Model name: model_name=EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.587871603667736
cohesive_energy=3.5216851723143447
mass=63.546
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=[1.53308276665875e-19, 2.2019514569379e-19, 2.7196627926823197e-19, 3.14241311932956e-19, 3.4983046150399795e-19, 3.8035993726486796e-19, 4.0684231484825395e-19, 4.3000658462262595e-19, 4.50373453994034e-19, 4.6826015393601e-19, 4.839839154220859e-19, 4.97794678007166e-19, 5.0989591812376795e-19, 5.20449455611926e-19, 5.295994863686999e-19, 5.37470980171542e-19, 5.44180895914734e-19, 5.498221598430479e-19, 5.54442837255504e-19, 5.580893912744879e-19, 5.60830715495262e-19, 5.627276926299179e-19, 5.63833194507378e-19, 5.641920820733939e-19, 5.63807559681234e-19, 5.62565872789884e-19, 5.60322825502284e-19, 5.56903780565328e-19, 5.52106863723132e-19, 5.45682135420792e-19, 5.373219777445799e-19, 5.26664298775212e-19, 5.1328131735141e-19, 4.96647519537222e-19, 4.761300455622179e-19, 4.5097266805515e-19, 4.20257339804736e-19, 3.8265265202812197e-19, 3.3651316932219e-19, 2.7988423619346e-19, 2.10239220090114e-19, 1.2423902468923259e-19, 1.7422869806433e-20, -1.16100928694493e-19, -2.8432867417617596e-19, -4.98834490642632e-19, -7.754983518017519e-19, -1.1378994911761139e-18, -1.6210983400475399e-18, -2.2795288495561798e-18, -3.2005240658447397e-18, -4.5316765004372996e-18, -6.5291421535777796e-18, -9.644158052465939e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.69299980837746e-26 eV

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

Energy: 0.013787782027347074
Energy: 0.014373483246877011
Energy: 0.014262767318897012
Energy: 0.014046320421314732
Energy: 0.42481493489121874
Energy: 0.014081122126319866
Energy: 0.014373483246877011
Energy: 0.10364268688888834
Energy: 0.10361247868313084
Energy: 0.10368936814407943
Energy: 0.103576727013737
Energy: 0.10382479642542619
Energy: 0.014262767318897012
Energy: 0.10361247868313084
Energy: 0.10472784182911386
Energy: 0.014291308702746844
Energy: 0.10348768296195429
Energy: 0.10439079591284617
Energy: 0.014046320421633101
Energy: 0.10368936814407943
Energy: 0.014291308702746844
Energy: 0.014069395184246505
Energy: 0.10358099693389541
Energy: 0.014093311921575293
Energy: 0.42481493489121874
Energy: 0.103576727013737
Energy: 0.10348768296195429
Energy: 0.10358099693389541
Energy: 0.10347330537112223
Energy: 0.10358201144780037
Energy: 0.014081122126319866
Energy: 0.10382479642570917
Energy: 0.10439079591284617
Energy: 0.014093311921575293
Energy: 0.10358201144780037
Energy: 0.014337141600781155

minimum gb energy = 0.013787782027347074 eV
minimum distance =  2.53195881665272 Angstroms
sigma value = 1


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

Energy: 1.204552964624978
Energy: 0.789664186845678
Energy: 0.8148597561402398
Energy: 0.7170131593458091
Energy: 1.1498492455143172
Energy: 0.8142945166526738
Energy: 1.1385509725546512
Energy: 0.7451419202558409
Energy: 0.7466890910711117
Energy: 0.7225495605962889
Energy: 0.7512055453867549
Energy: 0.7412799397517786
Energy: 1.1209315022783755
Energy: 0.7454802548661662
Energy: 0.7504741855724882
Energy: 0.7473173929609241
Energy: 0.7658202355494657
Energy: 0.74510781855496
Energy: 1.2074127306458955
Energy: 0.7549137009670486
Energy: 0.756918661658635
Energy: 0.7572824207494064
Energy: 0.7458743356844009
Energy: 0.7580427411691052
Energy: 1.1022847787837065
Energy: 0.7453727928835875
Energy: 0.7554248464740335
Energy: 0.7379316161677804
Energy: 0.7498683842887276
Energy: 0.7534878264185817
Energy: 1.0959703245578907
Energy: 0.7395396042277441
Energy: 0.7674571420696352
Energy: 0.7454098432495211
Energy: 0.7468709076265606
Energy: 0.7445025018733241
Energy: 1.0972782022385499
Energy: 0.7032381235494107
Energy: 0.7577743160061039
Energy: 0.7438146956368131
Energy: 0.7016399557146618
Energy: 0.7576804033298223
Energy: 1.0586227125982923
Energy: 0.7490715225174396
Energy: 0.7387325460711245
Energy: 0.6967955308325913
Energy: 0.7478473708820701
Energy: 0.7450143941117452
Energy: 0.8919612987882095
Energy: 0.7435230798438449
Energy: 0.7441610468220834
Energy: 0.7453656077633113
Energy: 0.7538060032522768
Energy: 0.7687051200913968
Energy: 0.8871106372725814
Energy: 0.7391718245462379
Energy: 0.7546894223878966
Energy: 0.6991691910173493
Energy: 0.7391526535309169
Energy: 0.7558210622971065
Energy: 0.8768204081321921
Energy: 0.7399057022590133
Energy: 0.740869187363493
Energy: 0.7859002213557708
Energy: 0.739217869954335
Energy: 0.7650095859939753
Energy: 0.7939966259668038
Energy: 0.702610471515232
Energy: 0.7468937146908009
Energy: 0.7447198653162033
Energy: 0.7416803895598084
Energy: 0.7450788080362072
Energy: 0.7923837887660852
Energy: 0.7360192656688246
Energy: 0.741295766686669
Energy: 0.7468485285508025
Energy: 0.7547762970544055
Energy: 0.7530139476475678
Energy: 0.8770141532635115
Energy: 0.7462436111303439
Energy: 0.7577363358077532
Energy: 0.7631363654469266
Energy: 0.7429523936676092
Energy: 0.7553916741871762
Energy: 0.8245840408013136
Energy: 0.7384568907808873
Energy: 0.7531538716640027
Energy: 0.7454172171327627
Energy: 0.7383220306604705
Energy: 0.7453481757859208
Energy: 0.8246350176578213
Energy: 0.7438217188627461
Energy: 0.7406248472453161
Energy: 0.7742558698619523
Energy: 0.6978479922429756
Energy: 0.7629870645492626
Energy: 1.0167125076723926
Energy: 0.7421988412990045
Energy: 0.7540990131604804
Energy: 0.7507400036625653
Energy: 0.7397263059665721
Energy: 0.7408257325711154
Energy: 0.9896072844954922
Energy: 0.7459198433288337
Energy: 0.697797686298813
Energy: 0.7503636050808984
Energy: 0.6976218307297843
Energy: 0.770209224241345
Energy: 0.990980071894964
Energy: 0.7599227398776279
Energy: 0.770691306095905
Energy: 0.7444724884335064
Energy: 0.7496148766583136
Energy: 0.7699731408837996
Energy: 1.0556114757406025
Energy: 0.7499795343607658
Energy: 0.7710787612308042
Energy: 0.744687125995181
Energy: 0.7454861081919094
Energy: 0.7702069722366436
Energy: 1.1424407941100565
Energy: 0.7589865788966548
Energy: 0.7448961040644384
Energy: 0.7372496324534853
Energy: 0.7493168951833006
Energy: 0.7415584715004224
Energy: 1.150543638221419
Energy: 0.7673444067212362
Energy: 0.7526500243414508
Energy: 0.7400488879228548
Energy: 0.7528806882554714
Energy: 0.740764323141684
Energy: 1.1387473388556302
Energy: 0.7434194637844473
Energy: 0.7461182304268179
Energy: 0.7384211101059754
Energy: 0.7468660013175682
Energy: 0.7402724133343965

minimum gb energy = 0.6967955308325913 eV
minimum distance =  2.37251268864598 Angstroms
sigma value = 33


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

Energy: 1.3148002546832518
Energy: 0.809959777154775
Energy: 0.8091773259513427
Energy: 0.8079924051217588
Energy: 0.7934065206116188
Energy: 0.8094521627797294
Energy: 0.9493310165318483
Energy: 0.7997486968931853
Energy: 0.754868607484248
Energy: 0.7752476894951236
Energy: 0.8003765862090055
Energy: 0.775203554131476
Energy: 1.0241486267793025
Energy: 0.8003422086669812
Energy: 0.772716225082067
Energy: 0.7732115258877731
Energy: 0.8000686386880861
Energy: 0.7758868600817106
Energy: 1.0925369861060141
Energy: 0.8002357745309826
Energy: 0.7831113660702468
Energy: 0.7845181886022713
Energy: 0.8000182795487788
Energy: 0.7547947029024685
Energy: 1.026122356356289
Energy: 0.7731031932247172
Energy: 0.7416018415213281
Energy: 0.7391907583671291
Energy: 0.773303901656227
Energy: 0.776072551777497
Energy: 1.0969082248811568
Energy: 0.803761398034878
Energy: 0.7879933854434988
Energy: 0.7681963913346923
Energy: 0.7726575629646631
Energy: 0.7877083927610053
Energy: 1.0954899253628256
Energy: 0.7561741180266072
Energy: 0.7891685994494749
Energy: 0.7784658565955026
Energy: 0.7556077324432459
Energy: 0.7777944271690961
Energy: 1.0255978978569267
Energy: 0.7913749845878174
Energy: 0.7931769223763495
Energy: 0.7723416322389876
Energy: 0.7915812891062484
Energy: 0.7915558829559
Energy: 0.8721943947845229
Energy: 0.7372071133664719
Energy: 0.7730176731281514
Energy: 0.803714336490217
Energy: 0.7346193023404509
Energy: 0.7876609471616572
Energy: 0.8714798983907805
Energy: 0.7765924780413747
Energy: 0.7937924593090872
Energy: 0.7735407498939804
Energy: 0.7411893487606088
Energy: 0.7457882778008184
Energy: 0.8896903979044342
Energy: 0.7582797490762494
Energy: 0.7578434678851663
Energy: 0.7733430160472698
Energy: 0.7582467402462438
Energy: 0.7575784525653818
Energy: 0.802569772298585
Energy: 0.7692020717272133
Energy: 0.7657680205256063
Energy: 0.800182340071503
Energy: 0.7909653046076307
Energy: 0.7740017651558079
Energy: 0.8026052909561118
Energy: 0.7761601364970051
Energy: 0.7651999039616235
Energy: 0.8011558703558569
Energy: 0.7991568163462812
Energy: 0.7416857189494611
Energy: 0.8092741761962827
Energy: 0.7847098131596263
Energy: 0.7523945363541018
Energy: 0.7848448334742967
Energy: 0.7847009595712036
Energy: 0.7533506383597651
Energy: 0.8713289769705227
Energy: 0.7750603388669003
Energy: 0.7942357372812152
Energy: 0.7725586760992917
Energy: 0.7428711538799454
Energy: 0.7432188415556397
Energy: 0.8729844785120717
Energy: 0.7647951414749653
Energy: 0.7818253820563101
Energy: 0.8032147359751973
Energy: 0.7662783498188178
Energy: 0.7882591171797804
Energy: 1.033352634665281
Energy: 0.7865179807486872
Energy: 0.7866970336551147
Energy: 0.7552950799307064
Energy: 0.7866069267610644
Energy: 0.7601018682134099
Energy: 0.9576417367837166
Energy: 0.7557174690729134
Energy: 0.7802886795479707
Energy: 0.7914221359282276
Energy: 0.7551187417407031
Energy: 0.7910770108652139
Energy: 0.9481547784011083
Energy: 0.8023081149556022
Energy: 0.8048695619423469
Energy: 0.735404803417098
Energy: 0.8027378163335117
Energy: 0.779366220236187
Energy: 1.0257898638086598
Energy: 0.7740721077999894
Energy: 0.7748678673327918
Energy: 0.7385569654360281
Energy: 0.7726224198668764
Energy: 0.79387674799078
Energy: 1.232606508742786
Energy: 0.7547605727031194
Energy: 0.7577470498635914
Energy: 0.757710213574367
Energy: 0.7868488277556696
Energy: 0.7576119491474169
Energy: 0.9496245323119097
Energy: 0.7997747558052685
Energy: 0.7558008936350377
Energy: 0.7913292553773117
Energy: 0.7998402087651713
Energy: 0.7640040641154513
Energy: 1.0292794508359144
Energy: 0.7995646797612328
Energy: 0.7722753321385127
Energy: 0.7991621111973138
Energy: 0.8010406268559462
Energy: 0.7759274228116054
Energy: 1.0927810375561224
Energy: 0.7932207472799827
Energy: 0.7845172927925306
Energy: 0.7534175409425576
Energy: 0.8083735261515104
Energy: 0.7715029868343954
Energy: 1.028256914922552
Energy: 0.7719865939968233
Energy: 0.7409563303671124
Energy: 0.7751405011578826
Energy: 0.7720876325084536
Energy: 0.7945160882129851
Energy: 1.0258948677838406
Energy: 0.803841680304643
Energy: 0.7874057040722372
Energy: 0.7773700721908934
Energy: 0.8031311301154288
Energy: 0.7806850880637476
Energy: 1.0941588311538926
Energy: 0.7562454326765253
Energy: 0.7581976386163929
Energy: 0.7873544811144482
Energy: 0.7555921108314881
Energy: 0.7589974578531136
Energy: 1.0264253995598194
Energy: 0.7905238941307531
Energy: 0.7915499216319476
Energy: 0.7555818950971035
Energy: 0.7395771260215778
Energy: 0.7793093208871384
Energy: 0.8738678292215437
Energy: 0.791060216489707
Energy: 0.7917394383540056
Energy: 0.7731614306845261
Energy: 0.7396275013499147
Energy: 0.7890375266250741
Energy: 0.8737799537155835
Energy: 0.7414386142890187
Energy: 0.7931367389225062
Energy: 0.7732135976209321
Energy: 0.7393981204616048
Energy: 0.7763037528832764
Energy: 0.8824648013417482
Energy: 0.7577357104310561
Energy: 0.7578072389358325
Energy: 0.783058786625448
Energy: 0.7580120257769299
Energy: 0.7575658736896362
Energy: 0.7994721130284927
Energy: 0.7353348705542889
Energy: 0.7355518490553887
Energy: 0.7996585622268576
Energy: 0.7695855467414074
Energy: 0.7895355020915469
Energy: 0.8001828479709558
Energy: 0.7746525066266509
Energy: 0.766464977850931
Energy: 0.8008410683869333
Energy: 0.7749670514573503
Energy: 0.7407289406644315
Energy: 0.800740008373702
Energy: 0.7537814785095095
Energy: 0.7532839917331592
Energy: 0.8009810353512287
Energy: 0.7840947919626856
Energy: 0.7511015858859607
Energy: 0.8712466093757706
Energy: 0.775572965384992
Energy: 0.7938825168586828
Energy: 0.7718638370901245
Energy: 0.775302437894162
Energy: 0.7418232039539349
Energy: 0.8708635783810661
Energy: 0.7645619977823478
Energy: 0.7658436955859526
Energy: 0.8049489657094407
Energy: 0.776979975910576
Energy: 0.7875684070430917
Energy: 0.8716717704284754
Energy: 0.7859056869894304
Energy: 0.7576409763677188
Energy: 0.7537434046566687
Energy: 0.787153325500292
Energy: 0.7598582692062512
Energy: 0.9480421343693278
Energy: 0.7787660965255642
Energy: 0.7797846797092765
Energy: 0.7347451589620208
Energy: 0.7556088531864806
Energy: 0.779780128232245
Energy: 0.9553840537187227
Energy: 0.7743878728497086
Energy: 0.754678268067713
Energy: 0.7918346747499372
Energy: 0.7746616514319162
Energy: 0.7913766249923524
Energy: 1.0259845126202902
Energy: 0.8021280720335022
Energy: 0.8047421656481676
Energy: 0.7400117480237569
Energy: 0.8028328131301071
Energy: 0.7769377647617971
Energy: 1.2329656631300268
Energy: 0.7874548296974245
Energy: 0.7573704203201923
Energy: 0.7580229069960528
Energy: 0.7831986535715025
Energy: 0.7574600991930175

minimum gb energy = 0.7346193023404509 eV
minimum distance =  2.39608630394023 Angstroms
sigma value = 51


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

Energy: 1.2466804170553185
Energy: 0.7855675132140529
Energy: 0.7844386717364313
Energy: 0.7714651754421202
Energy: 0.8181967040109398
Energy: 0.8446772718339721
Energy: 1.025287774943565
Energy: 0.8008147879853793
Energy: 0.7870830964316698
Energy: 0.7370392704292763
Energy: 0.8187916219073295
Energy: 0.7596522507447622
Energy: 1.1290248722037717
Energy: 0.7996672022641987
Energy: 0.8007039652552029
Energy: 0.7677253025841091
Energy: 0.8195440114617726
Energy: 0.7977084144378422
Energy: 1.1287498952684558
Energy: 0.7826991808025285
Energy: 0.784196238132248
Energy: 0.7321745912207939
Energy: 0.7816540500140632
Energy: 0.7709409095011452
Energy: 0.9636078993099522
Energy: 0.803582140069612
Energy: 0.7369540761569333
Energy: 0.7370672193356469
Energy: 0.8180909062979438
Energy: 0.7380141732219955
Energy: 0.9625476814525389
Energy: 0.8160265255582946
Energy: 0.8164487119793854
Energy: 0.8027213344043297
Energy: 0.8145732925253908
Energy: 0.8165262869571817
Energy: 0.9618243389219912
Energy: 0.7365541960894143
Energy: 0.7388977047082627
Energy: 0.8029210619993381
Energy: 0.737535688968141
Energy: 0.7374963692396299
Energy: 0.9587936810300577
Energy: 0.73879546928712
Energy: 0.7772363016722745
Energy: 0.7817250795721541
Energy: 0.7161403457750425
Energy: 0.7889709152138183
Energy: 0.819858483407866
Energy: 0.7888124518560058
Energy: 0.7882634207166512
Energy: 0.8197875225941811
Energy: 0.787458469990735
Energy: 0.7982802819095863
Energy: 0.8190175427432066
Energy: 0.7731329809028474
Energy: 0.7774108398363132
Energy: 0.8188363651123176
Energy: 0.7706773937742479
Energy: 0.8226900057752485
Energy: 0.8313200786833422
Energy: 0.7479220503969428
Energy: 0.7814363518288272
Energy: 0.8389643853360541
Energy: 0.7643662641316414
Energy: 0.771163774295286
Energy: 0.8569100153937296
Energy: 0.735889299692527
Energy: 0.7499674305600105
Energy: 0.7994071309373005
Energy: 0.7798383343422074
Energy: 0.7855142148502764
Energy: 0.856103868699412
Energy: 0.798885167925735
Energy: 0.7971382380928935
Energy: 0.8239132240249616
Energy: 0.8281642652939434
Energy: 0.8252446720408596
Energy: 0.857318083863615
Energy: 0.7548979927208284
Energy: 0.7550988301185337
Energy: 0.7898023607226031
Energy: 0.7333419009737036
Energy: 0.7551410082335158
Energy: 1.0242490699131612
Energy: 0.763576756557041
Energy: 0.7633341985202982
Energy: 0.7470633709945472
Energy: 0.7764102625959842
Energy: 0.7628781341690438
Energy: 1.0295733538350376
Energy: 0.800750144181989
Energy: 0.7772329212710607
Energy: 0.747063982101567
Energy: 0.801047119089221
Energy: 0.7507374374693276
Energy: 1.0468438957304562
Energy: 0.8010068651541966
Energy: 0.786742152702485
Energy: 0.7912766742113568
Energy: 0.8012597805126995
Energy: 0.7605171229649904
Energy: 1.2271283355404023
Energy: 0.7877328254582512
Energy: 0.7715752188242019
Energy: 0.736588346313298
Energy: 0.7991219663717548
Energy: 0.786337742486548

minimum gb energy = 0.7161403457750425 eV
minimum distance =  2.33569398175003 Angstroms
sigma value = 19


