Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.051526293158533
cohesive_energy=3.3624417440272794
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.09114492093046e-19, 2.64508147036962e-19, 3.1174351856055e-19, 3.47369518194174e-19, 3.7496701071482396e-19, 3.9774836027366994e-19, 4.1717154760765195e-19, 4.340296501506e-19, 4.489571298495779e-19, 4.62498726760146e-19, 4.747778084831219e-19, 4.85584489879452e-19, 4.9487230782675e-19, 5.0286716923041e-19, 5.09827024528506e-19, 5.15921704444242e-19, 5.212393286924879e-19, 5.258295647488979e-19, 5.29714843086348e-19, 5.329127876478119e-19, 5.35425000609924e-19, 5.372322558530759e-19, 5.383201337875619e-19, 5.386806235302119e-19, 5.38289692431516e-19, 5.370399946569959e-19, 5.34833797431978e-19, 5.316006049845659e-19, 5.272731258961319e-19, 5.21731196919126e-19, 5.14748911148154e-19, 5.05944950544324e-19, 4.94761757639004e-19, 4.80459126827286e-19, 4.6211580654462e-19, 4.38855406172208e-19, 4.1034947950007995e-19, 3.77302984247196e-19, 3.4066440898088396e-19, 2.98764285648516e-19, 2.45112196705758e-19, 1.6979227096478399e-19, 6.189560816001479e-20, -9.373790745478439e-20, -3.2946839866249197e-19, -6.92185166833752e-19, -1.270292152973436e-18, -2.4670636245658796e-18, -5.06683553972598e-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: -9.23201098901316e-12 eV

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

Energy: 0.011679926140855357
Energy: 0.12373003832955552
Energy: 0.12461234832603196
Energy: 0.1241360097572643
Energy: 0.015575101628990238
Energy: 0.012957133414171996
Energy: 0.12318612605666156
Energy: 0.12487954772434202
Energy: 0.12380675392452895
Energy: 0.014832073311012018
Energy: 0.12314283242189882
Energy: 0.12311434563007365
Energy: 0.12376909712990943
Energy: 0.1240720087719649
Energy: 0.12411804141760614
Energy: 0.1235297205869077
Energy: 0.12324955108318171
Energy: 0.12353154823257075
Energy: 0.12405798406823212
Energy: 0.12428045632529994
Energy: 0.12332755455896366
Energy: 0.012042170776755838
Energy: 0.011952023470345692
Energy: 0.12337409818688234
Energy: 0.124006723561484
Energy: 0.12381310891209539
Energy: 0.014569695944177397
Energy: 0.01198723752415442
Energy: 0.12331788219070464
Energy: 0.1244017544710956
Energy: 0.12385703443163107
Energy: 0.012448345830135914
Energy: 0.012673342402009947
Energy: 0.12297753396809273
Energy: 0.12309304173631073
Energy: 0.12416220860984294
Energy: 0.012978195789388969
Energy: 0.012116584814206145
Energy: 0.12264911005344252
Energy: 0.12291330447746367
Energy: 0.12340736364770356
Energy: 0.12379485835774158
Energy: 0.12322640109768186
Energy: 0.013144303436106203
Energy: 0.01232164204575107
Energy: 0.1232884219535999
Energy: 0.12436140745748218
Energy: 0.12427400210096799
Energy: 0.012040081382363791
Energy: 0.12297552430727607
Energy: 0.12296095050754188
Energy: 0.12326286449641394
Energy: 0.12385937212784046
Energy: 0.012408652419936201
Energy: 0.011994026102435709
Energy: 0.12306004935229455
Energy: 0.12325056713870851
Energy: 0.12431165263799723
Energy: 0.012505029771605503
Energy: 0.011884660559346867
Energy: 0.011945033854546708
Energy: 0.12473267633706532
Energy: 0.12358108234343546
Energy: 0.12507420715777295
Energy: 0.12613577825356329
Energy: 0.01192945188567922
Energy: 0.12320777040090415
Energy: 0.12354538597259687
Energy: 0.12461276046263352
Energy: 0.12491239248345655

minimum gb energy = 0.011679926140855357 eV
minimum distance =  2.82866967973625 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.8488697639422333
Energy: 0.8482245509577107
Energy: 0.8508101979019521
Energy: 0.8759609818661296
Energy: 0.9972018060488074
Energy: 0.8758525537995199
Energy: 0.8501842383899104
Energy: 0.8488455122777773
Energy: 0.8381194266556852
Energy: 0.7103878085965575
Energy: 0.9071859290692942
Energy: 0.8549829504840296
Energy: 0.7421444547286933
Energy: 0.6759349531285828
Energy: 0.6766042431763091
Energy: 0.9319537543575241
Energy: 0.865433419772968
Energy: 0.7396603613114214
Energy: 0.7337664351600658
Energy: 0.7214695144739376
Energy: 0.9016217121950509
Energy: 0.7059378990742068
Energy: 0.6717369211817019
Energy: 0.6732020346699222
Energy: 0.6734811316263878
Energy: 0.8846559729385751
Energy: 0.707297169224809
Energy: 0.6711362402911767
Energy: 0.8196290098012978
Energy: 0.6984637740862223
Energy: 0.8611680042322482
Energy: 0.8464883471077836
Energy: 0.6586013814327601
Energy: 0.6726955253452342
Energy: 0.6722180139225972
Energy: 0.860757441111218
Energy: 0.8457520494032156
Energy: 0.691027782469345
Energy: 0.8187744902841844
Energy: 0.8860548517061914
Energy: 0.838260788866047
Energy: 0.9344486644182239
Energy: 0.7284093195470173
Energy: 0.6762108690832349
Energy: 0.8981997548006232
Energy: 0.8237516413183422
Energy: 0.8566103163568527
Energy: 0.8291872223974402
Energy: 0.6845221504403829
Energy: 0.8385234252139769
Energy: 0.9205159480384362
Energy: 0.8875397887861941
Energy: 0.7798972936597319
Energy: 0.8191101800213844
Energy: 0.839761225685444
Energy: 0.8678321274637653
Energy: 0.8228987783830974
Energy: 0.675841534445693
Energy: 0.9274385175513222
Energy: 0.8864806704404636
Energy: 0.8481240061465367
Energy: 0.8316768304209373
Energy: 0.7359432489780972
Energy: 0.8744427077993704
Energy: 0.8898241990766507
Energy: 0.9698722827757749
Energy: 0.8210115728990947
Energy: 0.683214843617277
Energy: 0.868676426310549
Energy: 0.8852820486433165
Energy: 0.861332243166101
Energy: 0.9116505307889019
Energy: 0.857546572102477
Energy: 0.8634500401737235
Energy: 0.8880864296001181
Energy: 0.8612367722646709
Energy: 0.9955466390648073
Energy: 0.885926025987784
Energy: 0.8637674446632655
Energy: 0.8990600132532138
Energy: 0.7594618796646099
Energy: 0.6933723229069567
Energy: 0.9214227307582943
Energy: 0.863111858705251
Energy: 0.8706010528776754
Energy: 0.7572714502712125
Energy: 0.6847561719904093
Energy: 0.8843682884100404
Energy: 0.8840918733785679
Energy: 0.8476558735296177
Energy: 0.6751183354959639
Energy: 0.7781411110113652
Energy: 0.7098148184584077
Energy: 0.7970533748703971
Energy: 0.822197162885364
Energy: 0.7868912415575013
Energy: 0.6761671141293951
Energy: 0.7665414058324164
Energy: 0.7098250986376521
Energy: 0.8888344554255995
Energy: 0.6745702567434912
Energy: 0.7820771619225049
Energy: 0.7721161715319096
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Energy: 0.6735496181604914
Energy: 0.7364504428624946
Energy: 0.6734521002109064
Energy: 0.7120141732544383
Energy: 0.8202183836228379
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Energy: 0.6833757393101485
Energy: 0.9065781672917024
Energy: 0.8647720655240436
Energy: 0.8765437729481422
Energy: 0.6859305270995334
Energy: 0.8182439393755578
Energy: 0.8998725040858276
Energy: 0.8575719676584422
Energy: 0.8195605263778513
Energy: 0.7318975594089667
Energy: 0.836302015342179
Energy: 0.8648895566009992
Energy: 0.8408151155726225
Energy: 0.7697153877870913
Energy: 0.6781927318422138
Energy: 0.8320737084196891
Energy: 0.8608138305325613
Energy: 0.8410222211036479
Energy: 0.6744921188561069
Energy: 0.6833640334087301
Energy: 0.8698193016296909
Energy: 0.8676091947584431
Energy: 0.8244574672916949
Energy: 0.6971444514329994
Energy: 0.7899888387083464
Energy: 0.8651101852310105
Energy: 0.8912985469708933
Energy: 0.8418818108874132
Energy: 0.9970780786134664
Energy: 0.8837875716381631
Energy: 0.8626488043685147
Energy: 0.9044759137299404
Energy: 0.8555386444155254
Energy: 1.05375093986024
Energy: 0.8646416686528005
