Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098513007164
cohesive_energy=4.242432871230321
mass=55.845
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.73183642732292e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018552585859700238
Energy: 0.10885181904299104
Energy: 0.11136373571825606
Energy: 0.11073073904896705
Energy: 0.0232037228314149
Energy: 0.019906053092872765
Energy: 0.10809819653611753
Energy: 0.11217173099260971
Energy: 0.10991512403715768
Energy: 0.02250432440344015
Energy: 0.10862726043053207
Energy: 0.11608214288951559
Energy: 0.11035396867019148
Energy: 0.11319091168184477
Energy: 0.11179255933218298
Energy: 0.1090612271669825
Energy: 0.11557367833681383
Energy: 0.10805870502318429
Energy: 0.11365961243525227
Energy: 0.11089926802825706
Energy: 0.11094403404159006
Energy: 0.025384338345813048
Energy: 0.019038721799610154
Energy: 0.10885730745387343
Energy: 0.11023793362265855
Energy: 0.11019178336881397
Energy: 0.02431161246183113
Energy: 0.018987204622955087
Energy: 0.1088255042582022
Energy: 0.11127344501729713
Energy: 0.11173995398606928
Energy: 0.020339835912550546
Energy: 0.020012798710973095
Energy: 0.11417069774331068
Energy: 0.10925854937624621
Energy: 0.11077875381643128
Energy: 0.020115951388468473
Energy: 0.019481523707054433
Energy: 0.1123645301402583
Energy: 0.109174101916792
Energy: 0.11126244107897787
Energy: 0.10998590112889474
Energy: 0.11227274789674634
Energy: 0.026262973817259835
Energy: 0.019948232820284406
Energy: 0.11042982756777692
Energy: 0.11018307741380483
Energy: 0.11170859529233985
Energy: 0.024910420979924335
Energy: 0.11452635611280357
Energy: 0.111798554433366
Energy: 0.10870437760628059
Energy: 0.10990699351302116
Energy: 0.019508673104716566
Energy: 0.027851602770768497
Energy: 0.11291939772142291
Energy: 0.10798505040929526
Energy: 0.11026730764829748
Energy: 0.02008387730809022
Energy: 0.019625859930586177
Energy: 0.028465096868881493
Energy: 0.11275036582674694
Energy: 0.11146099878225924
Energy: 0.10860681603563951
Energy: 0.11401916407203444
Energy: 0.02689605637133161
Energy: 0.11406059374210041
Energy: 0.11100419729583183
Energy: 0.1092616722998548
Energy: 0.11310231761281533

minimum gb energy = 0.018552585859700238 eV
minimum distance =  2.51020208602442 Angstroms
sigma value = 3


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

Energy: -0.5279071393391177
Energy: -0.3329400682854163
Energy: 0.635344277001303
Energy: -0.3261747179256549
Energy: -0.32621676431731955
Energy: -0.2561384972428549
Energy: -0.6483283056279878
Energy: -0.39820963691103506
Energy: 0.012450303028083386
Energy: -0.13417467025502233
Energy: 0.6823241468537817
Energy: 1.0109223768236302
Energy: -0.3155379517645064
Energy: -0.31519612981381206
Energy: 0.37474017986472696
Energy: 0.6753221286103117
Energy: 0.7289672655959373
Energy: 0.01116714770486058
Energy: 0.7756242395710237
Energy: 0.806835041337927
Energy: 0.28494358555557453
Energy: 0.18785010726008164
Energy: 0.9405673057462671
Energy: -0.5554576078784879
Energy: 0.37735237134907273
Energy: 0.39509268242493534
Energy: 0.8579323714123803
Energy: 0.9400520935518638
Energy: 0.3976753760508804
Energy: 0.5742079848493884
Energy: 0.39483409032476896
Energy: -0.8159252637887342
Energy: 0.8976900824382748
Energy: 0.3978219642498708
Energy: 0.3799888991729609
Energy: 0.39693958691927345
Energy: -0.2240722350268399
Energy: 0.9030613743932078
Energy: 0.6350518117808333
Energy: 0.38742555347303187
Energy: 0.8906667262443555
Energy: 0.9292708872785814
Energy: 0.6650661424912391
Energy: 0.9724654685856188
Energy: 0.7868120915303528
Energy: 0.7308417268146351
Energy: 0.7364993856046216
Energy: -1.0212377270164703
Energy: 0.8839933093908964
Energy: 0.14792774935428443
Energy: 0.7879470526300525
Energy: 0.773440093693598
Energy: 0.8062537372889782
Energy: 0.7836679845353732
Energy: 0.794087359661763
Energy: 0.7818991587084101
Energy: 0.7734048263091686
Energy: 0.16964674675670666
Energy: 0.5950234172848804
Energy: 0.9324608979031485
Energy: 0.821436785538468
Energy: 0.913121056015855
Energy: 0.7665908698940783
Energy: 0.7018695818043681
Energy: 0.780716661278094
Energy: 0.7226088919300168
Energy: 0.879006560841898
Energy: 0.7221204159579377
Energy: 0.584890019567551
Energy: 0.7011341076041535
Energy: 0.8261671693552514
Energy: 0.7438640017030557
Energy: 0.7988894621390721
Energy: 0.7816144997650571
Energy: 0.7582080501191104
Energy: 0.7358754720809806
Energy: 0.6893606730103198
Energy: 0.7036991412953271
Energy: 0.6977495442284788
Energy: 0.69793151037766
Energy: 1.0220519599419382
Energy: 0.7905442293968571
Energy: 0.6582605888356883
Energy: 0.9620794008509329
Energy: 0.7055960761358395
Energy: 0.745489022053422
Energy: -0.16058048709062286
Energy: 0.5853953311707837
Energy: 0.9081460762230293
Energy: -0.20723466797973913
Energy: 0.905679730816274
Energy: 0.5981398570749653
Energy: 0.5944228660173108
Energy: 0.698518824517237
Energy: 0.8668344835036644
Energy: -0.4626449010854636
Energy: -0.8924507502452074
Energy: 0.5940013037849864
Energy: 0.6551628518380085
Energy: 0.6429123225877128
Energy: 0.6593230047054177
Energy: 0.8187914504307836
Energy: 0.8019040155994116
Energy: 0.6243036846016682
Energy: 0.6484864514461046
Energy: 0.7434142154255748
Energy: 0.5824433841585159
Energy: 0.7609131164136466
Energy: 0.6460577803352684
Energy: 0.6425819125274888
Energy: 0.6043601685646
Energy: 0.5935359569274778
Energy: -0.8887994697493391
Energy: 0.8501504565477523
Energy: 0.7264400451465688
Energy: 0.9287548355921023
Energy: 0.5935691936802285
Energy: 0.7446635704558541
Energy: -0.4040247464160934
Energy: 0.7747372323577986
Energy: 0.6645496984000951
Energy: 0.618586118655646
Energy: 0.04596283641148985
Energy: 0.7781746989562657
Energy: 0.7675240110483023
Energy: 0.9969651595700652
Energy: 0.8968349625043323
Energy: -0.15775308039675143
Energy: 0.7518416910690544
Energy: 0.7689178826585595
Energy: 0.5940230549473183
Energy: 0.5858443031391233
Energy: 0.7347565901385193
Energy: 0.6982470837047706
Energy: 0.8478755727017954
Energy: -0.22215995203677702
Energy: 0.7706592298237307
Energy: 0.7826889208717159
Energy: 0.9541669889667895
Energy: 0.8873449042118279
Energy: 0.6752225918323181
Energy: 0.6786772563852383
Energy: 0.7083279413219047
Energy: 0.6968911148899566
Energy: 0.7846744782670337
Energy: 0.6769197470048615
Energy: 0.6957984006073239
Energy: 0.6972174062279876
Energy: 0.6794554472631666
Energy: 0.6813425438808074
Energy: 0.5942877956813498
Energy: 0.6720679416710115
Energy: 0.6990366508913033
Energy: 0.7375890845734936
Energy: 0.736981293765867
Energy: 0.6272785682143357
Energy: 1.0113841765539846
Energy: 0.7212916593656358
Energy: 0.6933795283985567
Energy: 0.5836843440304207
Energy: -0.3072006109985605
Energy: 0.8511428028337439
Energy: -0.11402312171184883
Energy: 0.4854587076361253
Energy: 0.7901804607462785
Energy: 0.8356103426948905
Energy: 0.9058586512201325
Energy: 0.8691483394970637
Energy: 0.0600772064952735
Energy: 0.592219052648286
Energy: 0.6025354305963668
Energy: 0.6739586742984706
Energy: 0.8994014386737397
Energy: 0.6444257118786836
Energy: 0.5783480217524202
Energy: 0.5369658184015834
Energy: -0.16080981161934785
Energy: 0.9018752700221068
Energy: 0.4951715849070772
Energy: 0.6312669941326929
Energy: 0.7681139350684072
Energy: 1.0177679301932172
Energy: 0.7726075908256541
Energy: 0.7112315385172605
Energy: 0.5799668751065638
Energy: 0.8469898969274902
Energy: 0.6342393111342514
Energy: 0.14516176242130882
Energy: 0.7625711600499545
Energy: 0.7058316731069543
Energy: 0.7678372882518799
Energy: -0.7081482667163446
Energy: 0.6332536716122693
Energy: 0.5975087161311823
Energy: 0.7635178432611515
Energy: 0.7679490896601512
Energy: 0.7672298463117553
Energy: 0.7749176175512514
Energy: -0.20860474831996575
Energy: 0.6628090456213817
Energy: 0.9498286749753977
Energy: -1.2647903782938357
Energy: 0.7113736319825718
Energy: 0.5858657631836947
Energy: 0.7708031851512138
Energy: 0.8899229883246819
Energy: 0.20304516937502945
Energy: 0.7700109181607697
Energy: 0.703959905928697
Energy: 0.8535901753985218
Energy: 0.8333784583058174
Energy: 0.6907787416187463
Energy: 0.9444864618442209
Energy: 0.8886793442088112
Energy: 0.6740413229856808
Energy: 0.7942680102973921
Energy: 0.6983851452852449
Energy: 0.9890555488991901
Energy: 0.8781015895246694
Energy: 0.6843497157727897
Energy: 0.8287599221091373
Energy: -0.3435215186186188
Energy: 0.5832066463798006
Energy: 0.9267677106530469
Energy: 0.677546128047372
Energy: 0.7845870311756912
Energy: 0.7513917772254668
Energy: 0.6786013351154481
Energy: 0.7267972423937012
Energy: 0.7407639375433723
Energy: 0.8209730784363095
Energy: 0.44229069692774003
Energy: 0.5910578451598612
Energy: 0.6745328035420052
Energy: 0.6421040964087786
Energy: -0.6825307224700408
Energy: 0.775014582066795
Energy: 0.5854006276329758
Energy: 0.7754648152216852
Energy: 0.6424858784659945
Energy: -0.06689539998271
Energy: 0.5900859184117959
Energy: 0.6840824644801493
Energy: -0.6898660439516308
Energy: 0.6473422110419429
Energy: 0.6816408746260985
Energy: 0.5908511600554635
Energy: 0.5931102479493555
Energy: 0.7976101221608819
Energy: 0.6423782859335598
Energy: 0.5883819949625648
Energy: 0.5932636509858367
Energy: 0.7632620782611299
Energy: 0.8129564446878903
Energy: -0.3365294405987376
Energy: 0.6039029815678814
Energy: 0.3763838296480694
Energy: 0.8693765646746184
Energy: 1.021526870317216
Energy: 0.8038878122835251
Energy: 0.00592419829852968
Energy: -0.07254268202927458
Energy: 0.6770396848450682
Energy: 0.7672052494494996
Energy: 0.7686078371578358
Energy: 0.597454003177974
Energy: 0.6400500827612245
Energy: 0.008469196856950684
Energy: 0.7485099023215399
Energy: 0.767115260521398
Energy: 0.6809182206153154
Energy: 0.7481639383526382
Energy: -0.32109465140270294
Energy: -0.8962227558299888
Energy: -0.6463825723510741
Energy: 0.37017890012293236
Energy: 0.3816370699402168
Energy: 0.11756040793457681
Energy: 0.856404595399927
Energy: 0.8379929255601685
Energy: -0.04635275107409094
Energy: -0.24947334844721625
Energy: -0.32512378009511556
Energy: -0.6470066208139844
Energy: -0.33254688748229894
Energy: -0.5270902250222256
Energy: -0.32988995058251314
Energy: 0.6857551518410087
Energy: -0.39018610219358213
Energy: -0.9065538429557216

minimum gb energy = -1.2647903782938357 eV
minimum distance =  2.36005069661588 Angstroms
sigma value = 75


