energy: 0.7050665324475837
Energy: 0.7445787249551211
Energy: 0.7215176200893906
Energy: 0.7226955533156829
Energy: 0.7451926354639558
Energy: 0.8810759230066
Energy: 0.722990860572539
Energy: 0.722759461281979
Energy: 0.7277214649182918
Energy: 0.7189542255818818
Energy: 0.7230299121793462
Energy: 0.8805534864306913
Energy: 0.8020251709666801
Energy: 0.7649310732738108
Energy: 0.7230847266172037
Energy: 0.7641240827917833
Energy: 0.7209468041130133
Energy: 0.8807675868117975
Energy: 0.7246216814306715
Energy: 0.724427315517019
Energy: 0.7508213540708653
Energy: 0.7237861113924552
Energy: 0.7246214522255713
Energy: 1.1060262007634967
Energy: 0.722787065723917
Energy: 0.7585838695528059
Energy: 0.7138710039942585
Energy: 0.728160816846058
Energy: 0.7640652129217632
Energy: 1.1061772557009024
Energy: 0.761713055404057
Energy: 0.723278490717964
Energy: 0.7180658214050488
Energy: 0.7227588536824635
Energy: 0.7093728120426188
Energy: 0.7198500632853931
Energy: 0.7598744360915456
Energy: 0.7618670421484905
Energy: 0.724476900623176
Energy: 0.7266047542620158
Energy: 0.7258482971495733
Energy: 1.296764296071962
Energy: 0.7249680201954489
Energy: 0.7139735529628262
Energy: 0.8020153726886828
Energy: 0.7652144955107065
Energy: 0.7129378767036756

minimum gb energy = 0.7050665324475837 eV
minimum distance =  2.66500293516765 Angstroms
sigma value = 19


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

Energy: 1.1819408077332478
Energy: 0.7735071895801707
Energy: 0.8052400770518602
Energy: 0.8393812296908462
Energy: 0.7727801316918662
Energy: 0.8419837404852356
Energy: 0.9699398603701612
Energy: 0.7853973928969583
Energy: 0.7851699278724569
Energy: 0.8061540824755594
Energy: 0.7853663519367694
Energy: 0.7851219522782656
Energy: 0.7932382158415419
Energy: 0.7855873020889744
Energy: 0.785862673238549
Energy: 0.8178009820783214
Energy: 0.7855168830202507
Energy: 0.7862540523078683
Energy: 0.9655464105370628
Energy: 0.7853149257268821
Energy: 0.7858964938230228
Energy: 0.8076223301584021
Energy: 0.7850144382285497
Energy: 0.7848932005818479
Energy: 0.8754726929739467
Energy: 0.7848870046598456
Energy: 0.8058239253989063
Energy: 0.7728410064650035
Energy: 0.7851766868020824
Energy: 0.8061003867569322
Energy: 0.9691980021388961
Energy: 0.7665605738498892
Energy: 0.8050702826169029
Energy: 0.8056744367613781
Energy: 0.7662193623743143
Energy: 0.8054576928530089
Energy: 0.9701960624681627
Energy: 0.772883619502694
Energy: 0.805487825418703
Energy: 0.805645895023873
Energy: 0.7729193722609189
Energy: 0.8056522759689043
Energy: 0.875080777960885
Energy: 0.7680748459078812
Energy: 0.7664131703225182
Energy: 0.7853030351019953
Energy: 0.7680242224920875
Energy: 0.7671889639647502
Energy: 0.7851339436266775
Energy: 0.7679892597215223
Energy: 0.7667121141340428
Energy: 0.7852307227784736
Energy: 0.7668839226983905
Energy: 0.7664177391528004
Energy: 0.7849164230457342
Energy: 0.8059107742550037
Energy: 0.7850528474242414
Energy: 0.7850868150819804
Energy: 0.8064409651667815
Energy: 0.7851309712132418
Energy: 0.7844570115588011
Energy: 0.8109264359997118
Energy: 0.8091105928584876
Energy: 0.784936261955105
Energy: 0.8113410403418948
Energy: 0.7855294319222181
Energy: 0.8756423746118835
Energy: 0.806149461606228
Energy: 0.8054122200013152
Energy: 0.7853074322858073
Energy: 0.8054884894748118
Energy: 0.7852474582392679
Energy: 0.766349766666441
Energy: 0.8055613236258987
Energy: 0.8056677153313746
Energy: 0.7682844952596268
Energy: 0.805869691174743
Energy: 0.8060070274411176
Energy: 0.8756815537120424
Energy: 0.8057146347171995
Energy: 0.8058265662025327
Energy: 0.7730733690870898
Energy: 0.806157476138042
Energy: 0.8061904503630875
Energy: 1.1580577783928752
Energy: 0.7851618367411474
Energy: 0.7855450827651085
Energy: 0.7666040163459314
Energy: 0.7853602973387955
Energy: 0.7664829052887776
Energy: 1.1582850323894827
Energy: 0.7730366604151251
Energy: 0.7672843735314432
Energy: 0.7670206889335168
Energy: 0.7729469953174473
Energy: 0.7664998751051288
Energy: 0.9701277458796735
Energy: 0.7858606451661689
Energy: 0.7851682673564474
Energy: 0.7730442890814375
Energy: 0.7854852839628439
Energy: 0.7849811535240679
Energy: 0.9656304736346653
Energy: 0.7860894994036477
Energy: 0.7852313238033918
Energy: 0.8074231421659568
Energy: 0.7852030762412422
Energy: 0.7726690480367996
Energy: 0.9661125449255253
Energy: 0.7863194602188268
Energy: 0.7853351617702488
Energy: 0.8075408976199578
Energy: 0.7855777700037068
Energy: 0.785580448276734
Energy: 0.9698429385477133
Energy: 0.7664431047777357
Energy: 0.8052822213404828
Energy: 0.7734284766766768
Energy: 0.766221546517017
Energy: 0.8049748687732077
Energy: 0.9690541055370648
Energy: 0.7854382885580232
Energy: 0.8059099109746305
Energy: 0.8186988098008969
Energy: 0.7853307984353716
Energy: 0.8058647189690307
Energy: 0.9695857401971509
Energy: 0.7729664282271109
Energy: 0.8052511114685207
Energy: 0.7859671637058422
Energy: 0.7730028473162102
Energy: 0.8053523375305873
Energy: 0.8756756144724105
Energy: 0.7661402047698527
Energy: 0.7668365276349614
Energy: 0.8755268864433426
Energy: 0.7668235618927032
Energy: 0.7665082498291337
Energy: 0.7850595327442262
Energy: 0.7859431379008918
Energy: 0.7851762402188832
Energy: 0.7852416802651581
Energy: 0.7952009498677667
Energy: 0.785190078071313
Energy: 0.7853070646798197
Energy: 0.8061967029388387
Energy: 0.7859717976937876
Energy: 0.7854617332517119
Energy: 0.8174758575670613
Energy: 0.7858861511718692
Energy: 0.7728785907778435
Energy: 0.8080864054130689
Energy: 0.8075901376466728
Energy: 0.7849835602248413
Energy: 0.8079059185130084
Energy: 0.7854772382484282
Energy: 0.9697210579431643
Energy: 0.805821873063139
Energy: 0.8061259828869585
Energy: 0.7853872868430709
Energy: 0.7733888201573929
Energy: 0.806450068456034
Energy: 0.7661900933024549
Energy: 0.8055935409451292
Energy: 0.8063077225367772
Energy: 0.7660933207586165
Energy: 0.8056140054800308
Energy: 0.8047689872397669
Energy: 0.8754421173453613
Energy: 0.8054819959350734
Energy: 0.8065681431541228
Energy: 0.7731962438607072
Energy: 0.8055900478405552
Energy: 0.8050548018674859
Energy: 1.1570191583073117
Energy: 0.7725882686421398
Energy: 0.7670062359040779
Energy: 0.7668846481977035
Energy: 0.7858423233298886
Energy: 0.7672064411542762

minimum gb energy = 0.7660933207586165 eV
minimum distance =  2.64630812435573 Angstroms
sigma value = 27


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

Energy: 0.9722429307338785
Energy: 0.6604220254360778
Energy: 0.6323054659466179
Energy: 0.6922433219388425
Energy: 0.714136850357023
Energy: 0.6305228156874103
Energy: 0.9113087606947529
Energy: 0.659660453116386
Energy: 0.6596831385061452
Energy: 0.6597917561168136
Energy: 0.660276017488948
Energy: 0.6599511908942649
Energy: 0.8525098790958799
Energy: 0.694999346362145
Energy: 0.6607855983807507
Energy: 0.6600817998840169
Energy: 0.6595001405247278
Energy: 0.6603587041498232
Energy: 0.6786323337118306
Energy: 0.6596466980174404
Energy: 0.6600360482847013
Energy: 0.6598884921728799
Energy: 0.660096218703904
Energy: 0.6596643609013801
Energy: 0.9123479425448928
Energy: 0.6309380286241398
Energy: 0.6598521674307255
Energy: 0.6599492510330212
Energy: 0.631039639259265
Energy: 0.6609505598317073
Energy: 0.7721529703227239
Energy: 0.6995851869800135
Energy: 0.6739576297148722
Energy: 0.6596084491940969
Energy: 0.6995911178119338
Energy: 0.6304170638570654
Energy: 0.7722462588622035
Energy: 0.6610588004348353
Energy: 0.6607055882010207
Energy: 0.6602407808108094
Energy: 0.6759678504280563
Energy: 0.6602443324717329
Energy: 0.809138737296619
Energy: 0.672373808252481
Energy: 0.6732916472297122
Energy: 0.6975348815580844
Energy: 0.6719414700304319
Energy: 0.6594647904355709
Energy: 0.8530176743309963
Energy: 0.6594601350196778
Energy: 0.6797730522070929
Energy: 0.6601314563782233
Energy: 0.6595670163338869
Energy: 0.679024568297724
Energy: 0.7239452235662791
Energy: 0.6607719164677182
Energy: 0.6602451102940056
Energy: 0.6610540670072813
Energy: 0.660761715341368
Energy: 0.6602776259252939
Energy: 0.8543653657367235
Energy: 0.7141319809508285
Energy: 0.7136094846067057
Energy: 0.6601087894897071
Energy: 0.7158532894844443
Energy: 0.6775031461832588
Energy: 0.7993956589928141
Energy: 0.6598850141664178
Energy: 0.6597099767199077
Energy: 0.6598930082121004
Energy: 0.6606049225080635
Energy: 0.6598334198333977

minimum gb energy = 0.6304170638570654 eV
minimum distance =  2.69031302466642 Angstroms
sigma value = 9


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

Energy: 0.5853633244669729
Energy: 0.625277439879238
Energy: 0.6090900720778687
Energy: 0.6207887688572582
Energy: 0.6266902630895359
Energy: 0.6222102943392943
Energy: 0.625392864534399
Energy: 0.6003157161199857
Energy: 0.6027694829933051
Energy: 0.6034262828001687
Energy: 0.6090484458336166
Energy: 0.6025706518112213
Energy: 0.6255260395363605
Energy: 0.6076293506366209
Energy: 0.6082949126972979
Energy: 0.6197483365348142
Energy: 0.6075521853243394
Energy: 0.6088285622483849
Energy: 0.7110129073995506
Energy: 0.6093172854418116
Energy: 0.6090205849070156
Energy: 0.6087685197098086
Energy: 0.6092219935142454
Energy: 0.6098162069553752
Energy: 0.6251079426812851
Energy: 0.6052345359900055
Energy: 0.6047491146764163
Energy: 0.6145700246979149
Energy: 0.609730676042999
Energy: 0.6170496474723178
Energy: 0.662807238533436
Energy: 0.6084667012592477
Energy: 0.6065245306013303
Energy: 0.613462406169303
Energy: 0.605789423583751
Energy: 0.6059015020065494
Energy: 0.6642138262762777
Energy: 0.6087251519972737
Energy: 0.6106900801903656
Energy: 0.6158583444293789
Energy: 0.6084085996860268
Energy: 0.6082867192857446
Energy: 0.6766047723067428
Energy: 0.6019525984311895
Energy: 0.6084939741826001
Energy: 0.6108524001786184
Energy: 0.599557435728842
Energy: 0.6084901323269032
Energy: 0.7799129851428087
Energy: 0.6141799755238901
Energy: 0.6090959770248285
Energy: 0.6079869136491034
Energy: 0.6086454616742596
Energy: 0.6100520848375172
Energy: 0.6390999907904653
Energy: 0.6086725573092657
Energy: 0.6081276582078494
Energy: 0.6076415766817698
Energy: 0.6104140110932629
Energy: 0.6067824836665853
Energy: 0.6390260296842005
Energy: 0.6085931922397764
Energy: 0.6097173725106467
Energy: 0.6047793595370985
Energy: 0.6093073999294208
Energy: 0.6170959791225306
Energy: 0.6429279427105992
Energy: 0.6146174196532804
Energy: 0.61577517447621
Energy: 0.6096106592617428
Energy: 0.6134738570829784
Energy: 0.6182986897601934
Energy: 0.9370486493745738
Energy: 0.6142476356187595
Energy: 0.6269646860289841
Energy: 0.6173369657856818
Energy: 0.73680190490168
Energy: 0.6153183530970193
Energy: 0.8754332650443075
Energy: 0.6156829125100896
Energy: 0.6157899034356279
Energy: 0.6094841829694668
Energy: 0.6182634682077264
Energy: 0.6182557233095262
Energy: 0.6570597522579037
Energy: 0.5879725425401284
Energy: 0.586728188285444
Energy: 0.6082821388010814
Energy: 0.5884940920039827
Energy: 0.6078354898330987
Energy: 0.6572075429079594
Energy: 0.6001114713278365
Energy: 0.6121039943183757
Energy: 0.6082291715661389
Energy: 0.6025789643348869
Energy: 0.6161369328531527
Energy: 0.6564958800126106
Energy: 0.6176175331678952
Energy: 0.6141597531875564
Energy: 0.603403966958
Energy: 0.6077853100892355
Energy: 0.6071780336062527
Energy: 0.7164920197078776
Energy: 0.6163765589672593
Energy: 0.613080134753969
Energy: 0.6006429306794738
Energy: 0.6115688778023948
Energy: 0.6129780711969716
Energy: 0.7107789006558439
Energy: 0.6002354169759949
Energy: 0.6007758304923483
Energy: 0.6163785148280075
Energy: 0.6019071342503215
Energy: 0.6013076434161388
Energy: 0.7092677596239483
Energy: 0.5983906356956911
Energy: 0.5975067845164477
Energy: 0.600601305778116
Energy: 0.6000576101469801
Energy: 0.5988893399740637
Energy: 0.710736565167232
Energy: 0.6135016811747196
Energy: 0.6120585969204456
Energy: 0.6166744412364018
Energy: 0.6163283432332238
Energy: 0.6002708017680122
Energy: 0.7406562163413013
Energy: 0.6181563822935346
Energy: 0.6074415996032888
Energy: 0.608657575550195
Energy: 0.6146386022652759
Energy: 0.6034954848597739
Energy: 0.8855124582073856
Energy: 0.6059151405864178
Energy: 0.6073575182252942
Energy: 0.6089858521096091
Energy: 0.6068928772140677
Energy: 0.606877394321657
Energy: 0.625571878784736
Energy: 0.6086765134232309
Energy: 0.6161339806226621
Energy: 0.6195813286719924
Energy: 0.6076875177671155
Energy: 0.61168521412645
Energy: 0.8477684479450082
Energy: 0.60860248501532
Energy: 0.6085956233254975
Energy: 0.602910843069759
Energy: 0.6087314656170322
Energy: 0.6071200470025727
Energy: 0.6252054505373199
Energy: 0.6089812525191866
Energy: 0.6186149245217286
Energy: 0.6135986288373598
Energy: 0.6096049132885598
Energy: 0.6163320927974684
Energy: 0.7681658679127342
Energy: 0.6077604373445783
Energy: 0.6076645780763279
Energy: 0.7473175675896104
Energy: 0.614176949528151
Energy: 0.60755446013177
Energy: 0.6634256368275016
Energy: 0.6082254489096562
Energy: 0.6093308108640115
Energy: 0.6164042690917811
Energy: 0.6085255005780238
Energy: 0.6167630576626104
Energy: 0.6632658746638459
Energy: 0.618328781876951
Energy: 0.6177426073656113
Energy: 0.6093906101164918
Energy: 0.6086652783072403
Energy: 0.6103543767483068
Energy: 0.6626486271931685
Energy: 0.6008968239595396
Energy: 0.607911935272406
Energy: 0.610037974995751
Energy: 0.6001388574702368
Energy: 0.6081282608662072
Energy: 0.639146310955503
Energy: 0.608614514306898
Energy: 0.61001915115087
Energy: 0.6050793906091592
Energy: 0.6077613737014971
Energy: 0.6085966736991588
Energy: 1.1106308869745216
Energy: 0.611382533303718
Energy: 0.6089817450071794
Energy: 0.6052735844992877
Energy: 0.62315433449801
Energy: 0.6068011343796762
Energy: 0.8768640243715097
Energy: 0.6190821868095688
Energy: 0.6084307291079619
Energy: 0.6080373723244767
Energy: 0.6170217759203547
Energy: 0.6080399021610837
Energy: 0.6926924759975748
Energy: 0.6165753089208906
Energy: 0.6158593658790744
Energy: 0.6156240246456252
Energy: 0.6143043797512835
Energy: 0.6077644164911302
Energy: 0.7808833499387883
Energy: 0.6160666742898196
Energy: 0.6159463468046854
Energy: 0.6082395885775693
Energy: 0.6163919332857882
Energy: 0.6166671742832891
Energy: 0.6782052233440892
Energy: 0.5882010628167634
Energy: 0.6028080211762763
Energy: 0.6095646346203503
Energy: 0.5872132220631584
Energy: 0.6119020568105564
Energy: 0.6570927717970888
Energy: 0.6102573197088274
Energy: 0.6018453220129406
Energy: 0.6079783899023152
Energy: 0.604968669937857
Energy: 0.6092131327137599
Energy: 0.6563393150257397
Energy: 0.6035143082726344
Energy: 0.6028775372538876
Energy: 0.6082526690801217
Energy: 0.6026991928442256
Energy: 0.6028906625191656
Energy: 0.6565273551895711
Energy: 0.60767693380041
Energy: 0.6178937308524379
Energy: 0.6084099058256824
Energy: 0.6086464981134275
Energy: 0.6143368841462363
Energy: 0.710900596749576
Energy: 0.6033736974420528
Energy: 0.6037034348468788
Energy: 0.6092547995898447
Energy: 0.6029484199021321
Energy: 0.6037402907523925
Energy: 0.7085989923478667
Energy: 0.5904180166660131
Energy: 0.58930959327661
Energy: 0.6024123772581125
Energy: 0.5910036383672451
Energy: 0.6002778421671001
Energy: 0.7107529368174377
Energy: 0.5985920067487165
Energy: 0.5984592170457146
Energy: 0.6198879077568852
Energy: 0.5996720745086667
Energy: 0.6002382735478339
Energy: 0.8855135195496716
Energy: 0.6066895122188957
Energy: 0.6072242204683462
Energy: 0.6091303884225683
Energy: 0.600866312528626
Energy: 0.6069706433238434

minimum gb energy = 0.5853633244669729 eV
minimum distance =  2.65287666074366 Angstroms
sigma value = 57