Energy: 0.8942957371085258
Energy: 0.866417378074082
Energy: 0.8854997234059594
Energy: 0.6852143182124041
Energy: 0.8603212358683824
Energy: 0.8741378835349775
Energy: 0.875194005073864
Energy: 0.6851557296645616
Energy: 0.7040854110324447
Energy: 0.9399967525636912
Energy: 0.8641800325895846
Energy: 0.8669657039301081
Energy: 0.6850073789844195
Energy: 0.6745996288110795
Energy: 0.8831213487511356
Energy: 0.702119505833613
Energy: 0.6760168689155224
Energy: 0.7790296323767048
Energy: 0.723034062159262
Energy: 0.8851551490304532
Energy: 0.7024906144248849
Energy: 0.7324186899491137
Energy: 0.6756805536295345
Energy: 0.6816547304460435
Energy: 0.7128501537380627
Energy: 0.7014755901036083
Energy: 0.6934000283754875
Energy: 0.7335091745761082
Energy: 0.7267379985440658
Energy: 0.7119530011488736
Energy: 0.7011411762472226
Energy: 0.6726081768585046
Energy: 0.7332701954597195
Energy: 0.8970004216534613
Energy: 0.8697817186604513
Energy: 0.8299005327757032
Energy: 0.825852415544749
Energy: 0.6838623873595552
Energy: 0.9237350329756816
Energy: 0.8640710047092582
Energy: 0.8794515855295634
Energy: 0.7767149608491055
Energy: 0.6808102077617225
Energy: 0.8389663001989983
Energy: 0.9254098844679921
Energy: 0.8380304717271037
Energy: 0.6775751588767275
Energy: 0.8764768931996911
Energy: 0.8392671888579105
Energy: 0.9262130379689825
Energy: 0.9190650016074896
Energy: 0.8912690644225227
Energy: 0.8239408560978638
Energy: 0.8890206585355652
Energy: 0.9364040359302293
Energy: 0.8882144085041187
Energy: 0.683237717223653
Energy: 0.8673002021295922
Energy: 0.8874425594930835
Energy: 0.8713989742974718
Energy: 0.9265952795075544
Energy: 0.7801737894415665
Energy: 0.8796123833558479
Energy: 0.8857536994910391
Energy: 0.8599944898103415
Energy: 0.8068711025776019
Energy: 0.7827723819029242
Energy: 0.8595160414241826
Energy: 0.8853202666683162
Energy: 0.8607266684769144
Energy: 0.714168496024916
Energy: 0.85660022460707
Energy: 0.865232702106542
Energy: 0.8978524211745701
Energy: 0.7525138067684884
Energy: 0.6849914732118458
Energy: 0.8534465765313413
Energy: 0.8920341588452834
Energy: 0.869718617933776
Energy: 0.7577863780284203
Energy: 0.7327091213346671
Energy: 0.895104476945439
Energy: 0.863158225688912
Energy: 0.7587508726176279
Energy: 0.7391002204188756
Energy: 0.6768207773348691
Energy: 0.7689530758743336
Energy: 0.7507679445268765
Energy: 0.829810198230279
Energy: 0.6759224174760132
Energy: 0.6763749810185028
Energy: 0.787123408448589
Energy: 0.7064309865178338
Energy: 0.775090863005253
Energy: 0.6729894088424595
Energy: 0.788984090114717
Energy: 0.6735957426172773
Energy: 0.711049702423705
Energy: 0.7632010658602906
Energy: 0.7777377061606912
Energy: 0.6817028955854205
Energy: 0.7732843007386341
Energy: 0.697546805371125
Energy: 0.8907830729289936
Energy: 0.6874511902988258
Energy: 0.6787779423890359
Energy: 0.8779778268640493
Energy: 0.8659065018583572
Energy: 0.8696875985622194
Energy: 0.6817881207012444
Energy: 0.6786925321402483
Energy: 0.898320571496885
Energy: 0.8533090323891814
Energy: 0.9516365235631239
Energy: 0.8893555901682316
Energy: 0.8154048660022547
Energy: 0.8669758324652184
Energy: 0.8389265890944884
Energy: 0.8135001021913454
Energy: 0.7303915901314438
Energy: 0.8153712370468428
Energy: 0.9247880730152128
Energy: 0.8387987968438515
Energy: 0.6687277547063507
Energy: 0.7829703519936714
Energy: 0.853826276755993
Energy: 0.8574508064656885
Energy: 0.8997197710658925
Energy: 0.6780053097429438
Energy: 0.6813541380078074
Energy: 0.8516990207445596
Energy: 0.8504270115914137
Energy: 0.9226408690442962
Energy: 0.8625227670092557
Energy: 0.849621188911549
Energy: 0.8808095134112984
Energy: 0.8544680351601733
Energy: 0.8611498573813066
Energy: 1.000615705480044
Energy: 0.8747148009663017
Energy: 0.877896052610417
Energy: 0.8487999684001735
Energy: 0.9124007059379777

minimum gb energy = 0.6586013814327601 eV
minimum distance =  2.61478992787303 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.289873610896921
Energy: 0.9350423458274717
Energy: 0.7635578865910162
Energy: 0.7897768705440893
Energy: 0.9135454014354126
Energy: 0.7832735522458285
Energy: 0.9384289117943174
Energy: 0.7696084029967178
Energy: 0.7973081479713348
Energy: 0.9185050171636853
Energy: 0.8524948976678851
Energy: 0.7828209042174297
Energy: 0.7679499248290841
Energy: 0.7909900063327768
Energy: 0.7105604432634316
Energy: 0.8215937331663178
Energy: 0.7733615319534023
Energy: 0.7639091995291243
Energy: 0.7927240989188358
Energy: 0.7284683906117131
Energy: 0.8357454413300448
Energy: 0.943428552904931
Energy: 0.7721032117106861
Energy: 0.8228932565155515
Energy: 0.7683290448128635
Energy: 0.824175600389892
Energy: 0.9432160815158975
Energy: 0.7764036986573232
Energy: 0.8098586137670174
Energy: 0.767550449559414
Energy: 0.748953494213563
Energy: 0.8014897267792451
Energy: 0.8029493105717364
Energy: 0.8254997967716001
Energy: 0.768774106705101
Energy: 0.787591379467321
Energy: 0.8012027523927131
Energy: 0.7744814433976893
Energy: 0.8398019619707268
Energy: 0.768685719720275
Energy: 0.8177476262801636
Energy: 0.7221891953216197
Energy: 0.9483288208053908
Energy: 0.8288020982461071
Energy: 0.8004474762927114
Energy: 0.8256984736629776
Energy: 0.7344693164067513
Energy: 0.9924541151205372
Energy: 0.8293251393475248
Energy: 0.8071603226034969
Energy: 0.793522321086085
Energy: 0.710431029563244
Energy: 0.9776775483329785
Energy: 0.8256611777947211
Energy: 0.8204868998099454
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Energy: 0.806670641809442
Energy: 0.8054476442573231
Energy: 0.816784864415694
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Energy: 0.8143885285586688
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Energy: 0.8082660034044689
Energy: 0.9431004366889337
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Energy: 0.8143439897741109
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Energy: 0.801486116530999
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Energy: 0.8106533807073272
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Energy: 0.7964930634474311
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Energy: 0.8080043216259135
Energy: 0.7063461245210839
Energy: 0.7078598881332123
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Energy: 0.703048872041212
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Energy: 0.7080837788200542
Energy: 0.8007849946575876
Energy: 0.7021847806607698
Energy: 0.824552880042569
Energy: 0.8167215949310783
Energy: 0.7674912513248225
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Energy: 0.7677311420471681
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Energy: 0.7719576524737258
Energy: 0.7690658145114582
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Energy: 0.7501405255018823
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Energy: 0.809247135745859
Energy: 0.7065287466547772
Energy: 0.7631269062948342
Energy: 0.795758972019933
Energy: 0.788209215779511
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Energy: 0.7012640117238199
Energy: 0.9615776489419868
Energy: 0.7896938405653406
Energy: 0.7883784783513925
Energy: 0.7049203872596782
Energy: 0.6932422308655952
Energy: 0.9650635236004986
Energy: 0.8195072024753375
Energy: 0.8118273059210646
Energy: 0.7030853112200979
Energy: 0.7085342828209622
Energy: 0.8146956286600839
Energy: 0.8190595485320041
Energy: 0.8107876048347085
Energy: 0.7003870566924839
Energy: 0.7080150267510705