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

Energy: 2.3553333826072866
Energy: 0.8225169690951415
Energy: 0.8258162637764755
Energy: 0.8464982618831997
Energy: 0.8034071745201914
Energy: 0.9178210322068887
Energy: 0.8518960581557452
Energy: 0.38894336946652497
Energy: 0.8256719058498813
Energy: 0.9056395968407001
Energy: 0.8852313945364889
Energy: 0.9780197953337756
Energy: 0.38909249466670925
Energy: 0.8260101126521426
Energy: 0.8014762193788486
Energy: 0.8175516719033885
Energy: 0.9165549648500165
Energy: 0.7034261186572718
Energy: 0.8477612003602127
Energy: 0.8599014355185605
Energy: 0.8825946440638077
Energy: 0.9602064432942675
Energy: 0.9172725368416664
Energy: 0.8465732750785586
Energy: 0.8442025591511924
Energy: 0.7245936250045035
Energy: 0.9591387954274952
Energy: 0.9394597526689301
Energy: 0.8596176824056218
Energy: 0.8145139427976775
Energy: 0.8046786774553517
Energy: 0.5355965046852847
Energy: 0.9876385677455178
Energy: 0.7844089145914781
Energy: 0.8733889521592654
Energy: 0.8172103687961587
Energy: 0.8710180326310082
Energy: 0.8653716756465842
Energy: 0.8937553971550827
Energy: 0.8589338646399441
Energy: 0.9539226256278396
Energy: 0.8556250215490551
Energy: 0.8681529950800905
Energy: 0.9459914787142932
Energy: 0.8494153978828362
Energy: 0.9649571556575216
Energy: 0.7942051992978683
Energy: 0.835243645608398
Energy: 0.9007661888499348
Energy: 0.8942931986084087
Energy: 0.8670804760047813
Energy: 0.9796266885547447
Energy: 0.8931073198672932
Energy: 0.7852897857771886
Energy: 0.9024124085344103
Energy: 0.8565079995688376
Energy: 0.9021266540512176
Energy: 0.9014979578310517
Energy: 0.765507827445695
Energy: 0.8650674649077329
Energy: 0.897541082586486
Energy: 0.8890215053953991
Energy: 0.9392787890120697
Energy: 0.8258302912338698
Energy: 0.8126024747164671
Energy: 0.8482237240522356
Energy: 0.8970635053622582
Energy: 0.9527820603925996
Energy: 0.7917372914130102
Energy: 0.7756933179669246
Energy: 0.8973177969976504
Energy: 0.8441106255547918
Energy: 0.9583176896634854
Energy: 0.9384834691260936
Energy: 0.8997347379847275
Energy: 0.7174343629503385
Energy: 0.8609390046435587
Energy: 0.9597799905288292
Energy: 0.9440473306977022
Energy: 0.5232577523415992
Energy: 0.8995146252679562
Energy: 0.8412612021023672
Energy: 0.8284707284199336
Energy: 0.9831888446009737
Energy: 0.4589952821953588
Energy: 0.8450274204128397
Energy: 0.9409426627278246
Energy: 0.864040738324217
Energy: 1.0166221360383032
Energy: 0.8877902205638153
Energy: 0.8842111908618829
Energy: 0.9668541454273448
Energy: 0.8385756519653497
Energy: 0.881137360543549
Energy: 0.9786702607105033
Energy: 0.9399386208988084
Energy: 0.9538052016940018
Energy: 0.8504468995759231
Energy: 0.9381453633918736
Energy: 0.9485443635981293
Energy: 0.8990779213343089
Energy: 0.8749569313766433
Energy: 0.9815525050757304
Energy: 0.9046104832092259
Energy: 0.9563636912166453
Energy: 0.9031900784253717
Energy: 0.8568110975931441
Energy: 0.9308769399851609
Energy: 0.8763457303130657
Energy: 0.9313908379760836
Energy: 0.8650702751101502
Energy: 0.841019563249368
Energy: 0.9106952730902428
Energy: 0.9789018226118541
Energy: 0.9039474633450234
Energy: 0.8505182535503204
Energy: 0.8738244145671914
Energy: 0.9368627110600428
Energy: 0.9125579116087348
Energy: 0.9385611692418145
Energy: 0.6418603153330757
Energy: 0.8202067878034255
Energy: 0.8635151560022962
Energy: 0.9341977960775126
Energy: 0.9064807763765456
Energy: 0.8730538407836229
Energy: 0.8397453674148617
Energy: 0.8453207277049062
Energy: 0.9296335709314559
Energy: 0.8877749081024836
Energy: 0.8587958893236294
Energy: 0.913935399194692
Energy: 0.9862529204993742
Energy: 0.8297265054008633
Energy: 0.978816995687783
Energy: 0.814950032775239
Energy: 0.88010178466789
Energy: 0.9557448939555558
Energy: 0.8471270512319169
Energy: 1.0086732623148282
Energy: 0.9265230203394027
Energy: 0.9138441092502428
Energy: 0.9492326760391253
Energy: 0.946223362052484
Energy: 0.9602814629205191
Energy: 0.9210741967045069
Energy: 0.9268399703420003
Energy: 0.9865082321288784
Energy: 0.9299458208815958
Energy: 0.8759362634748998
Energy: 0.942651496852151
Energy: 0.9015989684661694
Energy: 0.8330283649956706
Energy: 1.0239156135764733
Energy: 0.9326579963827977
Energy: 0.9635126436730534
Energy: 0.9190788310072967
Energy: 0.8518541830069009
Energy: 0.9837999836774548
Energy: 0.7551802999744436
Energy: 0.8809296655808373
Energy: 0.8856086981297739
Energy: 0.8579309852350235
Energy: 0.8862346738770468
Energy: 0.8653380448370905
Energy: 0.9910796381702277
Energy: 0.9033337778169649
Energy: 0.8248842635145102
Energy: 0.9561433554330974
Energy: 0.7567478310051446
Energy: 0.8018613014322423
Energy: 0.8780056915660452
Energy: 0.8407569826215721
Energy: 0.877545121219931
Energy: 0.8004551754202075
Energy: 0.9220076296634376
Energy: 0.8772089149661455
Energy: 0.8394539678132669
Energy: 0.8659750964145742
Energy: 0.8442916546747319
Energy: 0.9272754913222716
Energy: 0.793752186233753
Energy: 0.8896008680327909
Energy: 0.995376325963174
Energy: 0.8917872665622167
Energy: 0.9283167997837632
Energy: 0.7916611574450907
Energy: 0.8821865176512501
Energy: 0.9918788130078244
Energy: 0.8975836768857891
Energy: 0.9031972989065784
Energy: 0.9031884471724599
Energy: 0.8968385206214995
Energy: 0.963765041417891
Energy: 0.8675297481632048
Energy: 0.9063060928557017
Energy: 0.8871323564749982
Energy: 0.8794514363268346
Energy: 0.9858780981190458
Energy: 0.8741308930099265
Energy: 0.7729519241499538
Energy: 0.8923903832942928
Energy: 0.9046697238984662
Energy: 0.8522392246431267
Energy: 0.9725173818791034
Energy: 0.7548842730318917
Energy: 0.9630392975137086
Energy: 0.8745315078825893
Energy: 0.8349256951358457
Energy: 0.928786637801515
Energy: 0.9167800106115183
Energy: 0.8581299777557504
Energy: 0.8872241614826349
Energy: 0.8784900400097295
Energy: 0.992376289508721
Energy: 0.7578629011640917
Energy: 0.92076805954315
Energy: 0.8451002669141796
Energy: 0.7667552342999034
Energy: 0.9744643843871506
Energy: 0.890683311415085
Energy: 0.7513748520058627
Energy: 0.8394771425291634
Energy: 0.8739926218633592
Energy: 0.9137633293763071
Energy: 0.8732648959305223
Energy: 0.8934510002761432
Energy: 0.8616082421909038
Energy: 0.8332365785298359
Energy: 0.826315725286956
Energy: 0.885016785726228
Energy: 0.9260593170211917
Energy: 0.8726945502032107
Energy: 0.9707673097467463
Energy: 0.9948996180381658
Energy: 1.0120605116318666
Energy: 0.9127850604344676
Energy: 0.790013827941529
Energy: 0.9911137882384036
Energy: 0.9216717800176466
Energy: 0.8980322725424474
Energy: 0.8878445239191746
Energy: 0.8922840225333178
Energy: 0.8659002415472253
Energy: 0.9822855509226183
Energy: 0.9101427400041324
Energy: 0.8744862425000663
Energy: 0.9557257666549734
Energy: 0.8101704623420837
Energy: 0.8286155326041793
Energy: 0.6742952638724092
Energy: 0.7479509578558449
Energy: 0.919586371611247
Energy: 0.8319222835000372
Energy: 0.8638923718529128
Energy: 0.9390001739696737
Energy: 0.8473347280622434
Energy: 0.8879105684866587
Energy: 0.8912880176539374
Energy: 0.855114583119993
Energy: 0.8932387670229867
Energy: 0.669024160652769
Energy: 0.8789310386394332
Energy: 0.8637861159372503
Energy: 0.8476387931884205
Energy: 0.9256810989561045
Energy: 0.9492143323582601
Energy: 0.850393126353357
Energy: 0.8515956852067491
Energy: 0.8706477610926022
Energy: 0.9697984195283532
Energy: 0.9796681403709165
Energy: 0.8023364042428278
Energy: 0.8505408337620712
Energy: 0.9404541174616614
Energy: 1.0332552573721208
Energy: 0.9797263408421926
Energy: 0.8930065709321275
Energy: 0.8137574791081224
Energy: 0.8805883490677373
Energy: 0.9666442313975878
Energy: 0.9913937565186423
Energy: 0.8726234463787276
Energy: 0.8259477968155421
Energy: 0.9716713350047974
Energy: 0.9695176409848598
Energy: 0.9858235381767408
Energy: 0.9372874174943497
Energy: 0.7667399480601391
Energy: 0.9051903990990364
Energy: 0.9010634258336592
Energy: 0.843667117333554
Energy: 0.8609261150994294
Energy: 0.8428821050746286
Energy: 0.9168432179454229
Energy: 1.0100505481869875
Energy: 0.8843298534289427
Energy: 0.7478790350655505
Energy: 0.8863252423951867
Energy: 0.8341934432862371
Energy: 0.8201333057073001
Energy: 0.953053903413374
Energy: 0.7429929887210464
Energy: 0.918505817826359
Energy: 0.8906364915956346
Energy: 0.874862454304526
Energy: 0.9012737389986194
Energy: 0.7869859471669501
Energy: 0.906142504980015
Energy: 0.8742250785231864
Energy: 0.3241214350093725
Energy: 0.9601476111533741
Energy: 0.9372236767613481
Energy: 0.8449780191607394
Energy: 0.8442486594581534
Energy: 0.8790968475897988
Energy: 0.9595643485721335
Energy: 0.9433378115800325
Energy: 0.8732949142313374
Energy: 0.7862853656606961
Energy: 0.901611093195777
Energy: 0.7856634144257325
Energy: 0.9514690705577246
Energy: 0.9172864774219291
Energy: 0.7690794921432069
Energy: 0.9049594673876046
Energy: 0.8096758986147344
Energy: 0.9613428047017661
Energy: 0.8499337549953666
Energy: 0.8555637907737734
Energy: 0.6704879341674935
Energy: 0.8332931365942554
Energy: 0.8777385281831336
Energy: 0.9208965113255411
Energy: 0.914615020426854
Energy: 0.9735379333712213
Energy: 0.8523124642646401
Energy: 0.8551007292246394
Energy: 0.9318488283932029
Energy: 0.9207260816886575
Energy: 0.8840250303654733
Energy: 0.9066615286712069
Energy: 0.8697903514885316
Energy: 0.8607496979021891
Energy: 0.8737202416483049
Energy: 0.9217468354774428
Energy: 0.956107568580181
Energy: 0.8533379876021737
Energy: 0.7800997841736887
Energy: 0.9161147962088559
Energy: 0.8844556454796646
Energy: 0.8302843578407585
Energy: 0.9293550860170208
Energy: 0.7651853977202997
Energy: 0.7461575157889442
Energy: 0.8790534768960295
Energy: 0.9173117253896803
Energy: 0.9660680570041772
Energy: 0.8076483309019279
Energy: 0.8194891872256127
Energy: 0.8584776553718946
Energy: 0.8689502036254356
Energy: 0.9513378489414459
Energy: 0.9382571307806135
Energy: 0.8813102766344283
Energy: 0.7086628493756391
Energy: 0.9005929803550613
Energy: 0.957218701823573
Energy: 0.9433458289227478
Energy: 0.8137880159866558
Energy: 0.8680769543310097
Energy: 0.8216312763616497
Energy: 0.8219692595649493
Energy: 0.9351789254682905
Energy: 0.9291957398775911
Energy: 0.8447417246055016
Energy: 0.8718858811779917
Energy: 0.7091580433254904
Energy: 0.9707951385634281
Energy: 0.8093338772051107
Energy: 0.8871736122282301
Energy: 0.855818101607149
Energy: 0.7994012312961556
Energy: 0.904725107421151
Energy: 0.9655598235302049
Energy: 0.883362606327301
Energy: 0.953662215639473
Energy: 0.8049122785326241
Energy: 0.9068025664296514
Energy: 0.9478629936585607
Energy: 0.8921920392948613
Energy: 0.8795748819040137
Energy: 0.9945171484751838
Energy: 0.8899882271934221
Energy: 0.9132822585637734
Energy: 0.877951390284933
Energy: 0.8813845492702825
Energy: 0.9915529185907827
Energy: 0.9245903164940849
Energy: 0.8847971503706117
Energy: 0.832648352385371
Energy: 0.7876445979131735
Energy: 0.8212917510095938
Energy: 0.9724601323629406
Energy: 0.9115373461678267
Energy: 0.8914139277216239
Energy: 0.8771763602106794
Energy: 1.0051601805719899
Energy: 0.9385853428763802
Energy: 0.8998618687892002
Energy: 0.8164216595245185
Energy: 0.8494949340356649
Energy: 0.8473823973487155
Energy: 0.9327005569081956
Energy: 0.8267715273756698
Energy: 0.8946048511308005
Energy: 0.8421367831468003
Energy: 0.8719299683050377
Energy: 0.9331426178618663
Energy: 0.8182957116231322
Energy: 0.7971024616856945
Energy: 0.8344022018449968
Energy: 1.0043058938959626
Energy: 0.8589509485386364
Energy: 0.9887556320174204
Energy: 0.8598300183246032
Energy: 0.9220471838443669
Energy: 1.0414397419282881
Energy: 0.8300115659179625
Energy: 0.9890217796014318
Energy: 0.9432207308389692
Energy: 0.885012009998277
Energy: 0.9867790479256621
Energy: 0.9501921604793937
Energy: 0.9126840221448022
Energy: 0.9689388693142592
Energy: 0.87458299102702
Energy: 1.009975149942504
Energy: 0.9362555444575493
Energy: 0.9104052526867346
Energy: 0.9265004015342687
Energy: 0.9423308032867137
Energy: 0.8605097328872982
Energy: 0.9827404181197402
Energy: 0.8704776192993541
Energy: 0.9657439864257293
Energy: 0.9633982586708528
Energy: 0.8367004929852928
Energy: 0.8493914063703849
Energy: 0.7812530292237745
Energy: 0.9870458100974872
Energy: 0.9099359083392106
Energy: 0.8680295239713433
Energy: 0.8503816796098715
Energy: 0.9874431579297188
Energy: 0.9684790520996215
Energy: 0.8723264656657858
Energy: 0.8147670603814616
Energy: 1.0519295869838063
Energy: 0.7568982116336579
Energy: 0.901156036472195
Energy: 0.8710134179854283
Energy: 0.8389963995286409
Energy: 0.8773870416976874
Energy: 0.7997410294080748
Energy: 0.8611466520627016
Energy: 0.876125153998381
Energy: 0.8394950354378548
Energy: 0.8999290371008557
Energy: 0.8838291886117213
Energy: 0.9291876649481666
Energy: 0.801280235602665
Energy: 0.8899834933618023
Energy: 0.9797221227397391
Energy: 0.9019663460163907
Energy: 0.9411102761654889
Energy: 0.8872304953802383
Energy: 0.9005199869785045
Energy: 0.931619821560515
Energy: 0.9013096734072127
Energy: 0.8929122844011955
Energy: 0.9418821036639738
Energy: 0.8884125595295749
Energy: 0.7994354196175948
Energy: 0.8561318401434802
Energy: 0.9073104702796017
Energy: 0.917566004398922
Energy: 0.8663758975825261
Energy: 0.9496744136954646
Energy: 0.897036017685574
Energy: 0.7589910259842606
Energy: 0.9556290662998219
Energy: 0.8845715916023199
Energy: 0.8507557862238784
Energy: 0.953684857255562
Energy: 0.7775080380101117
Energy: 0.9732896615812002
Energy: 0.8783717024734667
Energy: 0.8017563943025469
Energy: 0.9455759544931174
Energy: 0.9252641058428284
Energy: 0.8698255798670359
Energy: 0.8675218657588623
Energy: 0.9148480357154443
Energy: 0.7629364205380076
Energy: 0.7580327897498408
Energy: 0.8663264143973112
Energy: 0.8868329345030892
Energy: 0.8280559586343319
Energy: 0.9609814363471696
Energy: 1.0099583305843507
Energy: 0.37109833145558513
Energy: 0.8395861102134942
Energy: 0.87744748634907
Energy: 0.8608502167950656
Energy: 0.8478334869368143
Energy: 0.8894268686316562
Energy: 0.8404857413538368
Energy: 0.8446157554246275
Energy: 0.40949013830200626
Energy: 0.8880272645451615
Energy: 0.8940743358034375
Energy: 0.8213580555030797
Energy: 0.9812773164227019
Energy: 0.9942959570428616
Energy: 0.9636127674909478
Energy: 0.9235050014808897
Energy: 0.7688248489940958
Energy: 0.9273712896474822
Energy: 1.0384561455681773
Energy: 0.8730036028369117
Energy: 0.8798926784271754
Energy: 0.9279325704548803
Energy: 0.8936099904003331
Energy: 0.9595645107638922
Energy: 0.8449026646050479
Energy: 0.9025554927168824
Energy: 0.8728806386905535
Energy: 0.8970598231965476
Energy: 0.9612652147534917
Energy: 0.9828604330454432
Energy: 0.7732572943438715
Energy: 0.8962079610356948
Energy: 0.7383047045776564
Energy: 0.8251526296648628
Energy: 0.9613190009001439
Energy: 0.762191342355204
Energy: 0.8947028179508334
Energy: 0.8860794121116359
Energy: 0.8776154296689944
Energy: 0.7760829927182448
Energy: 0.6684887856351429
Energy: 0.8896542460926696
Energy: 0.7545865619744713
Energy: 0.8548907995356388
Energy: 0.8580832080779583
Energy: 0.9627567969374813
Energy: 0.8123028874280337
Energy: 0.8962270280497007
Energy: 0.8111370037741246
Energy: 1.033231397754277
Energy: 0.9795955934290599
Energy: 0.8467080946401231
Energy: 0.8271655215873301
Energy: 0.7249011182507122
Energy: 0.8680018431989541
Energy: 0.9261565539072261
Energy: 0.848521503360876
Energy: 0.7272586699642325
Energy: 0.8136889494443519
Energy: 1.0036774012562566
Energy: 0.9812005268186085
Energy: 0.8808139447064613
Energy: 0.7245249266156112
Energy: 0.9636275300262304
Energy: 0.8598296867812518
Energy: 0.8973832508132005
Energy: 0.8341100665459376
Energy: 0.7281063968340961
Energy: 1.0162366543686148

minimum gb energy = 0.3241214350093725 eV
minimum distance =  2.24051171365887 Angstroms
sigma value = 105


