Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4500211234222877e-19, 2.22186651249852e-19, 2.80006001617644e-19, 3.2500954109007e-19, 3.6110978500735796e-19, 3.908622051007379e-19, 4.15784062642608e-19, 4.36790200490982e-19, 4.54808278916946e-19, 4.70741925542076e-19, 4.851567087181739e-19, 4.982769331739999e-19, 5.1016187944501195e-19, 5.20832375827452e-19, 5.303108527941959e-19, 5.38621342994754e-19, 5.45792685608538e-19, 5.51848913285058e-19, 5.5682046738036e-19, 5.60742595780392e-19, 5.636697724907099e-19, 5.6566448240004e-19, 5.66803629986814e-19, 5.671657219060979e-19, 5.667876082204739e-19, 5.655731583319019e-19, 5.63382982873224e-19, 5.600440467679679e-19, 5.55335249640642e-19, 5.48979414933564e-19, 5.40620859433986e-19, 5.29796554094682e-19, 5.15921704444242e-19, 4.98265717937562e-19, 4.75960214839014e-19, 4.47978199926204e-19, 4.1306356671807596e-19, 3.6952762104239397e-19, 3.1497190447805995e-19, 2.46035050446942e-19, 1.581662364378264e-19, 4.5352173107984395e-20, -1.0030250577727259e-19, -2.8978568779157996e-19, -5.3950093796682e-19, -8.726863864201919e-19, -1.3218517992321898e-18, -1.94129334035244e-18, -2.8278257372436595e-18, -4.151800420515899e-18, -6.214474662660179e-18, -9.631757205318779e-18, -1.5870328604554318e-17, -2.91322175183586e-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: -2.67105988788208e-05 eV

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

Energy: 0.013653230861954822
Energy: 0.014285176672312177
Energy: 0.014127923595984231
Energy: 0.013855000156751644
Energy: 0.42589412756348266
Energy: 0.014009669747471113
Energy: 0.014285176672625785
Energy: 0.09808407778435882
Energy: 0.0995055769329261
Energy: 0.09816611200728932
Energy: 0.09817331278427949
Energy: 0.09930728283700815
Energy: 0.014127923595705466
Energy: 0.0995055769347729
Energy: 0.09912721837617779
Energy: 0.01415629985397968
Energy: 0.09818867232063477
Energy: 0.09882096085115988
Energy: 0.013855000156751644
Energy: 0.09816611200697573
Energy: 0.014156299853387306
Energy: 0.013937244908387023
Energy: 0.09813377479263938
Energy: 0.014031734846494536
Energy: 0.42589412756379624
Energy: 0.09817331278396586
Energy: 0.09818867231666241
Energy: 0.09813377479323175
Energy: 0.09814475922863573
Energy: 0.0980540984064037
Energy: 0.014009669748725547
Energy: 0.09930728284003969
Energy: 0.09882096085143864
Energy: 0.014031734846494536
Energy: 0.09805409840518409
Energy: 0.014097094636717322

minimum gb energy = 0.013653230861954822 eV
minimum distance =  2.55236593503261 Angstroms
sigma value = 1