Energy: 0.799198380548111
Energy: 0.7341113901016876
Energy: 0.7839278733179267
Energy: 0.7134731501632883
Energy: 0.8201950243665573
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Energy: 0.7064151169075836
Energy: 0.7832041766928779
Energy: 0.7470639791656115
Energy: 0.7590292775197354
Energy: 0.7686390044039356
Energy: 0.81324001305942
Energy: 0.766522370294729
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Energy: 0.7493920682753963
Energy: 0.7721466499604732
Energy: 0.8131916352071904
Energy: 0.7665624585642989
Energy: 0.7660166034112764
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Energy: 0.7309996316636225
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Energy: 0.746814976439531
Energy: 0.7648126135865382
Energy: 0.7794062573754857
Energy: 0.7335920604135141
Energy: 0.7497321752157019
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minimum gb energy = 0.6786723702064928 eV
minimum distance =  2.57741942004076 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7761003835879787
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Energy: 0.801501958779948
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Energy: 0.8437844359467827
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Energy: 0.8314476243542518
Energy: 0.8306721144162761
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Energy: 0.7591143834943198
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Energy: 0.7391031972528257
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Energy: 0.8321976094568174
Energy: 0.8085425419147857
Energy: 0.863553449015279
Energy: 0.9659068585446329
Energy: 0.8455180984272609
Energy: 0.8326813171863527
Energy: 0.7702810021327218
Energy: 0.8645867460956451
Energy: 0.8326906352988293
Energy: 0.8303114024846966
Energy: 0.80299303302494
Energy: 0.8313978905738058
Energy: 0.8306860124006468
Energy: 0.8345110270841465
Energy: 0.8297928919525087
Energy: 0.7996161030614258
Energy: 0.831196653626804
Energy: 0.8083178971095712
Energy: 0.8154551930988724
Energy: 0.817484867387948
Energy: 0.83127097607912
Energy: 0.8189296336916937
Energy: 0.8300396852104596
Energy: 0.8353670894511721
Energy: 0.8172888786178033
Energy: 0.8294863594700701
Energy: 0.815521948136068
Energy: 0.7816569900225956
Energy: 0.852486256947598
Energy: 0.785405923707096
Energy: 0.8303846383074347
Energy: 0.8302317667066915
Energy: 0.7599229593297201
Energy: 0.8350354958769478
Energy: 0.7632162116901605
Energy: 0.8295779320890126
Energy: 0.8299640591820484
Energy: 0.8141031488251995
Energy: 0.8435074948708322
Energy: 0.8235205031639476
Energy: 0.8300363295812508
Energy: 0.8343370904973162
Energy: 0.7465520580474149
Energy: 0.8312345950246579
Energy: 0.8251380200081132
Energy: 0.829249275043709
Energy: 0.8298830834342881
Energy: 0.767061407003847
Energy: 0.8770702841817274
Energy: 0.8510058659411277
Energy: 0.8373196815951953
Energy: 0.833582125539595
Energy: 0.8266190423102683
Energy: 0.7877841671942789
Energy: 0.8512243223550828
Energy: 0.8594131662289107
Energy: 0.8305815902047079
Energy: 0.8588288033822574
Energy: 0.8305263271380878
Energy: 0.8226758830353817
Energy: 0.7655947468746974
Energy: 0.7652220057911933
Energy: 0.834097836509204
Energy: 0.7490428734073967
Energy: 0.8038620900032573
Energy: 0.77165417570185
Energy: 0.7758210237326801
Energy: 0.8294007055117045
Energy: 0.8112218508181114
Energy: 0.7709212358672799
Energy: 0.7913020638914771
Energy: 0.7910502335011539
Energy: 0.7688058334100519
Energy: 0.7657769668604342
Energy: 0.7688120836194299
Energy: 0.7824529286237554
Energy: 0.7856678502574839
Energy: 0.8365968622831371

minimum gb energy = 0.7293905227643995 eV
minimum distance =  2.60193982329659 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.9520165448456785
Energy: 0.7199797073763569
Energy: 0.7144293371123522
Energy: 0.7885647279973838
Energy: 0.7011127724824867
Energy: 0.9515510851469988
Energy: 0.7205556317057894
Energy: 0.7143116875397172
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Energy: 0.703858111378484
Energy: 0.7763211064859236
Energy: 0.7747175529558653
Energy: 0.7175542793647871
Energy: 0.7755415362858259
Energy: 0.7739747333756862
Energy: 0.7763802360038051
Energy: 0.7737398788176779
Energy: 0.7736067645701576
Energy: 0.7764976477873441
Energy: 0.8432056216043065
Energy: 0.7788994891418154
Energy: 0.8400170123708878
Energy: 0.8255662460544657
Energy: 0.7821193376520079
Energy: 0.8256386597911967
Energy: 0.779012135199773
Energy: 0.7823586034372106
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Energy: 0.8257947885175572
Energy: 0.7806595054029676
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Energy: 0.7728849078722289
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Energy: 0.8305585704740096
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Energy: 0.7754544155082153
Energy: 0.7124749558795797
Energy: 0.7191240326668993
Energy: 0.7192292017074171
Energy: 0.773106247245438
Energy: 0.8243715943655311
Energy: 0.7788329641980117
Energy: 0.7883643010995778
Energy: 0.7828368515087666
Energy: 0.7821864982927
Energy: 0.7747091288304551
Energy: 0.8427509764944515
Energy: 0.7877471294581966
Energy: 0.7823376748600974
Energy: 0.7830139418031868
Energy: 0.7758489331322698
Energy: 0.7017638825344024
Energy: 0.7793592778600129
Energy: 0.7733704529037484
Energy: 0.7809249455466953
Energy: 0.9576347000239057
Energy: 0.7819380980174386
Energy: 0.7796831123076987
Energy: 0.7821691817171488
Energy: 0.8406756904775489
Energy: 0.9551703658512055
Energy: 0.7812483783048977
Energy: 0.7746543993076069
Energy: 0.778803916136018
Energy: 0.7798671852144656
Energy: 0.7931983271664426
Energy: 0.7825733159579116
Energy: 0.7754695474973278
Energy: 0.7784722129025275
Energy: 0.780057997056257
Energy: 0.7928843047896234
Energy: 0.7708383533647842
Energy: 0.7773596544613174
Energy: 0.7730233705289048
Energy: 0.7755680438812446
Energy: 0.716481515094516
Energy: 0.7767395982064313
Energy: 0.7760410212210423
Energy: 0.7725440894916145
Energy: 0.777047025102808
Energy: 0.7166602237981827
Energy: 0.8432011671326798
Energy: 0.7683153344440895
Energy: 0.7191391016309928
Energy: 0.7008464471210938
Energy: 0.7735744227008771
Energy: 0.8419439039770599
Energy: 0.7809578580773203
Energy: 0.7192504935192956
Energy: 0.7040841324133659
Energy: 0.7742585798099397
Energy: 0.7039714219927836
Energy: 0.7750060488388066
Energy: 0.7900130884111621
Energy: 0.7189394773310441
Energy: 0.7734486071119636
Energy: 0.7728498470295176
Energy: 0.7777363317456817
Energy: 0.7898786376920667
Energy: 0.7187605308404363
Energy: 0.7732987454394729

minimum gb energy = 0.7008464471210938 eV
minimum distance =  2.61514773168571 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.3951773016306912
Energy: 0.6942679266959715
Energy: 0.6799493062305287
Energy: 0.6909437880401244
Energy: 0.6556639702826459
Energy: 0.6982677340425689
Energy: 0.7019730104795568
Energy: 0.6987992213481102
Energy: 0.708084859743859
Energy: 0.6868179030567687
Energy: 0.7697627877908889
Energy: 0.7417058063736752
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Energy: 0.7105140554049587
Energy: 0.736781716590924
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Energy: 0.7136661721477334
Energy: 0.7353814559589451
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Energy: 0.7060139960992375
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Energy: 0.7218996589099538
Energy: 0.7414935669441031