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

Energy: 0.9561840309058265
Energy: 0.4944127912740931
Energy: 0.3310035737426886
Energy: 0.3311737013535725
Energy: 0.5114876661575911
Energy: 0.7498499058294353
Energy: 0.6607160256949766
Energy: 0.48762146360737885
Energy: 0.4945059565671168
Energy: 0.48816242931461323
Energy: 0.4879843747674146
Energy: 0.4985091672759678
Energy: 0.6564081901815237
Energy: 0.4891603926876319
Energy: 0.4898584235060037
Energy: 0.49641129485102287
Energy: 0.49231431666805353
Energy: 0.514154239613905
Energy: 0.4907464487051608
Energy: 0.4893675193467733
Energy: 0.48936492591234815
Energy: 0.4908030839253925
Energy: 0.49313117493444514
Energy: 0.5135935981050883
Energy: 0.48911326022106105
Energy: 0.4992315652408169
Energy: 0.4979382149744369
Energy: 0.48794262302106384
Energy: 0.5001322360000312
Energy: 0.48816386526407013
Energy: 0.48851995534251874
Energy: 0.5004902709992742
Energy: 0.49995634986670795
Energy: 0.4881872885254928
Energy: 0.5017365213926461
Energy: 0.5006798276543136
Energy: 0.6803302704390795
Energy: 0.48954399192051934
Energy: 0.4933709823016779
Energy: 0.5118782578657185
Energy: 0.4904904161906995
Energy: 0.48817343830946786
Energy: 0.49391298750059315
Energy: 0.7127787964711604
Energy: 0.5027697898190124
Energy: 0.49241146808934044
Energy: 0.670857646264509
Energy: 0.48831624001154267
Energy: 0.7257164787542021
Energy: 0.717818738803811
Energy: 0.7148630010806004
Energy: 0.7145812786875224
Energy: 0.7147543642038339
Energy: 0.4939889967528882
Energy: 0.7005364294596198
Energy: 0.4946403419006693
Energy: 0.3300375076431614
Energy: 0.3311844181546063
Energy: 0.7205408068956605
Energy: 0.6708099468949124
Energy: 0.7000607543566109
Energy: 0.7121383995259573
Energy: 0.7095570933761698
Energy: 0.331347149435364
Energy: 0.7101182632948022
Energy: 0.669622188068957
Energy: 0.7244983080403348
Energy: 0.7160075560120108
Energy: 0.7181758175813723
Energy: 0.712449657266944
Energy: 0.7146954586767456
Energy: 0.48880405786089165
Energy: 0.49924694659852226
Energy: 0.49128147854959364
Energy: 0.4937946994070848
Energy: 0.5145488449592864
Energy: 0.516986872968584
Energy: 0.4932972286004996
Energy: 0.6723658082396347
Energy: 0.5133740923740927
Energy: 0.489887396276514
Energy: 0.5132947529419988
Energy: 0.4892638570657417
Energy: 0.5127951970818078
Energy: 0.4896927018246702
Energy: 0.5029691714421113
Energy: 0.5040960659154763
Energy: 0.4891669960023114
Energy: 0.5034946774012752
Energy: 0.5031604414232572
Energy: 0.6523172005808823
Energy: 0.4881492695794694
Energy: 0.5127556890383154
Energy: 0.4884443397936833
Energy: 0.49791403835376014
Energy: 0.4878299646118893
Energy: 0.6511705540838096
Energy: 0.489820641117152
Energy: 0.4900846411143572
Energy: 0.5162807831575041
Energy: 0.5150304641717417
Energy: 0.4903425428173373
Energy: 0.49614596984763776
Energy: 0.49380074970894217
Energy: 0.5018300413441844
Energy: 0.4923431021754375
Energy: 0.48813057624763384
Energy: 0.5144979779178382
Energy: 0.750903687699651
Energy: 0.4884272182757469
Energy: 0.49174563765412044
Energy: 0.3319589325702389
Energy: 0.48984802606665484
Energy: 0.4895587904438569

minimum gb energy = 0.3300375076431614 eV
minimum distance =  2.63076652985956 Angstroms
sigma value = 11


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

Energy: 1.0316185669807951
Energy: 0.5893148047714551
Energy: 0.6083196864994731
Energy: 0.4753024948916768
Energy: 0.590091535529057
Energy: 0.6073204204914231
Energy: 0.5038659320432527
Energy: 0.47088998841940644
Energy: 0.47318624360715694
Energy: 0.46896825552202337
Energy: 0.46888214370313763
Energy: 0.47299320386617644
Energy: 0.5127677734058592
Energy: 0.4688578342855113
Energy: 0.47025255696836465
Energy: 0.46818579479146283
Energy: 0.4684606678497278
Energy: 0.4702045736548575
Energy: 0.5121083792070972
Energy: 0.46968306980366736
Energy: 0.4696553000353878
Energy: 0.4681251904419095
Energy: 0.4684523714150346
Energy: 0.4697171312573824
Energy: 0.5039134477659561
Energy: 0.539839839497148
Energy: 0.5412036529516142
Energy: 0.46817095966107536
Energy: 0.5393855066330777
Energy: 0.4713140249371306
Energy: 0.5349713550336248
Energy: 0.47407711517680995
Energy: 0.4734863445213923
Energy: 0.46723434705570316
Energy: 0.47030324522954003
Energy: 0.5407175712467471
Energy: 0.5395945954949468
Energy: 0.4702109627030343
Energy: 0.470383615012095
Energy: 0.468463699550217
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Energy: 0.5174839109200372
Energy: 0.5762842168687813
Energy: 0.5769005192576521
Energy: 0.467233234132958
Energy: 0.575627015937476
Energy: 0.5813242530203372
Energy: 0.5387367553696156
Energy: 0.4688344105330377
Energy: 0.4702310842601607
Energy: 0.46879668396948504
Energy: 0.4689433336439035
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Energy: 0.6356116799814553
Energy: 0.4724637406673051
Energy: 0.5427338957539771
Energy: 0.47029826785779427
Energy: 0.4692317514073387
Energy: 0.472401983783455
Energy: 0.4693965584345919
Energy: 0.5387411437508494
Energy: 0.5414205065396079
Energy: 0.5388652257543043
Energy: 0.538625917729366
Energy: 0.5414787172484054
Energy: 0.6425249346484914
Energy: 0.467489765762228
Energy: 0.4689588614496744
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Energy: 0.5740987120117392
Energy: 0.47059597105307543
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Energy: 0.6459779477726146
Energy: 0.6106042056219757
Energy: 0.6098368221935198
Energy: 0.541183985920519
Energy: 0.5412508591170466
Energy: 0.6091813033684512
Energy: 0.6471017299679191
Energy: 0.4707824941271782
Energy: 0.4716259108456231
Energy: 0.5400973820586171
Energy: 0.4698941076927569
Energy: 0.5413675649449345
Energy: 0.7834783993449107
Energy: 0.5412050860068782
Energy: 0.6088638168723014
Energy: 0.5404982625677087
Energy: 0.5411677467867008
Energy: 0.6089933088956022
Energy: 0.8788179597222513
Energy: 0.48117980611806854
Energy: 0.4701105692714366
Energy: 0.6881848680386311
Energy: 0.4809258790910927
Energy: 0.4701776399688184
Energy: 1.0171368602879112
Energy: 0.540272269874845
Energy: 0.5404291406722174
Energy: 0.46834927873959115
Energy: 0.5393755602085029
Energy: 0.5406828389393521
Energy: 0.5586396386072358
Energy: 0.4703549608102247
Energy: 0.4697676959390085
Energy: 0.46888796715436765
Energy: 0.4693301746364958
Energy: 0.469285270473533
Energy: 0.7054032156637162
Energy: 0.5884727127445962
Energy: 0.5851357354163057
Energy: 0.5775669775625316
Energy: 0.5741916578040426
Energy: 0.5817445826206114
Energy: 0.7832453251778015
Energy: 0.5388532103629712
Energy: 0.5404441505305929
Energy: 0.5395065602150241
Energy: 0.606822675653119
Energy: 0.5399597303034896
Energy: 0.5058793957030511
Energy: 0.47118429840584464
Energy: 0.47179448633837845
Energy: 0.5390976956534044
Energy: 0.47086736199590185
Energy: 0.6096002776232474
Energy: 0.5077460094263052
Energy: 0.5404470592761758
Energy: 0.5418717036131873
Energy: 0.4681366115311711
Energy: 0.4720746248127533
Energy: 0.5411481513736448
Energy: 0.6180622281221971
Energy: 0.46780763033758943
Energy: 0.5730281166650211
Energy: 0.5739078852446376
Energy: 0.4687343085861219
Energy: 0.5744325810337001
Energy: 0.609763628119462
Energy: 0.46918339080693516
Energy: 0.4685755895273662
Energy: 0.575025302552872
Energy: 0.46834806436870857
Energy: 0.46780058685158826
Energy: 0.5530199266119142
Energy: 0.4689342025788083
Energy: 0.47111037592209937
Energy: 0.6059078037500681
Energy: 0.4685134667706245
Energy: 0.47136186750462616

minimum gb energy = 0.467233234132958 eV
minimum distance =  2.70524394329688 Angstroms
sigma value = 41


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

Energy: 1.1330716325029646
Energy: 0.5000751685056
Energy: 0.49959831569539453
Energy: 0.8901113533420756
Energy: 0.4989656835623299
Energy: 0.5160170547637548
Energy: 0.5408054320248977
Energy: 0.49885820828061567
Energy: 0.49825514754336875
Energy: 0.5006921320416864
Energy: 0.49977180779918184
Energy: 0.49835627770655017
Energy: 0.5385286424380813
Energy: 0.49907653341087016
Energy: 0.4988115283551701
Energy: 0.4998307239459557
Energy: 0.49961101840512306
Energy: 0.4986681459877668
Energy: 0.5386011606520681
Energy: 0.49945157392545
Energy: 0.49858872680184774
Energy: 0.5006689577063415
Energy: 0.4995459246540766
Energy: 0.4986478214045971
Energy: 0.54004288632586
Energy: 0.5047345266303854
Energy: 0.5029565624924724
Energy: 0.5023863648613691
Energy: 0.5044057270507858
Energy: 0.4981215226599416
Energy: 0.5879854906806065
Energy: 0.4997027762256487
Energy: 0.5005138186492565
Energy: 0.4997522615809791
Energy: 0.662265517569042
Energy: 0.4995698686293589
Energy: 0.5884118658958478
Energy: 0.5002545233456852
Energy: 0.4992173258184482
Energy: 0.4986789915541002
Energy: 0.5014180048279536
Energy: 0.49884734271161424
Energy: 0.5585899341027291
Energy: 0.4979657642512119
Energy: 0.49837269100488196
Energy: 0.4984555521007854
Energy: 0.501147934722418
Energy: 0.49852165382186536
Energy: 0.5894796476109412
Energy: 0.49753718805353875
Energy: 0.500303086374946
Energy: 0.4982423794711664
Energy: 0.5006756391949897
Energy: 0.4991574667613367
Energy: 0.8608359699706865
Energy: 0.4997180591760227
Energy: 0.49766227247517986
Energy: 0.5039380717163553
Energy: 0.5008437476558323
Energy: 0.4975422139166495
Energy: 0.58948627464077
Energy: 0.5003602196375784
Energy: 0.49942959485064414
Energy: 0.5036009696877554
Energy: 0.501256415767486
Energy: 0.4993921442761694
Energy: 0.5883921368078241
Energy: 0.4968110490451671
Energy: 0.496853811840243
Energy: 0.5011506499106
Energy: 0.4981713035434877
Energy: 0.4993000494845189
Energy: 0.5427765818668421
Energy: 0.4977221549813692
Energy: 0.49753581966458477
Energy: 0.5008274090836079
Energy: 0.49803132070028183
Energy: 0.49785969088775395
Energy: 0.5442019185443413
Energy: 0.49782190244198093
Energy: 0.497376002950448
Energy: 0.5016742693768655
Energy: 0.4986518749912631
Energy: 0.4970492101192071
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Energy: 0.497662136599512
Energy: 0.49775198121809755
Energy: 0.5005421905783441
Energy: 0.5141289646465731
Energy: 0.4983940523991107
Energy: 0.5416712959095741
Energy: 0.49902655314781547
Energy: 0.498235134274245
Energy: 0.5015099647270315
Energy: 0.49853755570447544
Energy: 0.49877229672643225
Energy: 0.6533067319247201
Energy: 0.5005508181088442
Energy: 0.5037107966231739
Energy: 0.8370846792846391
Energy: 0.498802460564438
Energy: 0.501928589797523
Energy: 0.5592022355859155
Energy: 0.5006762495658642
Energy: 0.4989351416317975
Energy: 0.4997758760063796
Energy: 0.5015146044227112
Energy: 0.4994532001274876
Energy: 0.5394786880119282
Energy: 0.49866042511986847
Energy: 0.49832254701675827
Energy: 0.501690348695927
Energy: 0.49908975464606203
Energy: 0.49895800757673664
Energy: 0.5384212573396671
Energy: 0.49907299534372723
Energy: 0.49819160676933827
Energy: 0.5005694278727898
Energy: 0.49907745298946016
Energy: 0.4981181220359985
Energy: 0.5409905620123232
Energy: 0.500703191843906
Energy: 0.5001671911696622
Energy: 0.5012805688848995
Energy: 0.4999169627597389
Energy: 0.4988667036165764
Energy: 0.9193837573611113
Energy: 0.6542948151691533
Energy: 0.6538142629474589
Energy: 0.49756654964542335
Energy: 0.6544598564431634
Energy: 0.6540337174061276
Energy: 0.5896430947306952
Energy: 0.49968230891543325
Energy: 0.4982259542527647
Energy: 0.5017894476386698
Energy: 0.5006490053603361
Energy: 0.49726973213122017
Energy: 0.5584933378383332
Energy: 0.5202669342957135
Energy: 0.5205030405384538
Energy: 0.5024996187906898
Energy: 0.5200392316906179
Energy: 0.4987590690576586
Energy: 0.5884900796254993
Energy: 0.5004084016639229
Energy: 0.49825453546311294
Energy: 0.49800838645941725
Energy: 0.5015909282182106
Energy: 0.4983308142476888
Energy: 0.5892872585614334
Energy: 0.5004939305929659
Energy: 0.49953079510090803
Energy: 0.5037914488599728
Energy: 0.5013043659666575
Energy: 0.49965988786759447
Energy: 0.8606358674982848
Energy: 0.4977302245236956
Energy: 0.49825937421770733
Energy: 0.5037187307475353
Energy: 0.5000319876648077
Energy: 0.49746737827002196
Energy: 0.5874017701309084
Energy: 0.5017073220810301
Energy: 0.5055152174096678
Energy: 0.5000753870408187
Energy: 0.5038144410776034
Energy: 0.4943648966494023
Energy: 0.6993451160419075
Energy: 0.4988993176754856
Energy: 0.49959777037739667
Energy: 0.49451069675585013
Energy: 0.4987766110418174
Energy: 0.5542164703133885
Energy: 0.5420482886400775
Energy: 0.4949461409235082
Energy: 0.5053911562858379
Energy: 0.5003241721568583
Energy: 0.5053388668192722
Energy: 0.5066542756061453
Energy: 0.5418343771281746
Energy: 0.49777792527065956
Energy: 0.49781472088332795
Energy: 0.5020347175271059
Energy: 0.6612306191498591
Energy: 0.49731939280285764
Energy: 0.5420774759770677
Energy: 0.49963695292119387
Energy: 0.4987079806759669
Energy: 0.49810961698239276
Energy: 0.4986299419566001
Energy: 0.4978941902425285
Energy: 0.6170562097734122
Energy: 0.49955119160101924
Energy: 0.5020512631749017
Energy: 0.5027121971776966
Energy: 0.49993334596903855
Energy: 0.49879892424926414

minimum gb energy = 0.4943648966494023 eV
minimum distance =  2.69021157534887 Angstroms
sigma value = 33


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

Energy: 0.6691436880573054
Energy: 0.5375817843363659
Energy: 0.5396422470178269
Energy: 0.5772223125390344
Energy: 0.5382036278761829
Energy: 0.5395493360981584
Energy: 0.586628278778157
Energy: 0.5399881557202058
Energy: 0.5380856904943443
Energy: 0.5412776668187128
Energy: 0.5397668088284929
Energy: 0.5376337161026021
Energy: 0.582872003589148
Energy: 0.5419719586370492
Energy: 0.540956349971864
Energy: 0.5431301650709744
Energy: 0.5436466483913095
Energy: 0.5408651413678995
Energy: 0.5831602575394197
Energy: 0.5417513770929191
Energy: 0.5409271105720906
Energy: 0.5413086607114654
Energy: 0.542820973029218
Energy: 0.5407637484738006
Energy: 0.5805771006873222
Energy: 0.5464590477455677
Energy: 0.5428224156622447
Energy: 0.5400167862597427
Energy: 0.5449997718537812
Energy: 0.5431398898585933
Energy: 0.5791977632587955
Energy: 0.5455358627970965
Energy: 0.5456880819644759
Energy: 0.5367017333063611
Energy: 0.546299883242169
Energy: 0.5453620544252556
Energy: 0.6147215289345994
Energy: 0.5482103629108805
Energy: 0.547760645981733
Energy: 0.5421606716424615
Energy: 0.5480663337130212
Energy: 0.5391548476697638
Energy: 0.6083799411749969
Energy: 0.5459301469344197
Energy: 0.5736879519830645
Energy: 0.5477662809759868
Energy: 0.5460104217596384
Energy: 0.5417314654287947
Energy: 0.6184644807946362
Energy: 0.5477835503524836
Energy: 0.5522557165820906
Energy: 0.5470594431903512
Energy: 0.5448257573241145
Energy: 0.5523719881661487
Energy: 0.6168916348807039
Energy: 0.5505901458942494
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Energy: 0.5424650487902848
Energy: 0.5456835644409437
Energy: 0.5444340297049738
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Energy: 0.5488779104155274
Energy: 0.5400111961146355
Energy: 0.6152515907533542
Energy: 0.5432602671761184
Energy: 0.5482920205822085
Energy: 0.5401546935383899
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Energy: 0.5522905904942734
Energy: 0.5794973404040692
Energy: 0.5392325408480333
Energy: 0.5407430583285997
Energy: 0.5398402561573628
Energy: 0.5387087482657432
Energy: 0.5404809044073261
Energy: 0.5960530692804187
Energy: 0.5402700219118957
Energy: 0.5393210433147333
Energy: 0.5405852202112693
Energy: 0.5413460706718912
Energy: 0.5397903766456761
Energy: 0.5540862770643656
Energy: 0.5406041744065172
Energy: 0.5398717898704927
Energy: 0.540865238762447
Energy: 0.5395670586052047
Energy: 0.5399235535376156
Energy: 0.5896298614885337
Energy: 0.5427556675812744
Energy: 0.5414138050913769
Energy: 0.5410713838883688
Energy: 0.5416669579180824
Energy: 0.5394464615544127
Energy: 0.6181468767626622
Energy: 0.5400210555583401
Energy: 0.5534864537642105
Energy: 0.5470659598970643
Energy: 0.5383209348555383
Energy: 0.5475526403386942
Energy: 0.6172503512646644
Energy: 0.5439587500191222
Energy: 0.5522701021990164
Energy: 0.5455267766897607
Energy: 0.5393906159134692
Energy: 0.5488320012948481
Energy: 0.6268056407982677
Energy: 0.5429621445787509
Energy: 0.5432024265833824
Energy: 0.5409206495398888
Energy: 0.541915010802047
Energy: 0.5495113828653054
Energy: 0.5599791313953391
Energy: 0.5412001031519579
Energy: 0.5443932808619283
Energy: 0.544492257420127
Energy: 0.541858918126721
Energy: 0.5501888300694526
Energy: 0.5591480251031739
Energy: 0.5479743612546756
Energy: 0.5478567941257702
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Energy: 0.5444469542307947
Energy: 0.5450720778555002
Energy: 0.551301094815494
Energy: 0.5478070652692029
Energy: 0.5826082295875092
Energy: 0.5410972474962387
Energy: 0.5390901145011651
Energy: 0.5497445629464063
Energy: 0.5417570441385814
Energy: 0.5478690297589617
Energy: 0.6128369969445717
Energy: 0.5389891973203444
Energy: 0.5368643493115571
Energy: 0.5403100941488078
Energy: 0.5390876259174556
Energy: 0.5370529545787656
Energy: 0.6124478746208716
Energy: 0.5412847024216718
Energy: 0.5463058266449535
Energy: 0.5481252283351916
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Energy: 0.5466526481334401
Energy: 0.5837862516566144
Energy: 0.5409061844656526
Energy: 0.5385641696347565
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Energy: 0.5823464992325644
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Energy: 0.5424540768429532
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Energy: 0.6171760606064045
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Energy: 0.5468438281813788
Energy: 0.6174098811212605
Energy: 0.5430454631443873
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Energy: 0.5438721831076486
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Energy: 0.5611780807408725
Energy: 0.5480728875566733
Energy: 0.552041691474965
Energy: 0.543349443106124
Energy: 0.5477148066597993
Energy: 0.5524499159733229
Energy: 0.5608900552505959
Energy: 0.546172525103602
Energy: 0.5488709332538455
Energy: 0.5466135713353513
Energy: 0.7298762307932095
Energy: 0.541271651245568
Energy: 0.5829917616324763
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Energy: 0.5394392905250825
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Energy: 0.5441059592513027
Energy: 0.538810011924879
Energy: 0.6045598291438083
Energy: 0.5401306594242209
Energy: 0.5384135452800044
Energy: 0.5394663768827785
Energy: 0.5391102866924282
Energy: 0.5394587827287944

minimum gb energy = 0.5363469835502561 eV
minimum distance =  2.7008295434811 Angstroms
sigma value = 67