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

Energy: 1.0563145780081924
Energy: 0.7818610249635973
Energy: 0.7829538798264918
Energy: 0.847502794474616
Energy: 0.771379348804483
Energy: 0.7825022254846682
Energy: 1.0606545443677242
Energy: 0.7712518149256131
Energy: 0.7712481419524823
Energy: 0.8047519348167309
Energy: 0.7712840248488962
Energy: 0.7714546826747556
Energy: 0.9083900226340977
Energy: 0.7715712851414476
Energy: 0.7713492358271531
Energy: 0.8018750761588354
Energy: 0.7714889729716646
Energy: 0.7715024015852927
Energy: 0.9043123794161821
Energy: 0.7711310473462997
Energy: 0.7713033698910784
Energy: 0.7889492366154559
Energy: 0.7711105200705417
Energy: 0.7720159043492397
Energy: 0.9093951589613826
Energy: 0.7710470760086927
Energy: 0.8003516797276535
Energy: 0.7997100613452279
Energy: 0.7708434209154117
Energy: 0.8004915239470504
Energy: 0.9101184529688623
Energy: 0.7487962250262215
Energy: 0.7993018654291806
Energy: 0.8030838153468067
Energy: 0.7488189483901961
Energy: 0.800746671071092
Energy: 0.9098686406865056
Energy: 0.8014096249230725
Energy: 0.8008620100090977
Energy: 0.8011467605825066
Energy: 0.7574768157250336
Energy: 0.799756292781314
Energy: 0.8674377682951289
Energy: 0.7431780472456309
Energy: 0.7429000550823451
Energy: 0.7721809404278104
Energy: 0.7431718411772485
Energy: 0.743258256429158
Energy: 0.7714986343490379
Energy: 0.7429261793471934
Energy: 0.7426019533495751
Energy: 0.771552198198081
Energy: 0.7430652482671118
Energy: 0.7482481374373567
Energy: 0.772373853024948
Energy: 0.7762668599557075
Energy: 0.771386334533547
Energy: 0.7711566425347396
Energy: 0.8021639917712328
Energy: 0.771315345210837
Energy: 0.7707210410001166
Energy: 0.7894251353187908
Energy: 0.7907773681028263
Energy: 0.7708125290773964
Energy: 0.7911630124734536
Energy: 0.7706879859975585
Energy: 0.9089791426408987
Energy: 0.8037724195929452
Energy: 0.7997222341178201
Energy: 0.7711276237082684
Energy: 0.805322840077571
Energy: 0.7710328807976238
Energy: 0.7484929581397295
Energy: 0.798932832483129
Energy: 0.8006764638708131
Energy: 0.7508246025141098
Energy: 0.7997140081326192
Energy: 0.8036960562011398
Energy: 0.9098151019764616
Energy: 0.8027979098220203
Energy: 0.8029131965705384
Energy: 0.7714619259235649
Energy: 0.8030798357986384
Energy: 0.8025386805948587
Energy: 1.0602449823979934
Energy: 0.7713127068988987
Energy: 0.771409035189719
Energy: 0.7432234257393414
Energy: 0.7711119153011122
Energy: 0.7491678516709986
Energy: 1.059820714841907
Energy: 0.7734523812449676
Energy: 0.7556672870115494
Energy: 0.7432082508099352
Energy: 0.771683289949308
Energy: 0.7429008520363258
Energy: 0.909312605464525
Energy: 0.7710655875904739
Energy: 0.7711419274774483
Energy: 0.8033703872207504
Energy: 0.771192093746074
Energy: 0.7714093375879626
Energy: 0.901738993045102
Energy: 0.7712264155390642
Energy: 0.7712859534063019
Energy: 0.788927634188741
Energy: 0.7711831767038403
Energy: 0.7714898200294454
Energy: 0.9015656387398191
Energy: 0.7716977317013708
Energy: 0.771280574288553
Energy: 0.7887988193597634
Energy: 0.7716621722199493
Energy: 0.7710415124989548
Energy: 0.9099674132431005
Energy: 0.7488437000071766
Energy: 0.8003977774408421
Energy: 0.8051629297019074
Energy: 0.7486826779363933
Energy: 0.7989942518567735
Energy: 0.9069696712655401
Energy: 0.8007456316324955
Energy: 0.8022319511464977
Energy: 0.802146094176612
Energy: 0.7710132669204223
Energy: 0.8024007448826334
Energy: 0.9096044459171772
Energy: 0.8006651487718437
Energy: 0.8001683375622535
Energy: 0.7713840197743362
Energy: 0.7583477528509353
Energy: 0.799802601562089
Energy: 0.869270104953108
Energy: 0.7436579490241311
Energy: 0.7426026807776622
Energy: 0.8696938400805785
Energy: 0.7424283947170389
Energy: 0.7459805814146897
Energy: 0.7712168657690088
Energy: 0.7751924137088608
Energy: 0.771553212856939
Energy: 0.7712734921304548
Energy: 0.7835108923907291
Energy: 0.7712651320325151
Energy: 0.7714465589271273
Energy: 0.7995096774318655
Energy: 0.7712078632543534
Energy: 0.7714716298674038
Energy: 0.8037071041710936
Energy: 0.7715137104044344
Energy: 0.8706869475740401
Energy: 0.789096273921179
Energy: 0.7892750600271266
Energy: 0.8682791604703061
Energy: 0.7891112305630427
Energy: 0.7713461145915589
Energy: 0.9094441641676637
Energy: 0.7990430635121438
Energy: 0.7998046662843722
Energy: 0.7720961158627995
Energy: 0.8011252284799116
Energy: 0.799784469445973
Energy: 0.7487553214106518
Energy: 0.8002000384719432
Energy: 0.7990065702903136
Energy: 0.7487261897187567
Energy: 0.8017623853043083
Energy: 0.7993374066717835
Energy: 0.869616726587603
Energy: 0.8010002779904662
Energy: 0.7988807768318432
Energy: 0.7580196251372748
Energy: 0.8011522401551416
Energy: 0.8018143753860861
Energy: 1.0596440315179816
Energy: 0.7718298595892552
Energy: 0.7484231786250384
Energy: 0.7430532655345468
Energy: 0.7714438362966597
Energy: 0.742678850259269

minimum gb energy = 0.7424283947170389 eV
minimum distance =  2.41416502802829 Angstroms
sigma value = 27


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

Energy: 0.9023137314133185
Energy: 0.8130923945743009
Energy: 0.9111670197625318
Energy: 0.7492514666360727
Energy: 0.7729970297018526
Energy: 0.7823500537561499
Energy: 0.8028738925349609
Energy: 0.7733994168787338
Energy: 0.6997030596545892
Energy: 0.7078238830944228
Energy: 0.7732072101615416
Energy: 0.6700533813567604
Energy: 0.8141763115677103
Energy: 0.7711977521825545
Energy: 0.7132767662023393
Energy: 0.6706878079535611
Energy: 0.7710829884365837
Energy: 0.7134533367345713
Energy: 0.719543560548177
Energy: 0.707624080357729
Energy: 0.6709539184500366
Energy: 0.7006818272681348
Energy: 0.7101163914345788
Energy: 0.6698953201915198
Energy: 0.8932051352807208
Energy: 0.7019924819565896
Energy: 0.6703481568284714
Energy: 0.7291499752342291
Energy: 0.6948872116869071
Energy: 0.6713656587599186
Energy: 0.770142141663269
Energy: 0.6962549052667495
Energy: 0.7016311987619789
Energy: 0.7701664766763928
Energy: 0.6942759835992182
Energy: 0.6653877081316517
Energy: 0.7734231633598544
Energy: 0.7063860873262331
Energy: 0.6992951159998658
Energy: 0.7737116555170319
Energy: 0.7062823284444101
Energy: 0.7127966213916087
Energy: 0.7742994107333699
Energy: 0.695856113630592
Energy: 0.6958486382085598
Energy: 0.7741930014736695
Energy: 0.6959482311489353
Energy: 0.6957479832923292
Energy: 0.8138508458349745
Energy: 0.6957616310287001
Energy: 0.6703309419179725
Energy: 0.773674224628029
Energy: 0.6963867908035026
Energy: 0.6711439436406765
Energy: 0.7178076651083733
Energy: 0.6993267247116943
Energy: 0.6986184779653098
Energy: 0.7512617985405451
Energy: 0.7010916987323972
Energy: 0.7124333483622994
Energy: 0.8144061632242029
Energy: 0.7476022273201387
Energy: 0.7493127037748468
Energy: 0.7126707684433446
Energy: 0.7481994463249544
Energy: 0.7497382552066234
Energy: 0.8028738945767546
Energy: 0.7112648418337019
Energy: 0.7122069271901449
Energy: 0.7080772480106354
Energy: 0.7122202604061975
Energy: 0.6701695142502346

minimum gb energy = 0.6653877081316517 eV
minimum distance =  2.40465456793148 Angstroms
sigma value = 9


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

Energy: 1.4250406227879517
Energy: 0.7842932988004091
Energy: 0.7076503953378425
Energy: 0.6525517853775676
Energy: 0.7071198552675126
Energy: 0.6545616908421278
Energy: 0.6394340875028264
Energy: 0.6654837118302117
Energy: 0.6254922651722289
Energy: 0.6367315474958133
Energy: 0.6648366999947269
Energy: 0.638164395338745
Energy: 0.6923505751227933
Energy: 0.6681935163394175
Energy: 0.6610970337426818
Energy: 0.6635345936251682
Energy: 0.6665613076702097
Energy: 0.6529281219858942
Energy: 0.6943677463128956
Energy: 0.616232330268562
Energy: 0.6154621907617108
Energy: 0.6439056396294608
Energy: 0.6505080018414852
Energy: 0.61555426465482
Energy: 0.7311190267186639
Energy: 0.6360744017631347
Energy: 0.6082594500674371
Energy: 0.6646957497736349
Energy: 0.6356516037035448
Energy: 0.6480615173564795
Energy: 0.6768298588009034
Energy: 0.607587574665091
Energy: 0.6101780082297793
Energy: 0.6764785333227662
Energy: 0.6376895872799072
Energy: 0.6086848640941295
Energy: 0.6769508631135187
Energy: 0.6159439661920291
Energy: 0.6155497877188355
Energy: 0.6780339712540082
Energy: 0.6193655263039067
Energy: 0.6774047267660561
Energy: 0.6767384796797568
Energy: 0.6427498829019511
Energy: 0.6162889333352863
Energy: 0.6770271393852626
Energy: 0.6432777158565223
Energy: 0.6543825698282352
Energy: 0.8009861154536851
Energy: 0.6427336486210238
Energy: 0.6545821942139406
Energy: 0.6652777426589788
Energy: 0.6591626126997676
Energy: 0.6461504190041688
Energy: 0.6446618051288103
Energy: 0.6199127619257626
Energy: 0.6160469390008696
Energy: 0.6344727586691196
Energy: 0.6418659498050212
Energy: 0.6154024228433994
Energy: 0.638572153722856
Energy: 0.6774329435637039
Energy: 0.668622532792869
Energy: 0.6472791489082415
Energy: 0.6770177698815316
Energy: 0.6645069201887084
Energy: 0.8192240949845133
Energy: 0.6772169837485262
Energy: 0.6485851990120266
Energy: 0.6285078252551399
Energy: 0.6772853295761085
Energy: 0.6156194653484917
Energy: 1.2507891475217465
Energy: 0.7641358801809109
Energy: 0.6141176348100947
Energy: 0.6147343481960352
Energy: 0.6464427945895036
Energy: 0.6540571348623695
Energy: 0.8162745112987493
Energy: 0.6629796155704868
Energy: 0.6495135900297345
Energy: 0.628442802180763
Energy: 0.6782826395416724
Energy: 0.6486778108537683
Energy: 0.6655794555408614
Energy: 0.6460332470967135
Energy: 0.6458250157058735
Energy: 0.66579065507068
Energy: 0.6476908243288726
Energy: 0.6476322488054569
Energy: 0.6658377747235296
Energy: 0.6369983490678064
Energy: 0.6378877999257886
Energy: 0.6666790848413624
Energy: 0.6516291416238719
Energy: 0.6551227172378352
Energy: 0.6650204930299035
Energy: 0.6144694048003274
Energy: 0.6086417512670791
Energy: 0.6642471300995045
Energy: 0.6266693663722475
Energy: 0.6401641648173054
Energy: 0.6935058007145236
Energy: 0.6221921077708213
Energy: 0.6466058593454611
Energy: 0.664433615725579
Energy: 0.6419916346964063
Energy: 0.6224757592334882
Energy: 0.6925857302478919
Energy: 0.6350514973982216
Energy: 0.635386865524405
Energy: 0.6650305997810881
Energy: 0.6338074737066064
Energy: 0.6358790809393517
Energy: 0.6918951587903278
Energy: 0.6482067888384211
Energy: 0.6354943917068072
Energy: 0.6472083158913857
Energy: 0.6475911541769397
Energy: 0.6338861120023433
Energy: 0.6924297286477316
Energy: 0.6616755691679245
Energy: 0.6323287622417789
Energy: 0.6454931071246617
Energy: 0.6601115457108744
Energy: 0.6405333135821318
Energy: 0.7318287824750673
Energy: 0.6511050861625775
Energy: 0.6487474181654058
Energy: 0.6374130507784369
Energy: 0.6650616283972257
Energy: 0.6109097989462887
Energy: 0.7292625983074228
Energy: 0.6497088383166995
Energy: 0.6455172543160134
Energy: 0.6368057589332377
Energy: 0.6644809589908547
Energy: 0.6099652052605729
Energy: 0.6920569894175846
Energy: 0.6679705463074936
Energy: 0.6629661645472626
Energy: 0.6314201704654879
Energy: 0.6659427509601132
Energy: 0.6448180355217679
Energy: 0.9098516211068629
Energy: 0.6220612686657938
Energy: 0.6468965156456157
Energy: 0.6447357929104778
Energy: 0.665053722264945
Energy: 0.6462034006714799
Energy: 0.6916155458002643
Energy: 0.6279916474120812
Energy: 0.6112770713077972
Energy: 0.667831799509072
Energy: 0.6284122062983516
Energy: 0.6481569776946274
Energy: 0.6333922225648317
Energy: 0.6290309055417513
Energy: 0.6173743149853043
Energy: 0.6336410732533749
Energy: 0.6385196537903047
Energy: 0.6422809941327932
Energy: 0.6771998342161198
Energy: 0.6162288886517292
Energy: 0.6108962291901797
Energy: 0.6773777169881711
Energy: 0.6283831814437476
Energy: 0.6159772523553417
Energy: 0.6771694357066642
Energy: 0.6332336831702201
Energy: 0.6521763855877583
Energy: 0.6771939465182186
Energy: 0.6423387380899687
Energy: 0.6728618740448788
Energy: 0.6723570740764324
Energy: 0.6448316864079024
Energy: 0.6159829034771067
Energy: 0.6613582359282902
Energy: 0.6432661492939592
Energy: 0.6158797642120487
Energy: 0.6387420848286681
Energy: 0.6169943780440101
Energy: 0.6494290521728271
Energy: 0.6459726236985809
Energy: 0.6419356196844741
Energy: 0.6697632845624658
Energy: 0.6426479705202931
Energy: 0.6480419221518371
Energy: 0.6468334235978167
Energy: 0.6352287940076858
Energy: 0.6770695429699531
Energy: 0.6155946511941951
Energy: 0.8171704102164187
Energy: 0.6782737185766282
Energy: 0.6771777369830061
Energy: 0.6629804087472386
Energy: 0.6790292859847129
Energy: 0.6157612679603885
Energy: 0.6883629343052082
Energy: 0.6770827721575072
Energy: 0.6568035080535163
Energy: 0.6435030505805908
Energy: 0.6770831216212744
Energy: 0.6139186518766933
Energy: 0.6848514361148933
Energy: 0.652707950598093
Energy: 0.6555387182553712
Energy: 0.6432810864590799
Energy: 0.6648898470087808
Energy: 0.6492356655133669
Energy: 0.687682048337081
Energy: 0.6476577068254333
Energy: 0.6200256017551891
Energy: 0.6559227221077095
Energy: 0.6490350238522851
Energy: 0.6183974174600239
Energy: 0.6668703125562001
Energy: 0.652254136107168
Energy: 0.6472935657401435
Energy: 0.6662162407126708
Energy: 0.6517880142102833
Energy: 0.6540233227099511
Energy: 0.6646358585907943
Energy: 0.6388800035538631
Energy: 0.6350683922926493
Energy: 0.6646991048514589
Energy: 0.637925676960381
Energy: 0.6448786917341289
Energy: 0.695339173497687
Energy: 0.6258925530199139
Energy: 0.6156099787187941
Energy: 0.6849779027497344
Energy: 0.6263263402129883
Energy: 0.6694723066543785
Energy: 0.6914527056291677
Energy: 0.639192805475384
Energy: 0.6409842893376192
Energy: 0.6647977210769372
Energy: 0.6386342603905985
Energy: 0.6415224741964882
Energy: 0.6907704460022905
Energy: 0.6348274683501445
Energy: 0.6357183808115169
Energy: 0.6458091773295103
Energy: 0.6483063127616264
Energy: 0.6396488854170322
Energy: 0.6931648457444635
Energy: 0.649191681052451
Energy: 0.6545917213933015
Energy: 0.6441470023496085
Energy: 0.6484826116331702
Energy: 0.6321923046231679
Energy: 0.7292386399854425
Energy: 0.6265620687888529
Energy: 0.6524795669292903
Energy: 0.6369620289890362
Energy: 0.6646492200734425
Energy: 0.6097997319796268

minimum gb energy = 0.607587574665091 eV
minimum distance =  2.36182057981113 Angstroms
sigma value = 57


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

Energy: 0.5532325087245115
Energy: 0.5281567211526856
Energy: 0.32655191777715775
Energy: 0.32484960009544617
Energy: 0.5167051308390587
Energy: 0.5447991833793935
Energy: 0.5541884348117291
Energy: 0.5562658228012536
Energy: 0.5232319397168497
Energy: 0.601621740694337
Energy: 0.6024268442385375
Energy: 0.5478797231194166
Energy: 0.7389764319279662
Energy: 0.751549389343776
Energy: 0.5219173471542405
Energy: 0.5469566814118091
Energy: 0.5495911817648731
Energy: 0.7299134450412245
Energy: 0.7389995376917513
Energy: 0.7173680420160378
Energy: 0.7381905685300685
Energy: 0.6790249732615937
Energy: 0.6957031540668178
Energy: 0.6912169862824614
Energy: 0.7364159736170166
Energy: 0.44262144733057746
Energy: 0.4410699197209051
Energy: 0.6923801843434378
Energy: 0.32497905520465775
Energy: 0.6777842095834108
Energy: 0.6982477234554281
Energy: 0.441534447836341
Energy: 0.4443889837472634
Energy: 0.695763772392339
Energy: 0.329467881278399
Energy: 0.34893483701095496
Energy: 0.7401511582415506
Energy: 0.6933671839991385
Energy: 0.6902461094158764
Energy: 0.6969226852424383
Energy: 0.7034915999453663
Energy: 0.6951342700083118
Energy: 0.7652493841119655
Energy: 0.7355601184018413
Energy: 0.7343715563211294
Energy: 0.733687583407351
Energy: 0.742397708618862
Energy: 0.7454759727733957
Energy: 0.7493703688307086
Energy: 0.7442179316871516
Energy: 0.7433720644542849
Energy: 0.7683584460301809
Energy: 0.7604081160539159
Energy: 0.7493912149801535
Energy: 0.3240119742186622
Energy: 0.7674351817062852
Energy: 0.3266983122702124
Energy: 0.3243140465779427
Energy: 0.760664722154989
Energy: 0.344485022549797
Energy: 0.32409118317625824
Energy: 0.7633714533356616
Energy: 0.7639437600156812
Energy: 0.3245314259132253
Energy: 0.7527242422360845
Energy: 0.32654213934619153
Energy: 0.7655698381767782
Energy: 0.7610061605061871
Energy: 0.7457139070251019
Energy: 0.7400406973197641
Energy: 0.7490127720295898
Energy: 0.7380934794526006
Energy: 0.7111394536316943
Energy: 0.7117055868035101
Energy: 0.7141946477995472
Energy: 0.7439517745345106
Energy: 0.7376360774699109
Energy: 0.7574763872097227
Energy: 0.7659714031993563
Energy: 0.7167684562042381
Energy: 0.6939128517465671
Energy: 0.6987487776775806
Energy: 0.7166927509953861
Energy: 0.6935533985111518
Energy: 0.7120024293337227
Energy: 0.332399529789064
Energy: 0.3260469206304653
Energy: 0.7075929676768896
Energy: 0.4399129670496943
Energy: 0.44866615450012676
Energy: 0.7081488781045506
Energy: 0.6902065981747126
Energy: 0.6878881077722163
Energy: 0.6767443007836261
Energy: 0.4408733941773755
Energy: 0.681252463047847
Energy: 0.7103919119683915
Energy: 0.6983319130352378
Energy: 0.6861134467595055
Energy: 0.7100715019131059
Energy: 0.7393401829175209
Energy: 0.7162433843055632
Energy: 0.7387673938674685
Energy: 0.7294046691139544
Energy: 0.5497294930893705
Energy: 0.5495632461979455
Energy: 0.5468374335387957
Energy: 0.5997068853088866
Energy: 0.5542535279258489
Energy: 0.5546650366356656
Energy: 0.5214245287163407
Energy: 0.32457792373071137
Energy: 0.5532618807248239
Energy: 0.5218505978871373

minimum gb energy = 0.3240119742186622 eV
minimum distance =  2.38342830844273 Angstroms
sigma value = 11