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Energy: 0.7638425360369322
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Energy: 0.7594081517161232
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Energy: 0.6700426548111686
Energy: 0.7004611682274812
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Energy: 0.7876070436275753
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Energy: 0.7557858425835232
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Energy: 0.759169448742075
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Energy: 0.8610822807480453
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Energy: 0.7609503330954488
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Energy: 0.7394632030067888
Energy: 0.7401351851120733
Energy: 0.772149900209116
Energy: 0.7399284482377485
Energy: 0.7110752679508411
Energy: 0.7467062328472249
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Energy: 0.7241739148188747
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Energy: 0.7504168216393284
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Energy: 0.7103466414519867
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Energy: 0.7443146523721875
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Energy: 0.7440496568637811
Energy: 0.7339478457876822
Energy: 0.678477894005443
Energy: 0.6953525772280604
Energy: 0.6933315272009358
Energy: 0.7097188791704026
Energy: 0.7561589621178086
Energy: 0.711935316320065
Energy: 0.6954021160748879
Energy: 0.6929967573265539
Energy: 0.6644347108393728
Energy: 0.6979386588103466
Energy: 0.7125934913161109
Energy: 0.6734906107610281
Energy: 0.6799830040674909
Energy: 0.6640536071437275
Energy: 0.6982076745545939
Energy: 0.7091790443906868
Energy: 0.7062610478102618
Energy: 0.7008134284868944
Energy: 0.7185027721293602
Energy: 0.7564181593474053
Energy: 0.6902773261769004
Energy: 0.6826585243236793
Energy: 0.6758099622691333
Energy: 0.7170026428949108
Energy: 0.7488046043394634
Energy: 0.7105047973079448
Energy: 0.6917218522363147
Energy: 0.6733913619975032
Energy: 0.7353473193942898
Energy: 0.710306151054003
Energy: 0.7543019957681173
Energy: 0.7550825433575006
Energy: 0.6977562075682574
Energy: 0.7745225479792545
Energy: 0.6901044313811788
Energy: 0.736387395160138
Energy: 0.6768134410854277
Energy: 0.7416267127304815

minimum gb energy = 0.6556639702826459 eV
minimum distance =  2.65821229199071 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.5426367717735163
Energy: 0.5240600280996468
Energy: 0.5287974581516999
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Energy: 0.5630755646731838
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Energy: 0.33885316133576343
Energy: 0.5358364575331116
Energy: 0.6007241936030971
Energy: 0.5031417039312003
Energy: 0.3076069713061602
Energy: 0.30718102164235106
Energy: 0.5317404524481834
Energy: 0.5588801826425673
Energy: 0.528804781898942
Energy: 0.3408513622029838
Energy: 0.3381932746941419
Energy: 0.5426340158444741
Energy: 0.5567664115428274
Energy: 0.5174227865680832
Energy: 0.5400460329616318
Energy: 0.53526108253123
Energy: 0.5047340375596431
Energy: 0.5406128624197001
Energy: 0.5466262061898359
Energy: 0.4642083872640455
Energy: 0.5599403095365597
Energy: 0.5183820782468496
Energy: 0.5458306781132553
Energy: 0.531307338222073
Energy: 0.43106684481757696
Energy: 0.551988169443541
Energy: 0.5616547117318291
Energy: 0.5511149840401157
Energy: 0.530134548604575
Energy: 0.3401550322618167
Energy: 0.5168201088474075
Energy: 0.5397728367325226
Energy: 0.5786031994640621
Energy: 0.4299596001898706

minimum gb energy = 0.2758331610536603 eV
minimum distance =  2.73228350407097 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.68858598707757
Energy: 0.6431276130359148
Energy: 0.650553838679612
Energy: 0.6277485107534134
Energy: 0.6374640918242339
Energy: 0.6372350101344166
Energy: 0.6396623210897199
Energy: 0.6269107951668761
Energy: 0.6528971980213838
Energy: 0.6644114223906502
Energy: 0.6548098019926977
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Energy: 0.6427032096898295
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Energy: 0.6703456942430641
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Energy: 0.6553788233968516
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Energy: 0.7169525236526989
Energy: 0.6712549492010448
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Energy: 0.6547591184121305
Energy: 0.65567936615941
Energy: 0.7317086774314153
Energy: 0.6718678391967003
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Energy: 0.6549674256132892
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Energy: 0.7062703497302408
Energy: 0.6555435914982894
Energy: 0.6738784435385112
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Energy: 0.6446543778525607
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Energy: 0.6866088411504966
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Energy: 0.6629334293705423
Energy: 0.7001555197665036
Energy: 0.6263883104205686
Energy: 0.6827135449009906
Energy: 0.6407437075066079
Energy: 0.665123719816779
Energy: 0.7008597675737476
Energy: 0.6456907918637546
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Energy: 0.6445787983606917
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Energy: 0.6445609489697315
Energy: 0.6456863084758254
Energy: 0.6806396139686534
Energy: 0.7000337361749971
Energy: 0.6418620832912666
Energy: 0.6444704601212403
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Energy: 0.6504511046128081
Energy: 0.6241767656158171
Energy: 0.6526285659161826
Energy: 0.6409948461566229
Energy: 0.6407319720673326
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Energy: 0.6374965491049605
Energy: 0.6678988786613673
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Energy: 0.665060182598999
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Energy: 0.6378961521211367
Energy: 0.642179212031583
Energy: 0.6270588374274044
Energy: 0.6623211979030941
Energy: 0.6420116063484339

minimum gb energy = 0.6081171516422933 eV
minimum distance =  2.62802066270501 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.1145914282691962
Energy: 0.8242068370057519
Energy: 0.8206238505663871
Energy: 0.7784757225122682
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Energy: 0.8516993567509339
Energy: 0.8312199974722689
Energy: 0.7780770502407062
Energy: 0.7722139551086011
Energy: 0.7698917859966266
Energy: 0.818946213622844
Energy: 0.7730985284509774
Energy: 0.7790625545503324
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Energy: 0.7679097828082977
Energy: 0.8182270544453113
Energy: 0.8453938508137964
Energy: 0.8195820772523741
Energy: 0.7773576038936976
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Energy: 0.7773938439222042
Energy: 0.824674682279735
Energy: 0.8181979497357261
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Energy: 0.8187789022108743
Energy: 0.8097897916238718
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Energy: 0.7750508337039942
Energy: 0.8539540050472895
Energy: 0.8105761403638875
Energy: 0.8504886123591198
Energy: 0.7403892754366553
Energy: 0.7997580626521014
Energy: 0.8523409186144884
Energy: 0.8078371015063327
Energy: 0.8262243394836503
Energy: 0.739909845357224
Energy: 0.798729164120752
Energy: 0.8515291921933782
Energy: 0.8095292348782667
Energy: 0.8264654303905175
Energy: 0.8518183793051625
Energy: 0.7969411745524775
Energy: 0.8199268557070113
Energy: 0.8239657262426844