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

Energy: 0.8994730443504855
Energy: 0.5777188819756927
Energy: 0.6409628406051442
Energy: 0.6405735868592395
Energy: 0.578643170283975
Energy: 0.6414770571778023
Energy: 0.6403571689714008
Energy: 0.5921822133257651
Energy: 0.5918761431637983
Energy: 0.591475650373037
Energy: 0.5924001336160983
Energy: 0.5926483546851864
Energy: 0.614652361081672
Energy: 0.5767055515887936
Energy: 0.5694587603310756
Energy: 0.5703424933923077
Energy: 0.5764678905893463
Energy: 0.5691114415060222
Energy: 0.6142271287084773
Energy: 0.5694983725253456
Energy: 0.5696980295637339
Energy: 0.5701366441340365
Energy: 0.5695767861541036
Energy: 0.5694378933310337
Energy: 0.6392418282712858
Energy: 0.5948079583434859
Energy: 0.5950399699891741
Energy: 0.5944890917660612
Energy: 0.5931422069050896
Energy: 0.5951505066446459
Energy: 0.6401558344181354
Energy: 0.5830306105034199
Energy: 0.5959886498445438
Energy: 0.5951852674453286
Energy: 0.585526572459982
Energy: 0.595602783738212
Energy: 0.6539397340922208
Energy: 0.592739491210581
Energy: 0.5921578050126557
Energy: 0.5781370337233293
Energy: 0.5923604664589615
Energy: 0.5921596999632165

minimum gb energy = 0.5691114415060222 eV
minimum distance =  2.7080167102403 Angstroms
sigma value = 3


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

Energy: 0.8331059878841651
Energy: 0.7555636936375513
Energy: 0.6069510454277683
Energy: 0.6845347394811049
Energy: 0.8393585572709106
Energy: 0.6880743244912315
Energy: 0.655728011269049
Energy: 0.6572157395743383
Energy: 0.6506087048152404
Energy: 0.6468522477132073
Energy: 0.6567533111916669
Energy: 0.6495207772366729
Energy: 0.6902708596580358
Energy: 0.6586441183288455
Energy: 0.6499406784247581
Energy: 0.672862351500143
Energy: 0.673098579451936
Energy: 0.6735590506532798
Energy: 0.6546637750080885
Energy: 0.6623255645554286
Energy: 0.6498371148840161
Energy: 0.642491293993291
Energy: 0.6389873279130939
Energy: 0.6533668558630381
Energy: 0.6378542912554862
Energy: 0.6213145318240341
Energy: 0.620503238354325
Energy: 0.6217944470626883
Energy: 0.6199271105673967
Energy: 0.6187724522947536
Energy: 0.665280851916734
Energy: 0.6206242834244624
Energy: 0.6189577805374109
Energy: 0.6366552004676104
Energy: 0.6189911727560313
Energy: 0.6172976634884261
Energy: 0.6381832798357516
Energy: 0.6147467783423808
Energy: 0.6148949951428271
Energy: 0.6188084743293252
Energy: 0.618684437146538
Energy: 0.626784042800262
Energy: 0.807034416990406
Energy: 0.6557439915665403
Energy: 0.6685617384580135
Energy: 0.6837105829357895
Energy: 0.6586211640636805
Energy: 0.6726094382983202
Energy: 0.6376181833975093
Energy: 0.6505454395984496
Energy: 0.6501230248436706
Energy: 0.6192643032274658
Energy: 0.6204085523580382
Energy: 0.6501578008167842
Energy: 0.6652160220898531
Energy: 0.6800281440729903
Energy: 0.6778933930747268
Energy: 0.6667994457556885
Energy: 0.6820160009658442
Energy: 0.6811541694903805
Energy: 0.6736781601424934
Energy: 0.6349413752774778
Energy: 0.6359967754482215
Energy: 0.6166511983628151
Energy: 0.6032382317757086
Energy: 0.618795707675283
Energy: 0.6741999067292355
Energy: 0.6157716152120621
Energy: 0.6164690431838433
Energy: 0.6250107253143842
Energy: 0.6195115846079475
Energy: 0.6181701760995163
Energy: 0.6529247986809164
Energy: 0.616222293316944
Energy: 0.616163625155627
Energy: 0.6008834348894948
Energy: 0.6139474039624248
Energy: 0.6196917398754807
Energy: 0.7262385530158103
Energy: 0.7184055884298004
Energy: 0.7181849279240029
Energy: 0.649578085103864
Energy: 0.6427098132182891
Energy: 0.6512071798642219
Energy: 0.7197814916955261
Energy: 0.671426092134099
Energy: 0.6717574583902227
Energy: 0.6399295196604738
Energy: 0.6733901147226113
Energy: 0.6723223857547147
Energy: 0.7237831400828819
Energy: 0.6438050350178646
Energy: 0.6480507014984392
Energy: 0.6527003356668275
Energy: 0.656855606287072
Energy: 0.6514066576874935
Energy: 0.7239073263314886
Energy: 0.6852093372191785
Energy: 0.6843453773184724
Energy: 0.646738882393187
Energy: 0.6853920475908302
Energy: 0.6607148408475936
Energy: 0.7509133874198703
Energy: 0.6510598755390742
Energy: 0.6558247912330303
Energy: 0.656105173766233
Energy: 0.6554309415639215
Energy: 0.6543944752673281
Energy: 0.7512761706596427
Energy: 0.6513176098715002
Energy: 0.6488223833492873
Energy: 0.6709671937615632
Energy: 0.6599222990596754
Energy: 0.666842266828417
Energy: 0.7036998525469531
Energy: 0.6532824239448967
Energy: 0.6489785134778301
Energy: 0.6670792844094459
Energy: 0.6636047155909531
Energy: 0.6672020942556154
Energy: 0.6427888961990276
Energy: 0.6044009458724473
Energy: 0.602499167098017
Energy: 0.6040923201950433
Energy: 0.6036828403526612
Energy: 0.6022797780120303
Energy: 0.6432926761696658
Energy: 0.6040990453733965
Energy: 0.604165955266979
Energy: 0.6020970584151144
Energy: 0.6058115355575661
Energy: 0.6037675868889613
Energy: 0.6420565710437977
Energy: 0.6018471134752624
Energy: 0.5996377513290788
Energy: 0.6047959346117598
Energy: 0.6031883671903103
Energy: 0.6017231260812081
Energy: 0.6677397925121739
Energy: 0.6821566240305009
Energy: 0.6756073179946164
Energy: 0.6391785832648903
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Energy: 0.6719516417699933
Energy: 0.6535952819414607
Energy: 0.6574446539841876
Energy: 0.6551146828780883
Energy: 0.6446344955445268
Energy: 0.6496509282510242
Energy: 0.6527048046870059
Energy: 0.7621052082347576
Energy: 0.6651263281547588
Energy: 0.6484065845597301
Energy: 0.6387200590699842
Energy: 0.6564655384602727
Energy: 0.6291654367602342
Energy: 0.6568118393572663
Energy: 0.6676990324831348
Energy: 0.6350941417092786
Energy: 0.6364252516203986
Energy: 0.6660119506350202
Energy: 0.6324611931549633
Energy: 0.6739923909074564
Energy: 0.6581871197699828
Energy: 0.6571773085666277
Energy: 0.6421059990862759
Energy: 0.6522343597849727
Energy: 0.6539429684775895
Energy: 0.6910171933888383
Energy: 0.675391925102529
Energy: 0.6754930514514941
Energy: 0.6723959457881484
Energy: 0.6739082968539472
Energy: 0.6701561034530046
Energy: 0.7174173651509151
Energy: 0.6168091344037888
Energy: 0.6163659618473518
Energy: 0.6947933878420995
Energy: 0.6002884561646468
Energy: 0.6146578907223273
Energy: 0.6652919992398694
Energy: 0.6351007193842246
Energy: 0.6352470724510781
Energy: 0.6357269725231094
Energy: 0.6346181691831454
Energy: 0.6346857290777396
Energy: 0.6375007577475243
Energy: 0.6178875800591064
Energy: 0.6170536627552837
Energy: 0.6202001530422898
Energy: 0.6229554688894966
Energy: 0.6146996739086549
Energy: 0.730603611670747
Energy: 0.6626483895244002
Energy: 0.6621867303023832
Energy: 0.6890157427245572
Energy: 0.6623160061265545
Energy: 0.653381569233581
Energy: 0.7567573920842365
Energy: 0.6151333348137445
Energy: 0.6168381390517201
Energy: 0.6570266048803665
Energy: 0.6188644387201925
Energy: 0.6205776886649216
Energy: 0.6375628887033254
Energy: 0.6341231962057919
Energy: 0.6312736166129467
Energy: 0.6173974029522696
Energy: 0.6334199748496099
Energy: 0.6164632781395365
Energy: 0.6910450030983266
Energy: 0.6786438292017757
Energy: 0.6768682674317343
Energy: 0.6131894285770446
Energy: 0.681877174570695
Energy: 0.6800749740237673
Energy: 0.6740188799884987
Energy: 0.613574199158616
Energy: 0.6129449921509027
Energy: 0.621894461285132
Energy: 0.620029791356002
Energy: 0.6148317443170952
Energy: 0.6526997776614085
Energy: 0.6372794694305168
Energy: 0.6347961430132899
Energy: 0.6063781486755668
Energy: 0.6341006378681181
Energy: 0.6370213821751968
Energy: 0.6407356494707269
Energy: 0.6138186510508171
Energy: 0.6134481326547524
Energy: 0.6029350669733814
Energy: 0.6201891547356426
Energy: 0.6160703657769587
Energy: 0.6759497089768264
Energy: 0.6714463249910279
Energy: 0.6558180432853726
Energy: 0.6455475776536358
Energy: 0.6726099020675931
Energy: 0.6601136459710426
Energy: 0.7252530074162915
Energy: 0.6451048847677595
Energy: 0.6526619832206668
Energy: 0.648511423387362
Energy: 0.6450741606901635
Energy: 0.6476132389167243
Energy: 0.7231383200198281
Energy: 0.621965360676947
Energy: 0.6517984144796076
Energy: 0.6501208431755972
Energy: 0.6520162948558376
Energy: 0.6544531384900132
Energy: 0.7510083955748433
Energy: 0.6716531681569277
Energy: 0.6804955641813304
Energy: 0.6523470205435351
Energy: 0.6880472249905052
Energy: 0.6625377042315193
Energy: 0.7534003220497469
Energy: 0.6493342028932959
Energy: 0.6507465983479352
Energy: 0.6558356968246235
Energy: 0.6448732370349376
Energy: 0.6529388443542271
Energy: 0.7777123407042256
Energy: 0.6721513152481396
Energy: 0.6752538529487384
Energy: 0.6807138874122842
Energy: 0.640591994036333
Energy: 0.6757989339414597
Energy: 0.6420005476070625
Energy: 0.6009640440999661
Energy: 0.6011169592060099
Energy: 0.6035115920750352
Energy: 0.6044445935174587
Energy: 0.6012009907717806
Energy: 0.6436355614042241
Energy: 0.6040251244111532
Energy: 0.6041589901950482
Energy: 0.6057489236840273
Energy: 0.6024237387106202
Energy: 0.6039810384036605
Energy: 0.6421016480956293
Energy: 0.6036461706205788
Energy: 0.6027514809853495
Energy: 0.602951304351532
Energy: 0.6026886408425115
Energy: 0.6022226128488044
Energy: 0.6978894324466797
Energy: 0.6642153707326852
Energy: 0.6468068307047554
Energy: 0.6668897789393866
Energy: 0.6598222051216862
Energy: 0.6483127384774304
Energy: 0.6900077149171338
Energy: 0.6556946350112414
Energy: 0.6568538033687337
Energy: 0.6740370118599854
Energy: 0.6587692984079175
Energy: 0.6500046494665284
Energy: 0.6432467734312862
Energy: 0.6146093527802967
Energy: 0.6554011947651159
Energy: 0.6329072703256846
Energy: 0.6157236529050272
Energy: 0.6557139133530792

minimum gb energy = 0.5996377513290788 eV
minimum distance =  2.67710235098113 Angstroms
sigma value = 81


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

Energy: 0.7224683482737251
Energy: 0.6693554492592261
Energy: 0.648351598313672
Energy: 0.6485182693432624
Energy: 0.676078405281385
Energy: 0.7264761924862302
Energy: 0.7547672730729834
Energy: 0.6205729546563993
Energy: 0.6947735915268947
Energy: 0.6207565224765256
Energy: 0.5834691698243868
Energy: 0.6168479610055826
Energy: 0.7757892813910929
Energy: 0.6570229483578436
Energy: 0.6590903665791801
Energy: 0.6315050408245567
Energy: 0.6570676563875563
Energy: 0.622918107724008
Energy: 0.7548463954534117
Energy: 0.6618379142943658
Energy: 0.6172225914697197
Energy: 0.6704227282406725
Energy: 0.662138516399792
Energy: 0.6172149610539719
Energy: 0.7941767640237701
Energy: 0.6476584517679301
Energy: 0.7624321078102507
Energy: 0.6442137299536213
Energy: 0.6490339555540114
Energy: 0.6770548602341822
Energy: 0.6796743045749256
Energy: 0.6399391478956218
Energy: 0.6511162144794888
Energy: 0.6766562738818866
Energy: 0.6497646486774935
Energy: 0.6503172501677189
Energy: 0.7955423382223269
Energy: 0.6371935741500059
Energy: 0.6427870549669302
Energy: 0.6418658772987839
Energy: 0.6498518675664396
Energy: 0.6436767018160706
Energy: 0.8695106850974145
Energy: 0.7739433157893241
Energy: 0.774556757685311
Energy: 0.7119712905339879
Energy: 0.778272329898598
Energy: 0.7570322998920584
Energy: 0.8603535398889022
Energy: 0.7727099267539096
Energy: 0.7767427813861972
Energy: 0.7878638750098266
Energy: 0.7684512438346912
Energy: 0.7747051521051606
Energy: 0.6353805559000051
Energy: 0.7128918638033376
Energy: 0.7148366208947085
Energy: 0.768612197016172
Energy: 0.7144948749439606
Energy: 0.7098644996587301
Energy: 0.8529527177978508
Energy: 0.6449885342719714
Energy: 0.7218965953649964
Energy: 0.7905030039725623
Energy: 0.645038455572314
Energy: 0.7792876245253044
Energy: 0.7341665636000585
Energy: 0.713648601517117
Energy: 0.7118943117332797
Energy: 0.6562692942230494
Energy: 0.7120656901591226
Energy: 0.7132166174352012
Energy: 0.7373212341642433
Energy: 0.7445099702272484
Energy: 0.7141536766550258
Energy: 0.6563598256167957
Energy: 0.7137196736340524
Energy: 0.6588084458499716
Energy: 0.8203925346104571
Energy: 0.7373063314731996
Energy: 0.7372359379227129
Energy: 0.7355451369160035
Energy: 0.7449524647803055
Energy: 0.7368397661539424
Energy: 0.8742137470728879
Energy: 0.7802230101000751
Energy: 0.7815178863428532
Energy: 0.7774054780316279
Energy: 0.7967286111247883
Energy: 0.7809181315232508
Energy: 0.8724391410739852
Energy: 0.7943555153739417
Energy: 0.786255270916789
Energy: 0.7814626635426479
Energy: 0.7936860219894742
Energy: 0.7864309224398109
Energy: 0.8755018344163105
Energy: 0.7137053861134929
Energy: 0.7190585414701111
Energy: 0.7890233344031428
Energy: 0.7178897509079756
Energy: 0.7127118577881437
Energy: 0.8492563386634288
Energy: 0.742772149976931
Energy: 0.7421233499509531
Energy: 0.7470068152991662
Energy: 0.7484994996705787
Energy: 0.7423169584923275
Energy: 0.8456085596977767
Energy: 0.767442595081492
Energy: 0.7761258746411037
Energy: 0.7448476409261222
Energy: 0.771184624167746
Energy: 0.7788148540902318
Energy: 0.8455423507925082
Energy: 0.7711741079016264
Energy: 0.7757707603912604
Energy: 0.7821450350461906
Energy: 0.770611657092941
Energy: 0.7795981546930469
Energy: 0.7389721392302481
Energy: 0.6871169982372991
Energy: 0.6868575591924104
Energy: 0.6877897335079928
Energy: 0.6882754703074748
Energy: 0.6867958587602095
Energy: 0.7954334944252478
Energy: 0.6587905130363435
Energy: 0.6731585435525723
Energy: 0.7323911146325724
Energy: 0.6588195959215174
Energy: 0.6736233123297773
Energy: 0.7982975712905829
Energy: 0.7365192653191152
Energy: 0.7364746689942938
Energy: 0.7399844682405881
Energy: 0.7222979756181962
Energy: 0.7368391856401264
Energy: 0.8149570181551095
Energy: 0.7778172383904178
Energy: 0.7796384728319863
Energy: 0.7817092197903227
Energy: 0.7836662493910442
Energy: 0.780284303692281
Energy: 0.8080176685895974
Energy: 0.7790047482363044
Energy: 0.7779988891534033
Energy: 0.7791868920489029
Energy: 0.7768642950797885
Energy: 0.7781854225756845
Energy: 0.808858392181788
Energy: 0.7954406780334121
Energy: 0.795376864607238
Energy: 0.7188056082615146
Energy: 0.7966719445872129
Energy: 0.7973550837297092
Energy: 0.8086662602366631
Energy: 0.7727356555190933
Energy: 0.7717486891460165
Energy: 0.7138736311511673
Energy: 0.7715484461391954
Energy: 0.772537979233902
Energy: 0.8597236680792755
Energy: 0.7057512710932776
Energy: 0.6413172534573405
Energy: 0.6616049343711183
Energy: 0.7103799661184194
Energy: 0.7787897290184543
Energy: 0.6347408255013388
Energy: 0.7074216209727483
Energy: 0.7123196616015303
Energy: 0.7682365969204339
Energy: 0.7077252721348669
Energy: 0.7187999231268457
Energy: 0.6420794052220055
Energy: 0.7149423144184348
Energy: 0.7148493321430041
Energy: 0.7188221187375302
Energy: 0.7169607149108566
Energy: 0.7152659846809489
Energy: 0.7396465738650697
Energy: 0.71142283996729
Energy: 0.712456079581089
Energy: 0.6577257604331468
Energy: 0.7317695214505662
Energy: 0.657694841327661
Energy: 0.7988745518770174
Energy: 0.6008973148888962
Energy: 0.6016129017125049
Energy: 0.6139623259301076
Energy: 0.6194413870624913
Energy: 0.6089301939565027
Energy: 0.8465735747078006
Energy: 0.6494825764618032
Energy: 0.6516533709676902
Energy: 0.6503752635012889
Energy: 0.6533241344874738
Energy: 0.6495516732617718
Energy: 0.8466691543026752
Energy: 0.6484220592989954
Energy: 0.6495874640620252
Energy: 0.6396371175495424
Energy: 0.6504396806654116
Energy: 0.6662116053717857
Energy: 0.8687456770433477
Energy: 0.6846263058796308
Energy: 0.6869174027761579
Energy: 0.71967139965355
Energy: 0.7111712726558678
Energy: 0.691469651929185
Energy: 0.8399427280080701
Energy: 0.714577326432517
Energy: 0.7145617546312448
Energy: 0.6787721939360566
Energy: 0.7164896182635362
Energy: 0.8199468801641593
Energy: 0.8939033827782783
Energy: 0.6923687645228608
Energy: 0.6921102939863679
Energy: 0.6964986020860247
Energy: 0.7298039524270236
Energy: 0.6920062979577334
Energy: 0.8126496396619506
Energy: 0.6719273814706884
Energy: 0.6496865795727255
Energy: 0.6446352920898334
Energy: 0.670943989658172
Energy: 0.7097801666797778

minimum gb energy = 0.5834691698243868 eV
minimum distance =  2.52405080040511 Angstroms
sigma value = 43