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

Energy: 1.198598580001106
Energy: 0.7816353996800524
Energy: 0.8026013325190017
Energy: 0.7307724641359283
Energy: 1.1336291816997066
Energy: 0.8027060654281182
Energy: 1.121326280572679
Energy: 0.742480807555761
Energy: 0.7484553060303066
Energy: 0.7451186326010576
Energy: 0.7491064756288323
Energy: 0.7576271176234912
Energy: 0.7675998759744137
Energy: 0.748074648865335
Energy: 0.7601379468031945
Energy: 0.7624122009931357
Energy: 0.7478268424235839
Energy: 0.7475092682328455
Energy: 1.1939616033350315
Energy: 0.748782941035755
Energy: 0.7520736214388716
Energy: 0.748013772619475
Energy: 0.7476422952617368
Energy: 0.7534445529561833
Energy: 1.0820444858095781
Energy: 0.7564090335582555
Energy: 0.7561144842327447
Energy: 0.7441952346733997
Energy: 0.7573751871011174
Energy: 0.7549192444004613
Energy: 1.078507192064436
Energy: 0.7671586779174007
Energy: 0.7594044413665864
Energy: 0.7410565309632853
Energy: 0.7605520338249144
Energy: 0.7603692025707585
Energy: 1.0805043129149856
Energy: 0.7608562373380592
Energy: 0.7612700732683653
Energy: 0.7506527914949597
Energy: 0.753306526047136
Energy: 0.7600401683828221
Energy: 1.0395871244618586
Energy: 0.7603883780701128
Energy: 0.7612657765790267
Energy: 0.7075240115814869
Energy: 0.759797980247258
Energy: 0.7613133335315712
Energy: 0.8778473923424149
Energy: 0.7531009788659522
Energy: 0.7511603118530205
Energy: 0.7603530039223206
Energy: 0.7517659140590666
Energy: 0.7581661076723905
Energy: 0.8723752647099842
Energy: 0.7579363623620814
Energy: 0.7564716080015194
Energy: 0.7482453272164225
Energy: 0.744647041433163
Energy: 0.7567105632908259
Energy: 0.8650673608484726
Energy: 0.7476361568925834
Energy: 0.7462774796706221
Energy: 0.7818240641190769
Energy: 0.7468771443465455
Energy: 0.7508804652616514
Energy: 0.7813881087418125
Energy: 0.756132782465327
Energy: 0.7492088978320574
Energy: 0.7472347451114961
Energy: 0.7608279465115428
Energy: 0.7548669105855006
Energy: 0.7805224128840631
Energy: 0.7454302714981832
Energy: 0.745421364952872
Energy: 0.755657270802727
Energy: 0.7582996226056035
Energy: 0.7582539119994894
Energy: 0.8426071133096655
Energy: 0.7457906391383698
Energy: 0.7522966022809133
Energy: 0.7614276581636451
Energy: 0.74710978838303
Energy: 0.7458668067785996
Energy: 0.8094098612782317
Energy: 0.7443155042997109
Energy: 0.7549839667286813
Energy: 0.7656650197559964
Energy: 0.7438924272860408
Energy: 0.7492934193026647
Energy: 0.8133901338107342
Energy: 0.7540300256522336
Energy: 0.7475195457296093
Energy: 0.762643019690235
Energy: 0.7644823885265821
Energy: 0.7553014795511918
Energy: 1.0001976292710983
Energy: 0.7589471812391514
Energy: 0.7589286927635015
Energy: 0.7417589637208093
Energy: 0.7588504961077593
Energy: 0.7554434546382013
Energy: 0.9752179008828012
Energy: 0.7659917953652374
Energy: 0.7641800984336511
Energy: 0.7622103632377528
Energy: 0.7448797710324596
Energy: 0.7640248855452707
Energy: 0.9771143980446024
Energy: 0.7638008960485414
Energy: 0.7643156092143015
Energy: 0.7477823661220743
Energy: 0.7631635720852634
Energy: 0.7636341211270316
Energy: 1.033062895679853
Energy: 0.7637969283554438
Energy: 0.76446399066889
Energy: 0.7456477998804159
Energy: 0.7549008990690985
Energy: 0.763627178962511
Energy: 1.1259381280277865
Energy: 0.7510900913492448
Energy: 0.7471170162487492
Energy: 0.7466577110691826
Energy: 0.7416215396625168
Energy: 0.7488483889795625
Energy: 1.128863331602875
Energy: 0.7663472689129185
Energy: 0.7612339240127115
Energy: 0.7610651277061211
Energy: 0.7656142562415302
Energy: 0.7482280913472265
Energy: 1.1209931639858863
Energy: 0.7514206837293173
Energy: 0.7568554251838958
Energy: 0.7516328098610608
Energy: 0.743287784312579
Energy: 0.7566538374348702

minimum gb energy = 0.7075240115814869 eV
minimum distance =  2.37054154927409 Angstroms
sigma value = 33