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

Energy: 1.1587055003625584
Energy: 0.497780558427619
Energy: 0.6408644140188173
Energy: 0.5011983339144331
Energy: 0.6209598680538335
Energy: 0.6363068850241386
Energy: 0.5236295787029018
Energy: 0.5149031609813481
Energy: 0.5174862062287069
Energy: 0.5106819087600607
Energy: 0.5085637325741446
Energy: 0.5070529830341601
Energy: 0.512877557719688
Energy: 0.5075172281609114
Energy: 0.5125996017771489
Energy: 0.5140035617201777
Energy: 0.521685547005889
Energy: 0.5100398452598385
Energy: 0.5119984148018992
Energy: 0.5308725180721459
Energy: 0.5082842801714677
Energy: 0.5129307129945633
Energy: 0.5107952230498812
Energy: 0.5062017234900512
Energy: 0.5017691991508532
Energy: 0.6209137663375968
Energy: 0.5628727372679467
Energy: 0.5241509513693552
Energy: 0.5357659583186233
Energy: 0.5140709426292435
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Energy: 0.5133214256272765
Energy: 0.5117669055609582
Energy: 0.5139458047403335
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Energy: 0.5588955946363716
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Energy: 0.5192521521154685
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Energy: 0.5110447153051334
Energy: 0.5174296006506359
Energy: 0.5308064716834792
Energy: 0.5296571150235736
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Energy: 0.5453278922253162
Energy: 0.5181427959261705
Energy: 0.5070142386300776
Energy: 0.529875266052089
Energy: 0.5102693503770689
Energy: 0.5153518522505606
Energy: 0.9399160810667828
Energy: 0.5601489768539573
Energy: 0.5599400297005896
Energy: 0.6476630616931586
Energy: 0.5599807478484312
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Energy: 0.5603904926309039
Energy: 0.5213143860046355
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Energy: 0.48819223560510094
Energy: 0.5337035796331618
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Energy: 0.5144697770205797
Energy: 0.6206719699228639
Energy: 0.6212458348244445
Energy: 0.6192464489887896
Energy: 0.5169740680167378
Energy: 0.5615152632241389
Energy: 0.6188631409315517
Energy: 0.6207007822688753
Energy: 0.5334826391596567
Energy: 0.5539812797918375
Energy: 0.5882127806647719
Energy: 0.8247669637239181
Energy: 0.5196439927886511
Energy: 0.7724803203642882
Energy: 0.6211800711399129
Energy: 0.6191288915784484
Energy: 0.5712313326893594
Energy: 0.5770900074480264
Energy: 0.619357927490944
Energy: 0.7985073120594808
Energy: 0.5717749689815609
Energy: 0.5096608728674186
Energy: 0.7115817878083888
Energy: 0.5977195298504813
Energy: 0.4881798593650393
Energy: 0.9936094950234448
Energy: 0.5619579360006769
Energy: 0.563423061085232
Energy: 0.526311399781879
Energy: 0.5713494031337175
Energy: 0.6179137881989468
Energy: 0.7818399995348061
Energy: 0.5128350393907569
Energy: 0.508161926428544
Energy: 0.5105469869820974
Energy: 0.5225461410580758
Energy: 0.5106185541436536
Energy: 0.6574244768239855
Energy: 0.6358663901224897
Energy: 0.5201040709918983
Energy: 0.6376193480880211
Energy: 0.626445264181112
Energy: 0.50980536221566
Energy: 0.7715694539452447
Energy: 0.5767656533548345
Energy: 0.5636497246145433
Energy: 0.5600596516251525
Energy: 0.6190993544816152
Energy: 0.5622046228540517
Energy: 0.7295318005748883
Energy: 0.5047856107695773
Energy: 0.5462428783967346
Energy: 0.7885235587016652
Energy: 0.5049181676022118
Energy: 0.4886996940052434
Energy: 0.5084958831263134
Energy: 0.5742112116455709
Energy: 0.5644535261579138
Energy: 0.5104973669674779
Energy: 0.5084513287069563
Energy: 0.5636614098053311
Energy: 0.5074795790643589
Energy: 0.510822645372216
Energy: 0.5100339371098119
Energy: 0.5072097465995251
Energy: 0.5151577905647282
Energy: 0.5147381417974007
Energy: 0.6024848767221243
Energy: 0.5136245715009061
Energy: 0.5077640302025409
Energy: 0.5159259853028931
Energy: 0.5120249913971933
Energy: 0.5137975508161279
Energy: 0.5702402407091791
Energy: 0.5096922670958131
Energy: 0.5129752464438556
Energy: 0.5141297898760646
Energy: 0.5182665357282062
Energy: 0.4889707612874618

minimum gb energy = 0.4881798593650393 eV
minimum distance =  2.37963723158589 Angstroms
sigma value = 41


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

Energy: 1.0741722242474492
Energy: 0.5986882535292779
Energy: 0.5990082583302512
Energy: 0.6416185572976852
Energy: 0.5823313095840464
Energy: 0.64506866006348
Energy: 0.5639941172048104
Energy: 0.5433681756107305
Energy: 0.5438429011951024
Energy: 0.5477597940948546
Energy: 0.5453649331839534
Energy: 0.5447727569981395
Energy: 0.5408951156562876
Energy: 0.5400667744927058
Energy: 0.5419956760965099
Energy: 0.5441329890711902
Energy: 0.5450904818856315
Energy: 0.5415859262646242
Energy: 0.5410108725771563
Energy: 0.5391799489572262
Energy: 0.5441239531464094
Energy: 0.5428208493109892
Energy: 0.5466218790398586
Energy: 0.5408930169395567
Energy: 0.5416687547260668
Energy: 0.5444810330135045
Energy: 0.5544869485627906
Energy: 0.559814383815674
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Energy: 0.5451764643443081
Energy: 0.5993783576902121
Energy: 0.5488352772875171
Energy: 0.5568494713345238
Energy: 0.55878840111938
Energy: 0.5500419158048389
Energy: 0.5556863112375574
Energy: 0.5998378544477851
Energy: 0.5464030902275719
Energy: 0.5473272569745984
Energy: 0.5447978050097675
Energy: 0.5593162921057279
Energy: 0.542414182629291
Energy: 0.5614990836580481
Energy: 0.5929445578424145
Energy: 0.5898997487494624
Energy: 0.5619079352593377
Energy: 0.5922848538764803
Energy: 0.5501285327489025
Energy: 0.5982401355758221
Energy: 0.5419400052803992
Energy: 0.544909865374447
Energy: 0.5594661329846811
Energy: 0.5470254420801098
Energy: 0.5439291033712287
Energy: 0.7835632019403225
Energy: 0.553109030259424
Energy: 0.5429112518373399
Energy: 0.7237953055642596
Energy: 0.5692130593602213
Energy: 0.5424702489993949
Energy: 0.784310124341724
Energy: 0.5538361528311645
Energy: 0.546888737095537
Energy: 0.5452487255610012
Energy: 0.5572896873198926
Energy: 0.545541652583495
Energy: 0.6133538157609894
Energy: 0.521161538748476
Energy: 0.5202955067655125
Energy: 0.5682770367492523
Energy: 0.5220846577910803
Energy: 0.5472702983705091
Energy: 0.5482478879077755
Energy: 0.5210649897288447
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Energy: 0.5692919228913923
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Energy: 0.5192548473198461
Energy: 0.5483541661145485
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Energy: 0.5931334942601154
Energy: 0.547263490945574
Energy: 0.5918218260742816
Energy: 0.593302073067651
Energy: 0.5490992135427851
Energy: 0.5919871443648791
Energy: 0.5435203082761849
Energy: 0.5411251552858033
Energy: 0.542354452181493
Energy: 0.5597458448920755
Energy: 0.5463046808702179
Energy: 0.542381947295152
Energy: 1.0024735591058056
Energy: 0.5458217396419519
Energy: 0.5222853952260982
Energy: 0.8699304502570299
Energy: 0.5488503642850957
Energy: 0.5635027716169639
Energy: 0.5631509643408324
Energy: 0.5497549782895882
Energy: 0.5448764957549562
Energy: 0.5499199038862289
Energy: 0.5609059521697543
Energy: 0.5221879583875045
Energy: 0.5419785651624281
Energy: 0.5448629454499923
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Energy: 0.5450570239508092
Energy: 0.544946674734422
Energy: 0.5428800636183393
Energy: 0.540597847145484
Energy: 0.5448711699358288
Energy: 0.5422519309127237
Energy: 0.5440064786678632
Energy: 0.5449000865351413
Energy: 0.5406551550150798
Energy: 0.5427264596563175
Energy: 0.5454787715199979
Energy: 0.5449608113925696
Energy: 0.5434767933625486
Energy: 0.5463958697456771
Energy: 0.5446337925079177
Energy: 0.5571473687439225
Energy: 0.6924529488808976
Energy: 0.7355564492635542
Energy: 0.5828952306806978
Energy: 0.6856988320481505
Energy: 0.6215834230994703
Energy: 0.6010109306566237
Energy: 0.5411574577458103
Energy: 0.5417379594838002
Energy: 0.5433303522847788
Energy: 0.5464749955968543
Energy: 0.5419400082297003
Energy: 0.5619069954699201
Energy: 0.5934282362718813
Energy: 0.5466673395278098
Energy: 0.5614360797310382
Energy: 0.5935477213847177
Energy: 0.521564762067678
Energy: 0.60003043210114
Energy: 0.5444026380497128
Energy: 0.5415752490982901
Energy: 0.5602922813535889
Energy: 0.5454362256650374
Energy: 0.5428042848953508
Energy: 0.78343354470962
Energy: 0.5534871448764773
Energy: 0.5532255138994386
Energy: 0.5463339921815701
Energy: 0.5698349012363179
Energy: 0.557946357812188
Energy: 0.7832915242779951
Energy: 0.5535844746417984
Energy: 0.5477454249183936
Energy: 0.7227680911388263
Energy: 0.5693165907432913
Energy: 0.5416988669653418
Energy: 0.6009558327244328
Energy: 0.5367231914191913
Energy: 0.553255296309844
Energy: 0.5655816627005087
Energy: 0.5204748867544419
Energy: 0.5585977441589849
Energy: 0.5491237028666573
Energy: 0.5632007169722816
Energy: 0.5645091247191606
Energy: 0.5684638849371544
Energy: 0.7375684340970132
Energy: 0.5619680831281803
Energy: 0.6494445385100305
Energy: 0.5551781525192471
Energy: 0.5533682210632463
Energy: 0.547171837674276
Energy: 0.5535940466013667
Energy: 0.5534727610867919
Energy: 0.5481079054649945
Energy: 0.5451852421734081
Energy: 0.540776406167244
Energy: 0.5472002614669728
Energy: 0.5416713697581784
Energy: 0.5394249084507977
Energy: 0.5441860742869418
Energy: 0.5461742171848523
Energy: 0.5449960441084117
Energy: 0.5471761942982196
Energy: 0.5454086359285129
Energy: 0.5486693717199318
Energy: 1.0024673428450281
Energy: 0.5474911275549089
Energy: 0.5222968833428354
Energy: 0.5256890698397777
Energy: 0.5484818309629959
Energy: 0.5266938494053263

minimum gb energy = 0.5192548473198461 eV
minimum distance =  2.37646694643886 Angstroms
sigma value = 33


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

Energy: 0.7581362930447106
Energy: 0.7042600226987379
Energy: 0.7031112134029505
Energy: 0.5960496571922428
Energy: 0.6393081917539811
Energy: 0.6017664376091995
Energy: 0.6252693908544193
Energy: 0.5827989694669364
Energy: 0.5840376876204915
Energy: 0.5974142343158678
Energy: 0.596457773035184
Energy: 0.5835969125438605
Energy: 0.5937761485607236
Energy: 0.5817200945290766
Energy: 0.5824699693353295
Energy: 0.5798416753415827
Energy: 0.5815896206224386
Energy: 0.5804505483565268
Energy: 0.5942725038391069
Energy: 0.5827109733315285
Energy: 0.5807084730881751
Energy: 0.5966507311941579
Energy: 0.5810592549653346
Energy: 0.5804225024449374
Energy: 0.5937509131980573
Energy: 0.5891624447499448
Energy: 0.5670865893322047
Energy: 0.5933383686803136
Energy: 0.6068662040954257
Energy: 0.5803075255474879
Energy: 0.647197756662935
Energy: 0.5690680430320555
Energy: 0.5861108833750281
Energy: 0.6408115187315574
Energy: 0.5693947419617987
Energy: 0.5877484627216363
Energy: 0.6252295370949017
Energy: 0.5710193654450558
Energy: 0.5830780007935193
Energy: 0.5949387278953914
Energy: 0.6150806169532742
Energy: 0.5886140364620995
Energy: 0.6165032924827814
Energy: 0.618372629618905
Energy: 0.5960313437568507
Energy: 0.5655157276625451
Energy: 0.6467716551833714
Energy: 0.5956554535820091
Energy: 0.6292553224798846
Energy: 0.566762162583844
Energy: 0.5713799846250134
Energy: 0.5673384659544001
Energy: 0.5697244719039636
Energy: 0.5724083291004833
Energy: 0.9273310098283825
Energy: 0.5812041736075932
Energy: 0.5800975183336244
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Energy: 0.5799329109504242
Energy: 0.580348577749495
Energy: 0.6259079450970018
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Energy: 0.6105257265199205
Energy: 0.5872638155700826
Energy: 0.6462860703722291
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Energy: 0.5641753920876634
Energy: 0.5914157204278543
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Energy: 0.5647347277085335
Energy: 0.6381997954701267
Energy: 0.5651044419783358
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Energy: 0.5679687222754595
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Energy: 0.5629718758784211
Energy: 0.6048546338029811
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Energy: 0.5876829321343567
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Energy: 0.580613140956696
Energy: 0.5876755650183778
Energy: 0.5630121897342864
Energy: 0.5808467127460173
Energy: 0.5793843795502515
Energy: 0.581984318513017
Energy: 0.5818173653135844
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Energy: 0.5978756380586491
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Energy: 0.5974093865406147
Energy: 0.6009568907266893
Energy: 0.5872509226330682
Energy: 0.9258781882093117
Energy: 0.5685747565482338
Energy: 0.5846328483157788
Energy: 0.8145346243650107
Energy: 0.6323048421405858
Energy: 0.5846711586596679
Energy: 0.6301910203791669
Energy: 0.568718171019245
Energy: 0.5671890242366151
Energy: 0.6297161835573584
Energy: 0.626387125157942
Energy: 0.5670470766579941
Energy: 0.5933167160308206
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Energy: 0.5643447436268485
Energy: 0.5823316280129219
Energy: 0.5652393698838922
Energy: 0.5828787029052662
Energy: 0.5676827422584092
Energy: 0.5640474534073334
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Energy: 0.5675812895093699
Energy: 0.5644700572194772
Energy: 0.5834520866576759
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Energy: 0.6533974873250741
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Energy: 0.5808937341528332
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Energy: 0.5922635203609724
Energy: 0.6002579595533064
Energy: 0.5861954859207603
Energy: 0.5669220929197227
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Energy: 0.5703929825123856
Energy: 0.6265210765499645
Energy: 0.5703301990184795
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Energy: 0.5632971285968051
Energy: 0.5716003535079104
Energy: 0.5643300128468577
Energy: 0.6241024440293466
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Energy: 0.5836338839988693
Energy: 0.5987494115958876
Energy: 0.5915178178782214
Energy: 0.5819448896593876
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Energy: 0.5822632741299741
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Energy: 0.5723705803215803
Energy: 0.5710673341053664
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Energy: 0.6209744417142623
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Energy: 0.6471334998519939
Energy: 0.5828330244992321
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Energy: 0.647601313866845
Energy: 0.5820050930875452
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Energy: 0.5988359108504765
Energy: 0.6002593980228144
Energy: 0.5885907876595878
Energy: 0.6099985352484281
Energy: 0.5949497112709062
Energy: 0.5856845282931874
Energy: 1.2324916782934598
Energy: 0.5712834170106744
Energy: 0.5645035263299267
Energy: 0.5638497904586266
Energy: 0.5733486359459635
Energy: 0.5646213845588901

minimum gb energy = 0.5621026946075469 eV
minimum distance =  2.38378507118224 Angstroms
sigma value = 67


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

Energy: 0.8980365993513774
Energy: 0.6505029203450848
Energy: 0.6495186560034705
Energy: 0.6483196442351509
Energy: 0.6543214905341501
Energy: 0.648333598255115
Energy: 0.6704997669060012
Energy: 0.6212809109884713
Energy: 0.6209024754326415
Energy: 0.6208051995161395
Energy: 0.6225442600026045
Energy: 0.6206167897945565
Energy: 0.6314072980466893
Energy: 0.5886842320902831
Energy: 0.6141709834984698
Energy: 0.6122830812069026
Energy: 0.5947998154052171
Energy: 0.6141003637051108
Energy: 0.6313046932621215
Energy: 0.6151801862863172
Energy: 0.6140734247746171
Energy: 0.61236474595799
Energy: 0.6110783327425564
Energy: 0.6139249934694121
Energy: 0.6476501229989081
Energy: 0.621978452037349
Energy: 0.6221948531375674
Energy: 0.6481515552469348
Energy: 0.6218364063691015
Energy: 0.6226039702226381
Energy: 0.6489596062871485
Energy: 0.6239516659790212
Energy: 0.6246330099220753
Energy: 0.6494494401849854
Energy: 0.6266969295825436
Energy: 0.6248989915132851
Energy: 0.6706182805737134
Energy: 0.62114844652197
Energy: 0.620898408616978
Energy: 0.5878383785270972
Energy: 0.6220915292495487
Energy: 0.6206506570006981

minimum gb energy = 0.5878383785270972 eV
minimum distance =  2.41350800885204 Angstroms
sigma value = 3


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

Energy: 0.9035661718314532
Energy: 0.7522225513155596
Energy: 0.6907921657677208
Energy: 0.6762415792500249
Energy: 1.1608397611254428
Energy: 0.6908359093102169
Energy: 0.7222207814288225
Energy: 0.7292350132147736
Energy: 0.697840920454586
Energy: 0.7248985251864621
Energy: 0.7303304243462392
Energy: 0.6957393408938517
Energy: 0.6990448073937032
Energy: 0.7167719400822032
Energy: 0.7158232504818923
Energy: 0.6992829479090119
Energy: 0.715916331686891
Energy: 0.6988016315324124
Energy: 0.6980304780959785
Energy: 0.6986496530672094
Energy: 0.6971796793794397
Energy: 0.6988402946192558
Energy: 0.7043183640073528
Energy: 0.6968553070784419
Energy: 0.6961702282405835
Energy: 0.6813956050313668
Energy: 0.693996393452074
Energy: 0.6965208200196807
Energy: 0.684787235725226
Energy: 0.6965886287425117
Energy: 0.6965491582278134
Energy: 0.6974256268095186
Energy: 0.6971644716098183
Energy: 0.6976864239446318
Energy: 0.6787544707609228
Energy: 0.6965180505722811
Energy: 0.703743049845045
Energy: 0.6844510417073016
Energy: 0.6755951518053708
Energy: 0.6945200554582683
Energy: 0.7067104469777047
Energy: 0.676071522217854
Energy: 0.8701571469656202
Energy: 0.7462860822423119
Energy: 0.680956627552053
Energy: 0.6990263842448147
Energy: 0.7152439025355535
Energy: 0.678397489454996
Energy: 0.7030038565245684
Energy: 0.6798547960378194
Energy: 0.6779700737287536
Energy: 0.678096358270249
Energy: 0.6737887948320134
Energy: 0.7186943651794356
Energy: 0.6973882593017526
Energy: 0.6783798832474764
Energy: 0.6763205586769699
Energy: 0.7357255810498563
Energy: 0.6785831874205185
Energy: 0.6870388765840784
Energy: 0.7327938750877329
Energy: 0.6859151915876385
Energy: 0.6884577740951843
Energy: 0.7025486529409238
Energy: 0.6766012234466866
Energy: 0.6760887331255274
Energy: 0.7119131049712597
Energy: 0.6874348489778183
Energy: 0.6852263203393306
Energy: 0.68519340192075
Energy: 0.6880548230015932
Energy: 0.6818546964474316
Energy: 0.6879288901658657
Energy: 0.6979280956669569
Energy: 0.6968716139849429
Energy: 0.6794902684902242
Energy: 0.6975104702246862
Energy: 0.6966145323629273
Energy: 0.700328058024469
Energy: 0.6980294214370478
Energy: 0.6988722032510016
Energy: 0.6975765544181175
Energy: 0.6997814962692548
Energy: 0.6963342906096455
Energy: 0.7153321522178882
Energy: 0.7057579404186344
Energy: 0.7147603342748156
Energy: 0.6973988932832618
Energy: 0.7033789397536753
Energy: 0.6993748070095632
Energy: 0.7122525198658987
Energy: 0.71193461289119
Energy: 0.7138593834861351
Energy: 0.730904283848369
Energy: 0.709530442362139
Energy: 0.7154966321298976
Energy: 0.7946211436669519
Energy: 0.6826968830781934
Energy: 0.682855215887367
Energy: 0.7712558672659602
Energy: 0.6988688351600183
Energy: 0.6977543472748126
Energy: 0.7851347526407761
Energy: 0.7234817674032528
Energy: 0.7286570902747708
Energy: 0.7367652372138972
Energy: 0.6891894140999523
Energy: 0.6811169751470728
Energy: 0.8044301995665751
Energy: 0.697935142079234
Energy: 0.6983930032979687
Energy: 0.7525162352039511
Energy: 0.7322801461207318
Energy: 0.6784007484398501
Energy: 0.7391189403979777
Energy: 0.6843918574500536
Energy: 0.6979084439138706
Energy: 0.6797510127105583
Energy: 0.6840178323699997
Energy: 0.6772788944253959
Energy: 0.6777094055054722
Energy: 0.6785147235715843
Energy: 0.6826522018523539
Energy: 0.6778543352450769
Energy: 0.6808362522491301
Energy: 0.6843249370251036
Energy: 0.6768430242002672
Energy: 0.6796727828107696
Energy: 0.6811274100490029
Energy: 0.6802389903510975
Energy: 0.6833708749559281
Energy: 0.6809110769318494
Energy: 0.6755673921567155
Energy: 0.6883999280614261
Energy: 0.6989955189206424
Energy: 0.6763443438033065
Energy: 0.6814599596474087
Energy: 0.6857415814088458
Energy: 0.6777391751130339
Energy: 0.7004368691016419
Energy: 0.7001069196098597
Energy: 0.6778676731320006
Energy: 0.7002986624225638
Energy: 0.6799087186763944
Energy: 0.6979928424056366
Energy: 0.697326962136985
Energy: 0.7326115734277893
Energy: 0.7088016416527343
Energy: 0.6989968813553017
Energy: 0.7257584392769886
Energy: 0.8156565943243901
Energy: 0.7365403935043602
Energy: 0.6845702908072031
Energy: 0.7122819129914151
Energy: 0.7321946171438631
Energy: 0.7083548711051217
Energy: 0.6788699015186629
Energy: 0.7354556541647704
Energy: 0.7305743337042536
Energy: 0.7171608591299282
Energy: 0.7320680442469515
Energy: 0.7085525098249764
Energy: 0.697982974639647
Energy: 0.6954886374358153
Energy: 0.7328536498009732
Energy: 0.7202491261959194
Energy: 0.7245943336866643
Energy: 0.7362266848942428
Energy: 0.6983418724315228
Energy: 0.7172152897097064
Energy: 0.7161036618163068
Energy: 0.6980848408481836
Energy: 0.7175668556165319
Energy: 0.6995326444874456
Energy: 0.7007173929901881
Energy: 0.7025028564167141
Energy: 0.705323829784391
Energy: 0.7016252692937754
Energy: 0.7066882750774708
Energy: 0.6971365358578921
Energy: 0.6968362665303017
Energy: 0.6979949551385803
Energy: 0.6970982901056494
Energy: 0.6974737992264761
Energy: 0.6985528249521523
Energy: 0.6969767305653075
Energy: 0.7098012015280803
Energy: 0.675683493295713
Energy: 0.6779902666134963
Energy: 0.6783742035403058
Energy: 0.6821804170309208
Energy: 0.6791454486911704
Energy: 0.7797888560338143
Energy: 0.6827550279878385
Energy: 0.6981313973213498
Energy: 0.6989647745354091
Energy: 0.72671685590632
Energy: 0.6833288066733342
Energy: 0.7927736433163336
Energy: 0.7355612592621119
Energy: 0.6805352046205911
Energy: 0.7331185406819579
Energy: 0.7301153746522996
Energy: 0.6810361809392519
Energy: 0.6961243014767327
Energy: 0.7090023436352455
Energy: 0.7105050677588153
Energy: 0.6785600487587098
Energy: 0.6849926120141078
Energy: 0.6821594446884746
Energy: 0.7223971011864997
Energy: 0.6786159350510272
Energy: 0.6767993962140324
Energy: 0.7229414470745757
Energy: 0.6785367357438555
Energy: 0.688780948767787
Energy: 0.7114017392637001
Energy: 0.6806806165475962
Energy: 0.6790969796351128
Energy: 0.6815466086345028
Energy: 0.6839902726433033
Energy: 0.6775378743511646
Energy: 0.6853222062330102
Energy: 0.6978802734303021
Energy: 0.697515559474607
Energy: 0.6688513137363832
Energy: 0.6989095053673983
Energy: 0.7459998376042448
Energy: 0.6734835261321742
Energy: 0.6995400872935619
Energy: 0.6974897641999462
Energy: 0.6815630673848707
Energy: 0.7048245382336749
Energy: 0.6964959001465358
Energy: 0.7146961247224741
Energy: 0.6976796174266308
Energy: 0.6985925307053042
Energy: 0.6958352574990172
Energy: 0.6975225891398465
Energy: 0.6993711927540934
Energy: 0.7724892719768208
Energy: 0.6978069166231547
Energy: 0.6975798975772391
Energy: 0.7180479772488367
Energy: 0.7082484260721801
Energy: 0.698041697239914
Energy: 0.7709029211184734
Energy: 0.6935268905956908
Energy: 0.6962005264687487
Energy: 0.7011541620954871
Energy: 0.6994880494336249
Energy: 0.7316959591994824
Energy: 0.7839138395412862
Energy: 0.7005057477091111
Energy: 0.6852710856964854
Energy: 0.7772087984136269
Energy: 0.6986338256033785
Energy: 0.7225502950325825
Energy: 0.6998316909855573
Energy: 0.7139191431470965
Energy: 0.7161345724989326
Energy: 0.7008773705875683
Energy: 0.7098062459881773
Energy: 0.7252991074528559
Energy: 1.0176174130680538
Energy: 0.6784153819067945
Energy: 0.7111755100658441
Energy: 0.7419218207752213
Energy: 0.6777474576138907
Energy: 0.7115272297090764
Energy: 0.6767785661171035
Energy: 0.693649640157478
Energy: 0.692959892155256
Energy: 0.6786497944141151
Energy: 0.6955654441215022
Energy: 0.6955567763707448
Energy: 0.6780938781587466
Energy: 0.6825915771693531
Energy: 0.6816022141059073
Energy: 0.682002669883152
Energy: 0.6837044487580308
Energy: 0.6820821112665487
Energy: 0.6767704934630048
Energy: 0.6888357047703936
Energy: 0.686761792806303
Energy: 0.6818941517044603
Energy: 0.681052858144247
Energy: 0.6825234138021414
Energy: 0.6851766622812988
Energy: 0.6986338292689723
Energy: 0.6856720987494571
Energy: 0.6856007947639747
Energy: 0.696646279556293
Energy: 0.6852411887377742
Energy: 0.6985850942985696
Energy: 0.6974990576027611
Energy: 0.6985911378795717
Energy: 0.7045108476201088
Energy: 0.6977801369207165
Energy: 0.698282950336304
Energy: 0.7221727083158258
Energy: 0.6878071425367521
Energy: 0.6819317149073191
Energy: 0.7061307929323318
Energy: 0.696468261624539
Energy: 0.6988725971614715