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

Energy: 0.8961754504723539
Energy: 0.6392124115127299
Energy: 0.6021612646553814
Energy: 0.7031895342033658
Energy: 0.6380155925159491
Energy: 0.7225974005122795
Energy: 0.6503831163905713
Energy: 0.5839948155329976
Energy: 0.6013281036466963
Energy: 0.6399263489891234
Energy: 0.5828224784512569
Energy: 0.6023338096163676
Energy: 0.6494996235040414
Energy: 0.62326839547331
Energy: 0.6227638070726845
Energy: 0.6519242098618022
Energy: 0.6230422666073561
Energy: 0.6444826696387614
Energy: 0.6514286202131373
Energy: 0.6233884229652341
Energy: 0.6015338804259454
Energy: 0.6421579049060118
Energy: 0.6233376719855919
Energy: 0.6517451087992635
Energy: 0.6171836297120036
Energy: 0.5692119264811806
Energy: 0.5693393366730988
Energy: 0.5698398756989375
Energy: 0.5691539219421295
Energy: 0.5692776283959831
Energy: 0.6147608063041639
Energy: 0.5690788948257616
Energy: 0.5691611338824805
Energy: 0.5692935733533998
Energy: 0.5694305073408741
Energy: 0.569268599966126
Energy: 0.6139570396813805
Energy: 0.5700759639640585
Energy: 0.570201346447177
Energy: 0.5707074756859136
Energy: 0.5700408382310574
Energy: 0.5703680235439827
Energy: 0.6835474997293178
Energy: 0.6500079585339246
Energy: 0.6480709683660264
Energy: 0.6108201538321802
Energy: 0.6540393835660916
Energy: 0.664519345560502
Energy: 0.6147477298524998
Energy: 0.6409866230701835
Energy: 0.641456951512288
Energy: 0.5819662937623711
Energy: 0.6474856760027957
Energy: 0.6425862696198241
Energy: 0.7584446620088725
Energy: 0.6666977866229807
Energy: 0.657211138703751
Energy: 0.6310824577144976
Energy: 0.6679355117538068
Energy: 0.6685809608423594
Energy: 0.6182600119649342
Energy: 0.6367433229581542
Energy: 0.6347242992667866
Energy: 0.5834607320484206
Energy: 0.6639424548061689
Energy: 0.5819544448734144
Energy: 0.7078816715449602
Energy: 0.6427292735829324
Energy: 0.6462894537819196
Energy: 0.5872111939924104
Energy: 0.6459858073571769
Energy: 0.6447819379192317
Energy: 0.7125765914420434
Energy: 0.6500534241210352
Energy: 0.6623426117111366
Energy: 0.6270199360579979
Energy: 0.6471823306235144
Energy: 0.6782316458401161
Energy: 0.6162728167730536
Energy: 0.5817703474577715
Energy: 0.5818380549128543
Energy: 0.582827177795386
Energy: 0.5823741307234955
Energy: 0.5818348855266755
Energy: 0.6144682122114369
Energy: 0.583765564624581
Energy: 0.5824592548903056
Energy: 0.5835789144124095
Energy: 0.5704207389952927
Energy: 0.582336996049994
Energy: 0.6124180876486811
Energy: 0.570480808149748
Energy: 0.573201884472521
Energy: 0.5881976730471163
Energy: 0.5703597923064336
Energy: 0.5881994817017951
Energy: 0.6293813511620809
Energy: 0.6104474797243251
Energy: 0.61031643454157
Energy: 0.6081608743164091
Energy: 0.5862163039861673
Energy: 0.6093996160196159
Energy: 0.6301317083036612
Energy: 0.6078830376803601
Energy: 0.6082156404071188
Energy: 0.6102756776648107
Energy: 0.6075585438238478
Energy: 0.6080680438103665
Energy: 0.7300915436891438
Energy: 0.6086645658225129
Energy: 0.6093091882615913
Energy: 0.6677890695847989
Energy: 0.609545219138674
Energy: 0.6503627146732591
Energy: 0.7325470815915558
Energy: 0.6083823249263727
Energy: 0.6094164174147054
Energy: 0.6680147277361274
Energy: 0.6112460159414085
Energy: 0.6506786013666136
Energy: 0.6323549323291054
Energy: 0.6603032798644554
Energy: 0.6076971914011443
Energy: 0.6096295866348769
Energy: 0.5953258876225653
Energy: 0.6077808612564972
Energy: 0.6749998524164138
Energy: 0.6693014474335265
Energy: 0.6957827523242892
Energy: 0.611893727963224
Energy: 0.6447434391648962
Energy: 0.7345544168176852
Energy: 0.7176679042759248
Energy: 0.6100752525855004
Energy: 0.6108777566922377
Energy: 0.6020792617140946
Energy: 0.6096364964001717
Energy: 0.6106866428454293
Energy: 0.659224502931106
Energy: 0.6091233789493788
Energy: 0.6095009324414496
Energy: 0.5953538276257819
Energy: 0.6092545479163063
Energy: 0.6087525152425575
Energy: 0.718712443599632
Energy: 0.6107776022847329
Energy: 0.6086747887571985
Energy: 0.5915938574248489
Energy: 0.6122174190521881
Energy: 0.6085312152139462
Energy: 0.6416308713301964
Energy: 0.5831062932208081
Energy: 0.583079045961322
Energy: 0.5821994879042671
Energy: 0.5821049292228294
Energy: 0.5831194367954389
Energy: 0.6423419419439356
Energy: 0.5823608293211383
Energy: 0.5822976955792433
Energy: 0.5813711490653658
Energy: 0.5821789903627356
Energy: 0.5821349767580442
Energy: 0.6393444521677478
Energy: 0.5854567631161994
Energy: 0.5852923097264847
Energy: 0.5825113828223416
Energy: 0.5825696035577941
Energy: 0.5818250651869149
Energy: 0.6646741140282986
Energy: 0.6453022057353246
Energy: 0.650281913490534
Energy: 0.6655892426525468
Energy: 0.6223015776114208
Energy: 0.6113087517660438
Energy: 0.6496321357481173
Energy: 0.5831347247601484
Energy: 0.5829634338417948
Energy: 0.6456660145279067
Energy: 0.5827008010905008
Energy: 0.6418680063480595
Energy: 0.7559948074596118
Energy: 0.6019611891205796
Energy: 0.63446544683532
Energy: 0.6844983716453554
Energy: 0.6019658072995062
Energy: 0.637137696051043

minimum gb energy = 0.5690788948257616 eV
minimum distance =  2.67928579223579 Angstroms
sigma value = 57


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

Energy: 0.8037241929140874
Energy: 0.6606988290077889
Energy: 0.724437994462829
Energy: 0.580147492620826
Energy: 0.7750916038717218
Energy: 0.6942656627789019
Energy: 0.6226732930088122
Energy: 0.5592839820666463
Energy: 0.5577784564492162
Energy: 0.5569753144282881
Energy: 0.5568482896724538
Energy: 0.5575157857904058
Energy: 0.6296118252990338
Energy: 0.5623109216475708
Energy: 0.5617421237800341
Energy: 0.6104643791701754
Energy: 0.5627596837435188
Energy: 0.5614732626915439
Energy: 0.6634869227614016
Energy: 0.5616652475998464
Energy: 0.5611332331148636
Energy: 0.5568503354822554
Energy: 0.5613397162307676
Energy: 0.5578969029292166
Energy: 0.6032154969055269
Energy: 0.5562487099631769
Energy: 0.5560430404066165
Energy: 0.5567211878785286
Energy: 0.5607922136365577
Energy: 0.5558577030729704
Energy: 0.5895714318496872
Energy: 0.5556995773154763
Energy: 0.5557693129281873
Energy: 0.5557386635993024
Energy: 0.5559335596430153
Energy: 0.5557771849184882
Energy: 0.686423551327323
Energy: 0.5592727331860684
Energy: 0.5578026175072295
Energy: 0.5571190544265658
Energy: 0.5570821765748917
Energy: 0.5707276789341317
Energy: 0.6042700741167322
Energy: 0.6095107610335914
Energy: 0.6093663980833329
Energy: 0.5658043758741234
Energy: 0.6207376676540094
Energy: 0.6094704376163775
Energy: 0.6852570584737396
Energy: 0.6085539234163923
Energy: 0.6090112900975405
Energy: 0.5568421685544095
Energy: 0.6076295643402438
Energy: 0.5580657331117592
Energy: 0.6231513213565445
Energy: 0.6150595567127043
Energy: 0.6278941081572039
Energy: 0.6199255155262975
Energy: 0.61608152555447
Energy: 0.6243644203893153
Energy: 0.6292418505801536
Energy: 0.5725122771826153
Energy: 0.5566662189194755
Energy: 0.6101187954931379
Energy: 0.5716247120186143
Energy: 0.6086278502364761
Energy: 0.5864723730907779
Energy: 0.6089864036044675
Energy: 0.6092655911421268
Energy: 0.5585242922940459
Energy: 0.6087432018810947
Energy: 0.625700484132778
Energy: 0.5854386120088341
Energy: 0.6101727521810331
Energy: 0.6798229275693298
Energy: 0.6631669881876038
Energy: 0.6136430306478945
Energy: 0.6566220998445982
Energy: 0.6241307336985767
Energy: 0.5598875261983585
Energy: 0.5578577685048467
Energy: 0.6085148235999003
Energy: 0.5619808751945569
Energy: 0.5577001376378413
Energy: 0.6437528686208432
Energy: 0.5596316479665904
Energy: 0.5590591791498207
Energy: 0.6186047838519457
Energy: 0.5565829913639325
Energy: 0.5613505370817427
Energy: 0.6644819294062423
Energy: 0.5581830898027341
Energy: 0.5571080005285137
Energy: 0.5584804622829287
Energy: 0.5576867556667395
Energy: 0.5573801056009732
Energy: 0.6046792869423683
Energy: 0.5558897634734972
Energy: 0.5559185596690694
Energy: 0.5560418249800227
Energy: 0.555886832060527
Energy: 0.555962951918701
Energy: 0.6037525190715923
Energy: 0.5564414284176227
Energy: 0.5607300689348851
Energy: 0.5564140072250443
Energy: 0.5560917145819866
Energy: 0.5607136186966859
Energy: 0.6880922809872285
Energy: 0.6104323142849359
Energy: 0.6103012754309393
Energy: 0.5603622129595359
Energy: 0.617062871072602
Energy: 0.6107562230819478
Energy: 0.6872233391737501
Energy: 0.6096625128305633
Energy: 0.6097081943989351
Energy: 0.6091643084278269
Energy: 0.609963666944619
Energy: 0.6092349760955297
Energy: 0.6839059284480387
Energy: 0.6122192185482884
Energy: 0.5587797831971804
Energy: 0.5568719184777954
Energy: 0.6112272142108247
Energy: 0.55756710160151
Energy: 0.7070323499461025
Energy: 0.6260814079937003
Energy: 0.6459921199196952
Energy: 0.6611017989495401
Energy: 0.6143716886494792
Energy: 0.6668242638691431
Energy: 0.6250963311593566
Energy: 0.6078231712497482
Energy: 0.5605653763778554
Energy: 0.6089458818730609
Energy: 0.6086886233906641
Energy: 0.5577384119159684
Energy: 0.5851158386293843
Energy: 0.6100720003163742
Energy: 0.6795154564600082
Energy: 0.6627906816348044
Energy: 0.6101774380407928
Energy: 0.654725183434088

minimum gb energy = 0.5556995773154763 eV
minimum distance =  2.68069880963201 Angstroms
sigma value = 17


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

Energy: 0.8429112273829062
Energy: 0.6989861301973216
Energy: 0.6195415408655454
Energy: 0.5389547764542008
Energy: 0.7523954123272784
Energy: 0.5398555061393134
Energy: 0.7255890476009859
Energy: 0.5437607413950887
Energy: 0.5439932953420659
Energy: 0.6564464613262948
Energy: 0.5437882340828126
Energy: 0.5462114297695999
Energy: 0.6745504581705205
Energy: 0.524400100434508
Energy: 0.5234341778049275
Energy: 0.5582106035611832
Energy: 0.5257402017466053
Energy: 0.522320386383989
Energy: 0.6840247850986088
Energy: 0.525014935398194
Energy: 0.5240178918678947
Energy: 0.6320194189081905
Energy: 0.5248995233350675
Energy: 0.5453538001219695
Energy: 0.6788285194085091
Energy: 0.5077815483326299
Energy: 0.5079738252003401
Energy: 0.5141223287287964
Energy: 0.508079382960907
Energy: 0.5084943504082432
Energy: 0.5964746721337365
Energy: 0.5129034211743664
Energy: 0.5130418162258872
Energy: 0.5013796547650321
Energy: 0.5131239086375148
Energy: 0.5005110120671458
Energy: 0.6214652218697391
Energy: 0.4984597526706999
Energy: 0.49646058644230723
Energy: 0.5008565940882219
Energy: 0.49786040495594935
Energy: 0.4991431069550296
Energy: 0.5755783469594071
Energy: 0.49643054112445084
Energy: 0.4965096883523036
Energy: 0.4968586758435956
Energy: 0.49695665128455696
Energy: 0.49723037200579273
Energy: 0.536705716384214
Energy: 0.4994439360854801
Energy: 0.4994939235587873
Energy: 0.4948410534353961
Energy: 0.49672419320390193
Energy: 0.4993338431477082
Energy: 0.5746105308235416
Energy: 0.5134307514252139
Energy: 0.5133741491246508
Energy: 0.5118819967619905
Energy: 0.5135841869322707
Energy: 0.5132227248296952
Energy: 0.6190613684016827
Energy: 0.50953666701319
Energy: 0.5087055620600351
Energy: 0.5081577840781552
Energy: 0.5094284743702
Energy: 0.5081140319090394
Energy: 0.6794103518851753
Energy: 0.5434401861428276
Energy: 0.5447686670910225
Energy: 0.5163605647525578
Energy: 0.5430144896782501
Energy: 0.5452099690794301
Energy: 0.6787768024306857
Energy: 0.5578077949013956
Energy: 0.5578902514104453
Energy: 0.5177972766569394
Energy: 0.558217988491067
Energy: 0.5580198688315976
Energy: 0.7026257761023006
Energy: 0.5588317288390475
Energy: 0.5307725814724218
Energy: 0.6524028915749505
Energy: 0.5574517020599669
Energy: 0.5305051246530681
Energy: 0.6767363051989671
Energy: 0.5798004504534121
Energy: 0.5811627927413302
Energy: 0.5590101292544192
Energy: 0.6206823705533274
Energy: 0.581046829551404
Energy: 0.7263038913350205
Energy: 0.5448062386039221
Energy: 0.5459071971996887
Energy: 0.5576182947209267
Energy: 0.5626925976105634
Energy: 0.5456858508961444
Energy: 0.7171029404979724
Energy: 0.5577441341757913
Energy: 0.605146791192359
Energy: 0.5348428082802353
Energy: 0.55780869452742
Energy: 0.5915422213072223

minimum gb energy = 0.4948410534353961 eV
minimum distance =  2.67191415611287 Angstroms
sigma value = 17