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

Energy: 0.906707353862816
Energy: 0.7017940584854118
Energy: 0.6857276802138653
Energy: 0.68541755310197
Energy: 0.7304100780382731
Energy: 0.8724969927263612
Energy: 0.7021378635973912
Energy: 0.6776903886589253
Energy: 0.6955452759383599
Energy: 0.8070234528506551
Energy: 0.8193989990358281
Energy: 0.8655613283591614
Energy: 0.6975501051152534
Energy: 0.6828286554479184
Energy: 0.8327155616714912
Energy: 0.8743409333633034
Energy: 0.8231496588061
Energy: 0.6971487599967514
Energy: 0.6980472936391583
Energy: 0.8540827024643569
Energy: 0.8910036740477457
Energy: 0.8957084215050635
Energy: 0.8522257583965194
Energy: 0.8430163896544876
Energy: 0.8832776166094296
Energy: 0.8802893123679293
Energy: 0.9102999572297636
Energy: 0.8517682176624316
Energy: 0.8894802672571515
Energy: 0.8406586359766083
Energy: 0.8569376361273807
Energy: 0.1778909342210358
Energy: 0.9053116719127609
Energy: 0.8808551675754253
Energy: 0.9933703861960744
Energy: 0.8553719292529584
Energy: 0.6961021054839748
Energy: 0.864575336591373
Energy: 0.883393497537259
Energy: 0.8714268578472479
Energy: 0.8454184496342881
Energy: 0.7573878008864613
Energy: 0.7976366880663812
Energy: 0.8059694131925347
Energy: 0.7880487416654288
Energy: 0.8261459190204062
Energy: 0.892203868673771
Energy: 0.799303921704234
Energy: 0.8179634979555552
Energy: 0.78459460587378
Energy: 0.8510496814959498
Energy: 0.8837780238395839
Energy: 0.7100908752136773
Energy: 0.7836257969853339
Energy: 0.8117729075487845
Energy: 0.8813032371952424
Energy: 0.7190444854685847
Energy: 0.8247207136856864
Energy: 0.8080774559582633
Energy: 0.8250133011350317
Energy: 0.8359465165636105
Energy: 0.8661318514219787
Energy: 0.8511573245746349
Energy: 0.8137427862188921
Energy: 0.7848565229885986
Energy: 0.6499837448747585
Energy: 0.8280637482275187
Energy: 0.8582006733996178
Energy: 0.817749894217316
Energy: 0.8071582923551698
Energy: 0.6238139620955979
Energy: 0.8992549955247493
Energy: 0.8629497448176564
Energy: 0.865188383827236
Energy: 0.8535845335393409
Energy: 0.9559773597533544
Energy: 0.8523151736693879
Energy: 0.8606204085299811
Energy: 0.8550510685924718
Energy: 0.9096967791282385
Energy: 0.8130078529869339
Energy: 0.8677807469060951
Energy: 0.8368594421579614
Energy: 0.8515578470069195
Energy: 0.8901863388866388
Energy: 0.8419106327858937
Energy: 0.8578328881468396
Energy: 0.8823104049499737
Energy: 0.8575554141975575
Energy: 0.8901039526672111
Energy: 0.7418229375927772
Energy: 0.8697055821309065
Energy: 0.8618407500475517
Energy: 0.7753759090511014
Energy: 0.7602897721882538
Energy: 0.6978386547176219
Energy: 0.8955011986319341
Energy: 0.8616270539924635
Energy: 0.7823284210917777
Energy: 0.8344876114157849
Energy: 0.7474564496737132
Energy: 0.8880808469837154
Energy: 0.8783906656697423
Energy: 0.715700878262085
Energy: 0.7375643244923035
Energy: 0.7100997516031079
Energy: 0.8678870334086934
Energy: 0.8774652418739273
Energy: 0.7450205185278335
Energy: 0.7267998640984753
Energy: 0.7494893168785519
Energy: 0.8958866280223761
Energy: 0.8494146435272214
Energy: 0.8055696484388778
Energy: 0.7363705555743978
Energy: 0.7509634555098327
Energy: 0.8461271765119115
Energy: 0.8351943487526855
Energy: 0.8007439717244871
Energy: 0.8091612352771893
Energy: 0.7560798780125292
Energy: 0.7711343870371132
Energy: 0.7723384844537908
Energy: 0.7788032945605793
Energy: 0.8067747586385727
Energy: 0.8788689275075857
Energy: 0.6917457588599435
Energy: 0.77620380178047
Energy: 0.7610500479225714
Energy: 0.8069549878808403
Energy: 0.8715403557719984
Energy: 0.7687096447838584
Energy: 0.7859453524883215
Energy: 0.8362017704406193
Energy: 0.7849787401613157
Energy: 0.9564316354799614
Energy: 0.7668714168941196
Energy: 0.7958409719807829
Energy: 0.8000397892317255
Energy: 0.7855082391243785
Energy: 0.8407070086855426
Energy: 0.8224888423868992
Energy: 0.8827794215489696
Energy: 0.7602226615160783
Energy: 0.8454884054440616
Energy: 0.8467733577791089
Energy: 0.3467725309209868
Energy: 0.8744710253573414
Energy: 0.9013405712086343
Energy: 0.846163800448201
Energy: 0.8343000331445115
Energy: 0.8306124438783731
Energy: 0.6733310075732729
Energy: 0.8827304200447506
Energy: 0.8161604484457599
Energy: 0.8375694200761781
Energy: 0.8155128993423216
Energy: 0.6773207186622352
Energy: 0.8030837165267475
Energy: 0.8318517873399787
Energy: 0.7677945040150786
Energy: 0.8510129309635011
Energy: 0.8412804754080007
Energy: 0.8169382839648379
Energy: 0.7702431913153859
Energy: 0.7500197795549849
Energy: 0.8471958574272889
Energy: 0.8392752021157261
Energy: 0.7919812906158573
Energy: 0.7695846069672203
Energy: 0.7547145897270952
Energy: 0.8903093503853102
Energy: 0.8836105229936783
Energy: 0.7414462883097073
Energy: 0.7595349932238599
Energy: 0.7444637412206102
Energy: 0.8856517646559682
Energy: 0.8632084419505524
Energy: 0.7504671431308413
Energy: 0.7598687573958147
Energy: 0.7650858951484043
Energy: 0.8160429402650348
Energy: 0.889495289861758
Energy: 0.7545348506141218
Energy: 0.7700407548597905
Energy: 0.7482163422684028
Energy: 0.839012123896432
Energy: 0.8801155036242584
Energy: 0.7521900624627834
Energy: 0.8438319917653873
Energy: 0.8548743702062988
Energy: 0.8235117469196801
Energy: 0.8924747648315198
Energy: 0.87637738438096
Energy: 0.8525557490104576
Energy: 0.8549626226640984
Energy: 0.8261956806223762
Energy: 0.908239146600373
Energy: 0.8749228950300691
Energy: 0.8638319980527903
Energy: 0.8692221498827888
Energy: 0.846509041403063
Energy: 0.850646092152481
Energy: 0.7675624977012314
Energy: 0.8908235833744057
Energy: 0.8687450134494286
Energy: 0.8724992730059048
Energy: 0.865483076966005
Energy: 0.8201422979001526
Energy: 0.890904612789135
Energy: 0.8298468411669896
Energy: 0.8318120297782284
Energy: 0.8550588526689209
Energy: 0.7721614020864552
Energy: 0.8381283925767579
Energy: 0.8298521812665951
Energy: 0.8280819466310185
Energy: 0.8571731032620834
Energy: 0.8158492089982574
Energy: 0.8403763279234296
Energy: 0.8298825784852656
Energy: 0.7473906093373327
Energy: 0.8797818377968409
Energy: 0.7909490683505872
Energy: 0.8189042480280762
Energy: 0.8298286451064327
Energy: 0.8180418183959509
Energy: 0.8796325464891493
Energy: 0.7901092117412764
Energy: 0.8188403855800692
Energy: 0.8297888812791837
Energy: 0.8187091024425568
Energy: 0.7724043823646974
Energy: 0.8552474101360235
Energy: 0.8491157441543479
Energy: 0.8291297795569604
Energy: 0.8286537322800551
Energy: 0.7663857087767455
Energy: 0.8544625408700187
Energy: 0.8239319432087134
Energy: 0.8467699839545588
Energy: 0.8928734287255858
Energy: 0.7624274622896283
Energy: 0.8613220890476402
Energy: 0.7819887709885848
Energy: 0.849219856888252
Energy: 0.836154975864821
Energy: 0.7666301557735382
Energy: 0.844486514510798
Energy: 0.7739608225051481
Energy: 0.8443189285856307
Energy: 0.8818389582475024
Energy: 0.8747958894488672
Energy: 0.8485234597508089
Energy: 0.8446482416775368
Energy: 0.8425255952610391
Energy: 0.8955698490705533
Energy: 0.8747074240973307
Energy: 0.8366169876553419
Energy: 0.8445058416350911
Energy: 0.7521141449036159
Energy: 0.7486010135856067
Energy: 0.7567120097179985
Energy: 0.7056346687868248
Energy: 0.9049084896928838
Energy: 0.7549329565564697
Energy: 0.7301354299376381
Energy: 0.7793247111659217
Energy: 0.8361265126237548
Energy: 0.855043587352377
Energy: 0.7425776397293158
Energy: 0.30477156468370975
Energy: 0.7561787028038537
Energy: 0.8666238203865497
Energy: 0.8053853243625656
Energy: 0.7441739544981454
Energy: 0.7517477311440156
Energy: 0.7722631433271068
Energy: 0.8684621303406584
Energy: 0.8047891202191345
Energy: 0.7793532431968836
Energy: 0.7492853296986292
Energy: 0.8613188215703913
Energy: 0.8836470187350175
Energy: 0.817232813068521
Energy: 0.7062006004904988
Energy: 0.7479693120495927
Energy: 0.8702528480285098
Energy: 0.8538561267101901
Energy: 0.817734605281692
Energy: 0.7749206886144613
Energy: 0.7954490499949501
Energy: 0.8799730520424685
Energy: 0.8773143236697005
Energy: 0.8008750406210617
Energy: 0.781438465485363
Energy: 0.7999548026208813
Energy: 0.880467986742799
Energy: 0.8845110287399078
Energy: 0.8009305098893487
Energy: 0.7647616453657302
Energy: 0.8094417579993998
Energy: 0.7529206065590545
Energy: 0.848178822284075
Energy: 0.7805205053768564
Energy: 0.801606017486755
Energy: 0.8093553347296031
Energy: 0.7599741831815845
Energy: 0.7294101025227205
Energy: 0.780212372181166
Energy: 0.814871450932175
Energy: 0.8532397387207507
Energy: 0.8774858302874929
Energy: 0.8487313869471125
Energy: 0.8131588982164154
Energy: 0.8750682228412001
Energy: 0.8505365519321402
Energy: 0.886208510111102
Energy: 0.8482411642143504
Energy: 0.6825277605185313
Energy: 0.8490229764504089
Energy: 0.8292614103746182
Energy: 0.8188643428723985
Energy: 0.8456354238349526
Energy: 0.9700306753294892
Energy: 0.8483376583184814
Energy: 0.837198888822401
Energy: 0.8187080280409238
Energy: 0.8852848904413309
Energy: 0.8834509264439324
Energy: 0.8309319176601795
Energy: 0.7601224940099248
Energy: 0.8472462043650669
Energy: 0.8530552512324325
Energy: 0.896253068552327
Energy: 0.7640783590143009
Energy: 0.7528715252551682
Energy: 0.8482161843253511
Energy: 0.8555807345700681
Energy: 0.8779422318609651
Energy: 0.7547744230986587
Energy: 0.7614587922909544
Energy: 0.7467169709595067
Energy: 0.8693890283521923
Energy: 0.9008260302965447
Energy: 0.755047246075659
Energy: 0.7611031378897142
Energy: 0.7462373014468707
Energy: 0.8988695746935957
Energy: 0.8655496435039649
Energy: 0.7496335231713879
Energy: 0.7604243229084597
Energy: 0.7410757210269244
Energy: 0.9225856014875178
Energy: 0.8460282805730807
Energy: 0.7512548774167488
Energy: 0.7603150371734418
Energy: 0.7452307744328456
Energy: 0.8718061977956737
Energy: 0.8463330429920355
Energy: 0.8720550627211701
Energy: 0.8501716061198833
Energy: 0.8910558635674743
Energy: 0.6925953199258575
Energy: 0.8867568641099657
Energy: 0.8232391722468884
Energy: 0.8795491432163117
Energy: 0.8868191745098488
Energy: 0.769401619522929
Energy: 0.901026965897122
Energy: 0.8717182128393686
Energy: 0.887667985306865
Energy: 0.8680657973696783
Energy: 0.9093436068760171
Energy: 0.8587907383509482
Energy: 0.8718891566686171
Energy: 0.8855542000075539
Energy: 0.8680887039490645
Energy: 0.868967253424889
Energy: 0.8687202549011909
Energy: 0.8785306377666565
Energy: 0.8338520420346598
Energy: 0.8267786745442626
Energy: 0.8365488047203702
Energy: 0.14834449580470258
Energy: 0.836857279323533
Energy: 0.8450846119380735
Energy: 0.8266971848691911
Energy: 0.8494083031659357
Energy: 0.7402088284573713
Energy: 0.7450797439205044
Energy: 0.8033224831748997
Energy: 0.7085477566850649
Energy: 0.8276231090838929
Energy: 0.8719571663698685
Energy: 0.6951900988872001
Energy: 0.7064941089408725
Energy: 0.8164406213082525
Energy: 0.8368206347086151
Energy: 0.8686228962978187
Energy: 0.8447234271413644
Energy: 0.7085866680235224
Energy: 0.8234765868155077
Energy: 0.903029010302764
Energy: 0.8415713020974089
Energy: 0.8357897085062291
Energy: 0.8242013673187023
Energy: 0.7060424293413982
Energy: 0.9068263688208025
Energy: 0.9076892231370488
Energy: 0.8934671048037168
Energy: 0.874160500874456
Energy: 0.8570421241363386
Energy: 0.9096120567195553
Energy: 0.8362061726756547
Energy: 0.8364197484408183
Energy: 0.8511766160272061
Energy: 0.8108675447708121
Energy: 0.836992804327166
Energy: 0.8668347260311643
Energy: 0.8586762424221527
Energy: 0.847298293207508
Energy: 0.8457738979754638
Energy: 0.8512283461379646
Energy: 0.8397537243448344
Energy: 0.7937733676412504
Energy: 0.843732742434809
Energy: 0.8551456037433062
Energy: 0.8293568043800376
Energy: 0.8400449430071238
Energy: 0.8954933477886817
Energy: 0.879337292791024
Energy: 0.7703240779008106
Energy: 0.7721522282553345
Energy: 0.7701359366540766
Energy: 0.8953947121106327
Energy: 0.871908310112834
Energy: 0.7571421205159722
Energy: 0.759366139317809
Energy: 0.788725624090862
Energy: 0.8778193140437817
Energy: 0.7468905948488943
Energy: 0.7670354897110646
Energy: 0.7672045971672145
Energy: 0.88159809184389
Energy: 0.8807604335538838
Energy: 0.7487385154863464
Energy: 0.7575728854158901
Energy: 0.7622715102751231
Energy: 0.8806204741039952
Energy: 0.8479370489132959
Energy: 0.804111575538515
Energy: 0.7732749579074981
Energy: 0.7654778617130841
Energy: 0.8712554054052409
Energy: 0.8398313538173627
Energy: 0.7918438163328629
Energy: 0.7414337485439327
Energy: 0.7584553258775504
Energy: 0.8697306779169811
Energy: 0.8052678281077997
Energy: 0.7878373421657545
Energy: 0.7926052975884468
Energy: 0.7472015968639472
Energy: 0.8003687581808436
Energy: 0.8013463574307038
Energy: 0.7785981579617017
Energy: 0.7817486551954916
Energy: 0.7650716346994103
Energy: 0.9024822646028605
Energy: 0.7704689705536554
Energy: 0.7400719596889711
Energy: 0.772490167396443
Energy: 0.7413005046588206
Energy: 0.8451690343975816
Energy: 0.7454141851303115
Energy: 0.7926273491877162
Energy: 0.7700437698744889
Energy: 0.7883909961057856
Energy: 0.7413736186445582
Energy: 0.7834086981680961
Energy: 0.6875237694890606
Energy: 0.8360124844589693
Energy: 0.8219707689346873
Energy: 0.7516433238346465
Energy: 0.7535663614333846
Energy: 0.6771846915736937
Energy: 0.8466425514843413
Energy: 0.8652562080519053
Energy: 0.6933744959816482
Energy: 0.8814166718334379
Energy: 0.8737371347966376
Energy: 0.829513313187646
Energy: 0.8330327604896808
Energy: 0.8334680704838069
Energy: 0.8655437223122718
Energy: 0.8734676780373832
Energy: 0.8478993064794275
Energy: 0.8332889825629045
Energy: 0.8436354225536725
Energy: 0.8600357382928326
Energy: 0.7876263601731314
Energy: 0.6496796017158403
Energy: 0.7170463259039251
Energy: 0.8228458215137705
Energy: 0.8096254297776597
Energy: 0.8784199559763792
Energy: 0.6973206247021211
Energy: 0.8048900032719647
Energy: 0.8435824622561454
Energy: 0.8082634680202998
Energy: 0.6888793146870008
Energy: 0.6865943685703609
Energy: 0.688398356407455
Energy: 0.6998452832233685
Energy: 0.9751551172658911
Energy: 0.6999151430358802
Energy: 0.6961564051096294
Energy: 0.6889033718138399
Energy: 0.7688029214467587

minimum gb energy = 0.14834449580470258 eV
minimum distance =  2.29879834969334 Angstroms
sigma value = 165


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

Energy: 0.918024395985996
Energy: 0.14798935334734492
Energy: 0.1909120087246704
Energy: 0.23569203242289818
Energy: 0.8052401030820164
Energy: 0.8571777200779314
Energy: 0.23571258229702116
Energy: 0.8748585256621892
Energy: 0.23566100895778733
Energy: 0.8341375205142076
Energy: 0.9107890588520724
Energy: 0.9211378301762134
Energy: 0.8641178450394051
Energy: 0.1577962985287288
Energy: 0.23587078492254163
Energy: 0.8410372421442289
Energy: -0.02415599046312723
Energy: 0.2355957251784038
Energy: 0.45827500611259214
Energy: 0.2641575403178272
Energy: 0.9029506575532421
Energy: 0.9174036986825994
Energy: 0.8978566513211984
Energy: 0.8902648059861329
Energy: 0.8612495524733603
Energy: 0.8982897305817727
Energy: 0.24739901004540849
Energy: 0.8859261617062755
Energy: 0.9008358986385538
Energy: 0.861557842937539
Energy: 0.8647955221949689
Energy: 0.8662794294381995
Energy: 0.9268345176244925
Energy: 0.8308231150186223
Energy: 0.8772206178037831
Energy: 0.2847864489353219
Energy: 0.23566691050405042
Energy: 0.24305759915069974
Energy: 0.858089748346858
Energy: 0.8602331034006798
Energy: 0.8947276259489133
Energy: 0.8527028040293865
Energy: 0.9266163723729807
Energy: 0.9289307778166452
Energy: -0.41252279805783687
Energy: 0.8786183228792449
Energy: 0.8543838964455853
Energy: 0.8946629121784517
Energy: 0.9235977882945726
Energy: 0.8959938409972182
Energy: 0.8414593209840012
Energy: 0.8665821001996672
Energy: 0.8925378817753535
Energy: 0.8466015013658174
Energy: 0.8522107186219303
Energy: 0.8418098921683048
Energy: 0.8655871724059722
Energy: 0.8503265794704384
Energy: 0.8451144201455114
Energy: 0.8983370247154673
Energy: 0.8663878951967979
Energy: 0.8754579514643968
Energy: 0.8946993815975628
Energy: 0.8907002223151816
Energy: 0.9086631354626251
Energy: -0.023883837208706835
Energy: 0.8926871078826163
Energy: 0.8774438137229608
Energy: 0.9090228022891301
Energy: 0.8711816604851957
Energy: 0.8482105945889935
Energy: 0.8881796558404546
Energy: 0.9316726001126833
Energy: 0.9324008809963199
Energy: 0.8820144245383063
Energy: 0.8060998102173197
Energy: 0.9210642164803008
Energy: 0.9306192190118994
Energy: 0.9316590783928553
Energy: 0.8051322686987729
Energy: 0.8067591192377515
Energy: 0.8693099403394078
Energy: 0.9007927896190822
Energy: 0.902425582315262
Energy: 0.8894928879726314
Energy: 0.8269747716697268
Energy: 0.8845892891183355
Energy: 0.9027801080084723
Energy: 0.900813422274077
Energy: 0.8046151285977694
Energy: 0.9438803951678941
Energy: 0.8758998186266651
Energy: 0.9022001334763594
Energy: 0.8787796602049461
Energy: 0.903907600090882
Energy: 0.9419575810550433
Energy: 0.9016831769410497
Energy: 0.8890716688726685
Energy: 0.891583389497622
Energy: 0.8645013328879481
Energy: 0.8382228084649126
Energy: 0.8832840643944893
Energy: 0.8784361089370066
Energy: 0.8830249817571604
Energy: 0.8597609509654172
Energy: 0.8427032675498407
Energy: 0.8506551246912616
Energy: 0.9014642251002986
Energy: 0.8951819939465591
Energy: 0.8607550293416045
Energy: 0.8920811619700112
Energy: 0.8972623592510658
Energy: 0.9077676254228708
Energy: 0.9240415309373855
Energy: 0.8971544419843501
Energy: 0.8926011848747673
Energy: 0.8408173111365577
Energy: 0.9055724628790993
Energy: 0.9122415497621202
Energy: 0.9227857453816456
Energy: 0.8311198152829813
Energy: 0.8766332557813307
Energy: 0.9174956102015657
Energy: -0.4131264825407101
Energy: 0.19010183264499306
Energy: 0.837832311738313
Energy: 0.8454274375424075
Energy: 0.8427328516883321
Energy: 0.9255045411114464
Energy: 0.8765045861459855
Energy: 0.9145930104185476
Energy: 0.8805915454475909
Energy: 0.9062983202608175
Energy: 0.8638341353518374
Energy: 0.17004904935327844
Energy: 0.8714076279123234
Energy: 0.8821768219147058
Energy: 0.865029214808785
Energy: 0.8639993319475092
Energy: 0.8591457475140574
Energy: 0.87983516261449
Energy: 0.9489945176758077
Energy: 0.24197324687080438
Energy: 0.23576239929855253
Energy: -0.02230353506176434
Energy: 0.8111923810297121
Energy: 0.9000872729547486
Energy: 0.2355772424215348
Energy: 0.8642099859954624
Energy: 0.9204814900442111

minimum gb energy = -0.4131264825407101 eV
minimum distance =  2.25586430686286 Angstroms
sigma value = 41