Energy: 0.8253777172934191
Energy: 0.8515577200335288
Energy: 0.7968406583155028
Energy: 0.8164271370231274
Energy: 0.8242922950219018
Energy: 0.825927189554422
Energy: 0.8298265867573863
Energy: 0.8008933177043263
Energy: 0.7767617716111055
Energy: 0.7769072715365144
Energy: 0.8239275653499833
Energy: 0.8291153228915646
Energy: 0.8008922217600559
Energy: 0.776624417686199
Energy: 0.7771810595460242
Energy: 0.8236009138447994

minimum gb energy = 0.739909845357224 eV
minimum distance =  2.64923347258342 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.3036587020840713
Energy: 0.8849772655667085
Energy: 0.9171544121806164
Energy: 0.8784797223906123
Energy: 0.8795263957890628
Energy: 0.9096786504459625
Energy: 0.8839449855457358
Energy: 0.8912082407210169
Energy: 0.8830742546389277
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Energy: 0.8798451232292802
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Energy: 0.8586288411581797
Energy: 0.8518535919517959
Energy: 0.9276148812146693
Energy: 0.9003927867578203
Energy: 0.8752096360403399
Energy: 0.8642114998923361
Energy: 0.8621116025663648
Energy: 0.8959617699508856
Energy: 0.9247782271633337
Energy: 0.8954739368181548
Energy: 0.8827273531489829
Energy: 0.8631920455177857
Energy: 0.8702343381711223
Energy: 0.931024742517786
Energy: 0.8873352083934264
Energy: 0.8836854604634221
Energy: 0.8506170844261989
Energy: 0.8774048736200287
Energy: 0.8791746107835069
Energy: 0.9316883078509456
Energy: 0.9313778471881832
Energy: 0.9459402185639824
Energy: 0.8946816751439355
Energy: 0.8790888970985479
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minimum gb energy = 0.8381396030114638 eV
minimum distance =  2.59260244316862 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8655967028577488
Energy: 0.9336645079220767
Energy: 0.8666259328101279
Energy: 0.9018668125594536
Energy: 0.8712260183491662
Energy: 0.8884946247747681
Energy: 0.9211630063599683
Energy: 0.8667040022569615
Energy: 0.8915102997769979
Energy: 0.8581087316980637
Energy: 0.8852826156232264
Energy: 0.9200029501345653
Energy: 0.8692682508432342
Energy: 0.894054904848484
Energy: 0.8991814030560803
Energy: 0.9020068281011526
Energy: 0.856551696545461
Energy: 0.85587494395277
Energy: 0.9025952584031137
Energy: 0.8984511609755654
Energy: 0.9018261473049702
Energy: 0.8566234449672147
Energy: 0.8565205051151327
Energy: 0.9019222679627535
Energy: 0.8307373804485412
Energy: 0.9020345689331437
Energy: 0.8585363446027596
Energy: 0.862755011081373
Energy: 0.898047062445
Energy: 0.8310632382050475
Energy: 0.9005411741988352
Energy: 0.8584454393928085
Energy: 0.8621343652951489
Energy: 0.8941129261185893
Energy: 0.9060938322683736
Energy: 0.8679271266502567
Energy: 0.8567457764449652
Energy: 0.8563134519693157
Energy: 0.8840048632273546
Energy: 0.8720556836543666
Energy: 0.8689216937023783
Energy: 0.8547634642566475
Energy: 0.8549735793634283
Energy: 0.8800706421215894
Energy: 0.8716651110851081
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Energy: 0.876588506790077
Energy: 0.9220926119149843
Energy: 0.88757700195141
Energy: 0.8717456815331887
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Energy: 0.876645498702456
Energy: 0.8812650350061717
Energy: 0.8987365627121281
Energy: 0.879874730463437
Energy: 0.8387961778741733
Energy: 0.8358380458731176
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Energy: 0.889878637804845
Energy: 0.8721718764174515
Energy: 0.8364294598279889
Energy: 0.8407395074234665
Energy: 0.8790814902479387
Energy: 0.8772783516117992
Energy: 0.8782408779084994
Energy: 0.8356993630808405
Energy: 0.8411835112377969
Energy: 0.8790882428233004
Energy: 0.8805754709029427
Energy: 0.8681162062516451
Energy: 0.8775459314891829
Energy: 0.859636760176796
Energy: 0.8554151510677207
Energy: 0.8603713341187159
Energy: 0.8687827517760466
Energy: 0.876175403317334
Energy: 0.8593617175470291
Energy: 0.8536007803157754
Energy: 0.8632221724017967
Energy: 0.862009420451151
Energy: 0.9952199238098208
Energy: 0.9009089634733464
Energy: 0.8651191922332311
Energy: 0.9060642624512723
Energy: 0.8619030767443302
Energy: 0.8626270774602393
Energy: 0.8994841127720649
Energy: 0.8655088279039668
Energy: 0.9152597113922537
Energy: 0.9313945183101172
Energy: 0.9021540139600588
Energy: 0.9019327926624089
Energy: 0.8634113994717416
Energy: 0.8669239966002464
Energy: 0.8771759271687337
Energy: 0.9022989382660677
Energy: 0.9032489934653434
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Energy: 0.8578316378672945
Energy: 0.8918602376316211
Energy: 0.9026187451689553
Energy: 0.9027913401905417
Energy: 0.8759839460128808
Energy: 0.9412402008602426
Energy: 0.915362248084105
Energy: 0.9024776597599341
Energy: 0.9025683133186512
Energy: 0.8917207559783469
Energy: 0.858714070517638
Energy: 0.8549913753497225
Energy: 0.8577132786286857
Energy: 0.8824749485983402
Energy: 0.8989776989655824
Energy: 0.8726112896352118
Energy: 0.8556326505018841
Energy: 0.8606326405570599
Energy: 0.9145312698491208
Energy: 0.8875953290416818
Energy: 0.8584961207362578
Energy: 0.8579529712263584
Energy: 0.9005836873000148
Energy: 0.8303198751263479
Energy: 0.8315038446315104
Energy: 0.8608959712701395
Energy: 0.859600045741078
Energy: 0.9000210422755549
Energy: 0.8303319158567785
Energy: 0.8316485400696071
Energy: 0.8585957038209746
Energy: 0.8535884014297679
Energy: 0.8563706740517452
Energy: 0.879741716915984
Energy: 0.8681637077659854
Energy: 0.8747417330430827
Energy: 0.8542406208351632
Energy: 0.8562598329576356
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Energy: 0.867844223636261
Energy: 0.8697302000070303
Energy: 0.8789744855896254
Energy: 0.8471926825450623
Energy: 0.8481076083875091
Energy: 0.9101057980219882
Energy: 0.8725634425233297
Energy: 0.9017576148393174
Energy: 0.8470083531575772
Energy: 0.8481005949518965
Energy: 0.9080858094080511
Energy: 0.8721960645133588
Energy: 0.8366890700481789
Energy: 0.8726481880830494
Energy: 0.9041038774228408
Energy: 0.9151216073035398
Energy: 0.8363657808551003
Energy: 0.8710914565262365
Energy: 0.8601694674812916
Energy: 0.917368000610417
Energy: 0.9191801115419216
Energy: 0.8361696426447254
Energy: 0.9151838441018755
Energy: 0.8746294806894169
Energy: 0.86878947862829
Energy: 0.9100498183250819
Energy: 0.8369713262770963
Energy: 0.8608179916228067
Energy: 0.8745991690753215
Energy: 0.8702192474651301
Energy: 0.912466817771392
Energy: 0.8361556060790506
Energy: 0.8572648731480593
Energy: 0.8520819348439297
Energy: 0.870350594976646
Energy: 0.9025572198393095
Energy: 0.8690408528700644
Energy: 0.8571735721807991
Energy: 0.8538030386058384
Energy: 0.8698757058215686
Energy: 0.9028180590538349
Energy: 0.9068653999747979
Energy: 0.9127513821736533
Energy: 0.8916613635765429
Energy: 0.9043774996963504
Energy: 0.863345737906055
Energy: 0.8619985942337128
Energy: 0.9115544697760719
Energy: 0.8927144110315124
Energy: 0.9000951863961794
Energy: 0.9956812699903653
Energy: 0.8617597532184317
Energy: 0.857537141673998
Energy: 0.8629409736448828
Energy: 0.9295787423148691
Energy: 0.8768780347115878
Energy: 0.900343689024317
Energy: 0.8667526453490395
Energy: 0.864038288937657
Energy: 0.9294786338255973
Energy: 0.8787891248888083
Energy: 0.9007477676640586
Energy: 0.8587273608607914
Energy: 0.8753413211383223
Energy: 0.8565798058088178
Energy: 0.8695621564099756
Energy: 0.9003168865364938
Energy: 0.8640395945800564
Energy: 0.8732972468506017
Energy: 0.8563653279626648