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

Energy: 0.5861965365714584
Energy: 0.6178918421914806
Energy: 0.5310102598224631
Energy: 0.49472619090963715
Energy: 0.6179316562007695
Energy: 0.4920712865825445
Energy: 0.7477334319710927
Energy: 0.491956486795443
Energy: 0.49463767442050804
Energy: 0.5181916308147482
Energy: 0.514102675966736
Energy: 0.49532073041827707
Energy: 0.7916456447682378
Energy: 0.46183414180977117
Energy: 0.4847496189911023
Energy: 0.5117809510124443
Energy: 0.4621115896714414
Energy: 0.48398002517425565
Energy: 0.6833359365379342
Energy: 0.4851561881264055
Energy: 0.4845119385799706
Energy: 0.59701615266181
Energy: 0.4602096323393467
Energy: 0.48372386841071024
Energy: 0.6107080155764542
Energy: 0.4762771449514664
Energy: 0.46958687858643805
Energy: 0.4806661103428796
Energy: 0.4687476120493754
Energy: 0.4698951559562229
Energy: 0.5663384010946214
Energy: 0.4683973680765013
Energy: 0.4564019830574846
Energy: 0.45912371823841447
Energy: 0.46838910965674746
Energy: 0.4567855272226314
Energy: 0.5767960667415207
Energy: 0.47782286353534154
Energy: 0.4555698848873322
Energy: 0.4591485848117013
Energy: 0.4756125022438948
Energy: 0.4551436694200576
Energy: 0.5722810921110479
Energy: 0.4485664946785103
Energy: 0.4517655106110148
Energy: 0.4557847044247436
Energy: 0.4552932262153333
Energy: 0.45370854725139564
Energy: 0.5891493144696894
Energy: 0.45285701848312343
Energy: 0.4526950262528248
Energy: 0.5186572543670999
Energy: 0.4574541714697964
Energy: 0.45785997696551267
Energy: 0.5220430943362446
Energy: 0.45516587868077724
Energy: 0.4551679904334164
Energy: 0.46683909769877896
Energy: 0.4550340213000984
Energy: 0.45519238229479153
Energy: 0.5211967787382786
Energy: 0.4537086739951502
Energy: 0.4543421784189146
Energy: 0.4537917586861283
Energy: 0.4627732372105897
Energy: 0.4544824818732874
Energy: 0.5812186204223395
Energy: 0.45804942133131965
Energy: 0.45804536671065527
Energy: 0.4583141309320761
Energy: 0.45181801779802444
Energy: 0.4525806681445077
Energy: 0.5476277296574046
Energy: 0.45152115130075465
Energy: 0.4513082645989851
Energy: 0.4529692973009475
Energy: 0.456392718797687
Energy: 0.4514699187453836
Energy: 0.6024354725008393
Energy: 0.45511100580566277
Energy: 0.4548934502297693
Energy: 0.4744443788216389
Energy: 0.45781093158955777
Energy: 0.455095362300151
Energy: 0.6015628009533499
Energy: 0.4626015085475745
Energy: 0.4623344054592364
Energy: 0.46857007439442294
Energy: 0.46130165118878314
Energy: 0.46939286514968165
Energy: 0.600548534836843
Energy: 0.46928665984157414
Energy: 0.4697526986590578
Energy: 0.4754448685078535
Energy: 0.503156796301977
Energy: 0.4710893615208365
Energy: 0.588587485356946
Energy: 0.6189800252718539
Energy: 0.5043322048790906
Energy: 0.4747206316198066
Energy: 0.5129024052837501
Energy: 0.47368152081374804
Energy: 0.610815986551165
Energy: 0.512124411928248
Energy: 0.5127738470379289
Energy: 0.47366992483689957
Energy: 0.5122962885168821
Energy: 0.4732665490375027
Energy: 0.6849153619248198
Energy: 0.5131128820428721
Energy: 0.4953178462199235
Energy: 0.514295865119697
Energy: 0.47292375855210034
Energy: 0.49375933474394046
Energy: 0.6539102143306224
Energy: 0.49317319585994995
Energy: 0.4927041534475446
Energy: 0.5136025794283595
Energy: 0.4936593058635466
Energy: 0.5390648635310388
Energy: 0.6888098415807569
Energy: 0.5181955451161862
Energy: 0.49506225716306157
Energy: 0.5211518468916344
Energy: 0.5187669228196952
Energy: 0.4947388104908137
Energy: 0.5868904745740601
Energy: 0.5376737013981289
Energy: 0.5455640079949166
Energy: 0.49140209448419375
Energy: 0.537548806671598
Energy: 0.4900996494900326
Energy: 0.6724273604211415
Energy: 0.5148365261442803
Energy: 0.492074468195298
Energy: 0.49124164710472995
Energy: 0.5148207206553654
Energy: 0.5276919457338674
Energy: 0.6881161883458448
Energy: 0.47633233780973383
Energy: 0.5049700487766845
Energy: 0.512557671439761
Energy: 0.48899428158847724
Energy: 0.5137312705314447
Energy: 0.6736469808334671
Energy: 0.46207098525950047
Energy: 0.4848809288325774
Energy: 0.5128246115392106
Energy: 0.46283140449222626
Energy: 0.4840418474245357
Energy: 0.6760102656815664
Energy: 0.4734140199106292
Energy: 0.47339829472569256
Energy: 0.47000425932846557
Energy: 0.4735241730316823
Energy: 0.4736694640909101
Energy: 0.566945155651579
Energy: 0.4708896100523629
Energy: 0.46961483605560034
Energy: 0.4587442800327293
Energy: 0.47100014262351264
Energy: 0.4731913595255827
Energy: 0.5803224952817561
Energy: 0.47672051389431286
Energy: 0.4766722330372418
Energy: 0.462922119654964
Energy: 0.47050848163100684
Energy: 0.47100698339877817
Energy: 0.5703239298916122
Energy: 0.4528893878852202
Energy: 0.4527449634915519
Energy: 0.4531138117487982
Energy: 0.45301646417079144
Energy: 0.4571404608168715
Energy: 0.5837005605339155
Energy: 0.4488164436788436
Energy: 0.45193473914560117
Energy: 0.525105484935645
Energy: 0.4494180329216668
Energy: 0.45124149410558045
Energy: 0.5867751894718892
Energy: 0.4511747506500287
Energy: 0.4511573360396946
Energy: 0.5864343506668783
Energy: 0.45045186846080354
Energy: 0.4514186031338404
Energy: 0.522700339010335
Energy: 0.45126830307247423
Energy: 0.45232034388587294
Energy: 0.45369960964058553
Energy: 0.4513920388209499
Energy: 0.4523016861825182
Energy: 0.5444706546576001
Energy: 0.5237492056160276
Energy: 0.5235611650299327
Energy: 0.4522190014709469
Energy: 0.525796448215875
Energy: 0.5213713275544752
Energy: 0.547659371930375
Energy: 0.4549368629438946
Energy: 0.455085392591547
Energy: 0.4542953789170815
Energy: 0.4580367374844369
Energy: 0.45497213024174743
Energy: 0.6028272677661684
Energy: 0.45592598807576495
Energy: 0.4555945541639181
Energy: 0.5362511187986013
Energy: 0.4548185540412707
Energy: 0.4554996137728466
Energy: 0.601824496175496
Energy: 0.45612706307659145
Energy: 0.4696873972805673
Energy: 0.4685065876578455
Energy: 0.4562806179740417
Energy: 0.4687750255978452
Energy: 0.5402944587540497
Energy: 0.47010786126388476
Energy: 0.46954184580015607
Energy: 0.46851705775723573
Energy: 0.4704543660202206
Energy: 0.468801950191624
Energy: 0.5833516873891104
Energy: 0.5138657908495015
Energy: 0.4945516485837114
Energy: 0.4690423670277264
Energy: 0.513121194051939
Energy: 0.474396488218133
Energy: 0.5761003990030431
Energy: 0.5127453990240971
Energy: 0.49294205753204234
Energy: 0.47543570787969097
Energy: 0.513512195631562
Energy: 0.4926359008855598
Energy: 0.6822226707440654
Energy: 0.5199136294481913
Energy: 0.5136764655984086
Energy: 0.472970289192799
Energy: 0.5201703869869085
Energy: 0.49474229239655626
Energy: 0.7489106808999793
Energy: 0.48020659380776043
Energy: 0.5441820149681126
Energy: 0.5405317659030417
Energy: 0.4803425283123677
Energy: 0.5526357848989141
Energy: 0.689885564822598
Energy: 0.5090746994748754
Energy: 0.5073281863339925
Energy: 0.5125540494950497
Energy: 0.5085478878841502
Energy: 0.5129057333637134
Energy: 0.6734614234227819
Energy: 0.511737277273099
Energy: 0.5124129457645596
Energy: 0.5162754882707886
Energy: 0.5115579985900444
Energy: 0.5275916368581732

minimum gb energy = 0.4485664946785103 eV
minimum distance =  2.6708031958735 Angstroms
sigma value = 57


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

Energy: 0.5387294305494129
Energy: 0.597576673322347
Energy: 0.48802900601715443
Energy: 0.4347446992147382
Energy: 0.6203854585127905
Energy: 0.4882256211877203
Energy: 0.695532121609155
Energy: 0.4404153367334743
Energy: 0.4401026718450018
Energy: 0.47538917328597025
Energy: 0.47884451205350725
Energy: 0.4580604939602661
Energy: 0.7514728521582372
Energy: 0.42568963391018305
Energy: 0.4256137114029906
Energy: 0.4695518104517909
Energy: 0.4254560501776246
Energy: 0.44749916240251914
Energy: 0.6349181221453492
Energy: 0.4253174566223486
Energy: 0.4477370779810021
Energy: 0.470844979792499
Energy: 0.4239055251450885
Energy: 0.44766422260164407
Energy: 0.5696263509609084
Energy: 0.44147365754359624
Energy: 0.44134215182493924
Energy: 0.442177520486652
Energy: 0.44209025828814147
Energy: 0.4391860999523567
Energy: 0.5315523247803139
Energy: 0.43328631028725717
Energy: 0.4227359259016043
Energy: 0.4172965583209024
Energy: 0.43327019391221666
Energy: 0.42339596428083287
Energy: 0.5438083192585207
Energy: 0.4413728816040688
Energy: 0.4385867313215169
Energy: 0.4190102503629625
Energy: 0.4409119404660216
Energy: 0.41851895322716115
Energy: 0.5447134881107354
Energy: 0.41218475017725137
Energy: 0.41280369668209244
Energy: 0.42241942221269574
Energy: 0.4118023287118957
Energy: 0.4168251814331147
Energy: 0.5461571658728268
Energy: 0.41868957598935486
Energy: 0.4164913371500842
Energy: 0.4204636624030579
Energy: 0.4673157317245254
Energy: 0.42436351526489535
Energy: 0.5471815846718717
Energy: 0.4116372098657581
Energy: 0.411541739258969
Energy: 0.4179810775986823
Energy: 0.41192425568734786
Energy: 0.4115846040021549
Energy: 0.5371387728498416
Energy: 0.40818963161349725
Energy: 0.4076784071093522
Energy: 0.40864439635107913
Energy: 0.41125360366152675
Energy: 0.4081356195543446
Energy: 0.5436573674680175
Energy: 0.5169692711319133
Energy: 0.4140091722874206
Energy: 0.4126487561690362
Energy: 0.4651180935803466
Energy: 0.41399345560204864
Energy: 0.5250293250993302
Energy: 0.47904252084316407
Energy: 0.47807591911537545
Energy: 0.4086829013189542
Energy: 0.47883500505886867
Energy: 0.41626787781679064
Energy: 0.5349904766041548
Energy: 0.41198020128142054
Energy: 0.4119380343286
Energy: 0.534421995638101
Energy: 0.4119213415103578
Energy: 0.5194067478316269
Energy: 0.5343357656136383
Energy: 0.4097357680265176
Energy: 0.40854596533323567
Energy: 0.45073864339017167
Energy: 0.4094671679474237
Energy: 0.40798655920513904
Energy: 0.5544898069563627
Energy: 0.4536880198462196
Energy: 0.4140646574510508
Energy: 0.41002496211106837
Energy: 0.418931355304557
Energy: 0.41422128739335795
Energy: 0.5355411111630208
Energy: 0.41553189862778556
Energy: 0.4157641205387005
Energy: 0.4104139248991389
Energy: 0.42463389191213957
Energy: 0.4165147441294316
Energy: 0.551570842540691
Energy: 0.41590128850013564
Energy: 0.4162343444231028
Energy: 0.47735205177424916
Energy: 0.4160255568898328
Energy: 0.41675022063500505
Energy: 0.5689031817556054
Energy: 0.41950625829587496
Energy: 0.41953019210483083
Energy: 0.44175657256509904
Energy: 0.4238325032258352
Energy: 0.4416606754748233
Energy: 0.5695381243707439
Energy: 0.4200951511427405
Energy: 0.4227633482501809
Energy: 0.4394699739701868
Energy: 0.42989206893494325
Energy: 0.4404302002067887
Energy: 0.644006900723458
Energy: 0.43989855427549673
Energy: 0.4388144154937143
Energy: 0.439353068849433
Energy: 0.43969745022236023
Energy: 0.4393069476833232
Energy: 0.5348728270019713
Energy: 0.47100650560730134
Energy: 0.4362620254329614
Energy: 0.4207424508840156
Energy: 0.47081868677392513
Energy: 0.43684710805470567
Energy: 0.5787458501955949
Energy: 0.46939023499641247
Energy: 0.4700490148960146
Energy: 0.4474412191675449
Energy: 0.46924489541908615
Energy: 0.4710335305272843
Energy: 0.6952305913379134
Energy: 0.4401555092183432
Energy: 0.43430640309034524
Energy: 0.44260166127881456
Energy: 0.44121979040426657
Energy: 0.4345460455731023
Energy: 0.7382565967294938
Energy: 0.44322340801447274
Energy: 0.45406112096033735
Energy: 0.48611187540163686
Energy: 0.44109311585840383
Energy: 0.4897436326196337
Energy: 0.755929112592889
Energy: 0.4768755687152114
Energy: 0.43785517316663947
Energy: 0.4768011322621179
Energy: 0.4766269400110289
Energy: 0.4580361968604063
Energy: 0.5375833634020049
Energy: 0.4865843939691907
Energy: 0.4677731500806283
Energy: 0.42927889930782714
Energy: 0.48637540300499765
Energy: 0.46762455129406355

minimum gb energy = 0.4076784071093522 eV
minimum distance =  2.6849116785409 Angstroms
sigma value = 43


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

Energy: 0.4491479842521688
Energy: 0.4761301530517285
Energy: 0.4267352014277167
Energy: 0.3675939782489388
Energy: 0.47558670972080325
Energy: 0.4088923235478818
Energy: 0.6222857348486625
Energy: 0.35426267961045443
Energy: 0.35466620274650584
Energy: 0.3809194279339893
Energy: 0.35383160909505307
Energy: 0.3600659031943663
Energy: 0.6266586097293522
Energy: 0.35360902135863953
Energy: 0.35972665883226457
Energy: 0.3772738467579537
Energy: 0.35316514158854245
Energy: 0.35954365801429555
Energy: 0.5485588344975929
Energy: 0.35988310045592603
Energy: 0.3597133223207925
Energy: 0.35367495453587366
Energy: 0.4339001177051839
Energy: 0.36845210139079304
Energy: 0.4922144494717406
Energy: 0.3540168811586341
Energy: 0.35422591030894585
Energy: 0.35697389246376005
Energy: 0.353917535789852
Energy: 0.3550404374430754
Energy: 0.4385309605251689
Energy: 0.35451357418939144
Energy: 0.35084043312835966
Energy: 0.3879293309333571
Energy: 0.3541473851185672
Energy: 0.3474115741753791
Energy: 0.5464830934125829
Energy: 0.35652370313635945
Energy: 0.36820592811720104
Energy: 0.3450406546204335
Energy: 0.35716351481482356
Energy: 0.3431614146576678
Energy: 0.583961654278752
Energy: 0.3402067668018148
Energy: 0.34051539989670654
Energy: 0.4022844657639999
Energy: 0.3398599145976449
Energy: 0.3683822708499777
Energy: 0.4658513063889388
Energy: 0.3843269699096855
Energy: 0.3434678023973037
Energy: 0.3864821243375561
Energy: 0.3467625719691338
Energy: 0.3857057197663738
Energy: 0.45552054473597114
Energy: 0.3384391176884126
Energy: 0.3382319090815676
Energy: 0.3435190498917877
Energy: 0.33851981730372915
Energy: 0.33784899533767393
Energy: 0.4355014466315013
Energy: 0.33606450722193243
Energy: 0.3345070657797473
Energy: 0.3364834170332518
Energy: 0.36159989263256304
Energy: 0.33418191039436673
Energy: 0.4664648398968817
Energy: 0.3760793751663644
Energy: 0.3353427830021235
Energy: 0.33706912471007894
Energy: 0.41880460403216635
Energy: 0.3367424439392924
Energy: 0.466110238721912
Energy: 0.37764567870096627
Energy: 0.3804788693163383
Energy: 0.3384968014686796
Energy: 0.3746233922378316
Energy: 0.3790210937428406
Energy: 0.4408656364913561
Energy: 0.3714925206025176
Energy: 0.40720761841814856
Energy: 0.40901148258897396
Energy: 0.37593298016060955
Energy: 0.4081454452508202
Energy: 0.4405281373186387
Energy: 0.33459431859518524
Energy: 0.3346702011163704
Energy: 0.41331209358193416
Energy: 0.3347944470984136
Energy: 0.3334652717421956
Energy: 0.43749095384250386
Energy: 0.3964925591090201
Energy: 0.33100307592549233
Energy: 0.3317287951869962
Energy: 0.41403232586435357
Energy: 0.3307520362050042
Energy: 0.44297313732440613
Energy: 0.4133532566665454
Energy: 0.356794162472985
Energy: 0.3343116281750388
Energy: 0.40548653794369277
Energy: 0.33348539632445556
Energy: 0.4365285423333394
Energy: 0.3736403364831557
Energy: 0.33606467942175045
Energy: 0.355998791116248
Energy: 0.3741682564794789
Energy: 0.33646447151067516
Energy: 0.4369598468863979
Energy: 0.372477538089073
Energy: 0.40281416648596463
Energy: 0.40464219331075457
Energy: 0.371966586526754
Energy: 0.4050226865513511
Energy: 0.4361763608826387
Energy: 0.37162943921580455
Energy: 0.3389789690530917
Energy: 0.3403598060507896
Energy: 0.37205445965866585
Energy: 0.3391989393226608
Energy: 0.4520876979951839
Energy: 0.35523642343947753
Energy: 0.33894689098063746
Energy: 0.3376640912032195
Energy: 0.4117153407028722
Energy: 0.3398278356254501
Energy: 0.43968200733110274
Energy: 0.38019341706468485
Energy: 0.33125936705632464
Energy: 0.3324656460829441
Energy: 0.3332090540598958
Energy: 0.3313578339575649
Energy: 0.4517740119267037
Energy: 0.33517919533588436
Energy: 0.33539780622667964
Energy: 0.35926707463714586
Energy: 0.3347201130296011
Energy: 0.3350936500447855
Energy: 0.4500781544362569
Energy: 0.37865437619655734
Energy: 0.416880875658738
Energy: 0.41810103880216404
Energy: 0.3402273927283622
Energy: 0.41761183417074976
Energy: 0.4884801400925777
Energy: 0.3829975871102557
Energy: 0.38539618724810126
Energy: 0.33799838454155823
Energy: 0.37953005010085095
Energy: 0.38581554263846496
Energy: 0.4892683946359004
Energy: 0.3443308062840964
Energy: 0.34418342921216
Energy: 0.3359675549715219
Energy: 0.3860818671020034
Energy: 0.33473823101913286
Energy: 0.43713542616271894
Energy: 0.3413950217948856
Energy: 0.34170629009517295
Energy: 0.34040833385027913
Energy: 0.3427388780881835
Energy: 0.34015090966526773
Energy: 0.4870002400032564
Energy: 0.3457043920466559
Energy: 0.3454133770013461
Energy: 0.35527710995343936
Energy: 0.34617296471093306
Energy: 0.3424423058999072
Energy: 0.488861915921311
Energy: 0.3501752852424436
Energy: 0.35436373062191223
Energy: 0.3533977870498885
Energy: 0.35204350491345676
Energy: 0.35397206334588954
Energy: 0.5938536772575854
Energy: 0.3471087227108961
Energy: 0.3502229326494623
Energy: 0.35492180523659017
Energy: 0.346396409561275
Energy: 0.37584519729841537
Energy: 0.591325030677431
Energy: 0.35623068405948605
Energy: 0.3581468229420973
Energy: 0.35687894087797545
Energy: 0.35674408759725984
Energy: 0.3546835139715459
Energy: 0.44334747146723064
Energy: 0.37752440913376256
Energy: 0.3644933040883301
Energy: 0.3749815521986751
Energy: 0.3777554882850157
Energy: 0.38698411662992543
Energy: 0.5012266179351049
Energy: 0.38072399378943195
Energy: 0.3798277560585671
Energy: 0.367015681985447
Energy: 0.38076893414519486
Energy: 0.35727444010054266
Energy: 0.5945172128529659
Energy: 0.3744091161793513
Energy: 0.3746370478855064
Energy: 0.3712337484456368
Energy: 0.4463061881214324
Energy: 0.3912078908536979
Energy: 0.6264598969910656
Energy: 0.36495183401493425
Energy: 0.37507094845025213
Energy: 0.40016814015932944
Energy: 0.4050740221016186
Energy: 0.3749809947109426
Energy: 0.5929615221040812
Energy: 0.38080112696186286
Energy: 0.3806180315373116
Energy: 0.38084261317813367
Energy: 0.3809092285022271
Energy: 0.3594539583727577

minimum gb energy = 0.3307520362050042 eV
minimum distance =  2.69783500921547 Angstroms
sigma value = 81