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

Energy: 1.0069120971944423
Energy: 0.6242980373565664
Energy: 0.6108698212372935
Energy: 0.6238993481946805
Energy: 0.6382958178976087
Energy: 0.7327645767149157
Energy: 0.6260752946739297
Energy: 0.6685130843167543
Energy: 0.6234965461641045
Energy: 0.7050344527528876
Energy: 0.7374986408696246
Energy: 0.7039413676226419
Energy: 0.6800207707264286
Energy: 0.6467299158005515
Energy: 0.6997681324644177
Energy: 0.7116392360302193
Energy: 0.6462091906297012
Energy: 0.6248835828921824
Energy: 0.6488315717613706
Energy: 0.7063802949721507
Energy: 0.6990696265620394
Energy: 0.7409587569353538
Energy: 0.7298342770565015
Energy: 0.7150959113396469
Energy: 0.7142081832951097
Energy: 0.40265733688465594
Energy: 0.669642047962069
Energy: 0.7249331443638005
Energy: 0.7188301041455858
Energy: 0.7181885105401263
Energy: 0.6925099130134265
Energy: 0.7086869673371218
Energy: 0.7557931435332609
Energy: 0.6977273832006495
Energy: 0.8658386301613982
Energy: 0.5459343951138004
Energy: 0.6245653530914749
Energy: 0.694268780936508
Energy: 0.7192280608776875
Energy: 0.8117730678001505
Energy: 0.7659050898770521
Energy: 0.7232738440214361
Energy: 0.7715025264781556
Energy: 0.7427289583156266
Energy: 0.7046066036750508
Energy: 0.7129447564268971
Energy: 0.6961422753677419
Energy: 0.7654458467394126
Energy: 0.7525171770386581
Energy: 0.7278845200434465
Energy: 0.7517286709143312
Energy: 0.7169974951849342
Energy: 0.7390391663049299
Energy: 0.6720535470203637
Energy: 0.7184603769772605
Energy: 0.7482771955960557
Energy: 0.7147520574018869
Energy: 0.7329496847382778
Energy: 0.6719881967141267
Energy: 0.6915949382481984
Energy: 0.7805620588075586
Energy: 0.7501371506597582
Energy: 0.7631821492889829
Energy: 0.7241160851811942
Energy: 0.7433293883823844
Energy: 0.7561757148863776
Energy: 0.7125550043824496
Energy: 0.761271080349868
Energy: 0.8894351112518969
Energy: 0.7465893828852878
Energy: 0.7018232010873224
Energy: 0.7433542559795637
Energy: 0.7065622531834881
Energy: 0.7018497524808954
Energy: 0.6936616234130671
Energy: 0.7663628446664923
Energy: 0.7217404681552126
Energy: 0.7032678229312216
Energy: 0.7087408283697096
Energy: 0.6988973998302979
Energy: 0.7114070366854252
Energy: 0.7016341728815549
Energy: 0.6884668728735805
Energy: 0.6791843804049124
Energy: 0.7384561247325004
Energy: 0.7088359338956126
Energy: 0.7029597022900703
Energy: 0.22130907495550092
Energy: 0.7090482341382045
Energy: 0.7329018490303899
Energy: 0.7480129341498889
Energy: 0.7051562873465329
Energy: 0.7048026776485975
Energy: 0.6996071712887139
Energy: 0.7326381499716585
Energy: 0.7394576732538386
Energy: 0.7045013813131141
Energy: 0.6621975708949642
Energy: 0.7121353813188742
Energy: 0.7401188133756399
Energy: 0.6840379915799537
Energy: 0.6937963378632127
Energy: 0.653085183649637
Energy: 0.6624704441249533
Energy: 0.7047965814312109
Energy: 0.6903668045223237
Energy: 0.664641098062946
Energy: 0.692979198753951
Energy: 0.6863777597495163
Energy: 0.7447421356077782
Energy: 0.6998973995423733
Energy: 0.6598052532057198
Energy: 0.6789013756441972
Energy: 0.7131797900703406
Energy: 0.7200213253711816
Energy: 0.6989070309785766
Energy: 0.6802577869581258
Energy: 0.6616529882408557
Energy: 0.7210413741057045
Energy: 0.7180927672553162
Energy: 0.7260355890399819
Energy: 0.6963227829061849
Energy: 0.698750608656379
Energy: 0.7309328620723661
Energy: 0.7295026715641301
Energy: 0.7575976385855512
Energy: 0.685196307732135
Energy: 0.7006461091526789
Energy: 0.7117403714097039
Energy: 0.7343419184614803
Energy: 0.6955720601600967
Energy: 0.6949271905688628
Energy: 0.702282320765154
Energy: 0.7229812899247599
Energy: 0.6827821719285475
Energy: 0.7006152184101844
Energy: 0.6927574476799487
Energy: 0.6883437068023125
Energy: 0.7734749248042313
Energy: 0.6922545061002529
Energy: 0.6964709298310684
Energy: 0.7168848774637292
Energy: 0.7251243974045561
Energy: 0.762167176534501
Energy: 0.7546619773296106
Energy: 0.6958375434174979
Energy: 0.7161664547225423
Energy: 0.7260060668151905
Energy: 0.7455586885161712
Energy: 0.751540806530659
Energy: 0.8305871334946939
Energy: 0.7294713291057453
Energy: 0.7282742302069017
Energy: 0.7677822539109201
Energy: 0.7416917020927968
Energy: 0.7950003686001041
Energy: 0.7318889905725647
Energy: 0.7135377918998915
Energy: 0.7517522544690237
Energy: 0.7468122778751861
Energy: 0.7561211969553239
Energy: 0.7294096085388903
Energy: 0.7316669654929356
Energy: 0.6652036517542723
Energy: 0.7470038463279879
Energy: 0.7564972558987572
Energy: 0.7317079018854328
Energy: 0.7330074124663332
Energy: 0.6675437757770225
Energy: 0.732773730557343
Energy: 0.7338567355400105
Energy: 0.7236365802124354
Energy: 0.8180178428038579
Energy: 0.7346700386116041
Energy: 0.7410760624869822
Energy: 0.7329479010909586
Energy: 0.7330090145596388
Energy: 0.7496525212704295
Energy: 0.7364736219984664
Energy: 0.8620395215404512
Energy: 0.7299626370903468
Energy: 0.7119862270994093
Energy: 0.7397637877110048
Energy: 0.7363177942418692
Energy: 0.832308625810193
Energy: 0.728138443052294
Energy: 0.7279451735158984
Energy: 0.7407074590395987
Energy: 0.7397559592987976
Energy: 0.7978616262585284
Energy: 0.7401839035054804
Energy: 0.7239690250976337
Energy: 0.6844548437443522
Energy: 0.7096931527599201
Energy: 0.49940850214983784
Energy: 0.7388027661021547
Energy: 0.7142084257633308
Energy: 0.6782429259745048
Energy: 0.7061717033647527
Energy: 0.7257791627962228
Energy: 0.7068312401516091
Energy: 0.7186946114522154
Energy: 0.7426793026654548
Energy: 0.7039428321292132
Energy: 0.7178425778046098
Energy: 0.7079981942172398
Energy: 0.7351407962233364
Energy: 0.6960001115482811
Energy: 0.7047622106327187
Energy: 0.7076096147740192
Energy: 0.6848367982309479
Energy: 0.7099760546588285
Energy: 0.7127853051543928
Energy: 0.8427135987850451
Energy: 0.687837555156113
Energy: 0.6847128455008695
Energy: 0.7204576787376059
Energy: 0.7179829880710894
Energy: 0.7824950685329438
Energy: 0.6880373757666167
Energy: 0.7065177175433639
Energy: 0.6907797483163743
Energy: 0.7068069183652478
Energy: 0.7098689649597767
Energy: 0.6650015476497418
Energy: 0.6934919566083418
Energy: 0.6932971487276094
Energy: 0.7430109803602726
Energy: 0.716888826178052
Energy: 0.6716873209330682
Energy: 0.6939407627691521
Energy: 0.6927710980883898
Energy: 0.7292213866789639
Energy: 0.7252220168109109
Energy: 0.6970410787970052
Energy: 0.6845379213419944
Energy: 0.6929812367469728
Energy: 0.7273963573623294
Energy: 0.6680990857942635
Energy: 0.682776395727258
Energy: 0.6825333013693863
Energy: 0.6602064174112973
Energy: 0.8369889089042413
Energy: 0.7068572929555355
Energy: 0.6925231318869761
Energy: 0.6876037749350599
Energy: 0.6746214452960657
Energy: 0.8533658976856332
Energy: 0.7051715089975669
Energy: 0.6994792757296451
Energy: 0.6942216280532028
Energy: 0.6406919426720068
Energy: 0.7525389136508212
Energy: 0.7357695057319328
Energy: 0.6747674334163063
Energy: 0.7008260883750352
Energy: 0.6829159279521918
Energy: 0.7524115824869467
Energy: 0.7331156305669186
Energy: 0.6849383305595702
Energy: 0.6659591955006099
Energy: 0.742035388459707
Energy: 0.7196345644393346
Energy: 0.6920780314493478
Energy: 0.5823039936487621
Energy: 0.706256877366667
Energy: 0.722714304056465
Energy: 0.7211980591400394
Energy: 0.6901555468538088
Energy: 0.6648461050656569
Energy: 0.7230937997848661
Energy: 0.7310848456182473
Energy: 0.7336388364171121
Energy: 0.694337270807451
Energy: 0.19925464494943212
Energy: 0.722996217174446
Energy: 0.7661851002734982
Energy: 0.7446339157463711
Energy: 0.6891600959298659
Energy: 0.20229363131226027
Energy: 0.6911860534156338
Energy: 0.8896924345307275
Energy: 0.7443577552621427
Energy: 0.7133027701699769
Energy: 0.7152741000645471
Energy: 0.6914947180730993
Energy: 0.7404519206530852
Energy: 0.6967714790481777
Energy: 0.7009444599621232
Energy: 0.10871581498132067
Energy: 0.7473427503403405
Energy: 0.6817596621318412
Energy: 0.7231076973871079
Energy: 0.7663020560210446
Energy: 0.7595189550061386
Energy: 0.7640261936817141
Energy: 0.7272502973164297
Energy: 0.7428006384617802
Energy: 0.7645830896632992
Energy: 0.7538834931617264
Energy: 0.75292389804231
Energy: 0.7102522408323129
Energy: 0.7418405585043656
Energy: 0.767351676656519
Energy: 0.7569702129115794
Energy: 0.7538745030920493
Energy: 0.7258414515370233
Energy: 0.7320093248379227
Energy: 0.7529463353663318
Energy: 0.7551140211473115
Energy: 0.862664407325069
Energy: 0.7377690124432067
Energy: 0.7630292465651115
Energy: 0.7448538152149443
Energy: 0.7372088420570955
Energy: 0.7084285544897807
Energy: 0.7370071194999281
Energy: 0.7035609640627705
Energy: 0.7361202715875287
Energy: 0.691873191592017
Energy: 0.714920628444098
Energy: 0.7413895741483483
Energy: 0.8401221645436254
Energy: 0.7589995915626018
Energy: 0.7552898451490078
Energy: 0.7137465803831776
Energy: 0.7208322772554099
Energy: 0.7417411628954645
Energy: 0.7527901140890951
Energy: 0.7545136057847074
Energy: 0.722544508614533
Energy: 0.7197734113366334
Energy: 0.7197429780601144
Energy: 0.6635885186692506
Energy: 0.691107571599848
Energy: 0.7171429896449963
Energy: 0.7194885282539848
Energy: 0.7197823376664718
Energy: 0.7170099665260881
Energy: 0.7089385595615155
Energy: 0.6902287104855362
Energy: 0.7535236259251429
Energy: 0.748613299826635
Energy: 0.7107907400133032
Energy: 0.7323256114707976
Energy: 0.7201026554573796
Energy: 0.7522467231668316
Energy: 0.7573817045354553
Energy: 0.7201938351775725
Energy: 0.7159449215122302
Energy: 0.7117883976436032
Energy: 0.7545436363011214
Energy: 0.7153575406433891
Energy: 0.7154406614825902
Energy: 0.7120052663907354
Energy: 0.6693511575253496
Energy: 0.7061175634055845
Energy: 0.6947218664792387
Energy: 0.7135832302667963
Energy: 0.6905108261881918
Energy: 0.6667505513584746
Energy: 0.7037672395284179
Energy: 0.677803935099932
Energy: 0.6377583126429188
Energy: 0.611692184724205
Energy: 0.6666274562623475
Energy: 0.7033440760611732
Energy: 0.6524199158768901
Energy: 0.6856656121899655
Energy: 0.6788570067071898
Energy: 0.7376168890236324
Energy: 0.7326058701999825
Energy: 0.6904888432378978
Energy: 0.6109224891597304
Energy: 0.6351961071542677
Energy: 0.7036381090647285
Energy: 0.7107838683831954
Energy: 0.6892954242061794
Energy: 0.6124318826168293
Energy: 0.7011443693777564
Energy: 0.716876858688858
Energy: 0.623341443222501
Energy: 0.6798377740772569
Energy: 0.6886733329052108
Energy: 0.6467939512227192
Energy: 0.7177226379148988
Energy: 0.6245027493572859
Energy: 0.6807317806039185
Energy: 0.6815464906259355
Energy: 0.6979843541761307

minimum gb energy = 0.10871581498132067 eV
minimum distance =  2.32030942401093 Angstroms
sigma value = 185


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

Energy: 1.0123702334200373
Energy: 0.4446460109502079
Energy: 0.4249376723872285
Energy: 0.39175108249856583
Energy: 0.28561255593214396
Energy: 0.3851261892094006
Energy: 0.39043912629883315
Energy: 0.4019326221364153
Energy: 0.5033714826018154
Energy: 0.6617548846323589
Energy: 0.40660462929150376
Energy: 0.47214445731779314
Energy: 0.4011688683070222
Energy: 0.3963214596596349
Energy: 0.3875070857043212
Energy: 0.3658500545640396
Energy: 0.3887825158735978
Energy: 0.5713470186085863
Energy: 0.41468759401212896
Energy: 0.4162675388261683
Energy: 0.4364752438051143
Energy: 0.42435947938078866
Energy: 0.529985170744336
Energy: 0.4411303852698665
Energy: 0.5335234435570357
Energy: 0.43310511342601005
Energy: 0.4008656316082335
Energy: 0.40690647321852663
Energy: 0.4119591998366819
Energy: 0.4859204122104786
Energy: 0.4570170255710252
Energy: 0.4145206397053066
Energy: 0.6198781081778817
Energy: 0.4922044091858995
Energy: 0.5343266429115608
Energy: 0.5288992913457343
Energy: 0.5556505695000182
Energy: 0.42653040712125956
Energy: 0.4356091269032627
Energy: 0.485864101979681
Energy: 0.4034121755123835
Energy: 0.4352824838789872
Energy: 0.41986286292531266
Energy: 0.3934449431543757
Energy: 0.46825818499660044
Energy: 0.41580328381875015
Energy: 0.39610085531256733
Energy: 0.4088242525132972
Energy: 0.3950416060824832
Energy: 0.3956884288665677
Energy: 0.4231788150625873
Energy: 0.42247768419873954
Energy: 0.39318953365597714
Energy: 0.48614798876948156
Energy: 0.45416496855913135
Energy: 0.40246104579097525
Energy: 0.4629642680892424
Energy: 0.40185717643801405
Energy: 0.49050703326071604
Energy: 0.46358559349971945
Energy: 0.41452388365656395
Energy: 0.4174457333300426
Energy: 0.4241306409137855
Energy: 0.4891661333283807
Energy: 0.5035261721885994
Energy: 0.44653781622766847
Energy: 0.43526834951807636
Energy: 0.373465742446906
Energy: 0.49368116463888967
Energy: 0.4021061552241409
Energy: 0.45358632997482795
Energy: 0.431469312441018
Energy: 0.48448574876235717
Energy: 0.40998773670014416
Energy: 0.39168926365099516
Energy: 0.4366394138406433
Energy: 0.4664931818074646
Energy: 0.4070309087369945
Energy: 0.4219118247964361
Energy: 0.4162574815868498
Energy: 0.6714025454368692
Energy: 0.4114139573166786
Energy: 0.43473127727080835
Energy: 0.4339382282081836
Energy: 0.3831663165529543
Energy: 0.5941490057068233
Energy: 0.45087872033113535
Energy: 0.4955486518252251
Energy: 0.5005093251313396
Energy: 0.4098086829758131
Energy: 0.45941233050059055
Energy: 0.46729005064353435
Energy: 0.43087246290290687
Energy: 0.4323432747859325
Energy: 0.507977760244921
Energy: 0.4855634960357172
Energy: 0.45590596306154324
Energy: 0.5156169081868655
Energy: 0.46322479588238036
Energy: 0.49026132636814285
Energy: 0.46000686024465864
Energy: 0.4007402040865269
Energy: 0.4699608995795771
Energy: 0.43808946720007863
Energy: 0.4913486937421496
Energy: 0.4814490061676799
Energy: 0.4939375600955421
Energy: 0.4756222453618047
Energy: 0.40097655593713033
Energy: 0.41845935927357336
Energy: 0.40479547045730774
Energy: 0.4707978861568022
Energy: 0.4696448359590252
Energy: 0.3976376897809324
Energy: 0.437156482339656
Energy: 0.4031759976818033
Energy: 0.48016540951127307
Energy: 0.4768667924018203
Energy: 0.445657939670069
Energy: 0.40672176318233133
Energy: 0.39683996265113525
Energy: 0.39607994398561547
Energy: 0.423532453836715
Energy: 0.46902134271026935
Energy: 0.4575410089772311
Energy: 0.4044321257667611
Energy: 0.4813664186858861
Energy: 0.45085309799791146
Energy: 0.3705829792464866
Energy: 0.47042275564115693
Energy: 0.44044201135417255
Energy: 0.42481188402711567
Energy: 0.4867791158864391
Energy: 0.45863588689740303
Energy: 0.44275147412066895
Energy: 0.5303656950898216
Energy: 0.5418158059228086
Energy: 0.43972527168030046
Energy: 0.541219399282808
Energy: 0.4628625326582532
Energy: 0.4286631340395643
Energy: 0.42986702881248645
Energy: 0.4662896349668742
Energy: 0.4366838436402439
Energy: 0.5466264610284323
Energy: 0.5472958006509102
Energy: 0.5257811028341155
Energy: 0.4755271931247659
Energy: 0.43198078548165353
Energy: 0.48202471882710196
Energy: 0.46027150889634116
Energy: 0.43738501905382543
Energy: 0.39861521457525645
Energy: 0.4689237293087602
Energy: 0.5555967511346106
Energy: 0.48995262892717173
Energy: 0.3998890940975239
Energy: 0.5117208364377208
Energy: 0.40568656580572976
Energy: 0.4405563876752677
Energy: 0.4749150799152819
Energy: 0.43420049751366224
Energy: 0.4683278300442373
Energy: 0.46679224308207473
Energy: 0.4297815730196284
Energy: 0.4964268560954964
Energy: 0.4662013495740688
Energy: 0.45687304805805484
Energy: 0.39658458575041655
Energy: 0.47687564641641966
Energy: 0.4898158483709888
Energy: 0.4426965539242696
Energy: 0.5180112095028389
Energy: 0.3973222044065371
Energy: 0.41648250363367895
Energy: 0.49771887240467505
Energy: 0.4814004673292885
Energy: 0.6809882855806628
Energy: 0.4915102144142918
Energy: 0.3914813938753783
Energy: 0.45781105891479107
Energy: 0.4241375003528284
Energy: 0.5540277292648992
Energy: 0.4651063642019882
Energy: 0.5311566695292045
Energy: 0.44224996941648165
Energy: 0.4558605326256106
Energy: 0.5932055933252155
Energy: 0.455787351574194
Energy: 0.4254134227727948
Energy: 0.4282722558700011
Energy: 0.5190760752934628
Energy: 0.5167234303919805
Energy: 0.41726081457349185
Energy: 0.535209038535887
Energy: 0.5047251513442305
Energy: 0.5245341047950398
Energy: 0.4063569718458726
Energy: 0.44227388533768597
Energy: 0.42435083189859363
Energy: 0.407492324548377
Energy: 0.5379787099101013
Energy: 0.4335511826808431
Energy: 0.4508804622972051
Energy: 0.43791908386564354
Energy: 0.4333107689486083
Energy: 0.4932832991943732
Energy: 0.38598162300584776
Energy: 0.4329924037194508
Energy: 0.42940044155155843
Energy: 0.3995444629894035
Energy: 0.3946451714258804
Energy: 0.38228928393319583
Energy: 0.47723143414454505
Energy: 0.4819431906667744
Energy: 0.40456922705720644
Energy: 0.5883188178954617
Energy: 0.4909515724489702
Energy: 0.4755880680610065
Energy: 0.40054068061692255
Energy: 0.4140069933853499
Energy: 0.5742651620705965
Energy: 0.40135929778513196
Energy: 0.4760434802721074
Energy: 0.4894826777872139
Energy: 0.47749052946299797
Energy: 0.5157913808473618
Energy: 0.42887022436467975
Energy: 0.4693829950581028
Energy: 0.469784796212369
Energy: 0.46097314566688735
Energy: 0.42676138005555714
Energy: 0.48405986744685797
Energy: 0.4369434442806013
Energy: 0.3866099198062693
Energy: 0.47604099989555226
Energy: 0.48016929237366324
Energy: 0.4550889922077631
Energy: 0.46488845007739343
Energy: 0.4662194833065635
Energy: 0.5068518431650911
Energy: 0.4241947215873028
Energy: 0.5250386955538461
Energy: 0.5041268887464324
Energy: 0.4193186988598779
Energy: 0.4050768727155632
Energy: 0.4335271804844659
Energy: 0.4382025856247446
Energy: 0.43513638770466556
Energy: 0.3996926436657376
Energy: 0.46645658717138117
Energy: 0.40106433682300263
Energy: 0.5130380100080276
Energy: 0.5301506673563826
Energy: 0.4899312605312755
Energy: 0.6657028612350453
Energy: 0.4956972716370318
Energy: 0.43684067719955244
Energy: 0.44658354637953984
Energy: 0.4257224889827717
Energy: 0.45555141432686624
Energy: 0.4538114968056387
Energy: 0.4725833604715472
Energy: 0.417222818497958
Energy: 0.5330626423243309
Energy: 0.42115001959310017
Energy: 0.4011875580200439
Energy: 0.39638133731129815
Energy: 0.4140473668659361
Energy: 0.48957647379303154
Energy: 0.49487212102303096
Energy: 0.46600674550764154
Energy: 0.4916355122409221
Energy: 0.48054417205318367
Energy: 0.7518854007893263
Energy: 0.41884283038094083
Energy: 0.4532090283311437
Energy: 0.45309938947310363
Energy: 0.45115697514517683
Energy: 0.7299580906506475
Energy: 0.4133924539321051
Energy: 0.3983414716826406
Energy: 0.4901865674050381
Energy: 0.40830659720225176
Energy: 0.49175901536222055
Energy: 0.4530668731694738
Energy: 0.4349543052873984
Energy: 0.39944372833064057
Energy: 0.4175728541886793
Energy: 0.4212052743501997
Energy: 0.4015868119335373
Energy: 0.4863721503208745
Energy: 0.4357816562771041
Energy: 0.46128625625561714
Energy: 0.4244901722527253
Energy: 0.41383438565334596
Energy: 0.5343773381887384
Energy: 0.4626999685670053
Energy: 0.39597379952412165
Energy: 0.43388247568213956
Energy: 0.4737755584052375
Energy: 0.4850902721748801
Energy: 0.4492014739880382
Energy: 0.39221469411545623
Energy: 0.43887591348458793
Energy: 0.5369997380620146
Energy: 0.5347250100309663
Energy: 0.4305256018907551
Energy: 0.47113358531882327
Energy: 0.4165511397300621
Energy: 0.3946093053829449
Energy: 0.39967767595855935
Energy: 0.41535526516421817
Energy: 0.4582885074216019
Energy: 0.3875202755677044
Energy: 0.4022870033232218
Energy: 0.3936373515022224
Energy: 0.42187354649105185
Energy: 0.4005988219562719
Energy: 0.4414589006390262
Energy: 0.6771004111047811
Energy: 0.3881440818905074
Energy: 0.30668009423056525
Energy: 0.38969693294624597
Energy: 0.36882463386353304
Energy: 0.27892501855095586
Energy: 0.3907373003314102
Energy: 0.4047108785365734
Energy: 0.4481644506485541
Energy: 0.6812819707593311

minimum gb energy = 0.27892501855095586 eV
minimum distance =  2.32223337134646 Angstroms
sigma value = 33