minimum gb energy = 0.6688513137363832 eV
minimum distance =  2.35360122100743 Angstroms
sigma value = 81


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

Energy: 1.277494666325541
Energy: 0.6558747308333136
Energy: 0.6554660153392549
Energy: 0.6559427762501961
Energy: 0.6973639398578065
Energy: 0.6557999260622306
Energy: 0.6470652464674154
Energy: 0.6999346296724851
Energy: 0.7008765867077766
Energy: 0.7023422167488748
Energy: 0.6811967804169016
Energy: 0.7017663589979912
Energy: 0.7037668559937345
Energy: 0.6707102429917642
Energy: 0.6704746702014194
Energy: 0.6925025971510083
Energy: 0.6751989497260206
Energy: 0.7155430270317612
Energy: 0.692850938491427
Energy: 0.6685081388369856
Energy: 0.6865278622867359
Energy: 0.6931379738816088
Energy: 0.664358384742829
Energy: 0.6908588096863855
Energy: 0.695287819802383
Energy: 0.6916959815645919
Energy: 0.6913189691189244
Energy: 0.6957103620358698
Energy: 0.7003907842715366
Energy: 0.6979315856406408
Energy: 0.7032759545528375
Energy: 0.6982129168589449
Energy: 0.6984118155026258
Energy: 0.7024883268843022
Energy: 0.7014783029905174
Energy: 0.6981717294333099
Energy: 0.6928379559383032
Energy: 0.6930270347985098
Energy: 0.6960795451066943
Energy: 0.6960638310863101
Energy: 0.702066831830981
Energy: 0.6985042329495206
Energy: 0.7413538494231807
Energy: 0.7430834316610607
Energy: 0.7418785522645787
Energy: 0.6819321586340268
Energy: 0.8048576185407372
Energy: 0.7046902157249364
Energy: 0.6852597112171795
Energy: 0.6581386813678424
Energy: 0.7017432503210979
Energy: 0.7013327704995131
Energy: 0.6547876553570574
Energy: 0.693586329929333
Energy: 0.6816811737108629
Energy: 0.6267301897378131
Energy: 0.6269687124906084
Energy: 0.6800311224532315
Energy: 0.6267419881317396
Energy: 0.6286144895125194
Energy: 0.6947942487377039
Energy: 0.6372202852253034
Energy: 0.6302041099161759
Energy: 0.6962066029700628
Energy: 0.6449989468046592
Energy: 0.6906482412380233
Energy: 0.6622266258314596
Energy: 0.6847545113192195
Energy: 0.6812113403652295
Energy: 0.6630374454829081
Energy: 0.6716806533454377
Energy: 0.661869063969419
Energy: 0.6603427715758826
Energy: 0.7061376193330137
Energy: 0.6950447547222461
Energy: 0.6751725350806411
Energy: 0.7040101772966667
Energy: 0.6725290386560093
Energy: 0.7165175619046493
Energy: 0.7052310564943745
Energy: 0.7042608948399849
Energy: 0.7078248830194117
Energy: 0.7064526995390119
Energy: 0.7057401265961292
Energy: 0.7479727244363359
Energy: 0.7238443179684477
Energy: 0.7138774627257376
Energy: 0.7170204069625954
Energy: 0.7188844816125886
Energy: 0.7143274521249875
Energy: 0.7136321262041333
Energy: 0.7078283345516956
Energy: 0.7084921204545331
Energy: 0.7142627119093165
Energy: 0.7135265789439319
Energy: 0.708968904066427
Energy: 0.7508183972314403
Energy: 0.6817613749340828
Energy: 0.6728166044260002
Energy: 0.7498691217114172
Energy: 0.6818155097803061
Energy: 0.6840954796568982
Energy: 0.6867300622662976
Energy: 0.7077927473846041
Energy: 0.6700544490636609
Energy: 0.6595828189898657
Energy: 0.7048243789436759
Energy: 0.6699046112637618
Energy: 0.7781733021731866
Energy: 0.6882989372882863
Energy: 0.6288821383200621
Energy: 0.6363424216544156
Energy: 0.7029445212489691
Energy: 0.6291854759290365
Energy: 0.7777049024876613
Energy: 0.6889527106446193
Energy: 0.6301904566781181
Energy: 0.6296517701321368
Energy: 0.7040791589790165
Energy: 0.6283804142477601
Energy: 0.6905073919424156
Energy: 0.6876582742510738
Energy: 0.6629880419854979
Energy: 0.6598279097520744
Energy: 0.6880228909170502
Energy: 0.6630557953139113
Energy: 0.7041232345590981
Energy: 0.6702508209926882
Energy: 0.6693895392386139
Energy: 0.7044650145245966
Energy: 0.6713817593744891
Energy: 0.6871829842957665
Energy: 0.7040993116435174
Energy: 0.7004781453473372
Energy: 0.7008206954821097
Energy: 0.7043574576975492
Energy: 0.7054475514628354
Energy: 0.7051760452931515
Energy: 0.7158314207444839
Energy: 0.7118697797814469
Energy: 0.7108761363565929
Energy: 0.7101721087338828
Energy: 0.715636112099196
Energy: 0.7104741198166165
Energy: 0.710142294348267
Energy: 0.7108078904260374
Energy: 0.7088938893631694
Energy: 0.7079524616791876
Energy: 0.7078212553242266
Energy: 0.7082566610222198
Energy: 0.7476311525779781
Energy: 0.7180208667101147
Energy: 0.7386640366781243
Energy: 0.6805906648751081
Energy: 0.7156026915984941
Energy: 0.7390291137176898
Energy: 0.7473071158106335
Energy: 0.7397396974729173
Energy: 0.7398055107488963
Energy: 0.6698846131975993
Energy: 0.7506351205351524
Energy: 0.7502895437090912
Energy: 0.688409740782718
Energy: 0.639011866337449
Energy: 0.691351146004569
Energy: 0.6941154394310335
Energy: 0.6453878616568035
Energy: 0.6908666802808202
Energy: 0.7106605610752638
Energy: 0.6261764598838291
Energy: 0.628248624322724
Energy: 0.718633720495722
Energy: 0.626434538044872
Energy: 0.6312368116133947
Energy: 0.6929681556559574
Energy: 0.6581151673389175
Energy: 0.6841548997155503
Energy: 0.6941617979746049
Energy: 0.6578198856780019
Energy: 0.6987054764652489
Energy: 0.6613711947924482
Energy: 0.711878547785769
Energy: 0.6809741129051752
Energy: 0.6757508136029908
Energy: 0.7327807897128917
Energy: 0.6712140608584036
Energy: 0.7021867403028382
Energy: 0.6908552094258301
Energy: 0.7036877227113287
Energy: 0.6834796165817154
Energy: 0.6896965332840814
Energy: 0.6862997146713014
Energy: 0.7461851391605107
Energy: 0.694958901749234
Energy: 0.6954557159955258
Energy: 0.7061337950853364
Energy: 0.6956121517975101
Energy: 0.6954418346112939
Energy: 0.7029187920750557
Energy: 0.6917871730296756
Energy: 0.6933012080324231
Energy: 0.706550267520696
Energy: 0.7014311393648448
Energy: 0.7022711732929432
Energy: 0.7438143566781645
Energy: 0.7084869271666385
Energy: 0.7020413266057806
Energy: 0.70662078265878
Energy: 0.6786268924780324
Energy: 0.7038374105857162
Energy: 0.788136568180808
Energy: 0.6811595496911028
Energy: 0.6808401522433403
Energy: 0.7807699639814579
Energy: 0.6803310110494687
Energy: 0.7615213292578085
Energy: 0.6929004474015049
Energy: 0.6997095369246515
Energy: 0.701425897036069
Energy: 0.6947396496564016
Energy: 0.6819048699596821
Energy: 0.7030767367661349
Energy: 0.7896902791902345
Energy: 0.6815366577833996
Energy: 0.6563441488115204
Energy: 0.6495308713167737
Energy: 0.681603728007164
Energy: 0.6575039888448345

minimum gb energy = 0.6261764598838291 eV
minimum distance =  2.35051528879758 Angstroms
sigma value = 43


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

Energy: 1.2596202601806628
Energy: 0.7858766032611382
Energy: 0.7221911877018364
Energy: 0.6695159915390382
Energy: 0.7249911112049029
Energy: 0.6690498627558571
Energy: 0.6386243104609096
Energy: 0.6599169439989164
Energy: 0.668334285889361
Energy: 0.7163259493274562
Energy: 0.6532703077404273
Energy: 0.6614973109604603
Energy: 0.6530746314625547
Energy: 0.6431337861972761
Energy: 0.6399689611058025
Energy: 0.6544834957371685
Energy: 0.6428792950064238
Energy: 0.6491218328168423
Energy: 0.6476003364541635
Energy: 0.6419490180422852
Energy: 0.654808926225233
Energy: 0.6477284846635947
Energy: 0.6433946627174477
Energy: 0.6497653983358944
Energy: 0.6517678470990421
Energy: 0.6575072274775844
Energy: 0.6526096200030889
Energy: 0.6518181517120579
Energy: 0.6564360630038154
Energy: 0.6527674171553596
Energy: 0.6535303416690958
Energy: 0.6566921383462122
Energy: 0.6538738252129774
Energy: 0.6579933308769038
Energy: 0.6576805176541302
Energy: 0.6551223944796403
Energy: 0.6497777333606805
Energy: 0.6475100862610002
Energy: 0.647247017099205
Energy: 0.6574571521213042
Energy: 0.647517306813979
Energy: 0.6594409699613529
Energy: 0.725069213178477
Energy: 0.6533431026662032
Energy: 0.6537941826658272
Energy: 0.6889433853077293
Energy: 0.6559856275918294
Energy: 0.6485996018489972
Energy: 0.6522881043306114
Energy: 0.6490137674787743
Energy: 0.6495031518083016
Energy: 0.6518304730824752
Energy: 0.714742441556936
Energy: 0.6546178877796953
Energy: 0.7808259105430586
Energy: 0.6627507844882321
Energy: 0.6624102670534762
Energy: 0.7169315130821646
Energy: 0.656487378215049
Energy: 0.6842817957090028
Energy: 0.6847440398788682
Energy: 0.689646016971028
Energy: 0.7010851562929487
Energy: 0.6527267327417506
Energy: 0.6594021144921042
Energy: 0.6503976221769573
Energy: 0.6655159028682291
Energy: 0.6483259460038978
Energy: 0.6487050005964233
Energy: 0.6539709532464845
Energy: 0.648204583113498
Energy: 0.6490711080872094
Energy: 0.7505084534116312
Energy: 0.6549505141686082
Energy: 0.6637269490003912
Energy: 0.6463568414762395
Energy: 0.6756987735020048
Energy: 0.6637095790922299
Energy: 0.6831297605058114
Energy: 0.6570860975654088
Energy: 0.6507520462323007
Energy: 0.6550356125433912
Energy: 0.6498189694670822
Energy: 0.6612576603313904
Energy: 0.684165409193062
Energy: 0.6771255211543784
Energy: 0.6690388470461199
Energy: 0.6912662292627266
Energy: 0.6484009005227767
Energy: 0.6695218966847631
Energy: 0.680615201998845
Energy: 0.6586326650264525
Energy: 0.6884040299398249
Energy: 0.6807805322760021
Energy: 0.6558186322446297
Energy: 0.6613443209473017
Energy: 0.6496217407702205
Energy: 0.6918233450273391
Energy: 0.6924614253572207
Energy: 0.6498903099156077
Energy: 0.6723616863128113
Energy: 0.6959109393090482
Energy: 0.6773592452071775
Energy: 0.6982410004768836
Energy: 0.6939224092186388
Energy: 0.685722343465086
Energy: 0.6853604055899252
Energy: 0.6943006331255319
Energy: 0.6596776539885455
Energy: 0.6795890252298815
Energy: 0.6810775976418348
Energy: 0.6649083020433599
Energy: 0.6780601233264909
Energy: 0.658945016131573
Energy: 0.6600479974917948
Energy: 0.6801814819546803
Energy: 0.689521765075662
Energy: 0.6722030335390701
Energy: 0.680239537876389
Energy: 0.658921868393977
Energy: 0.6776261423991079
Energy: 0.6856710447411652
Energy: 0.6925302969426826
Energy: 0.677278268778048
Energy: 0.6706566268645296
Energy: 0.6922838803183101
Energy: 0.7220386898981038
Energy: 0.666497134036182
Energy: 0.6665478390008867
Energy: 0.722740083153985
Energy: 0.6585464254501896
Energy: 0.759396021227252
Energy: 0.6760692434732833
Energy: 0.7091871442998525
Energy: 0.692662423871705
Energy: 0.6851327642000079
Energy: 0.6755964171881707
Energy: 0.6918594100423356
Energy: 0.71179038453822
Energy: 0.6906993508227586
Energy: 0.6894636181760976
Energy: 0.6869578644792494
Energy: 0.6501279400849975
Energy: 0.6929441403328563
Energy: 0.6740448552694986
Energy: 0.6796178718985603
Energy: 0.6812976977056303
Energy: 0.6861308910292157
Energy: 0.6802341095807175
Energy: 0.6898312072121545
Energy: 0.7193244270993259
Energy: 0.6800418460977075
Energy: 0.6858423275546317
Energy: 0.6769289233983398
Energy: 0.6825004287131603
Energy: 0.6676847151305988
Energy: 0.7193157365711834
Energy: 0.6833834508260405
Energy: 0.687044992596054
Energy: 0.6495343209823279
Energy: 0.6863048108293467
Energy: 0.6686992062038658
Energy: 0.6783237525344255
Energy: 0.6542540687116495
Energy: 0.6550056701588871
Energy: 0.6481895305443333
Energy: 0.6531737923172573
Energy: 0.6554072371144549
Energy: 0.6496718529671491
Energy: 0.6522704408888667
Energy: 0.6580495475353859
Energy: 0.649623319918021
Energy: 0.6896142815553282
Energy: 0.6579206554816992
Energy: 0.6467642225631264
Energy: 0.6548393744335358
Energy: 0.6547631556213085
Energy: 0.7149165970618218
Energy: 0.6551921780912429
Energy: 0.6564195191401025
Energy: 0.6656890827555685
Energy: 0.701948140808161
Energy: 0.6601493428439239
Energy: 0.6702285705110292
Energy: 0.7240069946219589
Energy: 0.6778076444951198

minimum gb energy = 0.6386243104609096 eV
minimum distance =  2.35436576013941 Angstroms
sigma value = 57