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

Energy: 0.3797772764337048
Energy: 0.5206780888816432
Energy: 0.011678082023217266
Energy: 0.012787042851078319
Energy: 0.4833116868691399
Energy: 0.3800001461994497
Energy: 0.710113037007552
Energy: 0.5081523220241309
Energy: 0.4769259847704114
Energy: 0.5164401756171981
Energy: 0.5141614215698684
Energy: 0.6117839536126496
Energy: 0.692329045138169
Energy: 0.011597002227742357
Energy: 0.011655773472798805
Energy: 0.5263431108910785
Energy: 0.011528008855335493
Energy: 0.03760486157594568
Energy: 0.7286655077446594
Energy: 0.01159230821916171
Energy: 0.011633391984478032
Energy: 0.6009702171095803
Energy: 0.01153733866352272
Energy: 0.03725072982082179
Energy: 0.03691224902768556
Energy: 0.6244590586052542
Energy: 0.587522203577653
Energy: 0.037578560203867135
Energy: 0.6109620954933696
Energy: 0.6240698085796414
Energy: 0.012097867620386898
Energy: 0.5253446325775012
Energy: 0.011516994264550922
Energy: 0.013164364379236888
Energy: 0.5090765279909548
Energy: 0.011583713956142086
Energy: 0.7518321362806422
Energy: 0.6009038567726537
Energy: 0.6132563630606291
Energy: 0.6240940689170148
Energy: 0.617252450489005
Energy: 0.6009179332869887
Energy: 0.6786371589023541
Energy: 0.011517637458573858
Energy: 0.011583026328118353
Energy: 0.6243543163779813
Energy: 0.011479864056699337
Energy: 0.011582043809086343
Energy: 0.6780022698716727
Energy: 0.011715758519121
Energy: 0.03856249276865755
Energy: 0.5155683920880674
Energy: 0.011561049760798114
Energy: 0.03829899776899151
Energy: 0.3803011285163894
Energy: 0.5171880049427898
Energy: 0.4945750141328553
Energy: 0.011910491130749658
Energy: 0.4786830504917677
Energy: 0.5159696627605078

minimum gb energy = 0.011479864056699337 eV
minimum distance =  2.60691977052442 Angstroms
sigma value = 3


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

Energy: 0.42832123534098115
Energy: 0.4247268466222363
Energy: 0.425612861006402
Energy: 0.39134499309546494
Energy: 0.4247760364271036
Energy: 0.3964951818172292
Energy: 0.4554386672983644
Energy: 0.4292006085376738
Energy: 0.427945999307102
Energy: 0.42979242532654793
Energy: 0.43555630411554
Energy: 0.4270924907728304
Energy: 0.45533936518389817
Energy: 0.4020240788764836
Energy: 0.4022645370623139
Energy: 0.4341848875929915
Energy: 0.40287548904133746
Energy: 0.4183074890194932
Energy: 0.4991864456961374
Energy: 0.4027140119814998
Energy: 0.40223237940483064
Energy: 0.48376967116744923
Energy: 0.4047697488082998
Energy: 0.41907496317247184
Energy: 0.4171576278005421
Energy: 0.43164718826274234
Energy: 0.42811032163615426
Energy: 0.41127215051877647
Energy: 0.4325240730961425
Energy: 0.4275035765551602
Energy: 0.40749666408111895
Energy: 0.4301360299595177
Energy: 0.41443755988236636
Energy: 0.38286522208301993
Energy: 0.43059235042141797
Energy: 0.39537689399485787
Energy: 0.44502399716400814
Energy: 0.43459725009091305
Energy: 0.4325683519713374
Energy: 0.42722471602099565
Energy: 0.4356105149366094
Energy: 0.4285853775852248
Energy: 0.44354552047807355
Energy: 0.4062161653102963
Energy: 0.4067251333041564
Energy: 0.43004879643401844
Energy: 0.3882070810250957
Energy: 0.4070323028128545
Energy: 0.43645407726319035
Energy: 0.40796396189148704
Energy: 0.42139671955907376
Energy: 0.43260744497147463
Energy: 0.42026802389623613
Energy: 0.42918881006387544
Energy: 0.4303982190250801
Energy: 0.4210666201769621
Energy: 0.4234942438906342
Energy: 0.4302561713663591
Energy: 0.4165601279472048
Energy: 0.4176719045686521
Energy: 0.41511185146743007
Energy: 0.4145285648287136
Energy: 0.4147884858874651
Energy: 0.38097209024840933
Energy: 0.42366527333537174
Energy: 0.3976188195914826
Energy: 0.4007122244299699
Energy: 0.42194395272815
Energy: 0.4231806654390341
Energy: 0.40069690887118253
Energy: 0.421368387570897
Energy: 0.4025870838524749
Energy: 0.398945935369421
Energy: 0.3910636567744507
Energy: 0.40463640525190603
Energy: 0.3990297546020988
Energy: 0.37250646516535474
Energy: 0.4052646467141026
Energy: 0.417100525156501
Energy: 0.4062905821378769
Energy: 0.4055059419952649
Energy: 0.4008356978331436
Energy: 0.4273920617667293
Energy: 0.4087766771085965
Energy: 0.41716327254927377
Energy: 0.3829880306092954
Energy: 0.382437049212117
Energy: 0.41658832648111077
Energy: 0.3893245343847583
Energy: 0.38280559001130443
Energy: 0.4157097879247255
Energy: 0.39672474955142234
Energy: 0.40097568535923284
Energy: 0.3976364495598311
Energy: 0.41521810528765946
Energy: 0.4014316416681889
Energy: 0.37622777878466906
Energy: 0.40161838060985666
Energy: 0.40069738692283463
Energy: 0.37604552824894144
Energy: 0.3970735598601413
Energy: 0.3758783263655806
Energy: 0.37613956804782933
Energy: 0.39501393437038274
Energy: 0.39533175167461243
Energy: 0.37614997233605546
Energy: 0.38050571050716825
Energy: 0.3956381202011414
Energy: 0.4112169659034893
Energy: 0.4126574580948295
Energy: 0.3948812672265371
Energy: 0.37961107922997145
Energy: 0.4152089977705444
Energy: 0.3951498374254656
Energy: 0.41642026360847617
Energy: 0.3757372133006121
Energy: 0.37544039895097314
Energy: 0.41718705391892524
Energy: 0.3814988677367003
Energy: 0.3755783065399407
Energy: 0.415864153692229
Energy: 0.3963904432797467
Energy: 0.40129206209060536
Energy: 0.4148551938837256
Energy: 0.39857458433758014
Energy: 0.39992013613808375
Energy: 0.38445201303279625
Energy: 0.396410105250858
Energy: 0.4012555393705632
Energy: 0.38411786651113616
Energy: 0.3978995561018312
Energy: 0.3836208419924302
Energy: 0.38376358852387543
Energy: 0.4072734669378052
Energy: 0.40732244790167077
Energy: 0.38392991896697465
Energy: 0.4065346247657567
Energy: 0.40663860042487904
Energy: 0.41593346295348926
Energy: 0.4046273575235323
Energy: 0.40510991584503586
Energy: 0.37837978782486426
Energy: 0.4022074859540055
Energy: 0.39780880337419894
Energy: 0.4295106483760478
Energy: 0.39908780373149155
Energy: 0.3988247076323804
Energy: 0.42977173765611576
Energy: 0.40040951984417633
Energy: 0.4023575015360747
Energy: 0.4277595043739687
Energy: 0.4054450715895414
Energy: 0.40591237772711997
Energy: 0.4284027222664486
Energy: 0.3894363352653783
Energy: 0.4156305527908428
Energy: 0.4241637686832422
Energy: 0.40576325739064784
Energy: 0.40630998048775446
Energy: 0.4165290591612187
Energy: 0.4261316458178532
Energy: 0.41793856081005554
Energy: 0.4044349028189893
Energy: 0.4296100922259085
Energy: 0.4296606381733584
Energy: 0.4047306212414759
Energy: 0.4292903225802365
Energy: 0.4293372487331973
Energy: 0.41325596920091884
Energy: 0.42839903309858685
Energy: 0.41846880342832743
Energy: 0.3844987909989473
Energy: 0.42919164415913547
Energy: 0.39769331079442743
Energy: 0.4297258523259628
Energy: 0.4297265573286319
Energy: 0.4280858314313311
Energy: 0.42823949440542547
Energy: 0.4278809253103451
Energy: 0.42918796322193314
Energy: 0.4307723767891292
Energy: 0.405991013870954
Energy: 0.4058608715613062
Energy: 0.43084787248742445
Energy: 0.3864244590254154
Energy: 0.4059418383436186
Energy: 0.4559128010280757
Energy: 0.40754106813187163
Energy: 0.4267125818506577
Energy: 0.4299247830121409
Energy: 0.4151972787080404
Energy: 0.42833382351759186
Energy: 0.4092912043462016
Energy: 0.4309840759644088
Energy: 0.42974095064222045
Energy: 0.4039392676410415
Energy: 0.4312364104871589
Energy: 0.42346011257479665

minimum gb energy = 0.37250646516535474 eV
minimum distance =  2.60551054378983 Angstroms
sigma value = 67


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

Energy: 0.5365111335253282
Energy: 0.5240016016703438
Energy: 0.5301451525627257
Energy: 0.5095212682167566
Energy: 0.5238512258081149
Energy: 0.5303624568485422
Energy: 0.5676436184185812
Energy: 0.5303066341342276
Energy: 0.5300320034102676
Energy: 0.5269593953717598
Energy: 0.5283429112954181
Energy: 0.5187614562892683
Energy: 0.5769693165091341
Energy: 0.5060293473322798
Energy: 0.5109027157446971
Energy: 0.5244526216763835
Energy: 0.5064589337653678
Energy: 0.5110945540377746
Energy: 0.5395932386587117
Energy: 0.5116780268084415
Energy: 0.5116702082351707
Energy: 0.5271694780362878
Energy: 0.50972326289596
Energy: 0.5120311561326585
Energy: 0.5395112644818381
Energy: 0.5278966693676191
Energy: 0.5292608048317421
Energy: 0.5239606441765788
Energy: 0.5275513059849338
Energy: 0.5191452686988337
Energy: 0.5082445145876477
Energy: 0.5181330956819498
Energy: 0.5123751366298637
Energy: 0.5135930674240818
Energy: 0.5174853558410112
Energy: 0.5121796417512942
Energy: 0.5537368594354521
Energy: 0.5283990768812281
Energy: 0.5298708238008137
Energy: 0.5223439929503876
Energy: 0.5284950259172607
Energy: 0.5217112088598245
Energy: 0.5431271386289614
Energy: 0.5096614850903483
Energy: 0.515024851412011
Energy: 0.5233913769849419
Energy: 0.5078667736520696
Energy: 0.5204846034478101
Energy: 0.5293554586541882
Energy: 0.5209325599014335
Energy: 0.5281251131689522
Energy: 0.5260072295959578
Energy: 0.5265513683256771
Energy: 0.5267023875319802
Energy: 0.5286554351498978
Energy: 0.5180004926791784
Energy: 0.5210809587569306
Energy: 0.5282506287660629
Energy: 0.5171246647068081
Energy: 0.5219911048460727
Energy: 0.5213957196749975
Energy: 0.5180164861801962
Energy: 0.5179628480849541
Energy: 0.5108897195214078
Energy: 0.5231161554894627
Energy: 0.5185153426177602
Energy: 0.5141324156652315
Energy: 0.517801129140029
Energy: 0.518350765155801
Energy: 0.5146810296296174
Energy: 0.5187696554525902
Energy: 0.5120081249661834
Energy: 0.5082149069000585
Energy: 0.5117018367591328
Energy: 0.5143565361515435
Energy: 0.5084377386052338
Energy: 0.5112121796782912
Energy: 0.5097680143114242
Energy: 0.5204552186611552
Energy: 0.5147103272132637
Energy: 0.5137821302862596
Energy: 0.5110292803853954
Energy: 0.5237515324155892
Energy: 0.5136270518451906
Energy: 0.5233181307814975
Energy: 0.5138418701649736
Energy: 0.5166097172452669
Energy: 0.5236845274122832
Energy: 0.5124036521472082
Energy: 0.5103390360440851
Energy: 0.523656844061165
Energy: 0.5191749912313954
Energy: 0.5177760582982767
Energy: 0.5175049122093041
Energy: 0.5273512090232394
Energy: 0.5173445232232153
Energy: 0.5252055299010401
Energy: 0.5121299288163915
Energy: 0.5124633295166853
Energy: 0.5155680410141877
Energy: 0.5062834998610288
Energy: 0.5179599569736889
Energy: 0.5236451541246786
Energy: 0.5275286323739017
Energy: 0.5276772612284534
Energy: 0.5174909293902267
Energy: 0.5275951407154718
Energy: 0.5231741677901467
Energy: 0.511130606278778
Energy: 0.5220931531937711
Energy: 0.5146101088035031
Energy: 0.5147509336940508
Energy: 0.523262901626487
Energy: 0.5145674830702212
Energy: 0.5255243691862529
Energy: 0.5258077652529725
Energy: 0.5276305428933726
Energy: 0.5261061991239679
Energy: 0.5252251475721353
Energy: 0.5284310487646392
Energy: 0.5250198629405693
Energy: 0.5197334197652043
Energy: 0.5190117755517905
Energy: 0.525234798428099
Energy: 0.5102472504163074
Energy: 0.5274978388041981
Energy: 0.5776906649398365
Energy: 0.5081167992725405
Energy: 0.5188972435530884
Energy: 0.5252745746682621
Energy: 0.5085782083309519
Energy: 0.5279454409172021
Energy: 0.5535049734851759
Energy: 0.530273152251621
Energy: 0.5316408991357189
Energy: 0.5173261249589548
Energy: 0.5285947882758442
Energy: 0.5248622466171038

minimum gb energy = 0.5060293473322798 eV
minimum distance =  2.6160815844013 Angstroms
sigma value = 33


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

Energy: 0.6357037551656144
Energy: 0.6305477885986718
Energy: 0.6220033414065773
Energy: 0.5974241827751473
Energy: 0.6303596762191985
Energy: 0.6196784184398219
Energy: 0.6523855666472768
Energy: 0.6235655349745765
Energy: 0.6167415404953948
Energy: 0.607584393736002
Energy: 0.6216720661490489
Energy: 0.6160936166248003
Energy: 0.6843376367503178
Energy: 0.6033981335790319
Energy: 0.6029731296416574
Energy: 0.6176728622555892
Energy: 0.603632659084057
Energy: 0.6027931383742491
Energy: 0.6442971977530564
Energy: 0.6029100199683757
Energy: 0.6024502149776506
Energy: 0.6177861841786368
Energy: 0.6030486128054563
Energy: 0.6026438491734074
Energy: 0.6129988809857949
Energy: 0.6215504055170081
Energy: 0.6176107156640755
Energy: 0.6035618961485455
Energy: 0.6201407979236846
Energy: 0.6160046054313695
Energy: 0.5980924421351941
Energy: 0.614260855221488
Energy: 0.6163335697625112
Energy: 0.6018147903628552
Energy: 0.6129190976792495
Energy: 0.6016252873626463
Energy: 0.6471575281025302
Energy: 0.6172675219068874
Energy: 0.6170970957327446
Energy: 0.6110105866930057
Energy: 0.6221881134158195
Energy: 0.6131557752739094
Energy: 0.6465804447003038
Energy: 0.6084793832579396
Energy: 0.608886604700937
Energy: 0.6128043924005386
Energy: 0.6111605766466924
Energy: 0.6136406756187329
Energy: 0.6135590182173757
Energy: 0.6130269587500519
Energy: 0.6160637828573172
Energy: 0.613269528821515
Energy: 0.6159173865796357
Energy: 0.614618465595951
Energy: 0.6143631169242558
Energy: 0.6102889847362624
Energy: 0.6102126112852758
Energy: 0.6149947952137954
Energy: 0.6125068574761452
Energy: 0.611681287076029
Energy: 0.6121978492839714
Energy: 0.608803897354088
Energy: 0.6072886487415677
Energy: 0.6124563970784508
Energy: 0.6148065940660188
Energy: 0.6078456371858334
Energy: 0.6224789591146992
Energy: 0.6111906792523318
Energy: 0.6068476867748154
Energy: 0.612868945655653
Energy: 0.6014410502410614
Energy: 0.6076964236129718
Energy: 0.6205956249796667
Energy: 0.6142493462105061
Energy: 0.6067896819131021
Energy: 0.6115548580944297
Energy: 0.6141640727418372
Energy: 0.6082989037573848
Energy: 0.6053297631456465
Energy: 0.6135482514427615
Energy: 0.6135223736501245
Energy: 0.6091723806206681
Energy: 0.6135891535227969
Energy: 0.5998448762443556
Energy: 0.6144622689723084
Energy: 0.6148215412347449
Energy: 0.6146645035981793
Energy: 0.6150281053359873
Energy: 0.6168645815086685
Energy: 0.6163315864039017
Energy: 0.6226544480680185
Energy: 0.6112822497788163
Energy: 0.6112040500314236
Energy: 0.6232229554545972
Energy: 0.6054291956812423
Energy: 0.6218654396215118
Energy: 0.684766025664349
Energy: 0.6009705919765465
Energy: 0.6006854228061196
Energy: 0.6150724730075117
Energy: 0.6047068835485618
Energy: 0.6110888718527703
Energy: 0.6899900436488128
Energy: 0.6266099921048932
Energy: 0.622769155817487
Energy: 0.616779653376215
Energy: 0.6242093461178441
Energy: 0.6320421413756331
Energy: 0.5848576519133151
Energy: 0.6160115831805903
Energy: 0.6027950948789048
Energy: 0.5930268423366636
Energy: 0.6164703502833286
Energy: 0.5984333886998642
Energy: 0.6310367280366488
Energy: 0.621873789941074
Energy: 0.6179177770465494
Energy: 0.6048795823957738
Energy: 0.6201388866264236
Energy: 0.6160612379293451
Energy: 0.6900478736447443
Energy: 0.6068425943987849
Energy: 0.6023888385069155
Energy: 0.6177934784279563
Energy: 0.6018708880175168
Energy: 0.6020803559906519
Energy: 0.6377550740043894
Energy: 0.6037947659553639
Energy: 0.6031977634011949
Energy: 0.6176413093699368
Energy: 0.6040202356074195
Energy: 0.6026906275054887
Energy: 0.6111667841298863
Energy: 0.6227074057574181
Energy: 0.6173427973050382
Energy: 0.6123470476524231
Energy: 0.6216184641233262
Energy: 0.6158065754443209
Energy: 0.5965837589315848
Energy: 0.6138187206034877
Energy: 0.6154718135999718
Energy: 0.6021261612827735
Energy: 0.6132171721964406
Energy: 0.6032745369643938
Energy: 0.6473184415821615
Energy: 0.6193255636456547
Energy: 0.6179459001579938
Energy: 0.6120114403345258
Energy: 0.6194200905612609
Energy: 0.6255214828876282
Energy: 0.6465262038654735
Energy: 0.6086464218340336
Energy: 0.6125382709647913
Energy: 0.612691498027945
Energy: 0.6107855479379931
Energy: 0.6140834023758862
Energy: 0.612618246440441
Energy: 0.6124988413924028
Energy: 0.615835985266677
Energy: 0.6159379716335767
Energy: 0.6113009421073244
Energy: 0.6145480051069255
Energy: 0.6145072259063064
Energy: 0.611170335766196
Energy: 0.6110726955573419
Energy: 0.6154917019072969
Energy: 0.6129508655611274
Energy: 0.6122383437382847
Energy: 0.6116503760402197
Energy: 0.6165979153776198
Energy: 0.6075016731637514
Energy: 0.6112491091377721
Energy: 0.6155585654407837
Energy: 0.6067851575814168
Energy: 0.6229432413734873
Energy: 0.6102857461415064
Energy: 0.6075802611222554
Energy: 0.6111758003460437
Energy: 0.60122543014568
Energy: 0.6074613434893846
Energy: 0.6212801281532271
Energy: 0.6144640805539276
Energy: 0.6089820901355086
Energy: 0.6110796658206803
Energy: 0.6145434840007041
Energy: 0.6097374599101333
Energy: 0.6060041001251862
Energy: 0.6131430412362654
Energy: 0.6134131293045367
Energy: 0.6083332596336575
Energy: 0.6142656140812824
Energy: 0.6055676972716099
Energy: 0.6148669672296846
Energy: 0.6138467919072123
Energy: 0.614068558167178
Energy: 0.6105529907890479
Energy: 0.6163199403758237
Energy: 0.6159188195938539
Energy: 0.6219243295141891
Energy: 0.6116389000466557
Energy: 0.620406731064329
Energy: 0.6224608605069716
Energy: 0.60520612740057
Energy: 0.6214871244801706
Energy: 0.684439534137726
Energy: 0.6009947949353414
Energy: 0.611166859770765
Energy: 0.6149791087286612
Energy: 0.6015085380984463
Energy: 0.6119157950234203
Energy: 0.68973119045348
Energy: 0.6239891108112724
Energy: 0.6319954033721982
Energy: 0.6182059499900234
Energy: 0.6251635388852868
Energy: 0.6229562786317588
Energy: 0.5844873268502626
Energy: 0.6159146905731808
Energy: 0.6036699923632769
Energy: 0.5972819228296115
Energy: 0.616100101821855
Energy: 0.5976847610206014

minimum gb energy = 0.5844873268502626 eV
minimum distance =  2.65691986963421 Angstroms
sigma value = 41