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

Energy: 0.6500505817954901
Energy: 0.624192683051761
Energy: 0.6150671521633132
Energy: 0.593649242040549
Energy: 0.6031790939497521
Energy: 0.5970163723576208
Energy: 0.6199831820151526
Energy: 0.6096301177375535
Energy: 0.6169312269283203
Energy: 0.6113754593824773
Energy: 0.6921229787124867
Energy: 0.610381863650044
Energy: 0.638846822428943
Energy: 0.6397946543717271
Energy: 0.6250146857277412
Energy: 0.7083813159336979
Energy: 0.6570343488559935
Energy: 0.6361111187157434
Energy: 0.6720279408111084
Energy: 0.6096214690488182
Energy: 0.6079538093035756
Energy: 0.6272695752217666
Energy: 0.6535543857409771
Energy: 0.6292469829427209
Energy: 0.6012790291119132
Energy: 0.604642807582985
Energy: 0.6025435739696847
Energy: 0.6157819995355656
Energy: 0.6067018022108053
Energy: 0.8745425246684415
Energy: 0.6236291345991922
Energy: 0.6375522852506023
Energy: 0.620343929671038
Energy: 0.6257099294120709
Energy: 0.7261489926427561
Energy: 0.6178240208982959
Energy: 0.6338992409917698
Energy: 0.6352227258371927
Energy: 0.6288629269202409
Energy: 0.647834418324715
Energy: 0.6320331953542613
Energy: 0.6341744547725978
Energy: 0.6402233520637723
Energy: 0.6175999331304625
Energy: 0.6707669239026989
Energy: 0.632688441471575
Energy: 0.6267620623397552
Energy: 0.6428652276475441
Energy: 0.6258084347288962
Energy: 0.6986122137269886
Energy: 0.577334849219807
Energy: 0.6238445611464488
Energy: 0.6880965375478112
Energy: 0.5888550428952278
Energy: 0.5991220016486977
Energy: 0.5765976819965937
Energy: 0.6227428364922737
Energy: 0.6980421476181136
Energy: 0.589683249220869
Energy: 0.6050090670372283
Energy: 0.5796939667483005
Energy: 0.575488368094582
Energy: 0.617870680953824
Energy: 0.5954266461391293
Energy: 0.6165959239916912
Energy: 0.6089538621140085
Energy: 0.575338922396804
Energy: 0.6150806712321228
Energy: 0.5981044541097339
Energy: 0.6092614112143834
Energy: 0.5961186502400335
Energy: 0.6334878862455781
Energy: 0.6061361034420527
Energy: 0.6113241029589144
Energy: 0.618179408915364
Energy: 0.5965036340841455
Energy: 0.616903267461601
Energy: 0.605699050560998
Energy: 0.6126862883405838
Energy: 0.6303102270337505
Energy: 0.6273372230166648
Energy: 0.6066010835828165
Energy: 0.5984074438263033
Energy: 0.5983209271469506
Energy: 0.5644980407650528
Energy: 0.6094771668108543
Energy: 0.607839568386714
Energy: 0.5982905670045641
Energy: 0.6026560515837301
Energy: 0.5751137089696381
Energy: 0.6575713401837597
Energy: 0.6141620672777954
Energy: 0.5968808582988478
Energy: 0.6065226278741638
Energy: 0.6057805540557648
Energy: 0.5671415677243127
Energy: 0.597580889288465
Energy: 0.7589139413694679
Energy: 0.6058289089438044
Energy: 0.6125065039745444
Energy: 0.6522239545822098
Energy: 0.5660194738426906
Energy: 0.5960266950368729
Energy: 0.6085321152264408
Energy: 0.6050585586884303
Energy: 0.6392509149557846
Energy: 0.5888167552203708
Energy: 0.6058743321088139
Energy: 0.6094416729025983
Energy: 0.6036900990556132
Energy: 0.5811127549227413
Energy: 0.6086958660918785
Energy: 0.5618451104720771
Energy: 0.5663137290722713
Energy: 0.6804957568287637
Energy: 0.6087675064889828
Energy: 0.5907937249801223
Energy: 0.5935336110076828
Energy: 0.5738837811940459
Energy: 0.6340585984159713
Energy: 0.5766502448235798
Energy: 0.5863669525459297
Energy: 0.6097393836389268
Energy: 0.6040200527799184
Energy: 0.5974936779990148
Energy: 0.5816939534454038
Energy: 0.6445048346675518
Energy: 0.6096189710539747
Energy: 0.606400290366427
Energy: 0.6435460053694914
Energy: 0.5865788274964073
Energy: 0.565710390777834
Energy: 0.6042766022746906
Energy: 0.6097767500937813
Energy: 0.6100110102430298
Energy: 0.5773452636607085
Energy: 0.5954553783858368
Energy: 0.6050228277240471
Energy: 0.6172641412456752
Energy: 0.6178288726526548
Energy: 0.6022731525681903
Energy: 0.5840464738500882
Energy: 0.5985380269684354
Energy: 0.5662406248103344
Energy: 0.6054759150027464
Energy: 0.6209600552191511
Energy: 0.5839368551883332
Energy: 0.6117889527566609
Energy: 0.565234823525424
Energy: 0.6051063892743302
Energy: 0.5934644063496496
Energy: 0.6236097769406924
Energy: 0.5980147120353626
Energy: 0.5966358872134554
Energy: 0.582074008133883
Energy: 0.610553781815893
Energy: 0.6179061221520343
Energy: 0.6017598085300854
Energy: 0.7323942836430165
Energy: 0.5827439076771002
Energy: 0.6326352149018716
Energy: 0.6202144843710227
Energy: 0.6228741092637716
Energy: 0.6086050126214614
Energy: 0.6343678465817508
Energy: 0.5856454403256457
Energy: 0.6206601706609659
Energy: 0.6226782986959807
Energy: 0.6129947887144706
Energy: 0.6316361246028176
Energy: 0.5893639203866956
Energy: 0.6074787357155264
Energy: 0.5966954091209632
Energy: 0.5965578144369474
Energy: 0.6211689491073922
Energy: 0.6153812564530943
Energy: 0.6148607004703299
Energy: 0.5967457557302673
Energy: 0.6031399650859492
Energy: 0.5886187529630194
Energy: 0.6014157395214589
Energy: 0.6198744961054822
Energy: 0.6108946118861545
Energy: 0.6233332282988816
Energy: 0.652238260662881
Energy: 0.6230414360998192
Energy: 0.6192913989997517
Energy: 0.6726601540803127
Energy: 0.6236446555590299
Energy: 0.6591984028935194
Energy: 0.6086255469442824
Energy: 0.6162067152318366
Energy: 0.6078909027863784
Energy: 0.6184373158586329
Energy: 0.6016978411418102
Energy: 0.5978353662122982
Energy: 0.6042989622963335
Energy: 0.6079413810792546
Energy: 0.6158580680638377
Energy: 0.694602426230694
Energy: 0.6043898333441232
Energy: 0.6080388258746545
Energy: 0.6026138558398619
Energy: 0.6013930042658888
Energy: 0.6448854930250226
Energy: 0.5990595715176674
Energy: 0.5984504390908467
Energy: 0.6026340583531947
Energy: 0.5888477852200952
Energy: 0.650016142507888
Energy: 0.6356963445067003
Energy: 0.660901217536556
Energy: 0.6222022864687621
Energy: 0.6402606481256256
Energy: 0.6481206652614268
Energy: 0.6398373462141703
Energy: 0.7239399696901855
Energy: 0.6250471967892004
Energy: 0.6375805655126259
Energy: 0.6486526943852734
Energy: 0.6450436552391839
Energy: 0.5962208112928556
Energy: 0.6363431137555304
Energy: 0.6143008516185028
Energy: 0.6576801166921993
Energy: 0.6077692200639084
Energy: 0.5961104411958246
Energy: 0.6353214072433231
Energy: 0.6149126060133139
Energy: 0.6604905848357492
Energy: 0.6126175658216727
Energy: 0.600349079961467
Energy: 0.6305031283626918
Energy: 0.6528903336861437
Energy: 0.6303149978660832
Energy: 0.6178972691653432
Energy: 0.6001822176725875
Energy: 0.6330526578701755
Energy: 0.6178476834242449
Energy: 0.6379148206140852
Energy: 0.7030716328595328
Energy: 0.6533852032057752
Energy: 0.6367176869532704
Energy: 0.6433680307826993
Energy: 0.6107069301857648
Energy: 0.7020756742399983
Energy: 0.6544660357911758
Energy: 0.6352058559207553
Energy: 0.648300048767196
Energy: 0.6162360903655622
Energy: 0.8561267770920381
Energy: 0.6196802180790627
Energy: 0.5919020412230077
Energy: 0.5898870547173508
Energy: 0.6056393552564853
Energy: 0.5952360508647432
Energy: 0.6163469012731302
Energy: 0.629861252103584
Energy: 0.5904273093870919
Energy: 0.6055022197693486
Energy: 0.6423463905508269
Energy: 0.6103595429279658
Energy: 0.5751891532954572
Energy: 0.5756263579174182
Energy: 0.6207114484186891
Energy: 0.6027499392971001
Energy: 0.6099843833747562
Energy: 0.5753903066575495
Energy: 0.6245501143718917
Energy: 0.649891926291396
Energy: 0.5925048906459854
Energy: 0.6229333879134135
Energy: 0.5970543023151935
Energy: 0.5797534522401661
Energy: 0.6143978717218993
Energy: 0.589710954113431
Energy: 0.6280271038883553
Energy: 0.6036772878539238
Energy: 0.5819067135098706
Energy: 0.613483562419972
Energy: 0.6034435793606877
Energy: 0.5660300008995393
Energy: 0.5693874672582996
Energy: 0.6113439901034992
Energy: 0.5916460052140404
Energy: 0.6151648098979858
Energy: 0.5661126896598992
Energy: 0.5749962664734303
Energy: 0.6119018817458735
Energy: 0.7280466328929514
Energy: 0.6055183938695408
Energy: 0.6109084858860486
Energy: 0.5591655520559728
Energy: 0.6312865544715032
Energy: 0.6192665692415485
Energy: 0.6075152351529265
Energy: 0.5773178595712849
Energy: 0.5655839109310965
Energy: 0.6104286257095077
Energy: 0.6090947900745066
Energy: 0.6071552146809012
Energy: 0.6900065260664898
Energy: 0.577282863911868
Energy: 0.5568948308107802
Energy: 0.6050634354373888
Energy: 0.6075794130120016
Energy: 0.6546290700306016
Energy: 0.5769582712681717
Energy: 0.6623840524902825
Energy: 0.5980108284964455
Energy: 0.5737741204419944
Energy: 0.568897801591424
Energy: 0.6063188879175457
Energy: 0.5915645411435654
Energy: 0.567812044416958
Energy: 0.5554662167079846
Energy: 0.5689248410018399
Energy: 0.6048656096235475
Energy: 0.5908283784021398
Energy: 0.5669961523795433
Energy: 0.6011862219887091
Energy: 0.5739045651210821
Energy: 0.6133108802598773
Energy: 0.6258659767133232
Energy: 0.6070367245630949
Energy: 0.6060458722375502
Energy: 0.5640988187980706
Energy: 0.6080215339705052
Energy: 0.6204350208327167
Energy: 0.6074867797692665
Energy: 0.6271519096900456
Energy: 0.6091367381736953
Energy: 0.669622011467561
Energy: 0.6107650043954342
Energy: 0.6071716162081674
Energy: 0.83427228635056
Energy: 0.6128227385973146
Energy: 0.671740387136581
Energy: 0.6145748398631445
Energy: 0.6075791452893952
Energy: 0.6393756063163818
Energy: 0.6131308063022091
Energy: 0.6028958317838288
Energy: 0.5675273407121156
Energy: 0.6050076880006692
Energy: 0.5714805428474757
Energy: 0.6074783836622604
Energy: 0.6043088563954752
Energy: 0.5668688344839568
Energy: 0.6041220099904117
Energy: 0.5988580904576746
Energy: 0.5812730526654895
Energy: 0.6114448295449317
Energy: 0.6375045951390724
Energy: 0.6073160870091117
Energy: 0.6096432198511114
Energy: 0.5826763973431441
Energy: 0.6099571303736566
Energy: 0.6332766273984579
Energy: 0.608366556298218
Energy: 0.6145057121369475
Energy: 0.5887154997574449
Energy: 0.5951646686405107
Energy: 0.5993870092302519
Energy: 0.5994549685797936
Energy: 0.6122631103066801
Energy: 0.5950790599779622
Energy: 0.5966548643711881
Energy: 0.6131909985816544
Energy: 0.8227605982476995
Energy: 0.6040731677631205
Energy: 0.5880515707107411
Energy: 0.6374604343354011
Energy: 0.6158600703925206
Energy: 0.6170299792033634
Energy: 0.6096844210871407
Energy: 0.5878606058170301
Energy: 0.5923153618879431
Energy: 0.6173109872154378
Energy: 0.7667014479716069
Energy: 0.6126600968783331
Energy: 0.6018948841789645
Energy: 0.6257470531147501
Energy: 0.6375407244453535
Energy: 0.6137716806606043
Energy: 0.6082357624725064
Energy: 0.6015374380569333
Energy: 0.6240462346806894
Energy: 0.5777571857642299
Energy: 0.6242934196644125
Energy: 0.6007268121264747
Energy: 0.6591116248383719
Energy: 0.7015225394177586
Energy: 0.5970334572221596
Energy: 0.6076718709450843
Energy: 0.6023908869591942
Energy: 0.6832571235428896
Energy: 0.6649136491182693
Energy: 0.5970702814850058
Energy: 0.613602140172166
Energy: 0.648043487897283
Energy: 0.650066584448441
Energy: 0.5941629573164416
Energy: 0.595935034403545
Energy: 0.6041645804583547
Energy: 0.6580191488762214
Energy: 0.650267417403283
Energy: 0.6232250709537763
Energy: 0.6498800133081848
Energy: 0.6415399860756567
Energy: 0.6006998651153873
Energy: 0.6527881570585503
Energy: 0.6351922364889764
Energy: 0.6221014364792228
Energy: 0.6364820467357047
Energy: 0.6056409061497955
Energy: 0.645222316860055
Energy: 0.6385642802573428
Energy: 0.618892018856793
Energy: 0.6344563251904278
Energy: 0.5935680816914457
Energy: 0.626016025032767
Energy: 0.6031783496289796
Energy: 0.5984887170744101
Energy: 0.6263964691029809
Energy: 0.6009558200538028
Energy: 0.6340557372773492
Energy: 0.5958781486482422
Energy: 0.6057244797574884
Energy: 0.6276173324361102
Energy: 0.6487217453904002
Energy: 0.6404211449961335
Energy: 0.6353545890489282
Energy: 0.6306914598207591
Energy: 0.6428883505358943
Energy: 0.6139628911165508
Energy: 0.6839674775908864
Energy: 0.6386341695983516
Energy: 0.6325143396085368
Energy: 0.642158052713302
Energy: 0.6414154942548258
Energy: 0.6175537404298506
Energy: 0.5994758380047025
Energy: 0.5935458665216149
Energy: 0.6457941405049495
Energy: 0.6339976461829037
Energy: 0.6173542710585335
Energy: 0.6176826069668765
Energy: 0.5925137054335223
Energy: 0.6401692697771842
Energy: 0.583553740770853
Energy: 0.603613354210703
Energy: 0.594762069549811
Energy: 0.5875333945091024
Energy: 0.6589477129723779
Energy: 0.6191839924972065
Energy: 0.5948784497682095
Energy: 0.5943893101536922
Energy: 0.5788414631811702
Energy: 0.6530953174533868
Energy: 0.6697996386231743
Energy: 0.6219733608671801
Energy: 0.6175402328751203
Energy: 0.6149949199548974
Energy: 0.5738798286265425
Energy: 0.667528206893811
Energy: 0.6097887366432919
Energy: 0.6165765836539576
Energy: 0.5812951860535831
Energy: 0.6363970997619444
Energy: 0.602916405463769
Energy: 0.6027937728823276
Energy: 0.6035115718870658
Energy: 0.6251073276442232
Energy: 0.7126960914705966
Energy: 0.5996121518626136
Energy: 0.5951046977514501
Energy: 0.6091973963967844
Energy: 0.6183854911568153
Energy: 0.6999385551977974
Energy: 0.6177816448122847
Energy: 0.5684724229233642
Energy: 0.6118307358738891
Energy: 0.5585122562589868
Energy: 0.6093707534268241
Energy: 0.6039985228257276
Energy: 0.5688375567734563
Energy: 0.6534603133916874
Energy: 0.6101882244028466
Energy: 0.6163798382652328
Energy: 0.612130067563132
Energy: 0.6154979559771613
Energy: 0.6072937296652182
Energy: 0.5679921081435781
Energy: 0.5681814991964954
Energy: 0.6224392991689469
Energy: 0.6228395686797196
Energy: 0.6066003286169546
Energy: 0.6255043645059496
Energy: 0.5912408986544126
Energy: 0.6298436746678812
Energy: 0.5993640685814943
Energy: 0.6047702393113639
Energy: 0.5963733312741771
Energy: 0.6017683354258092
Energy: 0.5903724634817036
Energy: 0.600037901878946
Energy: 0.6055005766656195
Energy: 0.5720563006587654
Energy: 0.6621112966772715
Energy: 0.6784677507356104
Energy: 0.5666819105949097
Energy: 0.6028823679729696
Energy: 0.6028252437572953
Energy: 0.6095367975781294
Energy: 0.6881547157323888
Energy: 0.5741747822850727
Energy: 0.6029021442234643
Energy: 0.6067207732140886
Energy: 0.5966578695784863
Energy: 0.6109350722886849
Energy: 0.6054055528919492
Energy: 0.5824224535088577
Energy: 0.5823507887476023
Energy: 0.6761459917640238
Energy: 0.6021595185420479
Energy: 0.6088165340425707
Energy: 0.5731545449222016
Energy: 0.573006788434996
Energy: 0.6711203037056335
Energy: 0.6079799085850941
Energy: 0.5861632072220676
Energy: 0.5971681149508627
Energy: 0.6079716391537078
Energy: 0.5648191265550148
Energy: 0.602435723529761
Energy: 0.6066792165573455
Energy: 0.5972497277399075
Energy: 0.6011347170551848
Energy: 0.5758346168824668
Energy: 0.5654369046422841
Energy: 0.6058170129860961
Energy: 0.6010525547179736
Energy: 0.591321455746377
Energy: 0.6038820015716869
Energy: 0.5759355201001656
Energy: 0.5993222584049789
Energy: 0.6665227784100007
Energy: 0.5655314669006487
Energy: 0.6800291906483915
Energy: 0.6163273933909807
Energy: 0.6193789555303184
Energy: 0.6038459427431516
Energy: 0.6070507658005195
Energy: 0.6242436630881484
Energy: 0.6134990394926227
Energy: 0.5958076807158903
Energy: 0.6044208930273681
Energy: 0.63247201760235
Energy: 0.6090572701077189
Energy: 0.6072540573067696
Energy: 0.59727463334606
Energy: 0.6078451847674627
Energy: 0.5881611204890449
Energy: 0.6804785549535414
Energy: 0.6023854055482359
Energy: 0.5963073714229121
Energy: 0.6041530181684334
Energy: 0.573399132029449
Energy: 0.6931610746887241
Energy: 0.6102525200129839
Energy: 0.5987871678105754
Energy: 0.6163336085649251
Energy: 0.6015547951132316
Energy: 0.5705021141741975
Energy: 0.6105827060464478
Energy: 0.597428147075698
Energy: 0.6314129306095565
Energy: 0.6002017796517013
Energy: 0.5701419785457799
Energy: 0.7146306241350651
Energy: 0.6121644518457217
Energy: 0.6646789395407192
Energy: 0.6156458785716153
Energy: 0.6203366888004384
Energy: 0.7576737451910818
Energy: 0.6181993339273708
Energy: 0.6688366287521857
Energy: 0.599956306369575
Energy: 0.6103018598422654
Energy: 0.8704899749963226
Energy: 0.6230956415267553
Energy: 0.620422650766977
Energy: 0.575127250054917
Energy: 0.599809433268983
Energy: 0.5951933382929621
Energy: 0.6202454104674813
Energy: 0.6072317042250551
Energy: 0.5855655547281633
Energy: 0.6104196191908454

minimum gb energy = 0.5554662167079846 eV
minimum distance =  2.31478420353799 Angstroms
sigma value = 219