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

Energy: 1.53428650109343
Energy: 0.8792875958005413
Energy: 0.793412960201309
Energy: 0.7956321641029227
Energy: 0.8304053678533497
Energy: 0.8708566315922717
Energy: 0.8408841474854694
Energy: 0.7693802183574767
Energy: 0.7735480367577668
Energy: 0.7913087150141023
Energy: 0.7846304236072544
Energy: 0.7817269539344545
Energy: 0.8381456352071522
Energy: 0.7832260094821879
Energy: 0.7890004043521017
Energy: 0.8446831911494868
Energy: 0.8063397215708795
Energy: 0.797207586661478
Energy: 1.2057533744461382
Energy: 0.8780129882300796
Energy: 0.8086326361220526
Energy: 0.8204376645168739
Energy: 0.8776618308770613
Energy: 0.8248465146999457
Energy: 0.7843535573183854
Energy: 0.7904348818457408
Energy: 0.800905159540989
Energy: 0.7927328689629651
Energy: 0.8023806234395687
Energy: 0.7896013554870318
Energy: 1.130736635631325
Energy: 0.871696246650671
Energy: 0.7880747419229093
Energy: 0.8440585294655826
Energy: 0.8096384293534532
Energy: 0.9132974667915003
Energy: 1.1300299470191542
Energy: 0.8286123295702277
Energy: 0.8329633267167676
Energy: 0.8564953930893906
Energy: 0.8201641600825462
Energy: 0.8429451141259551
Energy: 0.9938184709541086
Energy: 0.8465666650998853
Energy: 0.8477479011774278
Energy: 0.8071265095779206
Energy: 0.8436068400503356
Energy: 0.8521323350600322
Energy: 0.9517922743994071
Energy: 0.8469319910199266
Energy: 0.8546267931360194
Energy: 0.861026526271848
Energy: 0.847062546119255
Energy: 0.8565205344964751
Energy: 0.8484876096652173
Energy: 0.8513606609918011
Energy: 0.8530579764263357
Energy: 0.8218429356770042
Energy: 0.9236003033283375
Energy: 0.8508372546925479
Energy: 0.8809974988944204
Energy: 0.7800139312752422
Energy: 0.7804183253773277
Energy: 0.9069725249595147
Energy: 0.8176765898261072
Energy: 0.8170933583993304
Energy: 0.8560385492225043
Energy: 0.8161756087449553
Energy: 0.8224065762437663
Energy: 0.8512897165051341
Energy: 0.8460535788283496
Energy: 0.815960583488822
Energy: 0.8496779974483283
Energy: 0.8553293065700274
Energy: 0.8502909998783925
Energy: 0.8501918214088239
Energy: 0.8273651165436324
Energy: 0.8491306175772221
Energy: 0.847474123336425
Energy: 0.8259151363943898
Energy: 0.8150156818050185
Energy: 0.9268998734772848
Energy: 0.8208057580135637
Energy: 0.8153776390666272
Energy: 0.8524632841045011
Energy: 0.8518517362782857
Energy: 0.8500495106534804
Energy: 0.8439380754706948
Energy: 0.8510936024193803
Energy: 0.8333568578600913
Energy: 0.8566176280855944
Energy: 0.8562925844109106
Energy: 0.8503756080799011
Energy: 0.9295098367060625
Energy: 0.9095785488321202
Energy: 0.9116241550669846
Energy: 1.0142499653112726
Energy: 0.9043217137375038
Energy: 0.9047766181571968
Energy: 0.8916936583632258
Energy: 0.909175250433845
Energy: 0.9055266215566937
Energy: 1.0626853772598401
Energy: 0.8716747127494278
Energy: 0.8682149006457436
Energy: 0.8428941058373461
Energy: 0.9380681468203774
Energy: 0.8484247571468514
Energy: 1.0641245638502939
Energy: 0.9175260573631886
Energy: 0.9181227986520947
Energy: 0.8442636433175528
Energy: 0.9183034203811797
Energy: 0.9195017071918938
Energy: 0.7434753045568531
Energy: 0.916421200820415
Energy: 0.9170445825783897
Energy: 0.9095519331543718
Energy: 0.9224980626881006
Energy: 0.9171825149901813
Energy: 0.8484588166304788
Energy: 0.8495958455480928