Energy: 0.8693268141807012
Energy: 0.9037147991656744
Energy: 0.8304641248307058
Energy: 0.9010520547006486
Energy: 0.8569054541362272
Energy: 0.8558446076661191
Energy: 0.8690759642397816
Energy: 0.9148530719674292
Energy: 0.8727459806905736
Energy: 0.8568785269092629
Energy: 0.8560677610880599
Energy: 0.8377160765137839

minimum gb energy = 0.8302565993368451 eV
minimum distance =  2.628750235755 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.7936458354254405
Energy: 0.8281460375983744
Energy: 0.8309016268402994
Energy: 0.8959277516452391
Energy: 0.7974067592502002
Energy: 0.79625956176983
Energy: 0.8284809355913787
Energy: 0.8288972981091787
Energy: 0.8932047866648021
Energy: 0.8017094586113767
Energy: 0.9227763927241703
Energy: 0.8228110202852816
Energy: 0.8205826954407429
Energy: 0.8317331276011709
Energy: 0.8913336373104134
Energy: 0.8846745107533516
Energy: 0.8235604211275827
Energy: 0.8357616110826243
Energy: 0.8309532865973271
Energy: 0.8915578431934619
Energy: 0.8313584243596501
Energy: 0.8243372077370444
Energy: 0.8250772589184701
Energy: 0.8271326819874488
Energy: 0.8873837841597333
Energy: 0.8289803207944383
Energy: 0.8274021506874313
Energy: 0.8240311234146672
Energy: 0.8297095431560211
Energy: 0.8866859760978902
Energy: 0.8354178412907801
Energy: 0.8018781818894976
Energy: 0.8004429458772254
Energy: 0.8311665932192226
Energy: 0.8253547852423531
Energy: 0.8349803206951999
Energy: 0.8007659828163337
Energy: 0.8013666091102398
Energy: 0.8300890386617686
Energy: 0.8005802897247689
Energy: 0.8260835105141421
Energy: 0.8008452116048613
Energy: 0.7975868663079219
Energy: 0.8859668255404808
Energy: 0.8285951402158142
Energy: 0.828526052908531
Energy: 0.8006646646067404
Energy: 0.7980883627902705
Energy: 0.8283293146329294
Energy: 0.8293493849575891
Energy: 0.8259973060220317
Energy: 0.8328114684248158
Energy: 0.8290663925905557
Energy: 0.8241924516740001
Energy: 0.8345774663115268
Energy: 0.8260306790874022
Energy: 0.917861407492693
Energy: 0.8225672840066787
Energy: 0.8255655777343515
Energy: 0.8338574768116161
Energy: 0.8296121246602856
Energy: 0.8013551350204342
Energy: 0.827275829133257
Energy: 0.8236253294969234
Energy: 0.8275331494413486
Energy: 0.8279039145507795
Energy: 0.8005578642034087
Energy: 0.8278938715999304
Energy: 0.8235931045710988
Energy: 0.8319924529429321
Energy: 0.8911591997219787
Energy: 0.8787395031385203
Energy: 0.8314251463902504
Energy: 0.7971348795318498
Energy: 0.8012592995542075
Energy: 0.8936094222775158
Energy: 0.9256269371472794
Energy: 0.8286522570247312
Energy: 0.7969774618677136
Energy: 0.8008276134921923
Energy: 0.8230438290434331
Energy: 0.8369587488008492
Energy: 0.8323782217826454
Energy: 0.7997788834386679
Energy: 0.827028656366199
Energy: 0.8228745863748569
Energy: 0.8315772141244254
Energy: 0.8309243305639524
Energy: 0.7988313006387487
Energy: 0.8302001107363959
Energy: 0.8257345261176029
Energy: 0.8247967473963951
Energy: 0.9232192278670152
Energy: 0.9226547918260009
Energy: 0.8965573742084438
Energy: 0.8270901607528801
Energy: 0.8262664643958555
Energy: 0.9233102528746773
Energy: 0.8988264979256358
Energy: 0.8282775510023167
Energy: 0.8016172113729508
Energy: 0.8250961827779241
Energy: 0.8963023114931389
Energy: 0.8271516387601019
Energy: 0.829610536132906
Energy: 0.8035590598429856
Energy: 0.8258881341122792
Energy: 0.8002026059131022
Energy: 0.8293999280885346
Energy: 0.8278682883700573
Energy: 0.7938426045004707
Energy: 0.8282493165771521
Energy: 0.8186773128537872
Energy: 0.8958136229118815
Energy: 0.8017303882094708
Energy: 0.7949287626219694
Energy: 0.8287289619744095
Energy: 0.8836797710663483
Energy: 0.8929024301243228
Energy: 0.8013880586167733
Energy: 0.8860552191472263
Energy: 0.8226662574876826
Energy: 0.8205334757958728
Energy: 0.8319608771247747
Energy: 0.891564820466265
Energy: 0.8847310336477017
Energy: 0.8233248289288392
Energy: 0.8358607924603013
Energy: 0.8314627882993754
Energy: 0.8925240347720702
Energy: 0.8309471996527091
Energy: 0.8278236252037264
Energy: 0.8253550546047074
Energy: 0.8220253257410111
Energy: 0.8827230531938233
Energy: 0.8288223272350295
Energy: 0.8296565337648425
Energy: 0.8241721277666304
Energy: 0.822589052162053
Energy: 0.8865072812418376
Energy: 0.824565163027539
Energy: 0.8013764225094068
Energy: 0.8004810785057201
Energy: 0.829257963381361
Energy: 0.8295035945227548
Energy: 0.8294101462807585
Energy: 0.7997952096965218
Energy: 0.8014208572593562
Energy: 0.8311115635912737
Energy: 0.8249840064830459
Energy: 0.8307558444974392
Energy: 0.8010093911710963
Energy: 0.797486519541483
Energy: 0.8861634524659021
Energy: 0.8292550186380709
Energy: 0.8321011468003047
Energy: 0.8006443395400845
Energy: 0.7977715036502538
Energy: 0.8267113724608621
Energy: 0.8293913222928607
Energy: 0.8263362472170832
Energy: 0.8250663162076386
Energy: 0.8272926349610684
Energy: 0.8238359758631552
Energy: 0.8348953676441287
Energy: 0.8259297978921951
Energy: 0.9196467340681906
Energy: 0.8223179858419472
Energy: 0.8255117865129634
Energy: 0.8340618845107239
Energy: 0.8314588906123618
Energy: 0.8013528736275093
Energy: 0.8260093923385675
Energy: 0.8233533381697647
Energy: 0.8821567111704303
Energy: 0.8299033060216997
Energy: 0.8006886523929035
Energy: 0.8258357422218271
Energy: 0.8238608391548101
Energy: 0.8288223713460087
Energy: 0.8924845455748154
Energy: 0.8830108720906921
Energy: 0.8321993785215075
Energy: 0.7972509962384673
Energy: 0.8007775570542384
Energy: 0.8949092487393198
Energy: 0.924190589136955
Energy: 0.8289043907167225
Energy: 0.796966263890366
Energy: 0.8013355250827038
Energy: 0.8226692681261013
Energy: 0.8363927238566963
Energy: 0.8299422655356944
Energy: 0.7995892058148399
Energy: 0.8273716978730583
Energy: 0.8222833954713767
Energy: 0.8319403932871643
Energy: 0.8292449439154934
Energy: 0.7990879200504196
Energy: 0.8289756578141821
Energy: 0.8254291663723743
Energy: 0.8246772753213698
Energy: 0.9234285269653079
Energy: 0.9280278767447326
Energy: 0.8965479923018568
Energy: 0.8272180807558136
Energy: 0.8260925944785829
Energy: 0.8836053398979579
Energy: 0.8976603196874031
Energy: 0.827727241993972
Energy: 0.801896404092295
Energy: 0.826519207999942
Energy: 0.8964834221815001
Energy: 0.8269302035062471
Energy: 0.88592526995482
Energy: 0.8006942568999925
Energy: 0.8259952147910312
Energy: 0.8002220943558123
Energy: 0.8279615416508407
Energy: 0.885175233362603

minimum gb energy = 0.7936458354254405 eV
minimum distance =  2.65741099921856 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.3973373700296514
Energy: 0.9150503609759545
Energy: 0.9028982442404319
Energy: 0.836680711283514
Energy: 0.9735942707339468
Energy: 0.9656108985386297
Energy: 0.9523734202283524
Energy: 0.9045591424112922
Energy: 0.8468428073482077
Energy: 0.9543680122432414
Energy: 0.8417277760518157
Energy: 0.9122820621729609
Energy: 0.8591427104222182
Energy: 0.8588448934293895
Energy: 0.8605477110739617
Energy: 0.8313516586133405
Energy: 0.891425603036057
Energy: 0.8575976757026826
Energy: 0.8927929730619214
Energy: 0.9204175251189148
Energy: 0.9509894645839198
Energy: 0.859788778383422
Energy: 0.8938475477526082
Energy: 0.9047836171387085
Energy: 0.958545007570586
Energy: 0.9813421613992226
Energy: 0.8825936418787121
Energy: 0.8333550153674274
Energy: 0.8906763470632018
Energy: 0.9456873307790331
Energy: 0.8884146331662968
Energy: 0.8795885657242536
Energy: 0.9273070080405058
Energy: 0.9805568529188051
Energy: 0.963696835467891
Energy: 0.9026929010077012