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

Energy: 0.9432081220018089
Energy: 0.8838284638808874
Energy: 0.8685924945212351
Energy: 0.8675459543444428
Energy: 0.8491461417275535
Energy: 0.8514074744129635
Energy: 0.8688992848690165
Energy: 0.9156431635846719
Energy: 0.8671779479761517
Energy: 0.8476351599069989
Energy: 0.8353200638106271
Energy: 0.8808876354253564
Energy: 0.8929659175176579
Energy: 0.8921006935453413
Energy: 0.8663971724140868
Energy: 0.8300454865699223
Energy: 0.9683221083000351
Energy: 0.8932920475359379
Energy: 0.8924158320445872
Energy: 0.8315446747495688
Energy: 0.8668594227946206
Energy: 0.8934808530142639
Energy: 0.9756962664675496
Energy: 0.8825770583704884
Energy: 0.8858432992479293
Energy: 0.8804349528926211
Energy: 0.8932030949415215
Energy: 0.975303596717517
Energy: 0.881113811898583
Energy: 0.8861013345944497
Energy: 0.8694922592425283
Energy: 0.9602133673504206
Energy: 0.8659974141348463
Energy: 0.8803967125813094
Energy: 0.8631224982030401
Energy: 0.857151067655382
Energy: 0.961028261588418
Energy: 0.8689589144176825
Energy: 0.881103796605642
Energy: 1.0077095466352017
Energy: 0.8752079597962608
Energy: 0.8424423393082011
Energy: 0.8906123481220816
Energy: 0.8748761134201485
Energy: 0.8295576369101859
Energy: 0.8833452681212456
Energy: 0.8952022313853355
Energy: 0.8907759378827953
Energy: 0.8757120024284681
Energy: 0.8294511852257858
Energy: 0.8585729596805434
Energy: 0.8381591230817725
Energy: 0.8691843525718207
Energy: 0.960022028946018
Energy: 0.8315594198509266
Energy: 0.858533161751899
Energy: 0.8345617468381694
Energy: 0.8564057809475053
Energy: 0.9602914640048229
Energy: 0.8318689436539717
Energy: 0.8464625645512168
Energy: 0.8387836694476559
Energy: 0.8668239200122856
Energy: 0.856552072657931
Energy: 0.8566262061258463
Energy: 0.8465900907816342
Energy: 0.8386406239019176
Energy: 0.8658536652160502
Energy: 0.8739999804858934
Energy: 0.8569959707978286
Energy: 0.8667136653116821
Energy: 0.891564836400565
Energy: 0.860142100768868
Energy: 0.8424861600942849
Energy: 0.8577964129887983
Energy: 0.8666077915964728
Energy: 0.8926506531893424
Energy: 0.9074216980509091
Energy: 0.8753725421025044
Energy: 0.8572618481085947
Energy: 0.8462185403814492
Energy: 0.866565077093963
Energy: 0.8655647632848793
Energy: 0.8656883634752696
Energy: 0.8806681401932467
Energy: 0.8482527602846891
Energy: 0.8665505645405475
Energy: 0.8656921484144573
Energy: 0.8828858916204894
Energy: 0.8814412149210545

minimum gb energy = 0.8294511852257858 eV
minimum distance =  2.32703402711514 Angstroms
sigma value = 15


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

Energy: 1.0515308576986078
Energy: 1.0390387628682072
Energy: 1.084469843574928
Energy: 1.0523261248368647
Energy: 0.8624708202939582
Energy: 1.064626963557023
Energy: 1.0401489873743441
Energy: 1.0890062110375067
Energy: 1.093362236822848
Energy: 0.9872150726360963
Energy: 1.1127421031989793
Energy: 1.0185715768626493
Energy: 1.0371409877381337
Energy: 1.0302093074109535
Energy: 0.9770781903344931
Energy: 1.0793200415848399
Energy: 1.011509298565908
Energy: 1.0883395746916213
Energy: 1.0491223932904914
Energy: 1.004616137015564
Energy: 1.1106117900573984
Energy: 1.0275198947572142
Energy: 1.0319923729531773
Energy: 1.0966103054621876
Energy: 1.086568502760912
Energy: 1.100634893006682
Energy: 1.0241614187563488
Energy: 1.0415104092828464
Energy: 1.1183904486517495
Energy: 1.0809848207648396
Energy: 1.1367317125806062
Energy: 1.0294927900370188
Energy: 1.1079574875218605
Energy: 1.0669267227693082
Energy: 1.139566629727899
Energy: 1.152801034804659
Energy: 1.0508081552398205
Energy: 1.1234976528393048
Energy: 1.0685519451132477
Energy: 1.1470455169358797
Energy: 1.092226831420937
Energy: 0.970267982084311
Energy: 1.1260734251968574
Energy: 1.132202531896978
Energy: 1.015852134599868
Energy: 1.0990140283514274
Energy: 1.0917935758214254
Energy: 1.1045091761150723
Energy: 1.0767797089477074
Energy: 1.014777762660859
Energy: 1.0040015397478617
Energy: 1.0892099465537064
Energy: 1.0405789082558543
Energy: 1.1027762483444825
Energy: 1.0047487791268737
Energy: 1.003945426624204
Energy: 1.0899381242811064
Energy: 1.0989780522456836
Energy: 1.098590134551412
Energy: 1.0057404244210248
Energy: 1.1850763527345403
Energy: 1.1263075293224656
Energy: 1.0093643969884196
Energy: 1.0808615198477793
Energy: 1.0275957363992652
Energy: 1.0999920610514506
Energy: 1.122130704698727
Energy: 1.0220706664933876
Energy: 1.0894920798059962
Energy: 1.075406102815351
Energy: 1.0289782791271318
Energy: 1.0152198885140757
Energy: 1.0302666535417724
Energy: 1.118525234748932
Energy: 1.0191370779547961
Energy: 1.0723990368344603
Energy: 1.014843048404957
Energy: 1.0360733530197732
Energy: 1.1067318644336122
Energy: 1.0121942322445168
Energy: 1.0716750090728706
Energy: 1.0855416899704617
Energy: 1.0215001667751535
Energy: 1.0249891873891974
Energy: 1.1180422377275796
Energy: 1.0700001030447501
Energy: 1.0755654142244817
Energy: 1.0240081878824745
Energy: 1.112024482029583
Energy: 1.1044186098855078
Energy: 1.1029249850330265
Energy: 1.011484513545074
Energy: 1.1109501339741779
Energy: 1.0551261279175659
Energy: 1.0277003169304453
Energy: 1.1383491239855792
Energy: 1.027871330901099
Energy: 0.9767638372464537
Energy: 1.0618179245102584
Energy: 1.005051074136994
Energy: 1.0876259362448648
Energy: 1.0704026659899024
Energy: 1.1458289507736876
Energy: 1.0403692769721504
Energy: 0.991820716519139
Energy: 1.0703981486207534
Energy: 1.0976450514931984
Energy: 1.106278899677159
Energy: 1.059374295052495
Energy: 1.0026264473873907
Energy: 1.0767975645889367
Energy: 1.0708720116573498
Energy: 1.0493863873763396
Energy: 1.0904191677916624
Energy: 1.0765130083317596
Energy: 1.0780241747738497
Energy: 1.0684018816841774
Energy: 1.0807755159340575
Energy: 1.0603625753731507
Energy: 1.0768286802753813
Energy: 1.0810645722465129
Energy: 1.0849643642110842
Energy: 1.1115080503907395
Energy: 1.0603987325193254
Energy: 1.0737120691030313
Energy: 1.0843397957412173
Energy: 1.0871718798906902
Energy: 1.1193318628700741
Energy: 1.0800788070523233
Energy: 1.0759865861270423
Energy: 1.068474965849523
Energy: 1.0439685647525765
Energy: 1.0831899680723216
Energy: 1.0975077464667484
Energy: 1.104122265241264
Energy: 1.071229428081555
Energy: 1.044496432236121
Energy: 1.0798564545851803
Energy: 1.1103744690424469
Energy: 1.0988558932490962
Energy: 1.135705646326945
Energy: 1.1061211604408885
Energy: 1.0763329838456563
Energy: 1.11843763120562
Energy: 1.103069135686779
Energy: 1.138485759303664
Energy: 1.0761404565214403
Energy: 1.078941858625912
Energy: 1.114868648001585
Energy: 1.1178608514301145
Energy: 1.0921268897476075
Energy: 1.1031719262309891
Energy: 1.047432637126663
Energy: 1.1204867179221736
Energy: 1.0142594811478352
Energy: 1.0848561627699966
Energy: 1.1010307793173533
Energy: 1.0474555968409016
Energy: 1.1267265255723484
Energy: 1.0131168379190012
Energy: 1.0596634161545702
Energy: 1.1121371566415241
Energy: 1.0888553874928495
Energy: 1.0401263751567025
Energy: 1.0130582833806647
Energy: 1.0584981682056318
Energy: 1.091877187112256
Energy: 1.06597904532799
Energy: 0.938094403657004
Energy: 0.916451927725186
Energy: 1.032704835648432
Energy: 1.0887724050291263
Energy: 1.0562408080422063
Energy: 1.091498001449625
Energy: 1.0582361657303816
Energy: 1.0443669712642287
Energy: 1.0956790446799833
Energy: 1.075297876267409
Energy: 1.0947639422579631
Energy: 1.03653715509251
Energy: 1.045139459931863
Energy: 1.0782326270602043
Energy: 1.0986088374504128
Energy: 1.094309202296496
Energy: 1.1033174856994097
Energy: 1.0487412524939894
Energy: 1.092644707135524
Energy: 1.0443909725134397
Energy: 1.1284291643766717
Energy: 1.0856196818713932
Energy: 1.0664114127204427
Energy: 1.0925935618060905
Energy: 1.0965827010623674
Energy: 1.0560509232316277
Energy: 1.0706258622017433
Energy: 1.0657825254605866
Energy: 1.1079424383171659
Energy: 1.1369026076889912
Energy: 1.0544198577797916
Energy: 1.0693991677829797
Energy: 1.1100430648291921
Energy: 0.9922957349277515
Energy: 1.0645068042591628
Energy: 1.0909710149906893
Energy: 1.0149359132266447
Energy: 1.151266648499661
Energy: 0.9816442109901535
Energy: 1.0054719265502443
Energy: 1.0972941587458844
Energy: 0.9694877408800872
Energy: 1.054685167982059
Energy: 1.1095985524588774
Energy: 1.0021089495694568
Energy: 1.015075201266772
Energy: 1.0880989988393122
Energy: 1.0527363522641198
Energy: 1.1080999604230828
Energy: 1.0052409491480967
Energy: 1.014406892896752
Energy: 1.0944981256929562
Energy: 1.0993728629535304
Energy: 0.9993050630445582
Energy: 1.0966353978421697
Energy: 1.011797242170367
Energy: 1.1025049857240918
Energy: 1.028915567908087
Energy: 0.9987553379864265
Energy: 1.098674409187371
Energy: 1.0232629697730933
Energy: 1.1138838084989051
Energy: 1.0286894763499648
Energy: 1.101307369690672
Energy: 1.0849223294322947
Energy: 1.0294614895257044
Energy: 1.0976382255975954
Energy: 1.0297669931470983
Energy: 1.109635615525203
Energy: 1.0735218990281998
Energy: 1.0225924530548711
Energy: 1.0888925478354894
Energy: 1.0292332764637857
Energy: 1.0229618143559958
Energy: 1.1324000013052538
Energy: 1.0958341989991758
Energy: 1.0872413305733988
Energy: 1.0302541486639802
Energy: 1.0229202035747227
Energy: 1.119085716095987
Energy: 1.0834881910606928
Energy: 1.083614557796948
Energy: 1.105663652432641
Energy: 1.03599747232739
Energy: 1.068873753650046
Energy: 1.128001784347294
Energy: 1.027520040944519
Energy: 1.1151037714785448
Energy: 1.0229881333368573
Energy: 1.0691653319356347
Energy: 1.1321881983340707
Energy: 1.0115763874972472
Energy: 0.9151231697720665
Energy: 1.0714709104411453
Energy: 0.968080261287705
Energy: 1.0700619339131594
Energy: 1.084981508687827
Energy: 1.0395105240706977
Energy: 1.0986295036514087
Energy: 0.9716058862377621
Energy: 1.0757755996878753
Energy: 1.0758562215139107
Energy: 1.051296603815278
Energy: 0.9889457379576152
Energy: 1.0783990058778277
Energy: 1.0751799038120171
Energy: 1.0753603298906202
Energy: 1.0568128409240571
Energy: 0.9946850834078196
Energy: 1.077951213851297
Energy: 1.0780233381401856
Energy: 1.0646779819130305
Energy: 1.0900363591654476
Energy: 1.0986774683285427
Energy: 1.080357322351955
Energy: 1.0794392275740388
Energy: 1.04550261092238
Energy: 1.0885020295103158
Energy: 1.0882188306084213
Energy: 1.0760665664323077
Energy: 1.079529776685242
Energy: 1.066120215624164
Energy: 1.1036942903079934
Energy: 1.0792489089869362
Energy: 1.1301536345695884
Energy: 1.096508734083404
Energy: 1.1083933939017159
Energy: 1.1413848296916183
Energy: 1.0814452883963588
Energy: 1.088982638405494
Energy: 1.0849512948981632
Energy: 1.0442808425411552
Energy: 1.0517949887537708
Energy: 1.1107896152204144
Energy: 1.0808940213035403
Energy: 1.0661674978196518
Energy: 1.1251721141982132
Energy: 1.0444207527161438
Energy: 1.1121594655781721
Energy: 1.0750714588023313
Energy: 1.0558435933957029
Energy: 1.119952865340634
Energy: 1.0473396340856198
Energy: 1.1366581023242823
Energy: 1.0910755036280841
Energy: 1.0377252859955937
Energy: 1.1209388339219495
Energy: 1.0489208180077643
Energy: 1.0990766136220036
Energy: 1.0961411432223724
Energy: 1.0446170033820703
Energy: 1.1034304040437013
Energy: 1.091457677197154
Energy: 1.2638599565618778
Energy: 1.0967320997900099
Energy: 1.0480768982963657
Energy: 1.0874044369977776
Energy: 1.0796093098689241
Energy: 1.2639115469029283
Energy: 1.0922862099016075
Energy: 1.0483504262829662
Energy: 1.0892295285724913
Energy: 1.0447397833698864
Energy: 1.0080615358052458
Energy: 1.102546562806632
Energy: 1.0302776300900272
Energy: 1.0923082477522728
Energy: 1.0459184398061745
Energy: 1.0901965168239485
Energy: 1.0996515388758787
Energy: 1.0304548148886228
Energy: 1.087861320023334
Energy: 1.003615975496938
Energy: 1.0975156949415406
Energy: 1.0943878227089954
Energy: 1.0312506252810707
Energy: 1.087107847922978
Energy: 1.0285547771333092
Energy: 1.1036866335560374
Energy: 1.0947046439657988
Energy: 1.0301435597345692
Energy: 1.0682141942321852
Energy: 0.9527996200218345
Energy: 1.140169552115592
Energy: 0.9648851994366267
Energy: 1.0278623134063098
Energy: 0.9758031547897491
Energy: 1.0789826888990939
Energy: 1.1533482393431849
Energy: 0.9774026368368893
Energy: 1.0539419254953775
Energy: 0.9893483564116354
Energy: 1.0248720934019675
Energy: 1.0214638443178743
Energy: 1.0771801302930588
Energy: 1.1079737797474403
Energy: 0.9446175639803069
Energy: 1.022898853724292
Energy: 1.0036906742920662
Energy: 1.05705766917112
Energy: 1.1237766605503718
Energy: 0.9441488465017396
Energy: 1.0926827301589785
Energy: 1.0040575122672197
Energy: 1.0763731749486212
Energy: 1.0768513942155584
Energy: 1.0570438420981316
Energy: 1.0843305898294684
Energy: 1.0083785031400854
Energy: 1.0493457090155465
Energy: 1.056461218115347
Energy: 1.0319772382744492
Energy: 1.091744900781032
Energy: 1.0062806361109562
Energy: 1.0844858899720378
Energy: 1.0834649821173392
Energy: 1.0040118657047032
Energy: 1.0968597463004355
Energy: 1.019198558433776
Energy: 1.0836753348349661
Energy: 1.0865831687016243
Energy: 1.0015409783961209
Energy: 1.0989731205933824
Energy: 1.0152527355135976
Energy: 1.040626413339967
Energy: 1.2119119874997921
Energy: 1.1072228125982568
Energy: 1.1138377268475133
Energy: 1.0163150482710903
Energy: 1.034020059218335
Energy: 1.107870770867988
Energy: 1.1027702800514168
Energy: 1.0891896297726447
Energy: 1.0910000510079105
Energy: 1.0782934481025883
Energy: 1.1035520823407547
Energy: 1.034265851336102
Energy: 1.099094714171424
Energy: 1.0971038322071633
Energy: 1.0925019201181885
Energy: 1.1038708912530415
Energy: 1.0394082482085363
Energy: 1.0740235321412284
Energy: 1.0658165262942385
Energy: 1.0955863459711546
Energy: 1.0965253377197222
Energy: 1.0463360389293603
Energy: 1.065975004400138
Energy: 1.0744085912034471
Energy: 1.0440852572858488
Energy: 1.0999563908547143
Energy: 1.029176599868248
Energy: 0.9212788849065303
Energy: 1.0851972957090517
Energy: 1.1192480673901182
Energy: 0.9995700645299477
Energy: 1.1515811857981981
Energy: 0.9781639754587533
Energy: 1.0869796450347746
Energy: 1.0884627756874963
Energy: 1.0106583876249249
Energy: 1.0820648218421267
Energy: 1.060096219727003
Energy: 1.0671511621490801
Energy: 1.0648199319470728
Energy: 1.0776837008679547
Energy: 1.056724121860288
Energy: 1.0560372756607315
Energy: 1.073384605687087
Energy: 1.068663160884947
Energy: 1.0809316963423012
Energy: 1.05582631898377
Energy: 1.0659499454522645
Energy: 1.084444272608464
Energy: 1.0723743796590182
Energy: 1.0223051739418818
Energy: 1.0224842947385075
Energy: 1.0743221920193737
Energy: 1.080390461053919
Energy: 1.0622013952553409
Energy: 1.0138619615462419
Energy: 1.031118089560065
Energy: 1.0757082628725827
Energy: 1.0828380446258326
Energy: 1.0555883199175902
Energy: 1.082954236726742
Energy: 0.9022383014067631
Energy: 1.083758966903299
Energy: 1.080835231181637
Energy: 1.0564159790034633
Energy: 1.086245446681904
Energy: 0.9096205190803012
Energy: 1.053519816571921
Energy: 1.1478246571667352
Energy: 1.0841761797102836
Energy: 1.0623421554882952
Energy: 1.1096959377444517
Energy: 1.0898601442278342
Energy: 1.1090713552769993
Energy: 1.075269766148495
Energy: 1.045312457125099
Energy: 1.1064014216226608
Energy: 1.116750659643508
Energy: 1.1020354355234032
Energy: 1.0968826398538547
Energy: 1.0476563468339501
Energy: 1.0346065714358996
Energy: 1.085392528535325
Energy: 1.0781110583348097
Energy: 1.1233666410406724
Energy: 1.0394730205087366
Energy: 1.037653664046376
Energy: 1.0686430773046907
Energy: 1.035094444971009
Energy: 1.0576915476847484
Energy: 1.1017841080581419
Energy: 1.0399173668731283
Energy: 1.0950665396510737
Energy: 1.0436217612801522
Energy: 1.0320018652944092
Energy: 1.113637526084335
Energy: 1.0772143212274745

minimum gb energy = 0.8624708202939582 eV
minimum distance =  2.30090123152469 Angstroms
sigma value = 293