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

Energy: 0.8345253550970184
Energy: 0.6746382368683391
Energy: 0.6748984082027603
Energy: 0.6651713770094192
Energy: 0.7362323296266435
Energy: 0.6739370365273901
Energy: 0.6201315648943458
Energy: 0.6933141068357611
Energy: 0.6569526759406603
Energy: 0.7023933228454906
Energy: 0.7007222734338042
Energy: 0.6588760472087309
Energy: 0.649267754932839
Energy: 0.6210200219246605
Energy: 0.6220046235540317
Energy: 0.6742671251843237
Energy: 0.6205441263938559
Energy: 0.6293966382851647
Energy: 0.6860159444246287
Energy: 0.6202334281184838
Energy: 0.6225389098016372
Energy: 0.6863242722423551
Energy: 0.6196912505740393
Energy: 0.6688545596805033
Energy: 0.6421297747666417
Energy: 0.6394546172909816
Energy: 0.6402139384722163
Energy: 0.6402362105037985
Energy: 0.6453285081968835
Energy: 0.6446292589518787
Energy: 0.6316986013995352
Energy: 0.6421146637030063
Energy: 0.6485701633972364
Energy: 0.6443256562309959
Energy: 0.6495311195830508
Energy: 0.6425864302377461
Energy: 0.644195558765394
Energy: 0.6879193425405389
Energy: 0.6691246932240376
Energy: 0.6710339061596268
Energy: 0.6877427867380863
Energy: 0.6666914395044566
Energy: 0.6901492496356618
Energy: 0.661294329987507
Energy: 0.6459149782020912
Energy: 0.6616047118723306
Energy: 0.6720089670448052
Energy: 0.6438032650588787
Energy: 0.6387143856036188
Energy: 0.6831295774335187
Energy: 0.6790077900694628
Energy: 0.7002567722609104
Energy: 0.691045607174583
Energy: 0.6604424500722847
Energy: 0.7366643235796475
Energy: 0.6921772448195235
Energy: 0.6774108171462201
Energy: 0.723515509083931
Energy: 0.6531497010857878
Energy: 0.6773388492802557
Energy: 0.6420901259112
Energy: 0.6604477294544338
Energy: 0.6600105855424824
Energy: 0.6399162203282833
Energy: 0.6739601563935909
Energy: 0.6490170229340638
Energy: 0.6196905177600018
Energy: 0.6768797432338056
Energy: 0.6894056246569537
Energy: 0.6269229951344142
Energy: 0.7034922524544813
Energy: 0.6659929192203902
Energy: 0.63317695492817
Energy: 0.6752621717317427
Energy: 0.6572671906105416
Energy: 0.6531011508719411
Energy: 0.6865052503542144
Energy: 0.6570745078812752
Energy: 0.6387654731596086
Energy: 0.6581420651590373
Energy: 0.658332072307531
Energy: 0.7008671031765232
Energy: 0.7024044408036805
Energy: 0.6606201512335629
Energy: 0.6429393234438706
Energy: 0.6326812194122715
Energy: 0.6554459600938987
Energy: 0.6408014968086604
Energy: 0.6276137204455499
Energy: 0.6548425116506578
Energy: 0.6872347363337492
Energy: 0.665376432974862
Energy: 0.6662434905821408
Energy: 0.6873361834585672
Energy: 0.6550063949869457
Energy: 0.6657523390863838
Energy: 0.6901940840746075
Energy: 0.6452864923959789
Energy: 0.6440489338551744
Energy: 0.6552029852737702
Energy: 0.6454085757742339
Energy: 0.6493815264269855
Energy: 0.6901620834692774
Energy: 0.6491428018005552
Energy: 0.6475464023083431
Energy: 0.6482457659021521
Energy: 0.6401403067780354
Energy: 0.6458566828844972
Energy: 0.706159112348376
Energy: 0.6860866238544232
Energy: 0.6774760002146873
Energy: 0.6543254273524397
Energy: 0.6859699189187163
Energy: 0.6562992072567754
Energy: 0.7066320521984615
Energy: 0.6765818616962812
Energy: 0.6780638599703399
Energy: 0.6545632988413842
Energy: 0.6756300751770502
Energy: 0.6639857881519284
Energy: 0.6391156208013272
Energy: 0.6850436271258981
Energy: 0.6580206299525184
Energy: 0.6399965499065228
Energy: 0.6935670112482906
Energy: 0.6585229032424056
Energy: 0.78804901824397
Energy: 0.6724827151491736
Energy: 0.6498065376072714
Energy: 0.7888756854963733
Energy: 0.6739244178343948
Energy: 0.6501701207765482
Energy: 0.6424777147888674
Energy: 0.6832953873877136
Energy: 0.6568796977673093
Energy: 0.6382877040322258
Energy: 0.7024358092806775
Energy: 0.6607822237697688
Energy: 0.6330851776892351
Energy: 0.6754688685963123
Energy: 0.6565873244602674
Energy: 0.6251791639836465
Energy: 0.6862567264088502
Energy: 0.6573552884053987

minimum gb energy = 0.6196905177600018 eV
minimum distance =  2.36083319294255 Angstroms
sigma value = 17


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

Energy: 0.6282949665692656
Energy: 0.7430203490962904
Energy: 0.8031043919779105
Energy: 0.6583189275363583
Energy: 0.6746601715286533
Energy: 0.6373226735710927
Energy: 0.6577032254192536
Energy: 0.716699255739278
Energy: 0.6399454751117604
Energy: 0.729850738748847
Energy: 0.718954238507236
Energy: 0.6415595679495243
Energy: 0.698542693673729
Energy: 0.6100472933719749
Energy: 0.6100865600077238
Energy: 0.6995849318742458
Energy: 0.611139426770226
Energy: 0.6230360631050768
Energy: 0.708573973225339
Energy: 0.6101997246869969
Energy: 0.6359134564348399
Energy: 0.7085952491532747
Energy: 0.633238714884094
Energy: 0.6596638638289161
Energy: 0.6484668650683343
Energy: 0.5988251680956874
Energy: 0.5984555286853506
Energy: 0.6493094177620938
Energy: 0.6115507571054609
Energy: 0.5916152583886252
Energy: 0.6367468012277241
Energy: 0.615083536638962
Energy: 0.6026828528858522
Energy: 0.588517902411523
Energy: 0.644367076754608
Energy: 0.5876136579192918
Energy: 0.6484755932264895
Energy: 0.6400198497218517
Energy: 0.6410031243459817
Energy: 0.62826710265175
Energy: 0.6436250378318964
Energy: 0.6107613402236378
Energy: 0.6130513163695028
Energy: 0.5833808657108512
Energy: 0.5821111690293944
Energy: 0.5816649506669829
Energy: 0.5833845695915304
Energy: 0.578879491610306
Energy: 0.6418845912925438
Energy: 0.5815683220220357
Energy: 0.5819482121627286
Energy: 0.6432859817612071
Energy: 0.5787107983831749
Energy: 0.6117747942101672
Energy: 0.644312641703089
Energy: 0.6020995564396101
Energy: 0.6023892773352597
Energy: 0.6442436246719432
Energy: 0.5964960383555812
Energy: 0.6025546822952615
Energy: 0.5916917011333862
Energy: 0.5916031268951388
Energy: 0.5913712010792869
Energy: 0.6259521630913956
Energy: 0.7303992420010781
Energy: 0.6052410935447841
Energy: 0.6496935045917881
Energy: 0.7294833190841545
Energy: 0.7088959815386872
Energy: 0.6165792575319733
Energy: 0.7295078094604597
Energy: 0.7092558269342895
Energy: 0.6300055738054408
Energy: 0.6909102474518928
Energy: 0.6909918808431298
Energy: 0.6003369858370579
Energy: 0.6911306089122973
Energy: 0.6992811313450938
Energy: 0.728411933374007
Energy: 0.7183538916963563
Energy: 0.6271148855399471
Energy: 0.7213909090185141
Energy: 0.7223125891297896
Energy: 0.6355624610200954
Energy: 0.731725265215652
Energy: 0.7006402857588204
Energy: 0.7014539076511601
Energy: 0.700830018883839
Energy: 0.7007304117800454
Energy: 0.7043260630186231
Energy: 0.6829516514061073
Energy: 0.7208869028122783
Energy: 0.6394386405856435
Energy: 0.7186456433983457
Energy: 0.7208577031000314
Energy: 0.7170205720831222
Energy: 0.6219539863988172
Energy: 0.6914754894677623
Energy: 0.7440695627986762
Energy: 0.6368307716487087
Energy: 0.7077158640534458
Energy: 0.7443363582773046

minimum gb energy = 0.5787107983831749 eV
minimum distance =  2.33638621145447 Angstroms
sigma value = 17


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

Energy: 1.1799669295074116
Energy: 0.7658036996250935
Energy: 0.6339297507234789
Energy: 0.6045686786707252
Energy: 0.8770536021145185
Energy: 0.6325833615126294
Energy: 0.6472974996777544
Energy: 0.6855685688341083
Energy: 0.5683370883467832
Energy: 0.6765372112873081
Energy: 0.6917356472379689
Energy: 0.6364215968072948
Energy: 0.8523737190572551
Energy: 0.5450027944029995
Energy: 0.5773348792182109
Energy: 0.7191578856375036
Energy: 0.5448629738401246
Energy: 0.5783298831520898
Energy: 0.7156007580171779
Energy: 0.6180712023725389
Energy: 0.5841366995229639
Energy: 0.7165666231756634
Energy: 0.5435767266165807
Energy: 0.6206191448311976
Energy: 0.6279419557509553
Energy: 0.5767218433660168
Energy: 0.5688317502603274
Energy: 0.6286591852262098
Energy: 0.572293955600702
Energy: 0.5602303291973807
Energy: 0.6209461246730741
Energy: 0.5688413600469016
Energy: 0.539767894499292
Energy: 0.5415647074859059
Energy: 0.6186126932093172
Energy: 0.540241958326561
Energy: 0.5807077618474888
Energy: 0.6184641083110507
Energy: 0.6182437615690457
Energy: 0.5368461428355038
Energy: 0.622157092291141
Energy: 0.5368324810733407
Energy: 0.5820066344661549
Energy: 0.5277337336533333
Energy: 0.5327708282207567
Energy: 0.5366854006661245
Energy: 0.5283141556719742
Energy: 0.5324063613613541
Energy: 0.5812623675483842
Energy: 0.5363461675539626
Energy: 0.5390689870976355
Energy: 0.5824193365292545
Energy: 0.5623328084870802
Energy: 0.5808335672777895
Energy: 0.5806572206520639
Energy: 0.5349466027309762
Energy: 0.5354472785139844
Energy: 0.5807984587371192
Energy: 0.5346611330058916
Energy: 0.5353615683852047
Energy: 0.5960838260459845
Energy: 0.5319671604518611
Energy: 0.5336275139977903
Energy: 0.5332100619123172
Energy: 0.5806467593237614
Energy: 0.5340529307705623
Energy: 0.5836893516636446
Energy: 0.5811805288344923
Energy: 0.5809170801605444
Energy: 0.5850112171428978
Energy: 0.585027769614911
Energy: 0.540971993925452
Energy: 0.5973834673716782
Energy: 0.5322659094504932
Energy: 0.5323377561224553
Energy: 0.5342512777564885
Energy: 0.5490146438225232
Energy: 0.5329082660403274
Energy: 0.6193454850008666
Energy: 0.5374482294941324
Energy: 0.5368057421690803
Energy: 0.6198271168682846
Energy: 0.5405447062521666
Energy: 0.6185522108991985
Energy: 0.6187908308249443
Energy: 0.5506508134618509
Energy: 0.5427100411880521
Energy: 0.6187501466822273
Energy: 0.5360755852305509
Energy: 0.565137961128478
Energy: 0.7176606419777553
Energy: 0.6003139434413597
Energy: 0.560104592863249
Energy: 0.5999125087469058
Energy: 0.6133541070064984
Energy: 0.5673843765408596
Energy: 0.5816465339707245
Energy: 0.7135737595726351
Energy: 0.7137630669117223
Energy: 0.5639149222215268
Energy: 0.7192738661250468
Energy: 0.5608201808654207
Energy: 0.582064061943142
Energy: 0.6868931293981124
Energy: 0.6556604389354371
Energy: 0.6135336060710337
Energy: 0.689171250883948
Energy: 0.5614545848633605
Energy: 0.792636953043155
Energy: 0.6494970529988292
Energy: 0.6364081364578731
Energy: 0.7136536358457299
Energy: 0.6122180771980308
Energy: 0.5693426052191125
Energy: 0.8606235647259214
Energy: 0.5962225785570433
Energy: 0.5827644609722945
Energy: 0.6485801596873725
Energy: 0.5812363339746667
Energy: 0.6714205754137715
Energy: 0.8460259329631907
Energy: 0.6456950485135138
Energy: 0.5623364991739034
Energy: 0.7153005361849455
Energy: 0.6487501992581738
Energy: 0.6824000200813131
Energy: 0.5898135586412808
Energy: 0.6910217754559503
Energy: 0.7785549761796124
Energy: 0.5855931961277061
Energy: 0.696503098598312
Energy: 0.5944548319047375
Energy: 0.5919344631972864
Energy: 0.6874564680218669
Energy: 0.6888720936794878
Energy: 0.5727490959621976
Energy: 0.6947370260861571
Energy: 0.6246652742298295
Energy: 0.844763279203569
Energy: 0.5730523657263598
Energy: 0.5630150204286329
Energy: 0.7141094068575685
Energy: 0.5401439758031457
Energy: 0.64072116453752
Energy: 0.7132249564940585
Energy: 0.5463871594258167
Energy: 0.5779405918797906
Energy: 0.7133720901475405
Energy: 0.546646549649124
Energy: 0.5780197211756865
Energy: 0.6293595411132269
Energy: 0.5744723878297835
Energy: 0.5656673350958593
Energy: 0.6152530506667867
Energy: 0.5700523470672214
Energy: 0.6002237396014491
Energy: 0.5711721722905868
Energy: 0.5787129834255019
Energy: 0.5828945356931551
Energy: 0.5419878447392681
Energy: 0.572361881560211
Energy: 0.5410726471896888
Energy: 0.5777128481355388
Energy: 0.618956439373727
Energy: 0.6188262065127407
Energy: 0.5720942994394363
Energy: 0.6207587618533549
Energy: 0.6186111366766839
Energy: 0.5813311429086009
Energy: 0.5354971928466254
Energy: 0.5388181799986426
Energy: 0.5385842422799879
Energy: 0.6194781075331224
Energy: 0.53939791562446
Energy: 0.58030439460234
Energy: 0.5276905052431375
Energy: 0.5341002271710651
Energy: 0.5805287448453565
Energy: 0.5308090982988869
Energy: 0.5328023368989524
Energy: 0.5854270570010113
Energy: 0.5303375695635455
Energy: 0.5316022297903733
Energy: 0.5864654867073585
Energy: 0.5298265622753288
Energy: 0.5322337140398362
Energy: 0.5893701425126556
Energy: 0.5305045126402783
Energy: 0.5308161538985704
Energy: 0.5496853190874919
Energy: 0.53176096245552
Energy: 0.5311247475260379
Energy: 0.5895592934623594
Energy: 0.586015261028694
Energy: 0.5809827160632037
Energy: 0.5900270627215863
Energy: 0.5819103639370392
Energy: 0.5809676596429404
Energy: 0.5970988397653046
Energy: 0.5429630753977956
Energy: 0.537402858707251
Energy: 0.5354299997016574
Energy: 0.5405167959110915
Energy: 0.5377571812480316
Energy: 0.6261936452429087
Energy: 0.5371758516198628
Energy: 0.5377205443075284
Energy: 0.6266346446407673
Energy: 0.5353062095154022
Energy: 0.536925181440155
Energy: 0.6262555233737912
Energy: 0.53701533664251
Energy: 0.5588208296976436
Energy: 0.6267458827201129
Energy: 0.5374809454268874
Energy: 0.6017474449857197
Energy: 0.7978570227101317
Energy: 0.5611824242861075
Energy: 0.5603965561155959
Energy: 0.601610619955636
Energy: 0.6125503244842299
Energy: 0.5583897759146366
Energy: 0.5869810796280096
Energy: 0.7178452094816254
Energy: 0.6936921402657776
Energy: 0.5860260418387145
Energy: 0.7149755569785528
Energy: 0.6006475719729715
Energy: 0.5808533542534766
Energy: 0.6615124421443194
Energy: 0.5856158053987873
Energy: 0.5621273226946336
Energy: 0.667190283935821
Energy: 0.5833033492239589
Energy: 0.6189490242997421
Energy: 0.6743207717665185
Energy: 0.6488400652672499
Energy: 0.6297623415606708
Energy: 0.7222502189921908
Energy: 0.5955495328617668
Energy: 0.7977273239933138
Energy: 0.5727333814393794
Energy: 0.6603367393974192
Energy: 0.6960918148746459
Energy: 0.5652179637409117
Energy: 0.6659233253350771
Energy: 0.8529445697494291
Energy: 0.628321176386909
Energy: 0.5609661713978453
Energy: 0.7143217647174547
Energy: 0.5889629466663611
Energy: 0.6408965722631562
Energy: 0.5932389066087896
Energy: 0.6870833593933215
Energy: 0.6613973186634508
Energy: 0.5729899056837828
Energy: 0.69397202032339
Energy: 0.6305208734200686

minimum gb energy = 0.5276905052431375 eV
minimum distance =  2.37198746477707 Angstroms
sigma value = 57


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

Energy: 0.5391529519588285
Energy: 0.6948084921670543
Energy: 0.5907950191449923
Energy: 0.5154724084968514
Energy: 0.8797562824765273
Energy: 0.596625575718424
Energy: 0.7086214886972072
Energy: 0.5318103355346744
Energy: 0.5337711707676109
Energy: 0.6546174286540021
Energy: 0.6541917347404994
Energy: 0.6062544282298978
Energy: 0.8034939255061615
Energy: 0.5107439418429182
Energy: 0.5101088840768022
Energy: 0.6916938837438243
Energy: 0.5098823700971667
Energy: 0.5429401809120976
Energy: 0.6873708630061965
Energy: 0.5099694766004848
Energy: 0.5364018982758877
Energy: 0.6880808460164136
Energy: 0.5175706052240705
Energy: 0.5964868815649847
Energy: 0.5927285479424823
Energy: 0.5402070303817341
Energy: 0.534067718335219
Energy: 0.5931946856484452
Energy: 0.5387256129791529
Energy: 0.5345344457699231
Energy: 0.5276638685360797
Energy: 0.5256953045116207
Energy: 0.507622996428486
Energy: 0.4948132183004743
Energy: 0.5983085927752865
Energy: 0.5085008321109368
Energy: 0.5527066925997118
Energy: 0.604755406430762
Energy: 0.5986617953279114
Energy: 0.5021475028458977
Energy: 0.6034088454967806
Energy: 0.500481773710904
Energy: 0.7255874822711039
Energy: 0.4905097791202109
Energy: 0.49006121126210483
Energy: 0.5014520052624619
Energy: 0.49039429197916884
Energy: 0.4984319481970153
Energy: 0.5550150568396677
Energy: 0.5367402402971475
Energy: 0.5075709461033051
Energy: 0.5566628508290453
Energy: 0.5585989807927638
Energy: 0.5529705025374413
Energy: 0.5523819084826759
Energy: 0.4887132012559917
Energy: 0.4886681737981963
Energy: 0.5523992566796858
Energy: 0.4888366143698556
Energy: 0.48916488680671266
Energy: 0.5373568905921887
Energy: 0.5326620503245523
Energy: 0.48608327160429365
Energy: 0.4853585952045496
Energy: 0.5437840384155584
Energy: 0.48635157208222657
Energy: 0.5565734361559205
Energy: 0.5394466011510446
Energy: 0.5446591342954228
Energy: 0.5193055750171542
Energy: 0.5365397288164953
Energy: 0.49099650936733985
Energy: 0.5322870071947177
Energy: 0.5588159074934278
Energy: 0.49558093902167083
Energy: 0.4931008297614045
Energy: 0.49879954671468213
Energy: 0.4949524256644859
Energy: 0.5332974526607589
Energy: 0.48924979172794264
Energy: 0.5142276726903615
Energy: 0.534454608309925
Energy: 0.5259549036177157
Energy: 0.5325021557908389
Energy: 0.5320833607142663
Energy: 0.4867017174646795
Energy: 0.4861677986556357
Energy: 0.5322704114848988
Energy: 0.49058869256321463
Energy: 0.4856627914166026
Energy: 0.5656873817519552
Energy: 0.5527504777315067
Energy: 0.49308289937232697
Energy: 0.4942788188297773
Energy: 0.5624413752744505
Energy: 0.4935796631146494
Energy: 0.534044890959956
Energy: 0.5624279942448571
Energy: 0.5535146405172022
Energy: 0.4940562985338184
Energy: 0.558743419383182
Energy: 0.4984040837457288
Energy: 0.5350696595069669
Energy: 0.5072882248580353
Energy: 0.49938538760076545
Energy: 0.5363422091768041
Energy: 0.49987735732010674
Energy: 0.49945783816142525
Energy: 0.5989230834385472
Energy: 0.5024681570149128
Energy: 0.5504180224861704
Energy: 0.6002977130722069
Energy: 0.5090406678665724
Energy: 0.598514915824163
Energy: 0.6790494683855741
Energy: 0.5171437965340743
Energy: 0.5170953685526307
Energy: 0.5372761680315964
Energy: 0.5137850955536223
Energy: 0.5319583333996993
Energy: 0.7555846029154557
Energy: 0.57319930433621
Energy: 0.530966691294538
Energy: 0.5750712116036999
Energy: 0.5727893911077945
Energy: 0.5318167198459121
Energy: 0.5329605434844102
Energy: 0.6952897873388404
Energy: 0.5265038019852887
Energy: 0.5018234993087726
Energy: 0.6942751257478487
Energy: 0.5325373599228638
Energy: 0.5565010833037825
Energy: 0.6228056904414139
Energy: 0.6056655255386802
Energy: 0.5354303601200915
Energy: 0.6199688348473473
Energy: 0.592938338829837
Energy: 0.7497867329616212
Energy: 0.5751084011312326
Energy: 0.5276389075756538
Energy: 0.576627399600355
Energy: 0.5860838531358064
Energy: 0.5352602889671347
Energy: 0.8084290352216887
Energy: 0.5289801786784761
Energy: 0.5342130806933153
Energy: 0.6178393001302072
Energy: 0.5290738059495051
Energy: 0.6172553808312191
Energy: 0.7982258542127892
Energy: 0.5961829587756191
Energy: 0.5988823633980391
Energy: 0.6509135591558194
Energy: 0.6149158020648094
Energy: 0.5611466652842649
Energy: 0.5373395528210522
Energy: 0.6184329516199085
Energy: 0.5626551511278975
Energy: 0.5136492400483197
Energy: 0.6145274941980013
Energy: 0.5492403138809677

minimum gb energy = 0.4853585952045496 eV
minimum distance =  2.36942096266044 Angstroms
sigma value = 43