Energy: 0.8168115320789323
Energy: 0.8175481480093288
Energy: 0.8443853051790853
Energy: 0.8167093750784354
Energy: 0.8430639858077613
Energy: 0.8961533764415672
Energy: 0.8978657737659623
Energy: 0.8478560022051439
Energy: 0.9142375169670598
Energy: 0.8969760470437543
Energy: 1.006729863847805
Energy: 0.909990705693883
Energy: 0.8911975221747824
Energy: 0.8914832675128688
Energy: 0.911874307057085
Energy: 0.916547875191822
Energy: 1.2531176906502561
Energy: 0.918816657902989
Energy: 0.8659910038153008
Energy: 0.8148422330441235
Energy: 0.9237443140122659
Energy: 0.8501081251717476
Energy: 1.0016520998170617
Energy: 0.9203552411380334
Energy: 0.9008346263654038
Energy: 0.8932327104126313
Energy: 0.92264940510579
Energy: 0.9144893067788844
Energy: 0.8698349508324483
Energy: 0.9244229986381156
Energy: 0.9109056574856587
Energy: 0.92125125112002
Energy: 0.9282928016593599
Energy: 0.913139374420266
Energy: 0.8846295503605192
Energy: 0.8276435430339121
Energy: 0.8354726786719513
Energy: 0.826912872385854
Energy: 0.8461594540629996
Energy: 0.828538068511644
Energy: 0.9914941823813521
Energy: 0.8474839276377731
Energy: 0.8479234342333699
Energy: 0.8694228883963816
Energy: 0.8434480097276725
Energy: 0.8645218540044074
Energy: 0.9313484151699789
Energy: 0.8432212639825599
Energy: 0.8485503068351031
Energy: 0.8566124707416064
Energy: 0.843755021982733
Energy: 0.855013130257672
Energy: 0.9365096231142718
Energy: 0.9233024946936874
Energy: 0.8512310400718613
Energy: 0.8594720579860645
Energy: 0.8463460976582504
Energy: 0.8484511875427295
Energy: 0.9087959522626855
Energy: 0.8142941721376243
Energy: 0.815776013781792
Energy: 0.831857802806341
Energy: 0.7724555090216055
Energy: 0.7798236722877898
Energy: 0.8373541255495266
Energy: 0.8142273202387619
Energy: 0.8049591578015918
Energy: 0.8358529058850745
Energy: 0.8161335342749292
Energy: 0.8080980849624135
Energy: 0.8375139252047961
Energy: 0.8562780158312935
Energy: 0.8575601692860294
Energy: 0.824291831839669
Energy: 0.841663537980175
Energy: 0.8352216680584684
Energy: 0.8719339800420687
Energy: 0.8151133673582146
Energy: 0.8158514291451517
Energy: 0.8233646117593152
Energy: 0.8208016119606962
Energy: 0.8159652053449273
Energy: 0.8556422921164095
Energy: 0.848502186354395
Energy: 0.917797556761925
Energy: 0.8580901113274203
Energy: 0.8212266033284992
Energy: 0.8533154885544451
Energy: 0.9740206261766357
Energy: 0.9024694744798238
Energy: 0.8433967571796214
Energy: 0.8533679064690604
Energy: 0.8829143225281647
Energy: 0.8692262683747282
Energy: 0.8526608850151571
Energy: 0.7800842370022649
Energy: 0.7622907855482993
Energy: 0.8025233950353584
Energy: 0.7829077737060379
Energy: 0.8636918001415826
Energy: 1.0651174334642493
Energy: 0.9256101018368971
Energy: 0.8032232269698054
Energy: 0.8463461593272985
Energy: 0.8014998041570466
Energy: 0.8652849576043926
Energy: 1.062206344882564
Energy: 0.807180021330218
Energy: 0.8082318651259964
Energy: 0.8433203917557525
Energy: 0.7972070412662561
Energy: 0.8486479086519622
Energy: 0.7773226667587305
Energy: 0.7955277201147776
Energy: 0.7948155129371131
Energy: 0.7910737988747003
Energy: 0.7948114226351762
Energy: 0.7920169362272758
Energy: 0.8374601454029748
Energy: 0.7843555790701255
Energy: 0.7558550251525047
Energy: 0.7561036099630136
Energy: 0.7687554498060192
Energy: 0.8295025140564459