Energy: 0.8740989891226103
Energy: 0.9265988858750446
Energy: 0.9651780505706676
Energy: 0.9457081860803499
Energy: 0.9747893084180086
Energy: 0.9294339409976666
Energy: 0.8289735721597953
Energy: 0.8412567594070184
Energy: 0.8543341289284463
Energy: 0.9591493653716151
Energy: 0.8267640536640986
Energy: 0.8247120258241826
Energy: 0.8406485397385037
Energy: 0.8234975305051534
Energy: 0.887950843528639
Energy: 0.8358369185043787
Energy: 0.8377390089341634
Energy: 0.9572924308246197
Energy: 1.012318556443434
Energy: 0.8896206607924834
Energy: 0.8368438117917311
Energy: 0.8371306668223263
Energy: 1.007199984938052
Energy: 1.0714995009385357
Energy: 0.84184827601797
Energy: 0.8352862762544505
Energy: 0.8505164148139693
Energy: 0.8665711114390259
Energy: 0.9070237915071869
Energy: 0.8410193417661613
Energy: 0.8337438131238012
Energy: 0.8685449118229004
Energy: 0.8863800131627807
Energy: 0.9154846878844486
Energy: 0.8411484051782049
Energy: 0.836763720264465
Energy: 0.8416651457569776
Energy: 0.8330956246473471
Energy: 0.9360677406375039
Energy: 0.8415158088481933
Energy: 0.8370766842283995
Energy: 0.8604441786705657
Energy: 0.8833042749145636
Energy: 0.9355703681161818
Energy: 0.8348466215638747
Energy: 1.0156920767986055
Energy: 0.9138875717603855
Energy: 0.8850111932937905
Energy: 0.849617016561231
Energy: 0.8347035256578555
Energy: 1.0164859992568345
Energy: 0.900480467921856
Energy: 0.9476478244450447
Energy: 0.8489620641623004
Energy: 0.9234747422509584
Energy: 0.8305827976326977
Energy: 0.8415580179881155
Energy: 0.8431805456009361
Energy: 0.8477320530248444
Energy: 0.8412363925654711
Energy: 0.8325047713706355
Energy: 0.8452863827561239
Energy: 0.8507256886877926
Energy: 0.8569764697164075
Energy: 0.8970555258911003
Energy: 0.8900079854329653
Energy: 0.8496771625001046
Energy: 0.8434503413310895
Energy: 0.8462707422437227
Energy: 0.9050923783994905
Energy: 0.9086335392307734
Energy: 0.8610289777954582
Energy: 0.8509154665845432
Energy: 0.8552132885710978
Energy: 0.9522971369848466
Energy: 0.8942551239414726
Energy: 0.8501151454730657
Energy: 0.826460196029896
Energy: 0.9580957662851776
Energy: 0.9525498405587403
Energy: 0.8936947865474769
Energy: 0.8463608822641357
Energy: 0.8258238850999989
Energy: 0.9561016089921079
Energy: 0.9088376579245245
Energy: 0.8501308574976922
Energy: 0.8630460411472931
Energy: 0.9238151617600291
Energy: 0.9203929338923758
Energy: 0.9085548688331391
Energy: 0.8751447698488626
Energy: 0.829657672747189
Energy: 0.9153467649261747
Energy: 0.9345691498431573
Energy: 0.8586122915213211
Energy: 0.9167617031020728
Energy: 0.8285876294205123
Energy: 0.905025417632264
Energy: 0.8550320556790674
Energy: 0.859194324967984
Energy: 0.8886625726836824
Energy: 0.8214071831083026
Energy: 0.8899038882316501
Energy: 0.8548033481001927
Energy: 0.8337811991620374
Energy: 0.893101271129465
Energy: 0.9573296650709046
Energy: 0.9732000481908303
Energy: 0.9025565696751596
Energy: 0.8460672346998472
Energy: 0.898699522339449
Energy: 0.9657031034049344
Energy: 0.85158563230429
Energy: 0.9274491830488545
Energy: 1.0076531331469283
Energy: 0.9595188825240899
Energy: 0.8451797528863557
Energy: 0.8990336672441868
Energy: 0.9046631419424883
Energy: 1.0244893185058295
Energy: 0.9661427950296169
Energy: 0.8980499427824217
Energy: 0.9070808542788636
Energy: 0.8242207047510669
Energy: 0.8281818182444007
Energy: 0.9155171115655849
Energy: 0.8500218393808451
Energy: 1.0126215641509912
Energy: 0.91037733621162
Energy: 0.8295040179563612
Energy: 0.9298007046223172
Energy: 1.0303929313229223
Energy: 0.9879072613563917
Energy: 0.9085244669426052
Energy: 0.95735607117729
Energy: 0.9925781954360943
Energy: 0.9853163764216603
Energy: 0.8414297531191097
Energy: 0.8427661996858306
Energy: 1.0022803111908325
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Energy: 0.9868947051828321
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Energy: 0.8421559354733386
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Energy: 0.917505325662361
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Energy: 0.9596327122019782
Energy: 1.0170581885425949
Energy: 0.8394119207882167
Energy: 0.8569606967289907
Energy: 0.8507354864752933
Energy: 0.9086545291657092
Energy: 1.0144673935229531
Energy: 0.8394985302445671
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Energy: 0.8502223891985414
Energy: 0.8575435312876645
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Energy: 0.8601461541433938
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Energy: 0.9613719859359026
Energy: 0.9595576972820847
Energy: 0.9835893295024144
Energy: 0.8305417269788838
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Energy: 0.8975158939569292
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Energy: 0.9230570186182409
Energy: 0.8402731172694361
Energy: 0.857503931256112
Energy: 0.89770094560129
Energy: 0.9869320102978953
Energy: 0.9829258224379397
Energy: 0.8787359371516043
Energy: 0.8969364722150232
Energy: 0.8813516119602772
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Energy: 0.9836486775182087
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Energy: 0.8997803333389615
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Energy: 0.9572443293168681
Energy: 0.9035704434829924
Energy: 0.9318138637462287
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Energy: 0.884519925301145
Energy: 0.886593253361329
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Energy: 0.8898024252424628
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Energy: 0.8376488529887665
Energy: 0.8400193578051149
Energy: 1.0083104041651563
Energy: 1.0148193549885067
Energy: 0.9345309887470308
Energy: 0.837398853732873
Energy: 0.838719692484883
Energy: 0.9905455140264973
Energy: 1.0708946782706503
Energy: 0.8428736035994504
Energy: 0.8360576271813612
Energy: 0.8418895014608608
Energy: 0.8880147822920831
Energy: 0.9426039572338012
Energy: 0.841673648111466
Energy: 0.8365537698473875
Energy: 0.8385149639405598
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Energy: 0.942924810692439
Energy: 0.8438236367555773
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Energy: 0.8303336057362092
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Energy: 0.8449196979481668
Energy: 0.8656990506214819
Energy: 0.9107488531443129
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Energy: 0.8423526745886568
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Energy: 0.8505163785504793
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Energy: 0.9123635510333825
Energy: 0.8744568238478061
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Energy: 0.9810083220355903
Energy: 0.8732698343758776
Energy: 0.8510664793864992
Energy: 0.8567324338477474
Energy: 0.858944455061006
Energy: 0.8233740078426445
Energy: 0.8786864018688684
Energy: 0.8436026472724815
Energy: 0.8488170441786578
Energy: 0.8949751341588321
Energy: 0.8616833047535264
Energy: 0.8561546376352926
Energy: 0.850376280875071
Energy: 0.855616531141472
Energy: 0.9043468744516117
Energy: 0.8714986145524778
Energy: 0.8634078965115121
Energy: 0.8415711730016971
Energy: 0.8484695761888543
Energy: 0.9524254270554781
Energy: 0.9109916499126178
Energy: 0.826396566243333
Energy: 0.8262182145145034
Energy: 0.8573185254475479
Energy: 0.9526766148979203
Energy: 0.887900665367472
Energy: 0.8366410084529237
Energy: 0.831701467393439
Energy: 0.8536095426819462
Energy: 0.904829256492806
Energy: 0.8287353276977572