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

Energy: 0.7697668763646235
Energy: 0.764706494998581
Energy: 0.7547802001345814
Energy: 0.7539830210657683
Energy: 0.7635007518147165
Energy: 0.7529892569716065
Energy: 0.838410271189326
Energy: 0.7615390086304902
Energy: 0.7628658007595455
Energy: 0.768011031539917
Energy: 0.7602019855163235
Energy: 0.7530859874083307
Energy: 0.8366293828244064
Energy: 0.7426933057432602
Energy: 0.7414735653024703
Energy: 0.7633562985029577
Energy: 0.7440886281026559
Energy: 0.7430414255097658
Energy: 0.7643748313635672
Energy: 0.742759505456633
Energy: 0.7419435903236685
Energy: 0.7619195599282447
Energy: 0.7428852775481647
Energy: 0.7663580636898104
Energy: 0.7657266144678565
Energy: 0.759420272523723
Energy: 0.7632019692928375
Energy: 0.7672586860569245
Energy: 0.7594163516797919
Energy: 0.7523975992655152
Energy: 0.7453290194620605
Energy: 0.7648181550353982
Energy: 0.7514517393408621
Energy: 0.7417217784309205
Energy: 0.7605788058133598
Energy: 0.7516465731363733
Energy: 0.8088075960158146
Energy: 0.7661918510017651
Energy: 0.7615018144172151
Energy: 0.7528418930231771
Energy: 0.765956983224329
Energy: 0.7501541469641206
Energy: 0.8098167375652033
Energy: 0.7525684263311453
Energy: 0.7514259069733614
Energy: 0.7536632359104817
Energy: 0.7510526288783002
Energy: 0.7513737560584111
Energy: 0.7457934961477118
Energy: 0.7520100797890542
Energy: 0.7499068269703612
Energy: 0.7471442967261185
Energy: 0.7537991685275743
Energy: 0.7495601672507523
Energy: 0.7570696170963075
Energy: 0.7525180834072613
Energy: 0.750563116410029
Energy: 0.7545956570208672
Energy: 0.7558856657928154
Energy: 0.7501574241487501
Energy: 0.7564518012547918
Energy: 0.7628956073250318
Energy: 0.771398128589605
Energy: 0.7578203229619204
Energy: 0.7591080288770061
Energy: 0.7517891918177065
Energy: 0.8655820382678765
Energy: 0.7482260026750448
Energy: 0.7476531035477674
Energy: 0.760179475686797
Energy: 0.7474658780310379
Energy: 0.7467187842618129
Energy: 0.8679031624229988
Energy: 0.7692067003651046
Energy: 0.7669077584984086
Energy: 0.761751570948439
Energy: 0.767427757558312
Energy: 0.7516644397177675
Energy: 0.7390412123962997
Energy: 0.7602714176020141
Energy: 0.7469756706215274
Energy: 0.7376906418142548
Energy: 0.7588589552233164
Energy: 0.7459815788038268

minimum gb energy = 0.7376906418142548 eV
minimum distance =  2.64518182754552 Angstroms
sigma value = 11


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

Energy: 0.9116025534643724
Energy: 0.9062470966694761
Energy: 0.9224700112102687
Energy: 0.8455700629683419
Energy: 0.8962324662891558
Energy: 0.9293726739965524
Energy: 1.0282698843400402
Energy: 0.8686870576342915
Energy: 0.8619339806669737
Energy: 0.8691917156827939
Energy: 0.8724836084123364
Energy: 0.8675415151236999
Energy: 1.0367321101384956
Energy: 0.8587443945306217
Energy: 0.8582429150625652
Energy: 0.8719398663988791
Energy: 0.8594124351925299
Energy: 0.870757736686642
Energy: 0.8880082328321454
Energy: 0.8588141080174111
Energy: 0.8701967125563604
Energy: 0.8715113551792746
Energy: 0.8591941375887743
Energy: 0.8696667255158484
Energy: 0.8857085121965297
Energy: 0.8669630165097482
Energy: 0.8649372828465195
Energy: 0.8699203854438671
Energy: 0.8644736858919507
Energy: 0.8644905477824628
Energy: 0.8873242525135804
Energy: 0.8558615171529491
Energy: 0.8557852344850697
Energy: 0.8655064270977535
Energy: 0.8567515407111316
Energy: 0.8642260946720518
Energy: 0.8954262412028084
Energy: 0.8562332910020842
Energy: 0.8556707650796294
Energy: 0.8563678535804518
Energy: 0.8533368871729549
Energy: 0.855403946407031
Energy: 0.9230326573185668
Energy: 0.8642005899975015
Energy: 0.8653079519981361
Energy: 0.864683532681313
Energy: 0.8684783140772631
Energy: 0.8649844116008266
Energy: 0.8866905605830957
Energy: 0.8709734571213741
Energy: 0.8707211795040019
Energy: 0.8557549690381655
Energy: 0.8717908023863375
Energy: 0.8619761761295693
Energy: 0.8856459218159749
Energy: 0.8708819168976535
Energy: 0.8703772186129693
Energy: 0.855606318615193
Energy: 0.8715103419919566
Energy: 0.8619453198663234
Energy: 0.9274096341226752
Energy: 0.8702754776256751
Energy: 0.8668572467233263
Energy: 0.8681060906554328
Energy: 0.8723803855762763
Energy: 0.8650902168890672
Energy: 0.8957628288768524
Energy: 0.8650503523845621
Energy: 0.8648375702252811
Energy: 0.8803635010580532
Energy: 0.8519873486017152
Energy: 0.8558214574808901
Energy: 0.9026162359976458
Energy: 0.868816640331012
Energy: 0.8689184499270083
Energy: 0.8734055131149423
Energy: 0.8692745517218474
Energy: 0.8681720436634236
Energy: 0.8870051024135289
Energy: 0.8625408856786234
Energy: 0.862749546866407
Energy: 0.8596784112287656
Energy: 0.8715846021193959
Energy: 0.8625396743446498
Energy: 0.8936838456537786
Energy: 0.863549552293176
Energy: 0.8622332370319972
Energy: 0.8854529434021917
Energy: 0.8629356189261542
Energy: 0.862574702600988
Energy: 0.9509882452956343
Energy: 0.8633966383264359
Energy: 0.8629813817429076
Energy: 0.8624427206359975
Energy: 0.8619229900817759
Energy: 0.8633322540547516
Energy: 0.8931014852037157
Energy: 0.8628254200276572
Energy: 0.8633012350230068
Energy: 0.8828651637824337
Energy: 0.862937679033089
Energy: 0.8635443949728072
Energy: 0.8845816855305321
Energy: 0.8959714644158875
Energy: 0.8792621489086354
Energy: 0.8631484001477195
Energy: 0.8960047507497724
Energy: 0.8514068139679928
Energy: 0.8834605016039339
Energy: 0.8639176842968029
Energy: 0.863352221546604
Energy: 0.884049767031157
Energy: 0.8625914783593086
Energy: 0.8629820720040423
Energy: 0.8886469686001094
Energy: 0.8588594809736325
Energy: 0.8582853234698197
Energy: 0.8820315718443112
Energy: 0.8595740115305748
Energy: 0.8751037125047582
Energy: 0.9779851425142797
Energy: 0.858821477356238
Energy: 0.8696501355369495
Energy: 0.8720860969477333
Energy: 0.8587599535338921
Energy: 0.8717324689918756
Energy: 0.9225206905985944
Energy: 0.8729458282554133
Energy: 0.8722526853451648
Energy: 0.8780277638650935
Energy: 0.8730107381637664
Energy: 0.8743313858754777
Energy: 0.8930422247703506
Energy: 0.8838826550658727
Energy: 0.8675414358414343
Energy: 0.8558790814877703
Energy: 0.8843565616633738
Energy: 0.8618636646316616
Energy: 0.9919775348265668
Energy: 0.8633210223820733
Energy: 0.862795883492443
Energy: 0.8626899380809729
Energy: 0.8841921155729264
Energy: 0.8629190373906472
Energy: 0.9282451602526524
Energy: 0.8633238879910325
Energy: 0.8621107330360042
Energy: 0.8954502259904075
Energy: 0.8617538993851823
Energy: 0.8600343086471911
Energy: 0.886248812345485
Energy: 0.8629513579641382
Energy: 0.8640481444306077
Energy: 0.8629176616873284
Energy: 0.8627092902129742
Energy: 0.8630179731253979
Energy: 0.8871445727878527
Energy: 0.8663750670430107
Energy: 0.8638296350687581
Energy: 0.8623952789078829
Energy: 0.8622604420618953
Energy: 0.8627938549850807
Energy: 0.8853303997704282
Energy: 0.8622083522020595
Energy: 0.8634268975834303
Energy: 0.8628617493568107
Energy: 0.8632444158060157
Energy: 0.8621478659694017
Energy: 0.8919512491260452
Energy: 0.8587471950195119
Energy: 0.8581497418890763
Energy: 0.8804361047161899
Energy: 0.8592779360768747
Energy: 0.8577245029825128
Energy: 1.0367217435134441
Energy: 0.8697774831240292
Energy: 0.8626333525092367
Energy: 0.8690020702227105
Energy: 0.8662945428178301
Energy: 0.862380180883077
Energy: 0.894936787291318
Energy: 0.8876783342992868
Energy: 0.8646726132882238
Energy: 0.8543587209077215
Energy: 0.8752149245145783
Energy: 0.8605460336409504

minimum gb energy = 0.8455700629683419 eV
minimum distance =  2.61006348791463 Angstroms
sigma value = 57


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

Energy: 1.3253808982724389
Energy: 0.9248941107611928
Energy: 0.954732383058545
Energy: 0.9560395952820591
Energy: 0.9555158404369579
Energy: 0.954912182918379
Energy: 1.044491344156452
Energy: 0.9240405761615581
Energy: 0.9242780633041819
Energy: 0.9253321257278398
Energy: 0.9241023984634577
Energy: 0.9238439821863388
Energy: 1.0535982159336479
Energy: 0.9126710721462115
Energy: 0.9142273909462465
Energy: 0.9228357714796664
Energy: 0.9132484735945579
Energy: 0.9246224989609197
Energy: 0.9639218743533289
Energy: 0.9232633113859928
Energy: 0.9223090599648222
Energy: 0.9250092854736106
Energy: 0.9147567646452059
Energy: 0.9223877224522266
Energy: 0.946680856115798
Energy: 0.9249179656995897
Energy: 0.9228947346493976
Energy: 0.9248032109891318
Energy: 0.9276491953221585
Energy: 0.9221453517658222
Energy: 0.9587555480248798
Energy: 0.9231050056403544
Energy: 0.9224318634283842
Energy: 0.9235421692739489
Energy: 0.9243651757015131
Energy: 0.9220461399595684
Energy: 0.9622969398719937
Energy: 0.9142780968266226
Energy: 0.9141034384256846
Energy: 0.9253396642482201
Energy: 0.9146722988309757
Energy: 0.9220716954492517
Energy: 1.0579420507877533
Energy: 0.9249948449838962
Energy: 0.9240788131939283
Energy: 0.9255174115919564
Energy: 0.9233686062967876
Energy: 0.9237055354113444
Energy: 0.9533726830420259
Energy: 0.9246245119599336
Energy: 0.9152514425631083
Energy: 0.9167945103894429
Energy: 0.9241085402058956
Energy: 0.9153180158900427
Energy: 0.9535222872465106
Energy: 0.9244096345347318
Energy: 0.9151422215370972
Energy: 0.9169469316729228
Energy: 0.9258921162997802
Energy: 0.915224637058347
Energy: 1.0501696665790805
Energy: 0.9241922975830507
Energy: 0.923387987537324
Energy: 0.9247400036605863
Energy: 0.924179390677754
Energy: 0.9221873652299222
Energy: 0.9601882050195808
Energy: 0.912574642140472
Energy: 0.9120899745576985
Energy: 0.9226788453431742
Energy: 0.9133288136558538
Energy: 0.9258393060928375
Energy: 0.9472951216860547
Energy: 0.9255741790627755
Energy: 0.923364331533355
Energy: 0.9252272990750943
Energy: 0.9236402629351201
Energy: 0.92272506035003
Energy: 0.9621260400377679
Energy: 0.9233666175383117
Energy: 0.9226479125602198
Energy: 0.9236472404117357
Energy: 0.9241202302310928
Energy: 0.9222715639690021
Energy: 0.9458031929476275
Energy: 0.9147814889365871
Energy: 0.9217983796469051
Energy: 0.9239903488542405
Energy: 0.9172074033687738
Energy: 0.9216874394249033
Energy: 1.0709240076221613
Energy: 0.9148288002221312
Energy: 0.9144689167441494
Energy: 0.9239646937296497
Energy: 0.9170967871085695
Energy: 0.9237534997279124
Energy: 0.9530747236950243
Energy: 0.9233573748211547
Energy: 0.9241960788694322
Energy: 0.9179582376995509
Energy: 0.9242872380782774
Energy: 0.9241597659551758

minimum gb energy = 0.9120899745576985 eV
minimum distance =  2.60973895451519 Angstroms
sigma value = 9


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

Energy: 1.038033744917428
Energy: 0.978050025431563
Energy: 0.9828220873124156
Energy: 1.0526214535673857
Energy: 0.9795096253786895
Energy: 0.9827556699358634
Energy: 1.0282148474165416
Energy: 0.942402506058001
Energy: 0.9427765735571046
Energy: 0.9398714870178416
Energy: 0.9436475329238296
Energy: 0.9476567254963386
Energy: 1.0262148400773519
Energy: 0.9738361966820159
Energy: 0.948994195645079
Energy: 0.9591924135038519
Energy: 0.9672820909929275
Energy: 0.9483495147142091
Energy: 0.9452219466493519
Energy: 0.9477925173067245
Energy: 0.9461587665016958
Energy: 0.9411300804637106
Energy: 0.956428501656543
Energy: 0.9461566099885784
Energy: 0.944699820472614
Energy: 0.9279510739552662
Energy: 0.9282924594932617
Energy: 0.9404504515502674
Energy: 0.9286414659699079
Energy: 0.9312892981326596
Energy: 0.9436880142550248
Energy: 0.9256212264694903
Energy: 0.9251592345611755
Energy: 0.9309056974155403
Energy: 0.9281121718521683
Energy: 0.9249629140681307
Energy: 0.959736177383323
Energy: 0.9819466933480016
Energy: 0.9587320449960948
Energy: 0.92360852230548
Energy: 0.9831584146570831
Energy: 0.9578474600938669
Energy: 1.0406001308292687
Energy: 0.9275484108102712
Energy: 0.9260202810133423
Energy: 0.9282911207382669
Energy: 0.9264172269125762
Energy: 0.9261636872675869
Energy: 1.0151805445523172
Energy: 0.925948094080934
Energy: 0.9254955011227891
Energy: 0.9587097393238373
Energy: 0.9262192960753556
Energy: 0.9467864466518197
Energy: 1.0136479302656207
Energy: 0.9257382963872346
Energy: 0.9253827566617573
Energy: 0.9594972312825205
Energy: 0.9273703059785318
Energy: 0.9254051855609482
Energy: 1.047263716765046
Energy: 0.9371042723835746
Energy: 0.9344146087535662
Energy: 0.9269894768788017
Energy: 0.926831718819862
Energy: 0.9337418019853494
Energy: 1.0093240296251123
Energy: 0.9478191074779003
Energy: 0.9471912493990683
Energy: 0.9444402561928483
Energy: 0.9401714115823725
Energy: 0.9472052144847012
Energy: 1.0043785205553217
Energy: 0.948396833077915
Energy: 0.9484438196961709
Energy: 0.986273608826085
Energy: 0.9398846342391863
Energy: 0.9703881553146693
Energy: 1.026839485963209
Energy: 0.950107602404374
Energy: 0.9482440960017019
Energy: 0.9871287234694197
Energy: 0.9492430975159644
Energy: 0.9459067235416706
Energy: 1.007915410368223
Energy: 0.9245512793189338
Energy: 0.9239125872452416
Energy: 0.9472485060346064
Energy: 0.9253448787096854
Energy: 0.9411303914990387
Energy: 0.9929009986999897
Energy: 0.9558335540811651
Energy: 0.9235157641628304
Energy: 0.9387066459822103
Energy: 0.9572402272521193
Energy: 0.9236436736657719
Energy: 0.9817263740420815
Energy: 0.9466771764444379
Energy: 0.9459181927744424
Energy: 0.9586438959081022
Energy: 0.9399996566418387
Energy: 0.9467230217412269
Energy: 0.9798239034739895
Energy: 0.9353527123224997
Energy: 0.9682321192466585
Energy: 0.9693654862778837
Energy: 0.9419335514456166
Energy: 0.9705243736229462
Energy: 1.0027188188100271
Energy: 0.9757686857684414
Energy: 0.9740908352215574
Energy: 0.9707240022822314
Energy: 0.9515436060417115
Energy: 0.9702714480724286
Energy: 0.9981010162017555
Energy: 0.9751635424164884
Energy: 0.972678349001046
Energy: 0.9726421754911939
Energy: 0.9715652388934345
Energy: 0.9752838671627168
Energy: 1.010322122790185
Energy: 0.9418754414785471
Energy: 0.9431741064029127
Energy: 0.9246768548407673
Energy: 0.9433779852499953
Energy: 0.9437969091360146

minimum gb energy = 0.9235157641628304 eV
minimum distance =  2.57828409399568 Angstroms
sigma value = 27