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

Energy: 1.1169776125772852
Energy: 0.8870830182361233
Energy: 1.0849031892244596
Energy: 1.0323040443821563
Energy: 0.9774952677701513
Energy: 1.0657099423585772
Energy: 0.8869903684878964
Energy: 1.089371180073528
Energy: 1.0098210917663362
Energy: 0.9774827036875594
Energy: 0.9431286849890796
Energy: 0.9939029963174948
Energy: 1.039711041840306
Energy: 1.0394166284327737
Energy: 0.9773896321401747
Energy: 0.929675246241557
Energy: 0.9935350524863112
Energy: 1.0809531966150288
Energy: 1.0175950907308038
Energy: 0.9707435873415463
Energy: 1.0237349026947025
Energy: 0.9833582433376457
Energy: 0.9938686427283763
Energy: 1.0433114574673783
Energy: 1.1134188399487919
Energy: 1.025175067528081
Energy: 0.9828600739599788
Energy: 1.0218447355540339
Energy: 1.1005779763391974
Energy: 1.1210866643249688
Energy: 1.0933563689653618
Energy: 1.0398325820449574
Energy: 1.021922231671065
Energy: 1.057437435753883
Energy: 1.1136650248800073
Energy: 1.0931481053948433
Energy: 1.0404054731959909
Energy: 1.063109832066862
Energy: 1.0784240352290315
Energy: 1.0880936762959996
Energy: 1.068298491226422
Energy: 1.0755884216115628
Energy: 1.0781756698454452
Energy: 1.1828562314522733
Energy: 0.966564519632189
Energy: 1.0667136326789033
Energy: 1.0758465201286862
Energy: 1.0774554591588548
Energy: 1.1665028207354766
Energy: 0.9612264638678357
Energy: 0.9580980590177332
Energy: 1.0244356443960374
Energy: 1.168289410494315
Energy: 1.1294384196928031
Energy: 0.9674829688715879
Energy: 0.9579787406854537
Energy: 1.041137566580149
Energy: 0.9447857490189269
Energy: 1.1306202937351755
Energy: 0.9668936637499947
Energy: 1.114236627123634
Energy: 0.9474464839605402
Energy: 0.9688918348974999
Energy: 0.9677023705667593
Energy: 1.1109096631085515
Energy: 1.1145799372416523
Energy: 0.9702221510099679
Energy: 0.9673671241920737
Energy: 0.9671813995393352
Energy: 1.0104145342219193
Energy: 0.9861729864828299
Energy: 0.9606849889281741
Energy: 0.9750829132410143
Energy: 1.1821987689052316
Energy: 0.9771157123158478
Energy: 0.977775921287779
Energy: 0.9718109717843837
Energy: 0.9753739323242315
Energy: 1.177904714927204
Energy: 0.9771996947009289
Energy: 1.104004909655647
Energy: 1.0515307643985132
Energy: 0.9856319920060295
Energy: 0.8890424038601471
Energy: 1.147695994161134
Energy: 1.0987151800603725
Energy: 1.0512543793556783
Energy: 0.9876599220768837
Energy: 0.9337195751414619
Energy: 1.1249581853347423
Energy: 1.130507491746791
Energy: 1.0551269970325703
Energy: 1.0248453625494152
Energy: 0.9429456580953123
Energy: 1.0604403966664613
Energy: 1.0723601656481991
Energy: 1.0315541654251923
Energy: 0.8559655189151547
Energy: 0.9425860932205065
Energy: 1.060680083385603
Energy: 1.1034056854268288
Energy: 1.0690724968104572
Energy: 1.068331266467347
Energy: 1.0712831800726348
Energy: 0.9140182018302098
Energy: 1.1042071758365817
Energy: 1.0694063530829616
Energy: 1.068608316360404
Energy: 1.0716135862209248
Energy: 0.9131556050948757
Energy: 1.071940953819275
Energy: 1.0183468726510718
Energy: 0.9372544814680658
Energy: 1.0244987095472187
Energy: 1.0060960192212087
Energy: 1.0817132987810116
Energy: 1.0187373295233526
Energy: 0.9641889230572782
Energy: 1.0234462606296209
Energy: 1.0040238245597972
Energy: 1.064753808005061
Energy: 1.128620349094555
Energy: 1.0016823339429002
Energy: 1.0338630884614977
Energy: 1.0061911953416236
Energy: 1.054476542540127
Energy: 1.1243047988545083
Energy: 1.0015727215728554
Energy: 1.0835428597843437
Energy: 1.0066780208782387
Energy: 1.0432686978250043
Energy: 1.0688233805353278
Energy: 1.1177730424195629
Energy: 1.1413042817164183
Energy: 1.078512473957034
Energy: 1.0433240944243996
Energy: 1.0013211669764168
Energy: 1.1215452680091935
Energy: 1.1412598757864423
Energy: 1.078788440760421
Energy: 1.0768703566397615
Energy: 0.9712797162459189
Energy: 0.9653889121202828
Energy: 1.0512593038241618
Energy: 1.0485550938348933
Energy: 1.1423209972057573
Energy: 0.9504037701061461
Energy: 0.9657572268750083
Energy: 1.0515116457889209
Energy: 1.073333926213006
Energy: 0.9434546559880936
Energy: 1.120690763262375
Energy: 0.9744748592796282
Energy: 1.050064077978985
Energy: 1.0210389627795948
Energy: 0.9434950948773968
Energy: 0.9875312295340873
Energy: 0.9749882024593625
Energy: 1.0497371203537886
Energy: 1.0072260585833614
Energy: 0.9700072881764271
Energy: 1.1436894264094353
Energy: 0.9416011342412917
Energy: 1.1147743276898272
Energy: 0.9499425193629417
Energy: 0.9695454032331825
Energy: 1.1448542770953005
Energy: 0.9472786735860882
Energy: 1.115177576823465
Energy: 1.1109481761623652
Energy: 0.9108233726587037
Energy: 1.133105709419811
Energy: 0.9031082491936782
Energy: 0.9926772293244732
Energy: 0.9737511938674922
Energy: 0.8863737672554501
Energy: 1.040911691163399
Energy: 0.9037653180430573
Energy: 0.9940026046087261
Energy: 0.9353655280533951
Energy: 0.9030275653929329
Energy: 1.1218496037425973
Energy: 1.1063006707266032
Energy: 1.05057031069164
Energy: 1.0786051204950944
Energy: 0.894694070920674
Energy: 1.1456853713689996
Energy: 1.1069992501541623
Energy: 1.050108437634861
Energy: 1.0772576035351793
Energy: 0.8374984686305971
Energy: 1.060594672164308
Energy: 1.0594105831193021
Energy: 1.0738097746461754
Energy: 1.0362648149930709
Energy: 0.8869214360308736
Energy: 1.0553183558434471
Energy: 1.059144733408457
Energy: 1.0734350242961563
Energy: 1.0339452805480136
Energy: 1.0693244988486328
Energy: 0.9405251107547318
Energy: 1.0091166390339412
Energy: 1.057273337522298
Energy: 1.078024019071263
Energy: 1.070062086946274
Energy: 0.9397853630731086
Energy: 1.0555294950734653
Energy: 1.0646455673120558
Energy: 1.077251749986511
Energy: 0.9214622610418878
Energy: 1.0491906528164634
Energy: 1.0399285963153901
Energy: 1.0762050878708107
Energy: 0.9619528380721292
Energy: 0.8876445672990237
Energy: 1.0694277941983135
Energy: 1.039539913804712
Energy: 1.0579270997096653
Energy: 0.9392238811534344
Energy: 1.0084825782362543
Energy: 1.0627887789192214
Energy: 1.0537747966040196
Energy: 1.148337413412354
Energy: 1.0758390680728427
Energy: 1.008146359796669
Energy: 1.0385934568857103
Energy: 1.0713373183848967
Energy: 1.13731920938604
Energy: 1.0803789747517918
Energy: 1.0672964269173415
Energy: 1.0914761041631975
Energy: 1.0732678960249373
Energy: 1.0451993035261713
Energy: 1.1013651164277838
Energy: 1.067067831477596
Energy: 1.091155763287032
Energy: 1.0740689428808683
Energy: 1.050422259890706
Energy: 1.120838848569654
Energy: 1.0507877196214617
Energy: 1.0814478232758116
Energy: 1.0414823874943293
Energy: 1.1449908061556677
Energy: 0.9663915060057504
Energy: 1.050521603442108
Energy: 1.0792522252612242
Energy: 1.086782620379089
Energy: 1.173123646093452
Energy: 0.9676501663097837
Energy: 0.9735244248803214
Energy: 1.0589057938176454
Energy: 0.943502999247371
Energy: 1.1291368170514053
Energy: 0.9662643861150602
Energy: 0.9659368069957893
Energy: 1.067329055697604
Energy: 0.9433967625543321
Energy: 1.1297866676661528
Energy: 0.9698018105150219
Energy: 0.9348865454228414
Energy: 0.9482281002260288
Energy: 0.9478236486426683
Energy: 0.933789758622834
Energy: 0.9205985814008022
Energy: 0.9362536366001031
Energy: 0.9487239172155497
Energy: 0.9472687732786622
Energy: 0.9437797555740282
Energy: 0.9024216797321967
Energy: 1.072245696128705
Energy: 1.0382252755812087
Energy: 0.8900544419979092
Energy: 1.151647208805024
Energy: 0.8889205675378749
Energy: 1.0723412392276037
Energy: 1.026655840049044
Energy: 0.8900894781978229
Energy: 1.1479287535503608
Energy: 0.9195500930400407
Energy: 1.1039581781891477
Energy: 1.0117265110248863
Energy: 0.9351087406976095
Energy: 0.9743960083292104
Energy: 1.1734842696675722
Energy: 1.0871551111809155
Energy: 1.0263740949331448
Energy: 0.9353918920540829
Energy: 0.9971880257790909
Energy: 1.1743232490387232
Energy: 1.071512867768215
Energy: 1.0449952135966492
Energy: 1.0677603157835467
Energy: 0.8550848336185953
Energy: 1.0183981851561221
Energy: 1.0807430963126274
Energy: 1.0340427689402252
Energy: 1.0729125241214388
Energy: 1.0772132226892523
Energy: 1.0197408907776415
Energy: 1.0956719283462646
Energy: 1.0325103570054406
Energy: 1.0695720133439768
Energy: 1.0701518045489207
Energy: 1.0409513889853943
Energy: 1.0981733455876852
Energy: 1.0319108707216098
Energy: 1.069831086354778
Energy: 1.069408936104457
Energy: 1.018995677292333
Energy: 1.0912697008226058
Energy: 1.0324184164698131
Energy: 1.1003805041716188
Energy: 1.0745224472195178
Energy: 1.0496777113123474
Energy: 1.1299561807611067
Energy: 1.0307881199920903
Energy: 1.1038169538844167
Energy: 1.0394987795144532
Energy: 1.0355058539327142
Energy: 1.0875295322460592
Energy: 1.1316461894547283
Energy: 1.003652688130662
Energy: 1.0757431251888536
Energy: 1.0492166596459898
Energy: 1.0604183365930029
Energy: 1.1320978850086567
Energy: 1.0020225679165873
Energy: 1.0776233582705967
Energy: 1.0533661346770768
Energy: 1.065022892465156
Energy: 1.0700979687864565
Energy: 1.0603262758391587
Energy: 1.1017871169299935
Energy: 1.0447361490888274
Energy: 1.0792843298568067
Energy: 0.9302266080553911
Energy: 1.079915214277424
Energy: 1.1136635919544025
Energy: 1.048386607216938
Energy: 1.1228729355178757
Energy: 0.9694345309566815
Energy: 0.9683280315399562
Energy: 1.063129569087598
Energy: 1.078002322489944
Energy: 1.1919365805930198
Energy: 0.969526087393995
Energy: 0.9679319338541782
Energy: 1.071111128244599
Energy: 1.0531932452002262
Energy: 0.975762023502902
Energy: 1.1316114342764019
Energy: 0.9714959214290483
Energy: 1.000942095208275
Energy: 1.0561920008945216
Energy: 0.9746306145570464
Energy: 1.1220853778618285
Energy: 0.971827519819873
Energy: 1.0188995766312212
Energy: 1.0307834228286314
Energy: 0.960984561263841
Energy: 0.9688795456286521
Energy: 0.9373938640875974
Energy: 0.9486833049600905
Energy: 0.9494756010101487
Energy: 0.9596398579450844
Energy: 0.9702307477593496
Energy: 0.9618894306075231
Energy: 0.9487969348872957
Energy: 0.935988597212253
Energy: 0.9068891851060549
Energy: 1.1460771962242777
Energy: 0.9198715902955631
Energy: 1.0507594393834347
Energy: 1.0001728066756184
Energy: 0.886729332852291
Energy: 1.1439458102917568
Energy: 0.9177217436322727
Energy: 1.0173655140657079
Energy: 0.9239726535856552
Energy: 0.9269002950069961
Energy: 1.1779188746740887
Energy: 1.1195342436157316
Energy: 1.0021324026890321
Energy: 1.005538392632362
Energy: 0.9478986007419623
Energy: 1.1773208736104313
Energy: 1.1193354441258871
Energy: 1.0029272628147483
Energy: 1.0045067298391066
Energy: 1.0781350563973484
Energy: 0.9823374085583483
Energy: 1.0637742641853931
Energy: 1.1189590457728127
Energy: 1.0048815970287404
Energy: 1.053856697464387
Energy: 0.982843557670349
Energy: 1.0635278551828686
Energy: 1.118411671389465
Energy: 1.0866838799777723

minimum gb energy = 0.8374984686305971 eV
minimum distance =  2.296509256893 Angstroms
sigma value = 293


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

Energy: 1.1992049555568307
Energy: 1.0912792294275182
Energy: 1.166670055456104
Energy: 1.0916292648703494
Energy: 1.0873312572520566
Energy: 1.1991454281084208
Energy: 1.0907569301931364
Energy: 1.1671906707985338
Energy: 1.0909468176969093
Energy: 1.0882688046243372
Energy: 1.1674653172824003
Energy: 1.0917815232958574
Energy: 1.0912434983032389
Energy: 1.0909373862289353
Energy: 1.0897265381414047
Energy: 1.1681633814762669
Energy: 1.0923555221940082
Energy: 1.0873791875969132
Energy: 1.0914238074324278
Energy: 1.0899406459274663
Energy: 1.0907799276924524
Energy: 1.092028329818359
Energy: 1.0909703103900943
Energy: 1.0912497592706385
Energy: 1.1686460466159803
Energy: 1.0901580398565043
Energy: 1.0916143759633004
Energy: 1.0920285027581464
Energy: 1.1687590811612618
Energy: 1.1686167413761601
Energy: 1.1680546139369905
Energy: 1.0882290757645832
Energy: 1.0879668074853215
Energy: 1.089809249810698
Energy: 1.1687184107355346
Energy: 1.1675559994911944
Energy: 1.0869842651141859
Energy: 1.0874427282774088
Energy: 1.0902422833895937
Energy: 1.1476083303113873
Energy: 1.0906496897445572
Energy: 1.0893798744756
Energy: 1.0888580496136595
Energy: 1.0927271231352529
Energy: 1.0924079247727165
Energy: 1.0901539268682618
Energy: 1.0901476687922576
Energy: 1.0858303445420772
Energy: 1.0922603964215234
Energy: 1.0915339643123139
Energy: 1.091480926062461
Energy: 1.1678387973238211
Energy: 1.090171185490824
Energy: 1.093030212148569
Energy: 1.0884833994157086
Energy: 1.0916207119032897
Energy: 1.1676625685175501
Energy: 1.0908843992771216
Energy: 1.0919757510611459
Energy: 1.087203077842091
Energy: 1.1665817234060816
Energy: 1.1490060023839086
Energy: 1.0898926096077606
Energy: 1.0912966691807178
Energy: 1.0920139758408436
Energy: 1.1668385764756983
Energy: 1.149761532177658
Energy: 1.089583103011195
Energy: 1.091326068475487
Energy: 1.0914673437089306
Energy: 1.0902729357516294
Energy: 1.1673964565044594
Energy: 1.0939905573640514
Energy: 1.1991506734173485
Energy: 1.0883947373104719
Energy: 1.090667223370924
Energy: 1.1689003914136589
Energy: 1.0913892221216368
Energy: 1.1999024576573982
Energy: 1.088018870016138
Energy: 1.0926657704434382
Energy: 1.087798098517496
Energy: 1.0897288704042514
Energy: 1.0888913893223227
Energy: 1.1677082379602486
Energy: 1.0911610318768141
Energy: 1.0908846253305187
Energy: 1.0896950531944152
Energy: 1.0882988126674042
Energy: 1.167693205708558
Energy: 1.0921639272088555
Energy: 1.0909142287455353
Energy: 1.1676982274289522
Energy: 1.1712627092713654
Energy: 1.0905753403370868
Energy: 1.14772948463063
Energy: 1.1472914796737848
Energy: 1.2322615573968412
Energy: 1.0908709529414822
Energy: 1.0925608286051365
Energy: 1.0858434539536013
Energy: 1.0893737797771519
Energy: 1.0887394942860948
Energy: 1.0922894283678306
Energy: 1.1683944423096904
Energy: 1.0883232552066582
Energy: 1.0894045034073816
Energy: 1.1496282735351895
Energy: 1.089515159966216
Energy: 1.16854534714067
Energy: 1.1994640427233654
Energy: 1.0913915202039344
Energy: 1.1665792844233502
Energy: 1.091502253028447
Energy: 1.0870685408254328
Energy: 1.1997863894344378
Energy: 1.0909508884511825
Energy: 1.167530094849443
Energy: 1.091117579717097
Energy: 1.0880343807791932
Energy: 1.1674131489099167
Energy: 1.0914738990289823
Energy: 1.0912602879203634
Energy: 1.0908732284500404
Energy: 1.0898939838139903
Energy: 1.1684122420099314
Energy: 1.0924199032079926
Energy: 1.087412202789069
Energy: 1.0913377241997486
Energy: 1.0898653399176763
Energy: 1.0909390455653705
Energy: 1.0924365258067994
Energy: 1.0908511591634895
Energy: 1.0921365382598869
Energy: 1.1687364825534738
Energy: 1.0902504669068498
Energy: 1.0917860263186192
Energy: 1.0918376286250873
Energy: 1.1679798038683118
Energy: 1.1688421383012553
Energy: 1.1680840751282502
Energy: 1.0874567474778767
Energy: 1.0880511309756167
Energy: 1.0899899388915242
Energy: 1.168473235366891
Energy: 1.1678015649955138
Energy: 1.087310299293059
Energy: 1.0875766914648994
Energy: 1.0901667363843448
Energy: 1.1689876352360975
Energy: 1.0907160751233203
Energy: 1.0895139551137754
Energy: 1.0878488552768932
Energy: 1.0926835246156459
Energy: 1.0923336756246451
Energy: 1.090171624861678
Energy: 1.0897566209059402
Energy: 1.087218787231954
Energy: 1.0930776320526099
Energy: 1.0917429034617514
Energy: 1.0913997521459502
Energy: 1.1678666823883537
Energy: 1.09012459422609
Energy: 1.0930565961593297
Energy: 1.0884135775782708
Energy: 1.0918950258529188
Energy: 1.1676737348668815
Energy: 1.0906337774057642
Energy: 1.0920411276031543
Energy: 1.0874654779888675
Energy: 1.1701069496113956
Energy: 1.1484450534913502
Energy: 1.0899107713998626
Energy: 1.0910697129244664
Energy: 1.0917908068003872
Energy: 1.1666640540866433
Energy: 1.1493320985636353
Energy: 1.0896357305278301
Energy: 1.0911270097316899
Energy: 1.0920725413524555
Energy: 1.090044732551145
Energy: 1.1669966440695287
Energy: 1.0938153991458495
Energy: 1.198953299904401
Energy: 1.0891933501955646
Energy: 1.090540455617106
Energy: 1.1680684764767566
Energy: 1.0947929883851983
Energy: 1.1998477378751362
Energy: 1.0887968183328778
Energy: 1.0928748588311261
Energy: 1.0874513178815526
Energy: 1.089850920760559
Energy: 1.088676670993965
Energy: 1.1681671019285622
Energy: 1.0921901233949467
Energy: 1.0908839229279836
Energy: 1.0896789723464009
Energy: 1.0883477358162623
Energy: 1.0916686834775464
Energy: 1.0922692555613531
Energy: 1.0943895458466932
Energy: 1.167582165640282
Energy: 1.0907175595853331
Energy: 1.09055640956802
Energy: 1.1476256188811236
Energy: 1.1472972518789406
Energy: 1.2328072489335342
Energy: 1.091000171958788
Energy: 1.0924893586479396
Energy: 1.0859205005694021
Energy: 1.0895562989967114
Energy: 1.0888481968774426
Energy: 1.1672170868413183
Energy: 1.1689806215218859
Energy: 1.0883725467402399
Energy: 1.0895878652087372
Energy: 1.1499164685583496
Energy: 1.166934469698429
Energy: 1.1698013671930743

minimum gb energy = 1.0858303445420772 eV
minimum distance =  2.34058976844767 Angstroms
sigma value = 15