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

Energy: 0.45983123254424774
Energy: 0.5188230652942238
Energy: 0.5169174705155977
Energy: 0.44158533117279813
Energy: 0.5999460700806891
Energy: 0.49800779625778396
Energy: 0.655946275411646
Energy: 0.4452851401164521
Energy: 0.43715675341026267
Energy: 0.4971990488324253
Energy: 0.441588261613402
Energy: 0.4385389463884793
Energy: 0.6860109146938244
Energy: 0.4257004850613012
Energy: 0.43748602938824815
Energy: 0.4915303301343638
Energy: 0.424896466187374
Energy: 0.4378035248999714
Energy: 0.5971561444967447
Energy: 0.4378311013863824
Energy: 0.4378761553314477
Energy: 0.49838394856942314
Energy: 0.45329387182277064
Energy: 0.4688048352939767
Energy: 0.5302766224892508
Energy: 0.4442787251963247
Energy: 0.4369178854458026
Energy: 0.48767690625902166
Energy: 0.44542522710746485
Energy: 0.4376012005229634
Energy: 0.44539727702750165
Energy: 0.4425823318789046
Energy: 0.4270220937838858
Energy: 0.41142543846635166
Energy: 0.5287244866273139
Energy: 0.44917692603137055
Energy: 0.6272716659762504
Energy: 0.5291131651339827
Energy: 0.5290394582009033
Energy: 0.42043093196799475
Energy: 0.5289912244590346
Energy: 0.41712842466739253
Energy: 0.6260302452375485
Energy: 0.4080171422401326
Energy: 0.4108876587452307
Energy: 0.4147840878632827
Energy: 0.40778827912991517
Energy: 0.41017724751114365
Energy: 0.49079185463439
Energy: 0.41219153550429233
Energy: 0.4161396756072437
Energy: 0.4921517463555872
Energy: 0.4333492595310096
Energy: 0.4886815556236278
Energy: 0.4757801170861834
Energy: 0.4081889645854591
Energy: 0.40771339934041656
Energy: 0.4891268681495206
Energy: 0.40739863103273666
Energy: 0.4069880238610418
Energy: 0.4415667645953821
Energy: 0.4641706132513765
Energy: 0.40305975411517103
Energy: 0.39987116183284127
Energy: 0.46446147169681434
Energy: 0.40061413691172193
Energy: 0.49340619179365075
Energy: 0.46421243164408205
Energy: 0.4640170640738454
Energy: 0.40460210114342965
Energy: 0.4644720050029426
Energy: 0.40379014041349576
Energy: 0.6017490017289516
Energy: 0.4504477917284251
Energy: 0.4557143217957976
Energy: 0.45480245747900055
Energy: 0.4255048399710227
Energy: 0.455452358541008
Energy: 0.4497069110860882
Energy: 0.4004307151243503
Energy: 0.45433643517547023
Energy: 0.45117449796662773
Energy: 0.4432810476392368
Energy: 0.44977422420562974
Energy: 0.4497498372608866
Energy: 0.39956466459819256
Energy: 0.3999700179713538
Energy: 0.44983664403851525
Energy: 0.39875594979528717
Energy: 0.39933241809481856
Energy: 0.44444763130870274
Energy: 0.443289630326574
Energy: 0.39540507636420846
Energy: 0.39619302366402015
Energy: 0.44312799586380286
Energy: 0.39536637592548896
Energy: 0.45288415376460833
Energy: 0.44318579080096204
Energy: 0.4437406303180666
Energy: 0.39954400031434784
Energy: 0.443209892910989
Energy: 0.39871662347933684
Energy: 0.44348118760479144
Energy: 0.40246711401356644
Energy: 0.3988810606291645
Energy: 0.44363405305392356
Energy: 0.44636275460244645
Energy: 0.39853627286773696
Energy: 0.4436427102713635
Energy: 0.43381922768041825
Energy: 0.4433123201724672
Energy: 0.4440393740054057
Energy: 0.525887342183784
Energy: 0.4433377146590723
Energy: 0.4433385610825807
Energy: 0.40682068184239767
Energy: 0.40482414687676677
Energy: 0.44347220030768714
Energy: 0.4462721204543165
Energy: 0.4053364551440519
Energy: 0.46705371966523496
Energy: 0.44983859355231437
Energy: 0.45029954455725196
Energy: 0.4080444521005596
Energy: 0.4499469681144495
Energy: 0.40435077664458985
Energy: 0.44453710972207416
Energy: 0.45002359844600487
Energy: 0.39691268167630145
Energy: 0.39926365127890395
Energy: 0.44997919291170807
Energy: 0.3972462105010665
Energy: 0.4641923086871533
Energy: 0.39829217225896435
Energy: 0.4015630588580931
Energy: 0.46420935397136315
Energy: 0.39843760102919634
Energy: 0.40136365180768613
Energy: 0.46429229535269845
Energy: 0.4083395437842729
Energy: 0.46868022509646234
Energy: 0.46581770269375866
Energy: 0.42818385490610117
Energy: 0.4642111963910821
Energy: 0.6115374009021077
Energy: 0.432185064493151
Energy: 0.4353087603567607
Energy: 0.46873475830670697
Energy: 0.4311244653803215
Energy: 0.4366695496322343
Energy: 0.5632856395876831
Energy: 0.4889514743899169
Energy: 0.48866142911070526
Energy: 0.40615602567602604
Energy: 0.4891727053967698
Energy: 0.40381960253112925
Energy: 0.44378392597007865
Energy: 0.48869396714140373
Energy: 0.41559538843877925
Energy: 0.40824648622795073
Energy: 0.48851598855037964
Energy: 0.4090007903917826
Energy: 0.48856698603528737
Energy: 0.4161028234872253
Energy: 0.4163846997258412
Energy: 0.48268435118543557
Energy: 0.41576604310730564
Energy: 0.41661244293960953
Energy: 0.5313869699163548
Energy: 0.42340711231490374
Energy: 0.44306726821055425
Energy: 0.5327639160389127
Energy: 0.4096730848738245
Energy: 0.4886070564653179
Energy: 0.6466677961689924
Energy: 0.41686418111284995
Energy: 0.4235870574717949
Energy: 0.4401203377783152
Energy: 0.4165883617845856
Energy: 0.4229258335553294
Energy: 0.6457997305219351
Energy: 0.49353559055349916
Energy: 0.49146898311350484
Energy: 0.448770544809736
Energy: 0.4934966856808222
Energy: 0.4429988724313109
Energy: 0.4517896908756489
Energy: 0.5033671374554265
Energy: 0.45484557323015296
Energy: 0.42371671129787936
Energy: 0.5515142247145244
Energy: 0.4483192718447701
Energy: 0.5933146104395767
Energy: 0.4996130019122514
Energy: 0.4793281221437726
Energy: 0.5005764675878
Energy: 0.4990640229257221
Energy: 0.4807091976535963
Energy: 0.6468970407516492
Energy: 0.4599692867313326
Energy: 0.45752975876257296
Energy: 0.49538529619966193
Energy: 0.5004507987130754
Energy: 0.5022337179360197
Energy: 0.6869560399396795
Energy: 0.44085831310719753
Energy: 0.45785552360145876
Energy: 0.5329140216335332
Energy: 0.43979034390433874
Energy: 0.5034163548266142
Energy: 0.6559462747403086
Energy: 0.49916555085712816
Energy: 0.4797463162295579
Energy: 0.4974220572122856
Energy: 0.4976436148699439
Energy: 0.43160646218690096

minimum gb energy = 0.39536637592548896 eV
minimum distance =  2.37855017606955 Angstroms
sigma value = 81


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

Energy: 0.23007476935906007
Energy: 0.26174961439940414
Energy: 0.015780374632529594
Energy: 0.01727631590482934
Energy: 0.3905947950964604
Energy: 0.23042573632018018
Energy: 0.26170811885115414
Energy: 0.42038214245586814
Energy: 0.42122176937701694
Energy: 0.468563810954585
Energy: 0.42283004732512397
Energy: 0.4197668160855175
Energy: 0.4472696196818025
Energy: 0.015734000301444156
Energy: 0.015865967809411758
Energy: 0.46741417189590156
Energy: 0.01568562949547384
Energy: 0.048572880562642924
Energy: 0.44589077758701773
Energy: 0.01585121835056483
Energy: 0.015879498309113026
Energy: 0.4497463960056903
Energy: 0.015729564135153116
Energy: 0.047185522076388105
Energy: 0.04684878828305381
Energy: 0.4773189397634616
Energy: 0.4766379939938957
Energy: 0.04769710780300894
Energy: 0.4770327425545099
Energy: 0.47749428544230416
Energy: 0.01646418140769011
Energy: 0.44732155347157154
Energy: 0.01580294396946256
Energy: 0.017680477526264227
Energy: 0.44697328483246324
Energy: 0.01582263979925674
Energy: 0.4741932809119379
Energy: 0.41977549346655524
Energy: 0.41928417429164516
Energy: 0.4786227022411532
Energy: 0.4467484413168443
Energy: 0.44727791113528
Energy: 0.4725983998753469
Energy: 0.01576932964650284
Energy: 0.015789125761730607
Energy: 0.4792252557030475
Energy: 0.015611030838548865
Energy: 0.01588459278359375
Energy: 0.4196214798937453
Energy: 0.015928078621515563
Energy: 0.04893110863897101
Energy: 0.43940856413418045
Energy: 0.01573957353898933
Energy: 0.04845796881619762
Energy: 0.230846332096595
Energy: 0.4521454973347416
Energy: 0.4501336130788997
Energy: 0.01628776101804112
Energy: 0.45034194810573575
Energy: 0.4503093803539161

minimum gb energy = 0.015611030838548865 eV
minimum distance =  2.46260793031298 Angstroms
sigma value = 3


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

Energy: 0.5156236152479162
Energy: 0.5265496478628082
Energy: 0.5036210323890437
Energy: 0.47553680543052035
Energy: 0.5000963781902638
Energy: 0.4799355563838123
Energy: 0.5237574026972733
Energy: 0.5078413825359107
Energy: 0.5094533052904321
Energy: 0.5083311858505921
Energy: 0.5117529807683479
Energy: 0.5107365945265162
Energy: 0.5295213813534616
Energy: 0.4862050460164469
Energy: 0.48611247537430946
Energy: 0.5092364875158065
Energy: 0.4872161066670338
Energy: 0.49881845074505254
Energy: 0.49723482348898734
Energy: 0.4871891513725777
Energy: 0.48676671153832296
Energy: 0.4973082148697767
Energy: 0.44430451632196294
Energy: 0.4970403870689209
Energy: 0.45498994585096986
Energy: 0.511790553492368
Energy: 0.5108048522385334
Energy: 0.45535350880338177
Energy: 0.5099086176545081
Energy: 0.5112172490246195
Energy: 0.4858743343948732
Energy: 0.508837359561646
Energy: 0.4992846852173575
Energy: 0.4200746819415524
Energy: 0.5086294148405583
Energy: 0.474893650439874
Energy: 0.4985977777773849
Energy: 0.46747247837614336
Energy: 0.511546599436048
Energy: 0.49526737690495876
Energy: 0.47069751527178416
Energy: 0.5106253785165769
Energy: 0.49686472143672955
Energy: 0.4851149687318534
Energy: 0.4858445037428698
Energy: 0.4968356524186577
Energy: 0.4631521618444331
Energy: 0.46828845285712095
Energy: 0.5440341190065436
Energy: 0.4865906273557092
Energy: 0.5034613365535878
Energy: 0.5091901855303773
Energy: 0.42848530849776967
Energy: 0.5042959925872054
Energy: 0.4710350324488857
Energy: 0.4645763836278708
Energy: 0.4637925856317941
Energy: 0.4710556587952538
Energy: 0.46930532410508063
Energy: 0.47693974629685726
Energy: 0.48948668112689914
Energy: 0.49340713733480507
Energy: 0.4947828297726449
Energy: 0.41511399699509727
Energy: 0.49770920883190267
Energy: 0.4722647342245687
Energy: 0.4355692648220292
Energy: 0.4992809333398648
Energy: 0.5006125035567315
Energy: 0.4353024325295568
Energy: 0.4992649375944395
Energy: 0.43448564111309884
Energy: 0.436462023067032
Energy: 0.46247300767578764
Energy: 0.47884817840324717
Energy: 0.43658424327864015
Energy: 0.4010863243405786
Energy: 0.45767693510045293
Energy: 0.4920066744912977
Energy: 0.44634307600400736
Energy: 0.47902167020050085
Energy: 0.43938615048109764
Energy: 0.4482483946489964
Energy: 0.4810239424180735
Energy: 0.4875688545567892
Energy: 0.4151647200773854
Energy: 0.4147749495922274
Energy: 0.485230000056302
Energy: 0.4196427245197122
Energy: 0.41438129791927936
Energy: 0.484558621156992
Energy: 0.4706239012509104
Energy: 0.47019644957442086
Energy: 0.4674904463561328
Energy: 0.4822841990126826
Energy: 0.47046431719936604
Energy: 0.40410762998582633
Energy: 0.4702643918472615
Energy: 0.4690592045789455
Energy: 0.4041258092196436
Energy: 0.4718931806095567
Energy: 0.40385898278048843
Energy: 0.40461712547844647
Energy: 0.46465810920554734
Energy: 0.46541658564188576
Energy: 0.40472447943419976
Energy: 0.4079617094639723
Energy: 0.46579061385925186
Energy: 0.477759099837293
Energy: 0.4344443709996125
Energy: 0.4637182341796504
Energy: 0.40832465695517994
Energy: 0.4321151955557454
Energy: 0.464586396142782
Energy: 0.4822213357121038
Energy: 0.40393029777955125
Energy: 0.403882935306484
Energy: 0.48358676530883543
Energy: 0.41085429115712707
Energy: 0.4035996192453337
Energy: 0.48183369304789075
Energy: 0.46685641898958447
Energy: 0.4707447879557454
Energy: 0.48153232267171064
Energy: 0.48548959718181023
Energy: 0.46924797732310436
Energy: 0.4183849409803541
Energy: 0.46702862622107083
Energy: 0.4680244273398714
Energy: 0.4160358592345221
Energy: 0.4685116778771708
Energy: 0.4149014621834076
Energy: 0.4146951704966855
Energy: 0.4811028066910875
Energy: 0.47835430609202195
Energy: 0.4146689353799175
Energy: 0.4374897659609526
Energy: 0.47861373490089515
Energy: 0.4873098433441971
Energy: 0.4360232037101986
Energy: 0.46208967448222954
Energy: 0.447021342955
Energy: 0.43528765710031353
Energy: 0.4689358293345792
Energy: 0.5069817851162227
Energy: 0.4353306596245916
Energy: 0.43487857826113724
Energy: 0.5049332254476379
Energy: 0.441964938925943
Energy: 0.4347059468022231
Energy: 0.501671470675328
Energy: 0.4816188212539189
Energy: 0.4821565075743496
Energy: 0.5024042288520496
Energy: 0.4617181103081002
Energy: 0.49476184000138507
Energy: 0.46747514788362426
Energy: 0.48139295173298885
Energy: 0.4820628677027725
Energy: 0.4671988978825297
Energy: 0.5014336799368914
Energy: 0.4782171646947021
Energy: 0.44383289238440693
Energy: 0.5139275337205915
Energy: 0.5125805635026683
Energy: 0.4438040576593194
Energy: 0.528856080564783
Energy: 0.511444402623184
Energy: 0.49057813251038157
Energy: 0.4975755274721114
Energy: 0.48976624310810346
Energy: 0.41756738715616865
Energy: 0.49767719883113976
Energy: 0.47433508278474046
Energy: 0.46621297846729837
Energy: 0.5019052888188206
Energy: 0.5026846933653292
Energy: 0.46598966000559183
Energy: 0.5041738026878781
Energy: 0.5041348903236298
Energy: 0.498223100322298
Energy: 0.4876830431424783
Energy: 0.488503471294773
Energy: 0.4981345043739272
Energy: 0.44733566524906726
Energy: 0.4887437869121571
Energy: 0.5247608780243365
Energy: 0.49019889830483043
Energy: 0.5162986097063758
Energy: 0.5075960402553317
Energy: 0.4576761963124977
Energy: 0.5114246222259047
Energy: 0.4639736950723903
Energy: 0.49717093625620035
Energy: 0.5021821834300662
Energy: 0.4640460495815734
Energy: 0.5036671636250207
Energy: 0.4846941012894532

minimum gb energy = 0.4010863243405786 eV
minimum distance =  2.34557153002447 Angstroms
sigma value = 67


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

Energy: 0.628775020613633
Energy: 0.6248751798655799
Energy: 0.6215578501380785
Energy: 0.5400766993531769
Energy: 0.6172689466979108
Energy: 0.6218152247876432
Energy: 0.6110777452591922
Energy: 0.6252598593467538
Energy: 0.6242716103805298
Energy: 0.6245663188350167
Energy: 0.6236019431044901
Energy: 0.6191337915297441
Energy: 0.6446676114159549
Energy: 0.6001123381575182
Energy: 0.603372564037314
Energy: 0.6206223135208686
Energy: 0.6005129533627479
Energy: 0.6021632707660797
Energy: 0.6044496973096605
Energy: 0.6130467832478114
Energy: 0.6075397266890522
Energy: 0.6050333569729758
Energy: 0.6076338188827125
Energy: 0.604609575871553
Energy: 0.5949959650631013
Energy: 0.6236652588320541
Energy: 0.6212940941687733
Energy: 0.5950627648950012
Energy: 0.6237403811006219
Energy: 0.6200951964980792
Energy: 0.5958606794514539
Energy: 0.6106435513123887
Energy: 0.6076411325993633
Energy: 0.55810502708959
Energy: 0.6103941603007869
Energy: 0.6069376845393285
Energy: 0.6092239381855944
Energy: 0.6085624824000887
Energy: 0.612926527235791
Energy: 0.6086542191618745
Energy: 0.6070604150261817
Energy: 0.6017458700099805
Energy: 0.604442717690492
Energy: 0.5404440849204667
Energy: 0.6013659008269184
Energy: 0.5988985593541555
Energy: 0.5336865813760914
Energy: 0.6015232927947449
Energy: 0.6160526973669169
Energy: 0.6181651875111837
Energy: 0.6169932576144322
Energy: 0.6175437010675525
Energy: 0.5608779282377708
Energy: 0.6220513046189234
Energy: 0.6164704783864267
Energy: 0.5639332987442252
Energy: 0.5596697660283795
Energy: 0.6170277775724112
Energy: 0.5620632827509601
Energy: 0.5574821493389166
Energy: 0.6091915818943051
Energy: 0.6035222087600128
Energy: 0.6028627288931954
Energy: 0.5358416913982653
Energy: 0.6032824539446272
Energy: 0.6038369881092569
Energy: 0.5406607876249185
Energy: 0.5647839885361365
Energy: 0.6011431632453065
Energy: 0.5411109725487275
Energy: 0.563997773735916
Energy: 0.5349611274895427
Energy: 0.5431693564079317
Energy: 0.542177703960133
Energy: 0.5947789626110589
Energy: 0.5346096200915159
Energy: 0.5370007530522358
Energy: 0.5348156418424048
Energy: 0.6009439665921432
Energy: 0.596939465369174
Energy: 0.5944438869251166
Energy: 0.5355665018173763
Energy: 0.5732191367243834
Energy: 0.5938885698686869
Energy: 0.6031048566727479
Energy: 0.5385067795904387
Energy: 0.5358927240097179
Energy: 0.6039504119783016
Energy: 0.5370903690425034
Energy: 0.5361870138439951
Energy: 0.6039541937510796
Energy: 0.6054460123390685
Energy: 0.6026911474687664
Energy: 0.5637771703236444
Energy: 0.580789319513274
Energy: 0.6004218049000163
Energy: 0.5646869412821796
Energy: 0.53477835038736
Energy: 0.5925496932317702
Energy: 0.5650862353565279
Energy: 0.5288607108474184
Energy: 0.5607567905714936
Energy: 0.559413931872548
Energy: 0.6197284844924489
Energy: 0.6237927043005457
Energy: 0.5592580734435992
Energy: 0.621031079214509
Energy: 0.5603050558032352
Energy: 0.5955164112403047
Energy: 0.6132391664502352
Energy: 0.6061252843130294
Energy: 0.5427395251086794
Energy: 0.613167521840807
Energy: 0.6064382417211619
Energy: 0.6101895998043103
Energy: 0.603826053967832
Energy: 0.6021255609003878
Energy: 0.6097492467919954
Energy: 0.6050401077583634
Energy: 0.6024726672754281
Energy: 0.601967055668761
Energy: 0.6163667339037806
Energy: 0.6159938602479768
Energy: 0.6027946825483874
Energy: 0.6009904463458928
Energy: 0.6300363249069676
Energy: 0.6439464696705379
Energy: 0.5969448067456877
Energy: 0.6156061580267377
Energy: 0.61987672823998
Energy: 0.5974259176747013
Energy: 0.612348271877444
Energy: 0.6110992677267209
Energy: 0.6083901532115988
Energy: 0.6046171830481181
Energy: 0.6113253254430087
Energy: 0.6058180121950287
Energy: 0.6022979498063863

minimum gb energy = 0.5288607108474184 eV
minimum distance =  2.34292689720157 Angstroms
sigma value = 33