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

Energy: 1.6179497834278997
Energy: 0.9291777819485157
Energy: 0.9068197546715752
Energy: 0.9388105369141703
Energy: 0.9288544779351984
Energy: 0.9352380918303428
Energy: 1.0372593128696814
Energy: 0.9106149135424145
Energy: 0.9098144885633993
Energy: 0.928663321962224
Energy: 0.9117825179358197
Energy: 0.9097931699364218
Energy: 0.977419472197465
Energy: 0.9091666437415159
Energy: 0.9089456851824841
Energy: 0.9492913569686517
Energy: 0.9334191886918777
Energy: 0.9088354707810283
Energy: 0.9815395954213277
Energy: 0.9089336939782383
Energy: 0.9086127210266561
Energy: 0.9289188699031357
Energy: 0.9296640157106137
Energy: 0.9085963284099996
Energy: 0.9497219048083775
Energy: 0.9113712439158457
Energy: 0.9101679607720863
Energy: 0.9351452049479339
Energy: 0.9133518175447032
Energy: 0.9104143490665872
Energy: 0.9681355568097207
Energy: 0.9364890051280632
Energy: 0.9350057195057437
Energy: 0.9407759584567282
Energy: 0.9383092094343342
Energy: 0.9346032820784286
Energy: 0.9548788409590397
Energy: 0.9322483001690888
Energy: 0.9317384727811067
Energy: 0.932913566738784
Energy: 0.9329942772718889
Energy: 0.9315880450215153
Energy: 1.0021673433316083
Energy: 0.9356726699840633
Energy: 0.9339388665731362
Energy: 0.934348631296838
Energy: 0.9384827497836609
Energy: 0.9337525059252245
Energy: 1.0011841472085168
Energy: 0.9407226554723949
Energy: 0.9385524846705257
Energy: 0.9311884620962163
Energy: 0.9357802496905518
Energy: 0.9378332986338855
Energy: 1.0011121039743185
Energy: 0.9182516897945746
Energy: 0.9178414877467868
Energy: 0.937680626997406
Energy: 0.9190606734187281
Energy: 0.9386304417017576
Energy: 1.0015931500493427
Energy: 0.9387631645987934
Energy: 0.9368125287856838
Energy: 0.9372149601848578
Energy: 0.9307178767431283
Energy: 0.9337905608953693
Energy: 1.0133787354637591
Energy: 0.9311926649841468
Energy: 0.931064890453184
Energy: 0.9310543536067758
Energy: 0.930724934780959
Energy: 0.9314425417992644
Energy: 1.0090003794415097
Energy: 0.9302531901952007
Energy: 0.930157666224804
Energy: 0.9312821918955072
Energy: 0.9305708715504092
Energy: 0.9299833736490521
Energy: 1.0112047746600923
Energy: 0.9326196939938778
Energy: 0.9319545930839407
Energy: 0.930278066466903
Energy: 0.9342824749149882
Energy: 0.9321215110808263
Energy: 1.0103435038911384
Energy: 0.9228646752669687
Energy: 0.9227875224934526
Energy: 0.9324967516943259
Energy: 0.9236686783253151
Energy: 0.9233189718792443
Energy: 0.9838453691035558
Energy: 0.941635974838779
Energy: 0.9419687534458853
Energy: 0.9316944033758399
Energy: 0.9367820637791323
Energy: 0.9423515104805429
Energy: 0.9491370926631555
Energy: 0.921801625889618
Energy: 0.9221633601028423
Energy: 0.9431726949844644
Energy: 0.9220624890310899
Energy: 0.9103451387004846
Energy: 0.9682838993015039
Energy: 0.934112364076362
Energy: 0.9337176894289021
Energy: 0.9376287601418438
Energy: 0.9346857666448206
Energy: 0.9337525168232632
Energy: 0.9666735775762496
Energy: 0.9346535295261786
Energy: 0.9338039652324573
Energy: 0.9345048871854841
Energy: 0.9354882228096717
Energy: 0.9345037429416657
Energy: 0.9759352302054976
Energy: 0.934655975662886
Energy: 0.9341346965107804
Energy: 0.9343465855102966
Energy: 0.9341248861808888
Energy: 0.9340834371215817
Energy: 0.9753327716270933
Energy: 0.9337093190751681
Energy: 0.9333868105065202
Energy: 0.9378280332365687
Energy: 0.9343693411235839
Energy: 0.9334423320401677
Energy: 0.9465153831091412
Energy: 0.9261664040580919
Energy: 0.9250249234066568
Energy: 0.9392292812655564
Energy: 0.9280694372259533
Energy: 0.9247454484274661
Energy: 0.9727722270945534
Energy: 0.9404567805343788
Energy: 0.9402218572004243
Energy: 0.9371936136486788
Energy: 0.9396135323833343
Energy: 0.9400997620266327
Energy: 0.9754452585787441
Energy: 0.9490316092951941
Energy: 0.9345228522597239
Energy: 0.9435322798781803
Energy: 0.9535873045745349
Energy: 0.9761779455916947
Energy: 1.0317268269751179
Energy: 0.9274182219702429
Energy: 0.9095360404242515
Energy: 0.931636775998105
Energy: 0.9269229567869638
Energy: 0.9329082911474388

minimum gb energy = 0.9068197546715752 eV
minimum distance =  2.57267360633606 Angstroms
sigma value = 19


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

Energy: 0.9861363258258565
Energy: 0.8980245487721733
Energy: 0.9635178243877234
Energy: 0.9051847712267588
Energy: 0.8945829055486041
Energy: 0.9531247483629517
Energy: 1.0109929483618323
Energy: 0.9149552893283441
Energy: 0.9142459736217673
Energy: 0.9175024916026587
Energy: 0.8854796483440385
Energy: 0.9145073188330962
Energy: 0.9772112632800004
Energy: 0.9093977634543572
Energy: 0.9081520518760312
Energy: 0.8932650787216817
Energy: 0.9156187629362718
Energy: 0.9062065426691019
Energy: 0.950939023921983
Energy: 0.9134924452799296
Energy: 0.9115060625256752
Energy: 0.9126068088034518
Energy: 0.9168120197581611
Energy: 0.911175958270641
Energy: 0.9492334895551036
Energy: 0.8921073736720873
Energy: 0.9009974905997881
Energy: 0.9174667092532085
Energy: 0.8953853557734758
Energy: 0.9022025509441532
Energy: 0.9521008187253587
Energy: 0.9140914550096378
Energy: 0.9127390065413684
Energy: 0.8938128653648468
Energy: 0.9162049210728965
Energy: 0.9126455300110377
Energy: 0.9533305047708073
Energy: 0.9049872246136617
Energy: 0.9008078706882319
Energy: 0.8918489405750055
Energy: 0.9051258228636611
Energy: 0.8993259719851857
Energy: 0.9584818454116848
Energy: 0.9068612026988169
Energy: 0.914693455184883
Energy: 0.9067798644520759
Energy: 0.9049432893876408
Energy: 0.9147678063089155
Energy: 0.9394817257142879
Energy: 0.9042900971929628
Energy: 0.9037169663035388
Energy: 0.8621026106739295
Energy: 0.9085808193899785
Energy: 0.9032733239474298
Energy: 0.9375079360840497
Energy: 0.907333057433425
Energy: 0.9055241924485624
Energy: 0.9149649509271228
Energy: 0.9063919458501425
Energy: 0.9050941809915575
Energy: 0.950396017289927
Energy: 0.8933472339415268
Energy: 0.8972082991636005
Energy: 0.9057715003300435
Energy: 0.905523614405675
Energy: 0.8957416892844166
Energy: 0.9597304361072875
Energy: 0.9078085303013339
Energy: 0.906037986959439
Energy: 0.9064417940171785
Energy: 0.90690538099536
Energy: 0.9058974976042171
Energy: 0.9628757237506702
Energy: 0.8787676993762137
Energy: 0.9032185737176098
Energy: 0.9083117436013007
Energy: 0.8791113379982683
Energy: 0.8971659382921174
Energy: 0.9998183799248506
Energy: 0.9071708952711001
Energy: 0.9071439389705087
Energy: 0.8971597985144045
Energy: 0.8581177377297114
Energy: 0.9071998110858988
Energy: 0.9604336064259286
Energy: 0.8870789626634515
Energy: 0.8861513546592277
Energy: 0.906096532714758
Energy: 0.8927598624236361
Energy: 0.886010444006138
Energy: 0.9586956950064623
Energy: 0.9011424058991544
Energy: 0.8991819409359975
Energy: 0.8999486647099076
Energy: 0.8983107251487827
Energy: 0.8988714513250867
Energy: 0.9498737720155391
Energy: 0.8972250079762196
Energy: 0.9017152094435991
Energy: 0.9123760258740139
Energy: 0.8963179162759934
Energy: 0.9117216656174922
Energy: 0.9782852878079752
Energy: 0.8991308820051054
Energy: 0.9002544886532601
Energy: 0.860667773450834
Energy: 0.8831412118981441
Energy: 0.9003741463390218
Energy: 0.9581697083762222
Energy: 0.9045113262079439
Energy: 0.9043994850348885
Energy: 0.8993793179103742
Energy: 0.9095830053544242
Energy: 0.8825196512524889
Energy: 0.9286708675237845
Energy: 0.9045309747870698
Energy: 0.9044478506319561
Energy: 0.8835509976442695
Energy: 0.9096971333323833
Energy: 0.8825479759452194
Energy: 0.9298249807622384
Energy: 0.898834303084938
Energy: 0.8991368285081955
Energy: 0.8986919031084964
Energy: 0.9005322208209563
Energy: 0.9001445723994211
Energy: 0.9289369290055162
Energy: 0.9078908631965482
Energy: 0.9067410952671668
Energy: 0.9111970134457148
Energy: 0.906944942776766
Energy: 0.9068303586177158
Energy: 0.9332232115572557
Energy: 0.8977676217182915
Energy: 0.8959818821050607
Energy: 0.8582868966256544
Energy: 0.8965495957060752
Energy: 0.8602934104320277
Energy: 0.9648357341505821
Energy: 0.896188717008924
Energy: 0.8990802411450307
Energy: 0.8580247624052079
Energy: 0.8963404415942627
Energy: 0.8978893583590015
Energy: 0.9665497414299393
Energy: 0.9065442866240049
Energy: 0.9086542459505406
Energy: 0.9101840577648003
Energy: 0.9061320975670514
Energy: 0.9083505893185715
Energy: 0.9511783724749847
Energy: 0.8972708936609397
Energy: 0.9037459000056586
Energy: 0.9149236754704427
Energy: 0.9039697162176377
Energy: 0.9030125746460417
Energy: 0.9650122151432119
Energy: 0.9080585700961168
Energy: 0.9074576099705672
Energy: 0.9060038059671639
Energy: 0.9091186500968764
Energy: 0.9074111884295971
Energy: 0.9771622718700838
Energy: 0.9180488757694717
Energy: 0.9167455397404868
Energy: 0.9131813523048837
Energy: 0.9155691089021684
Energy: 0.9162832986552049
Energy: 0.9766327712922698
Energy: 0.8773569060637177
Energy: 0.905319938257428
Energy: 0.8956213612545634
Energy: 0.8777204776271252
Energy: 0.8964888351640972

minimum gb energy = 0.8580247624052079 eV
minimum distance =  2.5794870296115 Angstroms
sigma value = 101


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

Energy: 0.9697410568241954
Energy: 0.8509588626888608
Energy: 0.8617672155388535
Energy: 0.8609436182164678
Energy: 0.8653318473937639
Energy: 0.8662418918686456
Energy: 0.9500588694132541
Energy: 0.8630657297682202
Energy: 0.8621325973319541
Energy: 0.8661072696509944
Energy: 0.8580169248563051
Energy: 0.8619217516674648
Energy: 0.9501387910732346
Energy: 0.8618760321573603
Energy: 0.8599295697980575
Energy: 0.8652073902113979
Energy: 0.8624143717592557
Energy: 0.8581896225297931
Energy: 0.9183814921608222
Energy: 0.8608399492733466
Energy: 0.859042776705782
Energy: 0.8640930137242274
Energy: 0.8643102117451823
Energy: 0.8586887412305997
Energy: 0.9060168187461908
Energy: 0.8622917385447221
Energy: 0.8623881485042724
Energy: 0.8602432672772513
Energy: 0.8743280353373523
Energy: 0.8644929150149105
Energy: 0.9182321490444572
Energy: 0.8615262935209062
Energy: 0.8600451067653789
Energy: 0.8593704731072263
Energy: 0.8642004056418846
Energy: 0.8598342197202886
Energy: 0.930051946315288
Energy: 0.858833764844819
Energy: 0.8559659058237725
Energy: 0.8707389173031841
Energy: 0.8595162855089912
Energy: 0.8553138582792285
Energy: 0.9109700475565543
Energy: 0.8633649193615653
Energy: 0.863274844602981
Energy: 0.8603545869082218
Energy: 0.8624767879879807
Energy: 0.8630766528509611
Energy: 0.9005231307155218
Energy: 0.8616204610306741
Energy: 0.8578127323508619
Energy: 0.8611590183224526
Energy: 0.8575250251030357
Energy: 0.8573233008307652
Energy: 0.9016147792777346
Energy: 0.8613584114851861
Energy: 0.859666465761745
Energy: 0.8594807878557041
Energy: 0.864050185223041
Energy: 0.8593520056305954
Energy: 0.9226166731153833
Energy: 0.8494448410313795
Energy: 0.8488417338348919
Energy: 0.8587690005257607
Energy: 0.8609489292098899
Energy: 0.8516992942012084
Energy: 0.9371024793037978
Energy: 0.8621159235585457
Energy: 0.8606331632794652
Energy: 0.8651884580259832
Energy: 0.8643039418337936
Energy: 0.860753993085935
Energy: 0.9188463566804985
Energy: 0.8621388495524837
Energy: 0.8622372311512795
Energy: 0.8614873809556479
Energy: 0.8631051531645497
Energy: 0.8632482654421842
Energy: 0.9144858636794869
Energy: 0.857335751014559
Energy: 0.8621456748434628
Energy: 0.8639159658041712
Energy: 0.8649775676488018
Energy: 0.8626686613979346
Energy: 0.9364052132513654
Energy: 0.8653014922141227
Energy: 0.8848772452431722
Energy: 0.8653834579054204
Energy: 0.8662374734498356
Energy: 0.8620749468468095
Energy: 0.9505001642968489
Energy: 0.8611983604858076
Energy: 0.8593624324060807
Energy: 0.8646573766424959
Energy: 0.8585811475987185
Energy: 0.859003873220575
Energy: 0.9176919653319026
Energy: 0.8652194782212906
Energy: 0.8593128198170928
Energy: 0.8604111814110152
Energy: 0.8655321341014595
Energy: 0.8565335155792904
Energy: 0.9822280212387238
Energy: 0.8566197806480338
Energy: 0.8629847694275312
Energy: 0.8611860663087934
Energy: 0.8578218372711431
Energy: 0.8599887233661861
Energy: 0.950872427662341
Energy: 0.8635591240823967
Energy: 0.8625668791038729
Energy: 0.8587763423462474
Energy: 0.86338990103176
Energy: 0.8628484731107373
Energy: 0.9205339101771016
Energy: 0.8632910819609344
Energy: 0.8618068320051624
Energy: 0.8622326598430929
Energy: 0.865733265737274
Energy: 0.8616822841729536
Energy: 0.9061255749066847
Energy: 0.8571380828398498
Energy: 0.8571619584920063
Energy: 0.8622402874137854
Energy: 0.8576107010378433
Energy: 0.85865737618936
Energy: 0.9166690319472929
Energy: 0.8616503751635293
Energy: 0.8600045109677115
Energy: 0.8592407569853265
Energy: 0.8646232865362495
Energy: 0.8597600444665642
Energy: 0.9172805123989215
Energy: 0.8563058993936384
Energy: 0.8557718472965056
Energy: 0.852658450478638
Energy: 0.856586400860702
Energy: 0.8554561327649673
Energy: 0.9232455101260012
Energy: 0.8591270395058758
Energy: 0.8592349013497941
Energy: 0.8523187905812815
Energy: 0.8589180727642098
Energy: 0.8630336105586518
Energy: 0.9001387831468726
Energy: 0.8630988646821982
Energy: 0.861412812919815
Energy: 0.8656519768774964
Energy: 0.8660438954004546
Energy: 0.8613927676958958
Energy: 0.9005152976989036
Energy: 0.8631932252147725
Energy: 0.8613723004597232
Energy: 0.8650403728168012
Energy: 0.8665408442366337
Energy: 0.8612508790456086
Energy: 0.9220542010686462
Energy: 0.8600531706212565
Energy: 0.8591251058068251
Energy: 0.859469440322439
Energy: 0.8610739872599595
Energy: 0.8603447131512074
Energy: 0.9363585635657581
Energy: 0.8615767926298433
Energy: 0.8603323424512946
Energy: 0.8650900847285146
Energy: 0.8629389087831121
Energy: 0.8632252935644663
Energy: 0.916311438379354
Energy: 0.8577887756848871
Energy: 0.8564588064957365
Energy: 0.8602376022050576
Energy: 0.855337934888859
Energy: 0.8617014437798168
Energy: 0.9175604307413651
Energy: 0.8570331533953008
Energy: 0.8586422797297066
Energy: 0.8600274677429284
Energy: 0.861833700524824
Energy: 0.8592014830462825
Energy: 0.9357152481292594
Energy: 0.8628823336097798
Energy: 0.861542920379625
Energy: 0.8612560973663044
Energy: 0.8642812576845759
Energy: 0.8616577481231726
Energy: 0.9502868216106968
Energy: 0.8627322092556724
Energy: 0.8608445480220558
Energy: 0.8666480456406507
Energy: 0.8641925555342701
Energy: 0.8604618376852884
Energy: 0.9176388465978104
Energy: 0.8596902026979428
Energy: 0.8516340157910491
Energy: 0.8586574295722148
Energy: 0.8596851860555865
Energy: 0.8658735034384684

minimum gb energy = 0.8488417338348919 eV
minimum distance =  2.59401334572778 Angstroms
sigma value = 33


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

Energy: 0.010092200749687148
Energy: 1.2509000555461391
Energy: 0.01065743477810035
Energy: 0.011461580585180303
Energy: 1.2540070681602797
Energy: 0.010510219203405637
Energy: 0.3616368482436902
Energy: 0.09537680408252854
Energy: 0.09421111037670632
Energy: 0.09495108075002652
Energy: 0.09743766602468427
Energy: 0.09424497039225932
Energy: 1.5436180528426597
Energy: 1.2488019913818482
Energy: 1.2487202821903363
Energy: 1.2561266388928027
Energy: 1.2523692618539415
Energy: 1.2481712386390609
Energy: 0.010786352301664668
Energy: 0.09537680408252854
Energy: 0.09421111037635119
Energy: 0.09495108075038168
Energy: 0.09743766602468427
Energy: 0.09424497039364044

minimum gb energy = 0.010092200749687148 eV
minimum distance =  2.81446444933939 Angstroms
sigma value = 1