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

Energy: 1.0796946293098149
Energy: 1.0395527493563905
Energy: 1.1270044494589924
Energy: 1.0754267994855533
Energy: 1.0743234342776216
Energy: 1.0498183840212791
Energy: 1.0673535092841535
Energy: 1.121193030169011
Energy: 1.0955495836391915
Energy: 1.0812175785853855
Energy: 1.0151917310114644
Energy: 1.0352495186412334
Energy: 1.0794122520253466
Energy: 1.0814137875433647
Energy: 1.0893519732488337
Energy: 1.0136819670041062
Energy: 1.036790290136875
Energy: 1.0802402796243422
Energy: 1.0871331046664579
Energy: 1.0954278759022589
Energy: 1.048042082465049
Energy: 1.0759214570872258
Energy: 1.0438399861022816
Energy: 1.0801409638914685
Energy: 1.169237034041998
Energy: 0.9924470057564918
Energy: 1.0800692123795304
Energy: 1.1300230854973894
Energy: 1.1083072809223877
Energy: 1.2036410337954562
Energy: 1.1012635099367576
Energy: 1.0438811246077726
Energy: 1.0696202091180713
Energy: 1.0595593460127037
Energy: 1.170500705496613
Energy: 1.118334929598201
Energy: 1.0624084549466752
Energy: 1.0709912411974691
Energy: 1.0352908907140845
Energy: 1.192217714980774
Energy: 1.0762080927568498
Energy: 1.0699443751936952
Energy: 1.0799274291026075
Energy: 1.0853830278602943
Energy: 1.2364213525816985
Energy: 1.0444660216265114
Energy: 1.071075137215718
Energy: 1.074988487440448
Energy: 1.1029632072320072
Energy: 1.2448831477867737
Energy: 1.1711165243068902
Energy: 1.064183310227337
Energy: 1.0443775629619985
Energy: 1.0776739163860176
Energy: 1.1922519525717272
Energy: 1.0362171715559616
Energy: 1.024582983244015
Energy: 1.020663781986086
Energy: 1.0906617284966367
Energy: 1.222548471317929
Energy: 1.0520050229184013
Energy: 1.0589496296533167
Energy: 1.0361013448555414
Energy: 1.0777426834468373
Energy: 1.0631499333644547
Energy: 1.037822989288955
Energy: 1.0432931241325096
Energy: 1.0184633935517347
Energy: 1.1117681485167479
Energy: 1.023579167746833
Energy: 1.089378975340208
Energy: 1.057598716091802
Energy: 1.1005209871522523
Energy: 1.068885936107455
Energy: 1.0768954477727037
Energy: 1.1113582040249539
Energy: 1.03811164010145
Energy: 1.1045141461540395
Energy: 1.0555181714255109
Energy: 1.0970095650274831
Energy: 1.0969614804635255
Energy: 1.2074358053527245
Energy: 1.1016532975508826
Energy: 1.338666274673859
Energy: 1.0717640660585512
Energy: 1.0990342238913977
Energy: 1.08779456488015
Energy: 1.0924693923043036
Energy: 1.1669157387615523
Energy: 1.0517843492658094
Energy: 1.087149990456377
Energy: 1.0791206830491067
Energy: 1.0492919506586718
Energy: 1.0682811577025428
Energy: 1.0107516654700144
Energy: 1.088837865165977
Energy: 1.091166143957031
Energy: 1.0718717921462955
Energy: 1.0806785857550414
Energy: 1.0656499779998698
Energy: 1.0533925436858738
Energy: 1.0812388954900438
Energy: 1.0794806167097586
Energy: 1.069097766525761
Energy: 1.0682259714508904
Energy: 1.0995675740290438
Energy: 1.0589054069683017
Energy: 1.0104421311028233
Energy: 1.0765520840966138
Energy: 1.0782278315645706
Energy: 1.2188107749232922
Energy: 1.100077912079742
Energy: 1.0922423091964328
Energy: 1.124477148548125
Energy: 1.1232781074507674
Energy: 1.1066060700272393
Energy: 1.091650858306508
Energy: 1.0187312999807423
Energy: 1.1264339982056433
Energy: 1.1082699275346612
Energy: 1.1324949298531737
Energy: 1.1083265420751025
Energy: 1.0669167847722347
Energy: 1.0541463406712985
Energy: 1.0743287608714507
Energy: 1.1755203851072513
Energy: 1.1016624578551855
Energy: 1.0822373437736397
Energy: 1.0886545417000075
Energy: 1.0884626217843851
Energy: 1.0983138207073306
Energy: 1.113393515074797
Energy: 1.0843061702910295
Energy: 1.054987774774792
Energy: 1.0667999347584867
Energy: 1.0708648369285387
Energy: 1.0675934936015923
Energy: 1.04993541903252
Energy: 1.0508791779735847
Energy: 1.0954076788092328
Energy: 1.1042901631369746
Energy: 1.159341618980962
Energy: 1.1556894301311833
Energy: 1.1181475339316034
Energy: 1.0130875826136432
Energy: 1.0619235204182944
Energy: 1.1407740297083786
Energy: 1.1704961033967096
Energy: 1.0869848314247457
Energy: 1.0096889794371517
Energy: 1.1762349627343913
Energy: 1.0139454130761383
Energy: 1.0804477639940235
Energy: 1.1038843137675785
Energy: 1.0901894321172285
Energy: 1.1709116413128196
Energy: 1.1953993761920358
Energy: 1.0586296102733355
Energy: 1.1109293098728354
Energy: 1.0836701668559288
Energy: 1.0464110519998384
Energy: 1.0456338574796629
Energy: 1.218689126292629
Energy: 1.0768943604631975
Energy: 1.0979327911599657
Energy: 1.0459894282839404
Energy: 1.0416654775682803
Energy: 1.202385428879892
Energy: 1.0687553418800855
Energy: 1.154464122023561
Energy: 1.094528987524392
Energy: 1.0333771385828199
Energy: 1.0536603112948753
Energy: 1.1526394940025335
Energy: 0.9993326325865186
Energy: 1.0655868354335376
Energy: 1.2100711552074659
Energy: 1.0069354359131584
Energy: 1.1531361239122777
Energy: 0.9922698081650666
Energy: 1.0442992758668306
Energy: 1.0457463974358263
Energy: 1.0795708886681032
Energy: 1.058461142609915
Energy: 1.0442480309269189
Energy: 1.0528612919983333
Energy: 1.1048874034989258
Energy: 1.0803632186762095
Energy: 1.0565358588295726
Energy: 1.0396670067764677
Energy: 1.0765311485431301
Energy: 1.0235220150191326
Energy: 1.0451123811376277
Energy: 1.0556210355944096
Energy: 1.0306161874888755
Energy: 1.1316041742473262
Energy: 1.022685100609533
Energy: 1.0856284894288761
Energy: 1.0533197174485036
Energy: 1.034370655338312
Energy: 1.0572538858641694
Energy: 1.1421775137833476
Energy: 1.064369508357414
Energy: 1.0698513812074382
Energy: 1.0912342758554339
Energy: 1.0528658241286395
Energy: 1.1392237505548826
Energy: 1.0322769601608088
Energy: 1.2441357548720073
Energy: 1.1035440188792092
Energy: 1.0886679096842586
Energy: 1.0535387664926805
Energy: 1.0870490601387326
Energy: 1.1574426749270088
Energy: 1.0593297347923865
Energy: 1.0839967176352214
Energy: 1.0378759344982253
Energy: 1.086116065914869
Energy: 1.2225589506686714
Energy: 1.0592427475109563
Energy: 1.023925962920244
Energy: 1.0804097067943685
Energy: 1.1451132622959972
Energy: 1.0434559028862154
Energy: 1.0489220791840201
Energy: 1.0450242471955393
Energy: 1.0970497752045205
Energy: 1.1563927040037971
Energy: 1.0412680355527548
Energy: 1.0248104902418944
Energy: 0.992631155981889
Energy: 1.100126954380665
Energy: 1.1108580941228159
Energy: 1.1563201498274538
Energy: 1.1169816903956415
Energy: 1.0444206349160814
Energy: 1.0917851834018313
Energy: 1.1127572906574676
Energy: 1.0792931973269393
Energy: 1.0868294157282592
Energy: 1.0529928017483816
Energy: 1.131323139543311
Energy: 1.042862104444872
Energy: 1.122598021239188
Energy: 1.0462221386179495
Energy: 1.056502479809964
Energy: 1.1075182462599316
Energy: 1.1887930277239034
Energy: 1.1261175329383846
Energy: 1.0773448848228941
Energy: 1.0707957432456245
Energy: 1.0959336452956705
Energy: 1.082164508592849
Energy: 1.0652177980292223
Energy: 1.1314200889108754
Energy: 1.0509001484224805
Energy: 1.1049421099451726
Energy: 1.0765840809544787
Energy: 1.1093165305639976
Energy: 1.1241327531739187
Energy: 0.9891717208774151
Energy: 1.0493842779504399
Energy: 1.0221357481503763
Energy: 1.0923952770323775
Energy: 1.1708192076054595
Energy: 1.0881514664369738
Energy: 1.0645380174525247
Energy: 1.0520498359487538
Energy: 1.0774116531591813
Energy: 1.1889037562397677
Energy: 1.1025479053236626
Energy: 1.004036132923061
Energy: 1.047105624986693
Energy: 1.0699323149440203
Energy: 1.1688640890964657
Energy: 1.1212111838635195
Energy: 1.0237966505929916
Energy: 1.0704820100009265
Energy: 1.0185511734344337
Energy: 1.1883938230475646
Energy: 1.0386600769952263
Energy: 1.0701264216321276
Energy: 1.0939273954791784
Energy: 1.106298191577778
Energy: 1.082316283524728
Energy: 1.0603524777133113
Energy: 1.0411371316692737
Energy: 1.088748888781902
Energy: 1.1007783629979415
Energy: 1.1877628910674904
Energy: 1.0746786707174634
Energy: 1.0772373883273039
Energy: 1.045104049469619
Energy: 1.0838671499947363
Energy: 1.0563921902349416
Energy: 1.1662378836547178
Energy: 1.058867374533038
Energy: 1.040046035626724
Energy: 1.0803066042021803
Energy: 1.104900441520056
Energy: 1.0456630158548994
Energy: 1.0524616898652477
Energy: 1.0385259035082794
Energy: 1.1127078015645504
Energy: 1.2081393026000977
Energy: 1.055520777931345
Energy: 1.0574767037142048
Energy: 1.0426915877144298
Energy: 1.0464406682706726
Energy: 1.045518483323294
Energy: 1.1018566797725768
Energy: 1.054144840568441
Energy: 1.0599186832114684
Energy: 1.1055287654911345
Energy: 1.0536773027735542
Energy: 1.067241428318952
Energy: 1.0569311751747161
Energy: 1.06970472920914
Energy: 1.0889885670573032
Energy: 1.0981481671806301
Energy: 1.0818458287845434
Energy: 1.110045168889188
Energy: 1.0899945246851899
Energy: 1.0926688406611231
Energy: 1.071538466314277
Energy: 1.0631882129643986
Energy: 1.073919721142307
Energy: 1.0968511376247536
Energy: 1.1208441123468325
Energy: 1.0857340695008695
Energy: 1.0847343169022177
Energy: 1.0601294769301428
Energy: 1.1148309268695897
Energy: 1.064246202343615
Energy: 1.0954176449552961
Energy: 1.0863136199772214
Energy: 1.0844813331690717
Energy: 1.0970454091061905
Energy: 1.0782218658712899
Energy: 1.0543374602423679
Energy: 1.1110471047238002
Energy: 1.0311950656277942
Energy: 1.0244530572558652
Energy: 1.0785604789281458
Energy: 1.0772095552520715
Energy: 1.1237940770987522
Energy: 1.0731838865391314
Energy: 1.074315652123536
Energy: 1.0902402152147663
Energy: 1.0449316369347896
Energy: 1.119658680851814
Energy: 1.116084778275756
Energy: 1.0769872147768529
Energy: 1.043583215359667
Energy: 1.0930319895447198
Energy: 1.1079200599546606
Energy: 1.0682608678702294
Energy: 1.044716146293725
Energy: 1.0577582723794636
Energy: 1.0553680031873425
Energy: 1.0692870680490463
Energy: 1.075176368689465
Energy: 1.0679096020279728
Energy: 1.0482359451836145
Energy: 1.0754485853802394
Energy: 1.1208885630365317
Energy: 1.0756784865938438
Energy: 1.041415187295955
Energy: 1.0863008855664826
Energy: 1.038534951512562
Energy: 1.0571401683975936
Energy: 1.0874953941585837
Energy: 1.0387551848668872
Energy: 1.0574278298276707
Energy: 1.1063944089359488
Energy: 1.0543541144335389
Energy: 1.1359253584418998
Energy: 1.0444396876225417
Energy: 1.0608948792337196
Energy: 1.1276848570678273
Energy: 1.0944252278469537
Energy: 1.158200618589463
Energy: 1.1383781148689993
Energy: 1.0588456022378998
Energy: 1.074010503461092
Energy: 1.0962966151719935
Energy: 1.1314674819822366
Energy: 1.0187913693294206
Energy: 1.1210202118063883
Energy: 1.0648380203216883
Energy: 1.1629236242873295
Energy: 1.0310274266193946
Energy: 1.102878563614269
Energy: 0.9852390235999113
Energy: 1.0608952393358464
Energy: 1.2020705183531648
Energy: 1.0524649996801443
Energy: 1.151737170563977
Energy: 1.0385179989204716
Energy: 1.1260532534975185
Energy: 1.0756652728536835
Energy: 1.0699475855634293
Energy: 1.2275879802957914
Energy: 1.1442341013763395
Energy: 1.045329810834927
Energy: 1.0905919364503343
Energy: 1.039811391458639
Energy: 1.2224840593521145
Energy: 1.135225222036081
Energy: 1.105467848900456
Energy: 1.054567186980346
Energy: 1.1184237870109268
Energy: 1.0666764149590062
Energy: 1.1557922733584778
Energy: 1.025911712078021
Energy: 1.0533704027354671
Energy: 1.11923016820193
Energy: 1.0671856954372587
Energy: 1.1833142782620472
Energy: 1.055833862625359
Energy: 1.0508937722001994
Energy: 1.0441082436848232
Energy: 1.0578946171280486
Energy: 1.041499312446193
Energy: 1.0337710750072377
Energy: 1.033935220148118
Energy: 1.0376741751953857
Energy: 1.1057048673376715
Energy: 1.0621129618600083
Energy: 1.0450835374428598
Energy: 1.0747317724041785
Energy: 1.1204757587058358
Energy: 1.1008489459284272
Energy: 1.041179935082317
Energy: 1.030185550755551
Energy: 1.0777307835081538
Energy: 1.0895227857232996
Energy: 1.1037851843916617
Energy: 1.0581849066175815
Energy: 1.0548020788897514
Energy: 1.1049159775772628
Energy: 1.0715225225582634
Energy: 1.0747571021475906
Energy: 1.0862805772891881
Energy: 1.0961260617319093
Energy: 1.0726705227986686
Energy: 1.0991912211695505
Energy: 1.07283636963905
Energy: 1.1165247745600457
Energy: 1.0877892377774891
Energy: 1.0622098106672997
Energy: 1.0657442325688216
Energy: 1.1135526553060078
Energy: 1.0466204911774808
Energy: 1.0925890473338997
Energy: 1.0755567598628135
Energy: 1.0577824332799286
Energy: 1.0827014032476459
Energy: 1.0851789310901647
Energy: 1.0913393340634387
Energy: 1.0298722848463189
Energy: 1.0801328115768385
Energy: 1.0599349425711493
Energy: 1.0266997059080099
Energy: 1.0369880298704306
Energy: 1.0035480106161283
Energy: 1.0732108492681973
Energy: 1.0588972289656289
Energy: 1.0186649196966355
Energy: 1.0411748304093569
Energy: 1.0486020423022666
Energy: 1.1035142912304203
Energy: 1.1120877749228495
Energy: 1.0789293096466719
Energy: 1.0919105002495368
Energy: 1.002412706328474
Energy: 1.1034375524018782
Energy: 1.1126780956409448
Energy: 1.0755117295448018
Energy: 1.0696734233734746
Energy: 1.1099435975561487
Energy: 1.0921514531611525
Energy: 1.132307573208443
Energy: 1.0950118203938608
Energy: 1.068548499947106
Energy: 1.0498134042537077
Energy: 1.0662862119770922
Energy: 1.0872280399579717
Energy: 1.1256959524018808
Energy: 1.064794900923194

minimum gb energy = 0.9852390235999113 eV
minimum distance =  2.28261730536523 Angstroms
sigma value = 437


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

Energy: 1.090564836133607
Energy: 0.9415356552924651
Energy: 1.0359068939522107
Energy: 1.0285872892196428
Energy: 0.9076231156355797
Energy: 1.022879348251832
Energy: 0.9397712682054391
Energy: 1.0361670680681292
Energy: 1.0299111442038218
Energy: 0.9076722495556646
Energy: 1.0268481984235405
Energy: 1.0713989366288497
Energy: 1.1533693994491
Energy: 1.0604640060473787
Energy: 1.1010118515303553
Energy: 1.027776523366712
Energy: 1.0708726511953084
Energy: 1.154835056816745
Energy: 1.017092337808831
Energy: 1.1507503970849722
Energy: 0.9380865410252467
Energy: 0.9878162373888953
Energy: 0.9710191957418349
Energy: 0.9650905673822643
Energy: 1.0819463655846642
Energy: 0.9385846645210788
Energy: 1.0681528362427097
Energy: 0.9720750729464814
Energy: 0.9923147652232042
Energy: 1.0798555818261932
Energy: 0.9606652141759292
Energy: 0.9518309380977173
Energy: 0.9422853066653603
Energy: 0.928505665197433
Energy: 0.9700756984081492
Energy: 0.9492766796156058
Energy: 0.9448936952913827
Energy: 0.9427278299900314
Energy: 0.9160655749809312
Energy: 0.9712127154385872
Energy: 0.9578512803401883
Energy: 0.9441284167449833
Energy: 0.9422784066066495
Energy: 0.9649561674660444
Energy: 0.9121935499029993
Energy: 0.9564895915709237
Energy: 0.945692361591304
Energy: 0.9434753081362155
Energy: 0.9897461517271957
Energy: 0.9104306351177517
Energy: 0.9399499180245308
Energy: 0.9559405944705275
Energy: 1.0114014344412572
Energy: 0.9378244083255238
Energy: 1.0246011324932804
Energy: 0.9403985655181186
Energy: 0.9572943007123156
Energy: 0.9985850754688782
Energy: 0.9380371016226022
Energy: 1.019776902068243
Energy: 0.995541468936836
Energy: 0.987596255756954
Energy: 1.0158591321469126
Energy: 1.049089893742858
Energy: 1.0245924869617078
Energy: 0.9960426882673763
Energy: 0.9896830269384742
Energy: 0.9911786953776609
Energy: 1.0242493471307532
Energy: 0.9736581610495124
Energy: 1.0700998935523776
Energy: 0.9703497241485601
Energy: 0.9571240847826133
Energy: 1.1487159956985975
Energy: 1.0422431019284224
Energy: 0.9795938196239357
Energy: 1.026682867811037
Energy: 0.9576531093683819
Energy: 1.0406370563092309
Energy: 1.0409267751356295
Energy: 0.9477690602343014
Energy: 1.0441823953271359
Energy: 0.9406155018945787
Energy: 0.9704849566574615
Energy: 0.9719756908705621
Energy: 0.9486289570023292
Energy: 1.0450501654568465
Energy: 0.9799477875167176
Energy: 1.0457444277211279
Energy: 0.945866118560886
Energy: 0.9407148444936255
Energy: 1.102209095314156
Energy: 0.9574477278351395
Energy: 1.2144085496770283
Energy: 0.9413609908993142
Energy: 0.9206011239369993
Energy: 1.0909197696101882
Energy: 0.9572223407644533
Energy: 1.2121917414413346
Energy: 0.9416417470571002
Energy: 0.9581155955639761
Energy: 0.9403665056168544
Energy: 0.9480065841903949
Energy: 1.0246013586643967
Energy: 0.9452655362542864
Energy: 0.9601966855199469
Energy: 0.9412518254388621
Energy: 0.9447659019689267
Energy: 0.9699082004300809
Energy: 0.9577029884959968
Energy: 0.9403475696331176
Energy: 0.9425925140697317
Energy: 0.9298882076947269
Energy: 0.9849849352592169
Energy: 0.9277313082931087
Energy: 0.9408910663824644
Energy: 0.9429499613025182
Energy: 1.0938311830587506
Energy: 0.9941685207562669
Energy: 0.9261234182844619
Energy: 0.9412800060265737
Energy: 0.9576837122694202
Energy: 1.0629068005181816
Energy: 1.0431197353179293
Energy: 0.9957392928213796
Energy: 0.9411071187627472
Energy: 0.9568210065739998
Energy: 1.0903045166230616
Energy: 1.0157349071269683
Energy: 1.0024314079218446
Energy: 1.0100656872912086
Energy: 0.9471216934612867
Energy: 0.9951315131767899
Energy: 0.9476629112715297
Energy: 0.9363617403362549
Energy: 1.0574304548314895
Energy: 0.9462431090754436
Energy: 1.145273394786067
Energy: 0.9458318233005086
Energy: 0.938134645142221

minimum gb energy = 0.9076231156355797 eV
minimum distance =  2.32646849722146 Angstroms
sigma value = 33