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

Energy: 0.7350297639436404
Energy: 0.732678734120906
Energy: 0.7298860416630707
Energy: 0.6438750271132242
Energy: 0.7402846513446634
Energy: 0.7083924250094183
Energy: 0.7016812852063873
Energy: 0.6757899845884705
Energy: 0.6356143448815943
Energy: 0.7238600993793364
Energy: 0.6765194674264013
Energy: 0.6353169086847252
Energy: 0.7446947902725162
Energy: 0.6660110605866912
Energy: 0.6984504051998337
Energy: 0.7128076596034295
Energy: 0.6687530686264508
Energy: 0.6972998290874192
Energy: 0.6766528652909527
Energy: 0.6868010452077897
Energy: 0.6974533574531038
Energy: 0.6762598647107552
Energy: 0.7014048986676593
Energy: 0.6967763359368786
Energy: 0.6770848083109053
Energy: 0.7288933907759304
Energy: 0.6291452844501889
Energy: 0.6772553521635203
Energy: 0.7251142056773004
Energy: 0.6719947470900097
Energy: 0.692745268922006
Energy: 0.7113870248387837
Energy: 0.6792292930482752
Energy: 0.6285043602517812
Energy: 0.7107457549147973
Energy: 0.6743897623146753
Energy: 0.6757454247986145
Energy: 0.628269826084489
Energy: 0.6759884986654744
Energy: 0.6758208932853079
Energy: 0.6751792123524366
Energy: 0.6706640950915095
Energy: 0.6773978766137877
Energy: 0.6263305617061372
Energy: 0.6302185265026415
Energy: 0.6773691797476554
Energy: 0.6309864131365466
Energy: 0.671977864858417
Energy: 0.6924470779212992
Energy: 0.6738531042294212
Energy: 0.7011008484649196
Energy: 0.6751066377028155
Energy: 0.676288163331271
Energy: 0.6973265062753035
Energy: 0.6925587630887969
Energy: 0.6318201220400947
Energy: 0.6280993000009024
Energy: 0.6932331795358744
Energy: 0.6280792100614407
Energy: 0.627832663883283
Energy: 0.6945737519138032
Energy: 0.6285369234234988
Energy: 0.6849876222490822
Energy: 0.629475407393447
Energy: 0.662024473645806
Energy: 0.6830468120914007
Energy: 0.6268253585542249
Energy: 0.6272374149694965
Energy: 0.6277336763146849
Energy: 0.62688152893007
Energy: 0.6448147938040872
Energy: 0.6276930312087292
Energy: 0.6270627965964946
Energy: 0.6739960216455283
Energy: 0.6721798723711734
Energy: 0.6271210307142404
Energy: 0.6375061120313484
Energy: 0.6273717825995155
Energy: 0.6957889564620741
Energy: 0.6331282892413105
Energy: 0.6957548303729006
Energy: 0.6144018939815876
Energy: 0.693440042551818
Energy: 0.6113749653060304
Energy: 0.6979339659836674
Energy: 0.6804089907567974
Energy: 0.6712564366041182
Energy: 0.6961158381994629
Energy: 0.6775619717247204
Energy: 0.6708140014510874
Energy: 0.671818853618317
Energy: 0.698857288656714
Energy: 0.6991656388227969
Energy: 0.6726286712705505
Energy: 0.6383905678307866
Energy: 0.6723378578126938
Energy: 0.7492693210462701
Energy: 0.6386298457811879
Energy: 0.6991161976668826
Energy: 0.7136864031645345
Energy: 0.6423801834723408
Energy: 0.7034287912174167
Energy: 0.7561506360766506
Energy: 0.674662107394534
Energy: 0.6707462606354799
Energy: 0.7247679690684804
Energy: 0.6758552000504892
Energy: 0.7213208577203284
Energy: 0.6831992065821457
Energy: 0.7126417217872265
Energy: 0.7040044610372079
Energy: 0.6347070743182297
Energy: 0.7120039958322302
Energy: 0.6927925314251457
Energy: 0.7012617517433776
Energy: 0.7284589962448808
Energy: 0.67736430076855
Energy: 0.7019023302885997
Energy: 0.7259151550615626
Energy: 0.6708503005046197
Energy: 0.7485049813120551
Energy: 0.7009075466601846
Energy: 0.7003015797789616
Energy: 0.7135222867615107
Energy: 0.6757396928662835
Energy: 0.7041560503035782
Energy: 0.7149021380512646
Energy: 0.6664451797808022
Energy: 0.6982412749201699
Energy: 0.714958961917326
Energy: 0.6668035505878376
Energy: 0.6979812092293364
Energy: 0.6771657785023723
Energy: 0.6766530680498115
Energy: 0.6344639361664577
Energy: 0.6771416152836437
Energy: 0.7404601753653712
Energy: 0.6723952483999506
Energy: 0.6917660474090398
Energy: 0.7102761239818236
Energy: 0.7111375306695792
Energy: 0.624628565097146
Energy: 0.7104443562016693
Energy: 0.6864739833307153
Energy: 0.6753027644953838
Energy: 0.6281339516322657
Energy: 0.675100500744274
Energy: 0.6755081773452702
Energy: 0.6756325734852867
Energy: 0.7179723984173779
Energy: 0.681022923499067
Energy: 0.6263042585208808
Energy: 0.641108679498208
Energy: 0.681613509451095
Energy: 0.6301575999824728
Energy: 0.6724173650495103
Energy: 0.69168334646176
Energy: 0.627752818183575
Energy: 0.7013940473668787
Energy: 0.6941959886048508
Energy: 0.6419757506103241
Energy: 0.6976945723324725
Energy: 0.6926878282342372
Energy: 0.6281003966937718
Energy: 0.6280851497328447
Energy: 0.6930946495788952
Energy: 0.6284531614095336
Energy: 0.6279289405963155
Energy: 0.6949910642646223
Energy: 0.6627031817833005
Energy: 0.6818433001841642
Energy: 0.6305958543660521
Energy: 0.6593494068627124
Energy: 0.6291136215805041
Energy: 0.626953785584718
Energy: 0.6270291690114165
Energy: 0.6283796683994985
Energy: 0.6269323224861447
Energy: 0.639648334634198
Energy: 0.6275078346547788
Energy: 0.6300829436999852
Energy: 0.6734165943415289
Energy: 0.6268342055553857
Energy: 0.6276300475243929
Energy: 0.6745648362349714
Energy: 0.6275411641394001
Energy: 0.6953968081817484
Energy: 0.6351435233437703
Energy: 0.6952911285249945
Energy: 0.6141222356243887
Energy: 0.6956927881478135
Energy: 0.6813962958298065
Energy: 0.6949658820127048
Energy: 0.6772439632478925
Energy: 0.6713929709231097
Energy: 0.6966871072900144
Energy: 0.6785647039331691
Energy: 0.6712510902801828
Energy: 0.6707229669063268
Energy: 0.6896739083154757
Energy: 0.6686203114249838
Energy: 0.6712178272380921
Energy: 0.6382859070543909
Energy: 0.6701639764654408
Energy: 0.7980437657881343
Energy: 0.6390354327594242
Energy: 0.6953187113715453
Energy: 0.7156060252024589
Energy: 0.6141669340157418
Energy: 0.7009198594501552
Energy: 0.7446705993132375
Energy: 0.6747331292424331
Energy: 0.6743096230695123
Energy: 0.7191378978073312
Energy: 0.6798219924119346
Energy: 0.6341602642766326
Energy: 0.6835358886009923
Energy: 0.7127393236093456
Energy: 0.704252716676922
Energy: 0.6388102835971997
Energy: 0.7127252614112268
Energy: 0.6923035359557201

minimum gb energy = 0.6113749653060304 eV
minimum distance =  2.36006894592612 Angstroms
sigma value = 41


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

Energy: 0.8645134199211316
Energy: 0.8801106463326079
Energy: 0.8451476753780278
Energy: 0.73953059563291
Energy: 0.8072328364142041
Energy: 0.8451243736019316
Energy: 0.7963984950500232
Energy: 0.7795975043460355
Energy: 0.7807906350540783
Energy: 0.7768877605558411
Energy: 0.7789554976585931
Energy: 0.7560873977375606
Energy: 0.8760628902841265
Energy: 0.7406302404497676
Energy: 0.737784866988137
Energy: 0.777242916188045
Energy: 0.743154761288972
Energy: 0.7550000574953989
Energy: 0.781147658163853
Energy: 0.7404410453102926
Energy: 0.7381700354914098
Energy: 0.781282028032439
Energy: 0.7417665871726211
Energy: 0.7645506794002734
Energy: 0.763649783310485
Energy: 0.7808003787735815
Energy: 0.7575605758808153
Energy: 0.7635414554910614
Energy: 0.7802909799820787
Energy: 0.7409943148158323
Energy: 0.7770955019188597
Energy: 0.7815680209967772
Energy: 0.7405811632681291
Energy: 0.7663324743477723
Energy: 0.7811216472407624
Energy: 0.7396796676381104
Energy: 0.7623962024035112
Energy: 0.74299489032883
Energy: 0.756144333620901
Energy: 0.7624465574875021
Energy: 0.7417213105999921
Energy: 0.7426374339777266
Energy: 0.7657479472675875
Energy: 0.7412906342177455
Energy: 0.7403096032376334
Energy: 0.7667637752609868
Energy: 0.745153023510247
Energy: 0.7638344648882539
Energy: 0.8044252615918668
Energy: 0.742147545676513
Energy: 0.7400676263381849
Energy: 0.807795862295845
Energy: 0.7829801992038767
Energy: 0.7397872510351604
Energy: 0.7807456348138689
Energy: 0.7677745217574273
Energy: 0.7454126062555826
Energy: 0.7691397149004652
Energy: 0.7636952071132685
Energy: 0.7395843726567958
Energy: 0.7699359607416532
Energy: 0.756987853381618
Energy: 0.7437252617358606
Energy: 0.740783228657871
Energy: 0.7256027156265262
Energy: 0.7431333817007965
Energy: 0.8812956128638968
Energy: 0.7252315696600721
Energy: 0.7257103696555905
Energy: 0.8819817582258285
Energy: 0.7253388679073752
Energy: 0.7776505825090093
Energy: 0.8802865803627006
Energy: 0.7639762328952976
Energy: 0.7557479149842469
Energy: 0.777596935370049
Energy: 0.7672221992626689
Energy: 0.7556907309575006
Energy: 0.7247540560416533
Energy: 0.7792190447233351
Energy: 0.7316208668131835
Energy: 0.7288300016676179
Energy: 0.7787119449325535
Energy: 0.7264194162558999

minimum gb energy = 0.7247540560416533 eV
minimum distance =  2.35376501945732 Angstroms
sigma value = 11


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

Energy: 0.895891406966453
Energy: 1.0968585719258792
Energy: 0.9102071156673899
Energy: 0.8835195092528938
Energy: 0.9371128396286947
Energy: 0.8592985098568623
Energy: 0.9579400966337878
Energy: 0.8545546326076627
Energy: 0.8560631191279753
Energy: 0.8825697000967723
Energy: 0.8541153777308317
Energy: 0.8806303172278116
Energy: 1.0157251418178477
Energy: 0.8724807332842265
Energy: 0.8626520810932359
Energy: 0.8783935345503189
Energy: 0.8475242703646731
Energy: 0.8626576234275426
Energy: 0.881186608700635
Energy: 0.846368899924727
Energy: 0.8494415078400902
Energy: 0.858946202385792
Energy: 0.848818454226176
Energy: 0.8838118483528157
Energy: 0.8796677594445682
Energy: 0.8562813613250314
Energy: 0.8566659531124944
Energy: 0.8527004389776879
Energy: 0.858464959021941
Energy: 0.8899239982857986
Energy: 0.9037425537827732
Energy: 0.860656762821855
Energy: 0.8559484233125274
Energy: 0.8509086960507596
Energy: 0.8723862480844323
Energy: 0.8672045696672501
Energy: 0.875315065340994
Energy: 0.8680199094487705
Energy: 0.8676090766355111
Energy: 0.8755493495640813
Energy: 0.861674055978163
Energy: 0.8455031601003428
Energy: 0.8706318326987711
Energy: 0.8676682812259099
Energy: 0.8877596361739192
Energy: 0.8565366379976348
Energy: 0.8513443611276982
Energy: 0.8587826008542095
Energy: 0.8484445489627486
Energy: 0.8794869212181778
Energy: 0.8742350702591984
Energy: 0.8431185252434793
Energy: 0.8639895562513389
Energy: 0.8463530630522964
Energy: 0.8486962321652539
Energy: 0.8795821925080091
Energy: 0.8711631346352123
Energy: 0.8445311770793581
Energy: 0.8643743730547356
Energy: 0.8454883302916025
Energy: 0.8713890232312845
Energy: 0.8573885641452045
Energy: 0.8902006163057767
Energy: 0.8567619472663791
Energy: 0.8600638596009085
Energy: 0.8566724290658562
Energy: 0.8558371680582064
Energy: 0.8496550032656293
Energy: 0.860506745115556
Energy: 0.8560070303901733
Energy: 0.8595986495020178
Energy: 0.8703817570750721
Energy: 0.8539135000156097
Energy: 0.8576630869224787
Energy: 0.8585780376751195
Energy: 0.8539825241719738
Energy: 0.8715352854915239
Energy: 0.8839781193928262
Energy: 0.8724134458910996
Energy: 0.8757032582297508
Energy: 0.8668979830124481
Energy: 0.8505768195346559
Energy: 0.9232911879484749
Energy: 0.87104135042575
Energy: 0.8472640151285491
Energy: 0.857690729064115
Energy: 0.8845931331973367
Energy: 0.8518333326232919
Energy: 0.8597559069875392
Energy: 0.8828655216917994
Energy: 0.8477972797947582
Energy: 0.8856468454473757
Energy: 0.8839068294899952
Energy: 0.848895103833213
Energy: 0.8587632987044597
Energy: 0.8476056310511398
Energy: 0.847159937048767
Energy: 0.8501818207073173
Energy: 0.8745590724229796
Energy: 0.8474546432953262
Energy: 0.853980581513133
Energy: 0.8646928295524717
Energy: 0.8908475701378548
Energy: 0.9032164454274694
Energy: 0.8943291141058121
Energy: 0.8565706049428143
Energy: 0.902659439920735
Energy: 0.8575229607682722
Energy: 0.8646943370484512
Energy: 0.8547378143877733
Energy: 0.8538343249216703
Energy: 0.8652133475699335
Energy: 0.8549857272539294
Energy: 0.8737921045821564
Energy: 0.8760725162368334
Energy: 0.8442307849312597
Energy: 0.8585855185473731
Energy: 0.8610053460052202
Energy: 0.8500055337967546
Energy: 0.8487849909482813
Energy: 0.9312566660210421
Energy: 0.8483853786647695
Energy: 0.8479084516896968
Energy: 0.8604053675933298
Energy: 0.8574451577953298
Energy: 0.871093125880638
Energy: 0.8843181977510683
Energy: 0.858050874948899
Energy: 0.8606452799915424
Energy: 0.8694068400490352
Energy: 0.8585019589859
Energy: 0.8705985354492164
Energy: 0.8699823013874355
Energy: 0.8706829755674682
Energy: 0.861265194780262
Energy: 0.8429604065149422
Energy: 0.8613011283180518
Energy: 0.8633387025324222
Energy: 0.9288949402725808
Energy: 0.866096316960144
Energy: 0.8744702099022399
Energy: 0.856300824315699
Energy: 0.8612367068430843
Energy: 0.8720765966333439
Energy: 0.9249763822702531
Energy: 0.8546565078523757
Energy: 0.8745723828166174
Energy: 0.9258113473964407
Energy: 0.8638035269566291
Energy: 0.87619605460575
Energy: 0.9135970131982789
Energy: 0.8474372828770922
Energy: 0.8568952016204843
Energy: 0.8595697289732139
Energy: 0.8495904786665365
Energy: 0.8840651196632434
Energy: 0.8965172668625179
Energy: 0.8467713005237354
Energy: 0.8479180542846648
Energy: 0.8603693832846601
Energy: 0.8493623375604646
Energy: 0.8482135008672981
Energy: 0.89683809598645
Energy: 0.853821176004245
Energy: 0.8481755857648406
Energy: 0.859647321227042
Energy: 0.8515664864200315
Energy: 0.8839298822513735
Energy: 0.9348017707005564
Energy: 0.86035386164093
Energy: 0.8601426615772323
Energy: 0.8664791918472595
Energy: 0.857177109104946
Energy: 0.8773157165144307
Energy: 1.0046856437669403
Energy: 0.8542299745309617
Energy: 0.8509364778648478
Energy: 0.862725024160663
Energy: 0.8539116217428163
Energy: 0.8854267348917433
Energy: 0.8819151400710113
Energy: 0.8584873063126203
Energy: 0.8746640719420983
Energy: 0.8484519930146565
Energy: 0.8568086683002689
Energy: 0.8563043694825184

minimum gb energy = 0.8429604065149422 eV
minimum distance =  2.33253675432075 Angstroms
sigma value = 57


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

Energy: 1.1789375005205296
Energy: 0.9681056233941132
Energy: 0.9711096271580215
Energy: 0.9658021138451636
Energy: 1.269391915142594
Energy: 0.9685429737859956
Energy: 0.840321363104121
Energy: 0.8634208476966277
Energy: 0.8608765760812702
Energy: 0.8695851908023019
Energy: 0.8720651621172734
Energy: 0.859860383412083
Energy: 0.9123597942189725
Energy: 0.8845676014789696
Energy: 0.8677406976855939
Energy: 0.9137370366255199
Energy: 0.865026618314507
Energy: 0.8624440903819118
Energy: 0.8667156345264586
Energy: 0.8647645431379613
Energy: 0.8595803580633232
Energy: 0.8673945921204633
Energy: 0.8644718231335249
Energy: 0.8598212080778299
Energy: 0.8675332158810826
Energy: 0.8654449946861394
Energy: 0.8624815546552899
Energy: 0.8694096302951667
Energy: 0.8677542275407955
Energy: 0.8594683940580279
Energy: 0.8685319551020722
Energy: 0.8722723194534332
Energy: 0.8707168798896947
Energy: 0.8661477667587293
Energy: 0.9153162871465923
Energy: 0.8622763521983746
Energy: 0.911072726261547
Energy: 0.8867479759205336
Energy: 0.8891421454260474
Energy: 0.9119984861177601
Energy: 0.883844283828007
Energy: 0.8622599010329617
Energy: 0.9550462965620632
Energy: 0.870464293156923
Energy: 0.8615899618703353
Energy: 0.871364317389761
Energy: 0.8712257760024179
Energy: 0.8588397056775164
Energy: 0.8399362892824035
Energy: 0.8695734369123667
Energy: 0.8860898013961784
Energy: 0.8401044577090045
Energy: 0.8666792382488183
Energy: 0.8415575432687391
Energy: 0.8865086049672947
Energy: 0.8689561262482325
Energy: 0.8859459037899048
Energy: 0.8405056090823311
Energy: 0.8672814393464914
Energy: 0.8416560592770829
Energy: 0.9540799234606729
Energy: 0.8714756724097444
Energy: 0.8636719145455893
Energy: 0.8718102167301321
Energy: 0.8623012707159139
Energy: 0.8593558898006306
Energy: 0.9018394464885521
Energy: 0.8662745166348973
Energy: 0.8640106666445944
Energy: 0.9025324859396664
Energy: 0.8883634643123091
Energy: 0.8701417412126612
Energy: 0.8727379576067882
Energy: 0.8626145831486434
Energy: 0.8604611207760496
Energy: 0.8704517579959193
Energy: 0.8596364513937979
Energy: 0.8591338091650527
Energy: 0.8678787449615478
Energy: 0.9136519093390121
Energy: 0.8687402863409347
Energy: 0.8650344039357006
Energy: 0.9135368282439625
Energy: 0.8699045627847182
Energy: 0.8692322937122796
Energy: 0.8835255088171808
Energy: 0.8602280564175211
Energy: 0.8712153911792158
Energy: 0.8821576440835017
Energy: 0.8600079531556508
Energy: 0.9137700140267886
Energy: 0.8842147251614135
Energy: 0.8409173142653508
Energy: 0.912710917497386
Energy: 0.8832694115011376
Energy: 0.8621142764387989
Energy: 0.8404452218573636
Energy: 0.8644063119283172
Energy: 0.8611198324119065
Energy: 0.8402215008948427
Energy: 0.8728488634675428
Energy: 0.8617496509373145

minimum gb energy = 0.8399362892824035 eV
minimum distance =  2.34988610932005 Angstroms
sigma value = 9