Energy: 0.8312468148956483
Energy: 0.8300513389398377
Energy: 0.8946061136457394
Energy: 0.9184185599665288
Energy: 0.8419756504231763
Energy: 0.830022063635809
Energy: 0.8295596690631946
Energy: 0.9170244049439011
Energy: 0.8562507930792576
Energy: 0.8946550406394067
Energy: 0.9673416882853919
Energy: 0.8343915242003108
Energy: 0.8404614148677148
Energy: 0.8567987790417086
Energy: 0.9200490344521816
Energy: 0.8486958874926531
Energy: 0.8445916282017617
Energy: 0.8666142682410674
Energy: 0.8886905757409644
Energy: 0.9043628798271371
Energy: 0.9654752462927015
Energy: 0.8630517112607101
Energy: 0.9290655147412564
Energy: 0.848243796921605
Energy: 0.895668442511567
Energy: 0.9588292600164422
Energy: 0.8608010773717949
Energy: 0.8992854984014301
Energy: 0.9459349248174825
Energy: 0.9673968928263803
Energy: 0.8571370792665077
Energy: 0.864154876614189
Energy: 0.8842838919246775
Energy: 0.9870968721382255
Energy: 0.9571309170392144
Energy: 0.8448438100078313
Energy: 0.9741415632752776
Energy: 0.822963070429492
Energy: 0.8726091219081594
Energy: 0.9375851424375632
Energy: 0.8917011613911039
Energy: 0.9149412484188909
Energy: 0.9087461719701599
Energy: 0.8279652451491966
Energy: 0.9384943359847115
Energy: 0.8343564370905079
Energy: 0.9924996787722279
Energy: 0.8813912536002193
Energy: 0.9586222579631517
Energy: 0.9904575126297601
Energy: 0.9851511459123786
Energy: 0.92554628142738
Energy: 0.8428360394051331
Energy: 1.022009204481518
Energy: 0.9879190322733357
Energy: 0.9868918531258551
Energy: 0.9234370124849061
Energy: 0.8420385095890359
Energy: 0.8346455399864956
Energy: 0.9668626478735398
Energy: 0.8464195071489433
Energy: 0.8381189518097716
Energy: 0.8434815054557617
Energy: 0.8371593957906601
Energy: 0.964319340619736
Energy: 0.8411377594353286
Energy: 0.8360476409041786
Energy: 0.8419205580135349
Energy: 0.8434433898146165
Energy: 0.9120356454907547
Energy: 0.9091520634577939
Energy: 0.8367437286324156
Energy: 0.8430177324795697
Energy: 0.8301710560660785
Energy: 0.9130779588848964
Energy: 0.8788562294069655
Energy: 0.8355597847033148
Energy: 0.843429599941723
Energy: 0.9526064585467646
Energy: 0.8580378238950567
Energy: 0.8599014996306494
Energy: 0.8353670165087823
Energy: 0.9198658065125522
Energy: 0.9367601690180437
Energy: 0.8306309877004782
Energy: 0.9015793081387278
Energy: 0.8431541604211923
Energy: 0.9025737158836675
Energy: 0.8436352790568414
Energy: 0.8369256166618281
Energy: 0.892443866989663
Energy: 1.0133210165962188
Energy: 0.836749659207321
Energy: 0.8576672561909955
Energy: 0.8536308476985089
Energy: 0.9099852160606922
Energy: 1.0123856103081135
Energy: 0.8317371763205414
Energy: 0.8433609423173115
Energy: 0.8368704049301915
Energy: 0.8421605880351644
Energy: 0.8371814344020707
Energy: 0.8499137763906928
Energy: 0.8563857752737992
Energy: 0.8515925129778384
Energy: 0.8590653430716279
Energy: 0.8834930653034129
Energy: 0.8456986349342246
Energy: 0.8518968297668517
Energy: 0.8336265385219261
Energy: 0.9627304250291966
Energy: 0.9613451433153067
Energy: 0.9088085459633796
Energy: 0.8305361744573371
Energy: 0.8600059429539539
Energy: 0.9597051043338656
Energy: 0.8927236687721438
Energy: 0.8723051260952376
Energy: 0.9231073359542598
Energy: 0.942709212198933
Energy: 0.8939804677639305
Energy: 0.8393226893308804
Energy: 0.8201924128083701
Energy: 0.8294826717065632
Energy: 0.9193666792681381
Energy: 0.9512697894308887
Energy: 0.8900196087752351
Energy: 0.8237906274767293

minimum gb energy = 0.8194534878183206 eV
minimum distance =  2.60889101575484 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.115292680859873
Energy: 0.845700077400482
Energy: 0.8945795101713729
Energy: 0.7850440424222259
Energy: 0.7915611160208456
Energy: 1.1153742456630262
Energy: 0.8453117168380803
Energy: 0.9110764272024652
Energy: 0.7839027128172118
Energy: 0.8805298007558547
Energy: 0.7824251870832528
Energy: 0.8355865653978138
Energy: 0.8068950713581018
Energy: 0.9363916561156586
Energy: 0.8021197177466098
Energy: 0.8711078453770316
Energy: 0.8354806634815614
Energy: 0.8146712094372546
Energy: 0.9000317900550031
Energy: 0.8022363551678403
Energy: 0.8699493263354692
Energy: 0.8802885056962078
Energy: 0.8379413355340798
Energy: 0.8018791721803192
Energy: 0.854472899261418
Energy: 0.8691767144477436
Energy: 0.8780384169779599
Energy: 0.8383192427832895
Energy: 0.8015660958692802
Energy: 0.8540846034788561
Energy: 0.7998783615439452
Energy: 0.8015515023728927
Energy: 0.895535827286167
Energy: 0.8712330893110781
Energy: 0.854334551630768
Energy: 0.8006530330496955
Energy: 0.7998039963057724
Energy: 0.894823912152193
Energy: 0.8721647804307204
Energy: 0.8542798840809703
Energy: 0.8711572038772617
Energy: 0.8964290679078976
Energy: 0.7997941430660771
Energy: 0.8047732241454573
Energy: 0.854320273883271
Energy: 0.8200784438282086
Energy: 0.8927322918532785
Energy: 0.799440267624914
Energy: 0.8203576801905874
Energy: 0.7868248728104111
Energy: 0.8051032442680224
Energy: 0.8024141504355988
Energy: 0.782070731255361
Energy: 0.8228013387051547
Energy: 1.1183402635063384
Energy: 0.8052572513809461
Energy: 0.801857417828179
Energy: 0.7814645032694609
Energy: 0.8189907642561937
Energy: 1.118017364290163
Energy: 0.8752261394810387
Energy: 0.8038891136991126
Energy: 0.8551903922670859
Energy: 0.8035542126964197
Energy: 0.816083488478104
Energy: 0.8697959718278273
Energy: 0.8034794809313596
Energy: 0.8563699631350636
Energy: 0.8038065526542549
Energy: 0.9038473514354929
Energy: 0.8800021503080361
Energy: 0.8048202083898054
Energy: 0.802888553767926
Energy: 0.8188633241190445
Energy: 0.9013124413399811
Energy: 0.8803394811764312
Energy: 0.8595378615831941
Energy: 0.8026735967038232
Energy: 0.8040711850671203
Energy: 0.9018889091754012
Energy: 0.7987943220462365
Energy: 0.8937074989357553
Energy: 0.8440725298297351
Energy: 0.8968452001200816
Energy: 0.799991185970107
Energy: 0.797893608058662
Energy: 0.8934779859706999
Energy: 0.8446566596180105
Energy: 0.8289143060170673
Energy: 0.7993814114522819
Energy: 0.7840554371360489
Energy: 0.7963284494144142
Energy: 0.7921056842145494
Energy: 0.7877745786926814
Energy: 0.9037218452751766
Energy: 0.8671837437978274
Energy: 0.7968502208372666
Energy: 0.803381220348873
Energy: 0.7867771010937602
Energy: 0.8490146918564714
Energy: 0.7821918516485726
Energy: 0.7824515181875553
Energy: 0.8446342597935631
Energy: 0.8511730412341793
Energy: 0.7869011683623208
Energy: 0.7819389616655847
Energy: 0.7822414780932972
Energy: 0.8454847120708822
Energy: 0.8517002186381636
Energy: 0.8025592308363997
Energy: 0.7809693094304815
Energy: 0.7821988842680461
Energy: 0.7846930521732655
Energy: 0.8917447563855619
Energy: 0.7845000033338733
Energy: 0.7801724158947482
Energy: 0.7845215695495238
Energy: 0.7848030969578945
Energy: 0.932555968373317
Energy: 0.7834118505075145
Energy: 0.7827855861316819
Energy: 0.7906418919948074
Energy: 0.8007634340084232
Energy: 0.8371645667391733
Energy: 0.7826435900419226
Energy: 0.7832121236752342
Energy: 0.8029166919115686
Energy: 0.7987745349652656
Energy: 0.8353800798665755
Energy: 0.7835432425207982
Energy: 0.9294517861582909
Energy: 0.7861588201391279
Energy: 0.8694933364377433
Energy: 0.8033552215562182
Energy: 0.7867668615725802
Energy: 0.9287171973130368
Energy: 0.8462772157390329
Energy: 0.9037562427946237
Energy: 0.8017699585841768
Energy: 0.8049853006751413

minimum gb energy = 0.7801724158947482 eV
minimum distance =  2.69286288464769 Angstroms
sigma value = 33