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

Energy: 1.4310931802715112
Energy: 0.9649455035878
Energy: 0.91689800453428
Energy: 0.9048171310106043
Energy: 0.9623699457880728
Energy: 0.931484397421437
Energy: 0.943376898958775
Energy: 0.9114434448955703
Energy: 0.9117917533419111
Energy: 0.9095903204095628
Energy: 0.9383332170176346
Energy: 0.9160286696830262
Energy: 0.921381240149598
Energy: 0.9188806595315595
Energy: 0.9144716437559672
Energy: 0.9017533153552402
Energy: 0.9089182724600448
Energy: 0.9142947066220176
Energy: 0.907773569428218
Energy: 0.9110489018197827
Energy: 0.9218102438960506
Energy: 0.9095534894804721
Energy: 0.9097817628254229
Energy: 0.9257269306913091
Energy: 0.9513113672355409
Energy: 0.8880444496938433
Energy: 0.8856792749952312
Energy: 0.8844996184206851
Energy: 0.8855227787334758
Energy: 0.8845979356276386
Energy: 0.9186538419794363
Energy: 0.9125921771907889
Energy: 0.9104319215122816
Energy: 0.9196068495480604
Energy: 0.9157349708616337
Energy: 0.9101643383939213
Energy: 0.9026425289127699
Energy: 0.9106481422732217
Energy: 0.9190112437315838
Energy: 0.8834805164610741
Energy: 0.9124410967537375
Energy: 0.9130764430046919
Energy: 0.9377904677552253
Energy: 0.9087988405425722
Energy: 0.9151715808659727
Energy: 0.9027410051266831
Energy: 0.9099177905338768
Energy: 0.9147008749668992
Energy: 0.9568381255030057
Energy: 0.8877686588530589
Energy: 0.8896582427836668
Energy: 0.9088412021063892
Energy: 0.8852163116936418
Energy: 0.9243961394493257
Energy: 0.935270998114659
Energy: 0.8869581223125579
Energy: 0.8849992398195066
Energy: 0.9336095720455052
Energy: 0.903396162231695
Energy: 0.8837052923210704
Energy: 0.9380555935742028
Energy: 0.9018279131034557
Energy: 0.9002156754683576
Energy: 0.9051170361379232
Energy: 0.8994086653872594
Energy: 0.884656424903499
Energy: 0.9383040786527633
Energy: 0.9200690089873634
Energy: 0.9174222837060805
Energy: 0.9233134145903239
Energy: 0.9106841480759483
Energy: 0.9163487262251123
Energy: 0.9511951300015408
Energy: 0.9119473850936953
Energy: 0.9127640967066013
Energy: 0.9183295154197536
Energy: 0.9096334422155798
Energy: 0.9094740869017375
Energy: 0.9304224631523628
Energy: 0.9105085873548309
Energy: 0.9110407805954311
Energy: 0.9035501129431442
Energy: 0.9114676866100252
Energy: 0.9258718640550448
Energy: 0.9379326536725026
Energy: 0.8826806525804664
Energy: 0.8825702759422317
Energy: 0.9226075410863944
Energy: 0.9270184717893463
Energy: 0.8871254739901434
Energy: 0.9219580697028
Energy: 0.9203814131736197
Energy: 0.8819134721174585
Energy: 0.9038975117409912
Energy: 0.9082851939036871
Energy: 0.8826951939376496
Energy: 0.9216608371890121
Energy: 0.9228013232458443
Energy: 0.9271212011394441
Energy: 0.9220494688497672
Energy: 0.909401368227353
Energy: 0.9124796144485028
Energy: 1.0288964083115177
Energy: 0.912291835063164
Energy: 0.8839596019304061
Energy: 0.8899518612086135
Energy: 0.9284560651153301
Energy: 0.8843981922384012
Energy: 0.9264879496544506
Energy: 0.9107972527133805
Energy: 0.9188665605245043
Energy: 0.927108978960741
Energy: 0.9035060626859637
Energy: 0.9151266251895763
Energy: 0.9221163666779217
Energy: 0.9107084714902031
Energy: 0.9197187654677036
Energy: 0.8835984028861406
Energy: 0.9105691988376068
Energy: 0.9151822073159003
Energy: 0.9276415477603737
Energy: 0.885140391959307
Energy: 0.9120633787612505
Energy: 0.9086884987468461
Energy: 0.9254846003893875
Energy: 0.8832419362424536

minimum gb energy = 0.8819134721174585 eV
minimum distance =  2.34792991846973 Angstroms
sigma value = 27


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

Energy: 1.2971650902507361
Energy: 0.8969506409200343
Energy: 0.8982022967502445
Energy: 0.8788952121191734
Energy: 1.3073365859503872
Energy: 0.8987545276481891
Energy: 0.9069255077499853
Energy: 0.8933031794160985
Energy: 0.8936587271959846
Energy: 0.9011736614056034
Energy: 0.9142572116605723
Energy: 0.8875502866798295
Energy: 0.8976322399787513
Energy: 0.8995685793672022
Energy: 0.9017503302526677
Energy: 0.8831472135549514
Energy: 0.8843809587957991
Energy: 0.9204254010600088
Energy: 0.9048205404818995
Energy: 0.8877081288426006
Energy: 0.8995174620835669
Energy: 0.8994201112788045
Energy: 0.8879453558620293
Energy: 0.8981739301690205
Energy: 0.9161154256777403
Energy: 0.8857254749336156
Energy: 0.8817530360399489
Energy: 0.8801842260375032
Energy: 0.8856312247753001
Energy: 0.8824681845119916
Energy: 0.9201223430291637
Energy: 0.9001886492670705
Energy: 0.8980466830416316
Energy: 0.9021590555190909
Energy: 0.9011544926703645
Energy: 0.898108924798944
Energy: 0.8974845135826895
Energy: 0.913535589201639
Energy: 0.8989767857556341
Energy: 0.8841377487980024
Energy: 0.8805786483594719
Energy: 0.8985293943732442
Energy: 0.9051742112216048
Energy: 0.8819803566304376
Energy: 0.8831779413352708
Energy: 0.9064582680304049
Energy: 0.8814412043996014
Energy: 0.884735947579466
Energy: 0.909187094044783
Energy: 0.8846801239760367
Energy: 0.910603255498477
Energy: 0.8819688381736158
Energy: 0.9067484353195745
Energy: 0.882746508005429
Energy: 0.9117652410684377
Energy: 0.90909508786818
Energy: 0.9029087361090429
Energy: 0.8825064088103629
Energy: 0.9101279621261078
Energy: 0.9018950807678487
Energy: 0.9318551378016536
Energy: 0.9119661633638497
Energy: 0.9110156636354841
Energy: 0.883627413199305
Energy: 0.8809232865764702
Energy: 0.9094270659129922
Energy: 0.9283995733266459
Energy: 0.9078887760647684
Energy: 0.9093888532758928
Energy: 0.9165496934074727
Energy: 0.9121499666748175
Energy: 0.9105797837557492
Energy: 0.9927879033518676
Energy: 0.9104819200935179
Energy: 0.9085323369832035
Energy: 0.9034320475262358
Energy: 0.9137281707984726
Energy: 0.9023148999970597
Energy: 0.9878417103056765
Energy: 0.9039692595684512
Energy: 0.9057734307703273
Energy: 0.903114689691181
Energy: 0.9100609226903928
Energy: 0.9066782935662533
Energy: 0.9277231707599676
Energy: 0.9077107666462636
Energy: 0.9034617342669163
Energy: 0.9053465702579786
Energy: 0.9118391001536882
Energy: 0.9018336306495393
Energy: 0.9121302994260145
Energy: 0.8966425894044388
Energy: 0.8952896405729918
Energy: 0.8990810907665556
Energy: 0.9064169720246169
Energy: 0.8954876851497735
Energy: 0.9308870989522054
Energy: 0.9101935209254213
Energy: 0.9113754218164242
Energy: 0.8810352046376904
Energy: 0.9193101925130156
Energy: 0.9038881236600425
Energy: 0.9234891234652696
Energy: 0.8815940514423003
Energy: 0.9020897654850978
Energy: 0.8808964994727694
Energy: 0.8841026316491901
Energy: 0.9021314176027164
Energy: 0.9014641741125597
Energy: 0.8962939433342125
Energy: 0.8834878449265594
Energy: 0.9061384830124172
Energy: 0.8811688854056478
Energy: 0.8819492154690785
Energy: 0.8967932824299993
Energy: 0.8968058416687469
Energy: 0.8905113738352995
Energy: 0.8845452027986443
Energy: 0.8810896410390557
Energy: 0.8825972127573612
Energy: 0.9240449647890814
Energy: 0.8847424211994424
Energy: 0.8810624148704442
Energy: 0.882610289969667
Energy: 0.8842859476167856
Energy: 0.8823749709253879
Energy: 0.9096452633035687
Energy: 0.8813287866406154
Energy: 0.8869900228696386
Energy: 0.9041769408502892
Energy: 0.8845634053817996
Energy: 0.887607739295543
Energy: 0.92608570648625
Energy: 0.8984884517937974
Energy: 0.8981309820146697
Energy: 0.8919748578147714
Energy: 0.8972597409018505
Energy: 0.8995481751123929
Energy: 0.897258193921871
Energy: 0.8996249246368676
Energy: 0.8995085951124088
Energy: 0.8852204602107414
Energy: 0.9006202530775389
Energy: 0.8984719165561377
Energy: 0.9987214337562069
Energy: 0.905977795418013
Energy: 0.9059751871232229
Energy: 0.8817412984344011
Energy: 0.9063805579017739
Energy: 0.8800321827869386

minimum gb energy = 0.8788952121191734 eV
minimum distance =  2.32144426464263 Angstroms
sigma value = 19


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

Energy: 1.3886370518132385
Energy: 0.8482114143951759
Energy: 0.8626480030360318
Energy: 0.8842174775183452
Energy: 0.8808672487030563
Energy: 0.8626289532769561
Energy: 0.9002910651281532
Energy: 0.8741301376489647
Energy: 0.8702052354148655
Energy: 0.8731407174446101
Energy: 0.8746608067811871
Energy: 0.8724338186632625
Energy: 0.9035212756326665
Energy: 0.8724760725621825
Energy: 0.8733224184601647
Energy: 0.8808664334288074
Energy: 0.872102085478777
Energy: 0.870640938417479
Energy: 0.9022279278404494
Energy: 0.8727963429727984
Energy: 0.8733426776686011
Energy: 0.874319802308732
Energy: 0.8966200972990394
Energy: 0.8735628705633924
Energy: 0.9023705379028913
Energy: 0.8739649410092539
Energy: 0.8744778741208366
Energy: 0.8790756679028989
Energy: 0.8814919243782942
Energy: 0.8758531399904519
Energy: 0.9132746374744194
Energy: 0.9054696541313085
Energy: 0.908659064514595
Energy: 0.8740759103129061
Energy: 0.8726052707218248
Energy: 0.8729698142186019
Energy: 0.9086249121418097
Energy: 0.8780303291790363
Energy: 0.8753831480829118
Energy: 0.8805759372746998
Energy: 0.8808544713512529
Energy: 0.8732683864645066
Energy: 0.9017509749792293
Energy: 0.8762805525445388
Energy: 0.871898460585953
Energy: 0.8743177548616389
Energy: 0.8716146062374798
Energy: 0.8697509401272431
Energy: 0.8895481122658166
Energy: 0.8697518821607724
Energy: 0.8729501169094314
Energy: 0.8720158252687517
Energy: 0.8660846423376813
Energy: 0.8741473098201318
Energy: 0.8899052579969383
Energy: 0.884113144923378
Energy: 0.8826431148604386
Energy: 0.8719431399607049
Energy: 0.885736036615816
Energy: 0.8826825883263439
Energy: 0.9036596260090971
Energy: 0.8658411991907294
Energy: 0.86607736096665
Energy: 0.8826653132297526
Energy: 0.8629484811901936
Energy: 0.8639277719690316
Energy: 0.8998664263899572
Energy: 0.8862304068507786
Energy: 0.8552464787378423
Energy: 0.8468528332053844
Energy: 0.8726211155450289
Energy: 0.8554388113783884
Energy: 0.9195538369874829
Energy: 0.8729472321196436
Energy: 0.8734419689478526
Energy: 0.8729342672914523
Energy: 0.8988715898211967
Energy: 0.8736527221077567
Energy: 0.9380815347131615
Energy: 0.8838071513143153
Energy: 0.8739021990392057
Energy: 0.8626911884168995
Energy: 0.8867458178658788
Energy: 0.872681447957643
Energy: 0.8987630622969174
Energy: 0.8547799767446528
Energy: 0.8544941893328392
Energy: 0.8525364025602086
Energy: 0.8636827528952534
Energy: 0.8543428992181255
Energy: 0.8999149364329865
Energy: 0.8636377881867776
Energy: 0.862492471722998
Energy: 0.8569959619738917
Energy: 0.8649391491942201
Energy: 0.862485606580701
Energy: 0.9017798361992825
Energy: 0.8752633555621161
Energy: 0.8806381973676146
Energy: 0.8687516612488608
Energy: 0.8863906554843363
Energy: 0.8802673279357621
Energy: 0.9229266431355921
Energy: 0.856758762211695
Energy: 0.8631698028757251
Energy: 0.8773194000111825
Energy: 0.8527917207491635
Energy: 0.8633423589435703
Energy: 0.9108458063668495
Energy: 0.8641805454600548
Energy: 0.8558412764253592
Energy: 0.8828405038093528
Energy: 0.8632384090584372
Energy: 0.8443978335922503
Energy: 0.8988186731371037
Energy: 0.8637769803407531
Energy: 0.8635695128220798
Energy: 0.8757269803383405
Energy: 0.8636702817212029
Energy: 0.8691045688478178
Energy: 0.8757054220319297
Energy: 0.8572638946666429
Energy: 0.8634908352320693
Energy: 0.8653044148672391
Energy: 0.8474116492479249
Energy: 0.8640993455578636
Energy: 0.8725473459990147
Energy: 0.8466225235068771
Energy: 0.8572785112790331
Energy: 0.8548145366692257
Energy: 0.8464272229545184
Energy: 0.8548271218823196
Energy: 0.8916163609513023
Energy: 0.8781707329911536
Energy: 0.877997553349975
Energy: 0.890990001051562
Energy: 0.8790253031940267
Energy: 0.8668060632181751
Energy: 0.9033898704297999
Energy: 0.8596767218862884
Energy: 0.8633877454598805
Energy: 0.8829225297668917
Energy: 0.8600812510428933
Energy: 0.8633718179601515
Energy: 0.9164486406866474
Energy: 0.8508648585580978
Energy: 0.8466939633091999
Energy: 0.8668968735466224
Energy: 0.854282352668884
Energy: 0.8582937450453589
Energy: 0.906245564529358
Energy: 0.8674351453544444
Energy: 0.8676281738486695
Energy: 0.8710649292297954
Energy: 0.8703686741109261
Energy: 0.8722700040383841
Energy: 0.9045662311508141
Energy: 0.8732940114659166
Energy: 0.8733615633642473
Energy: 0.8891372272721645
Energy: 0.872629874746955
Energy: 0.8728902913829354
Energy: 0.9030920399907334
Energy: 0.8731132586555151
Energy: 0.8729121642257036
Energy: 0.8654044229599798
Energy: 0.8728783451790856
Energy: 0.8728601476323746
Energy: 0.9334454521013221
Energy: 0.9155002214178309
Energy: 0.9158876134509459
Energy: 0.8620067273453332
Energy: 0.9175324001359697
Energy: 0.86229716999397

minimum gb energy = 0.8443978335922503 eV
minimum distance =  2.32644416935826 Angstroms
sigma value = 101


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

Energy: 1.2739757268232452
Energy: 0.8509666985215036
Energy: 0.8517364906404686
Energy: 0.8144675668004818
Energy: 0.838976045471692
Energy: 0.8138025082190127
Energy: 0.9301669748485196
Energy: 0.83476775800638
Energy: 0.8415278173396287
Energy: 0.8406796337930923
Energy: 0.8355398034436858
Energy: 0.8484961719010669
Energy: 0.8891131580018652
Energy: 0.8402748214286629
Energy: 0.844649614818881
Energy: 0.8360261973633059
Energy: 0.8421542604601494
Energy: 0.8363669437620304
Energy: 0.8817611475571834
Energy: 0.8411115659755065
Energy: 0.8413573410901295
Energy: 0.8360077808403855
Energy: 0.8517470731149934
Energy: 0.8415131045573871
Energy: 0.8562653737745948
Energy: 0.8366724839257381
Energy: 0.837962679081217
Energy: 0.8524577715283341
Energy: 0.8362911261218988
Energy: 0.8503020864613656
Energy: 0.8680135028271467
Energy: 0.8521450128265504
Energy: 0.8504391393425251
Energy: 0.863248499595434
Energy: 0.8513229136804056
Energy: 0.8638614537883116
Energy: 0.8872230147907603
Energy: 0.8373309045493088
Energy: 0.842873182940739
Energy: 0.8678875830977614
Energy: 0.8381438060035148
Energy: 0.8335570631828688
Energy: 0.8773281581826321
Energy: 0.8423017561819935
Energy: 0.8418785062119085
Energy: 0.8630008427266946
Energy: 0.8589040002844682
Energy: 0.8467599625268399
Energy: 0.8432267618205513
Energy: 0.8345766121760975
Energy: 0.8438799111181825
Energy: 0.8407526124235719
Energy: 0.8334280464751757
Energy: 0.8407534146604121
Energy: 0.8588226325407852
Energy: 0.8425424396624682
Energy: 0.8429523367441533
Energy: 0.8403807965084108
Energy: 0.8431260973433088
Energy: 0.843133254424258
Energy: 0.8876191632485428
Energy: 0.8392035660489848
Energy: 0.8105698892608019
Energy: 0.8360978089588305
Energy: 0.8281856405732779
Energy: 0.8106947712927525
Energy: 0.8894361164683464
Energy: 0.8425131538680863
Energy: 0.8425397458963313
Energy: 0.8368722829633873
Energy: 0.8417886912861543
Energy: 0.843305659744479
Energy: 0.8638936482566854
Energy: 0.8348640456040444
Energy: 0.8358705540041836
Energy: 0.8376610578022344
Energy: 0.8345878592044857
Energy: 0.8352827667784388
Energy: 0.8816644233610096
Energy: 0.8529334079923622
Energy: 0.8466971756436791
Energy: 0.8355198179201794
Energy: 0.8366296601240842
Energy: 0.8473594486386677
Energy: 0.8884715236376225
Energy: 0.8411931177755826
Energy: 0.8417931270297786
Energy: 0.8393006414520702
Energy: 0.8402523807923482
Energy: 0.8435799609791245
Energy: 0.8889362851847493
Energy: 0.8472340598796376
Energy: 0.8410604330472846
Energy: 0.8399375050639888
Energy: 0.8442981380949962
Energy: 0.853601906573759
Energy: 0.8651300524670184
Energy: 0.8984372171284783
Energy: 0.8515425825499512
Energy: 0.8198429445216894
Energy: 0.8985318615270756
Energy: 0.8366976624153355
Energy: 0.9329417129075138
Energy: 0.8351589516053447
Energy: 0.8354305190392532
Energy: 0.8543956316223033
Energy: 0.8354719024537601
Energy: 0.849831265122188
Energy: 0.8885812438652143
Energy: 0.8433422058549291
Energy: 0.8431058381388893
Energy: 0.8337420902310642
Energy: 0.8439494393706981
Energy: 0.8463947366293023
Energy: 0.879125854921465
Energy: 0.8403492952425434
Energy: 0.845791970960368
Energy: 0.8357394849823151
Energy: 0.840538841089984
Energy: 0.8473290775974288
Energy: 0.8585884466131815
Energy: 0.8351308059813942
Energy: 0.8363605932733111
Energy: 0.8521532234088698
Energy: 0.8355013238274903
Energy: 0.8469858297831968
Energy: 0.8786869013798697
Energy: 0.8410185880584027
Energy: 0.8409840116685444
Energy: 0.8441832699361068
Energy: 0.8341793787173294
Energy: 0.8410038121178601
Energy: 0.8676640097009908
Energy: 0.8392701404405664
Energy: 0.8443826415497389
Energy: 0.8519683763122784
Energy: 0.8384291704129958
Energy: 0.833690329469116
Energy: 0.8780508241961265
Energy: 0.8423814388075767
Energy: 0.8421010618378758
Energy: 0.8359677925606872
Energy: 0.8392608268344965
Energy: 0.8358342422633994
Energy: 0.855128353799827
Energy: 0.8368184204408716
Energy: 0.8476650119991579
Energy: 0.8451799211068445
Energy: 0.8342279515207325
Energy: 0.8455423250123825
Energy: 0.8436933993938148
Energy: 0.8434923963005582
Energy: 0.8506028509543819
Energy: 0.8411341523460693
Energy: 0.8376498944647873
Energy: 0.8424429563218939
Energy: 0.8841110809118207
Energy: 0.8294742667864241
Energy: 0.8302012219507887
Energy: 0.8292654547541406
Energy: 0.829069267060671
Energy: 0.8376834951208102
Energy: 0.8893601090164518
Energy: 0.8271368357550024
Energy: 0.8285323602199479
Energy: 0.8392573251319889
Energy: 0.825181176664988
Energy: 0.8475858549103459
Energy: 0.8631885467487774
Energy: 0.8370054377033812
Energy: 0.8378667739225321
Energy: 0.8353934465432798
Energy: 0.8368174564179321
Energy: 0.844553793782607
Energy: 0.8669574284427161
Energy: 0.8457775480623002
Energy: 0.8465434917841879
Energy: 0.8354839454149766
Energy: 0.844435750710553
Energy: 0.8518080507301127
Energy: 0.8895121737462782
Energy: 0.8459547107148198
Energy: 0.8468959139631771
Energy: 0.8367615319092419
Energy: 0.8392067373577984
Energy: 0.8477048542391282
Energy: 0.8886714328397473
Energy: 0.840961926295431
Energy: 0.8410683914155546
Energy: 0.8337272963618491
Energy: 0.8435949301042449
Energy: 0.8485688257416895
Energy: 0.8660725479633293
Energy: 0.842580585658244
Energy: 0.853210086217735
Energy: 0.8200340579048074
Energy: 0.8425888758351148
Energy: 0.8504723415986812

minimum gb energy = 0.8105698892608019 eV
minimum distance =  2.32448973429505 Angstroms
sigma value = 33


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

Energy: 0.015599094670134398
Energy: 0.01637749783941075
Energy: 0.01626097793732044
Energy: 0.01739342188877929
Energy: 0.7676808019459337
Energy: 0.016135587845695173
Energy: 0.01639343456475881
Energy: 0.11096923707545508
Energy: 0.10937695878080271
Energy: 0.11182310949785457
Energy: 0.11098537058862015
Energy: 0.10917186884955207
Energy: 1.0781205089524313
Energy: 0.7702466570945923
Energy: 0.7662505424367075
Energy: 0.7731825512921734
Energy: 0.7718774355303085
Energy: 0.7680865674949873
Energy: 0.4132050386441099
Energy: 0.11096923707590532
Energy: 0.10937695878080271
Energy: 0.11182310949785457
Energy: 0.11098537058862015
Energy: 0.10917186884955207

minimum gb energy = 0.015599094670134398 eV
minimum distance =  2.50241212836391 Angstroms
sigma value = 1