minimum gb energy = 0.7434753045568531 eV
minimum distance =  2.31533831937522 Angstroms
sigma value = 51


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

Energy: 1.2432432214716111
Energy: 0.7789712674793814
Energy: 0.7780548675174924
Energy: 0.775594117372095
Energy: 0.7638159765649442
Energy: 0.8232118084646841
Energy: 1.0182697765483393
Energy: 0.8021714854037031
Energy: 0.7896389481457199
Energy: 0.7547707039113652
Energy: 0.801933040983522
Energy: 0.7749125854410216
Energy: 1.1195383112852813
Energy: 0.8023059707404844
Energy: 0.7747127764865154
Energy: 0.7751626325300677
Energy: 0.802686941738558
Energy: 0.7986054154792777
Energy: 1.1157540020966603
Energy: 0.7753335787074893
Energy: 0.7755289043124209
Energy: 0.7859857982888546
Energy: 0.775542507442302
Energy: 0.7864206429718615
Energy: 0.951619106075053
Energy: 0.808785181571893
Energy: 0.8079809359524324
Energy: 0.7691939532118158
Energy: 0.798135772896959
Energy: 0.8072880462853576
Energy: 0.950925264969564
Energy: 0.8072359498890344
Energy: 0.8073531195669035
Energy: 0.7982324888796682
Energy: 0.8066235184197098
Energy: 0.8071893615361301
Energy: 0.9511260015648513
Energy: 0.7688550571415882
Energy: 0.7682690098537408
Energy: 0.7980890340444471
Energy: 0.7550275885864908
Energy: 0.8067239134560008
Energy: 0.936901904287146
Energy: 0.7742315027335499
Energy: 0.7747818909936467
Energy: 0.7921033462051575
Energy: 0.7738616288622794
Energy: 0.7746281178214754
Energy: 0.8030623205307602
Energy: 0.7783679625405509
Energy: 0.779087061299223
Energy: 0.8028525461189127
Energy: 0.7792845515948325
Energy: 0.7953645265475418
Energy: 0.8020534471441065
Energy: 0.7783131403463244
Energy: 0.7767475894835454
Energy: 0.8021732150502429
Energy: 0.7788908872999523
Energy: 0.7894390465394066
Energy: 0.8202154110235562
Energy: 0.7754363963710309
Energy: 0.7742005190717778
Energy: 0.7808252674077722
Energy: 0.7778047520938655
Energy: 0.774992862549514
Energy: 0.83750230103729
Energy: 0.7788586026083354
Energy: 0.7787469610663089
Energy: 0.7854503252361443
Energy: 0.7757555392644815
Energy: 0.8086523304414973
Energy: 0.8371751205611789
Energy: 0.7864483393521278
Energy: 0.796098683082608
Energy: 0.8061762025477471
Energy: 0.778089658063545
Energy: 0.7958927820126204
Energy: 0.8381969881619129
Energy: 0.7884841211154351
Energy: 0.7884180589016133
Energy: 0.7752882725187251
Energy: 0.7883612218843484
Energy: 0.7884871506557243
Energy: 1.016478733875567
Energy: 0.7785512431905552
Energy: 0.7777707455530413
Energy: 0.7888602379424018
Energy: 0.7871223054018556
Energy: 0.7780177650439186
Energy: 1.0182684503121715
Energy: 0.8091027634081179
Energy: 0.7881584579567182
Energy: 0.7909610072835237
Energy: 0.8089043074707084
Energy: 0.7920545065205871
Energy: 1.025630877851696
Energy: 0.8082303057309526
Energy: 0.8074880273563964
Energy: 0.8063936320038767
Energy: 0.8084800699351813
Energy: 0.7960854240226787
Energy: 1.2112016838896906
Energy: 0.786411091476792
Energy: 0.7920134857863116
Energy: 0.7732035809994056
Energy: 0.7860857560674689
Energy: 0.7775932739448116

minimum gb energy = 0.7547707039113652 eV
minimum distance =  2.37041677487849 Angstroms
sigma value = 19


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

Energy: 1.050404966824687
Energy: 0.7689020277321079
Energy: 0.768995149644246
Energy: 0.8491403532751106
Energy: 0.7476498689492362
Energy: 0.7682193052235287
Energy: 1.0556053081141268
Energy: 0.7478925591318955
Energy: 0.7478027576532661
Energy: 0.7757880469915678
Energy: 0.7477254265439598
Energy: 0.7478434712627787
Energy: 0.8949424764067769
Energy: 0.7480304698926252
Energy: 0.7479765970062632
Energy: 0.7811689452248757
Energy: 0.7479653490449008
Energy: 0.747770970767327
Energy: 0.8902246639750322
Energy: 0.7481790196369397
Energy: 0.7476699597193185
Energy: 0.7715025453365811
Energy: 0.7475161482496198
Energy: 0.7477984790161499
Energy: 0.8966002638849893
Energy: 0.747774540213186
Energy: 0.7750661720223357
Energy: 0.7760250645190053
Energy: 0.7476491961349984
Energy: 0.7754906539569332
Energy: 0.8968778821157545
Energy: 0.7267664461311715
Energy: 0.7744897031094248
Energy: 0.7765630176243346
Energy: 0.7267794100610676
Energy: 0.7751713197858026
Energy: 0.8964177018293624
Energy: 0.7752444029982475
Energy: 0.7749595820416648
Energy: 0.7765487900879819
Energy: 0.7343320366715594
Energy: 0.7759725423958995
Energy: 0.8423130687287074
Energy: 0.7348416557197672
Energy: 0.7345230952287134
Energy: 0.7484551423001247
Energy: 0.7438568421781183
Energy: 0.7277757176424955
Energy: 0.7478553943878378
Energy: 0.7351921370481821
Energy: 0.7274840400914572
Energy: 0.74785801438608
Energy: 0.7346124424194109
Energy: 0.726788382314566
Energy: 0.7488698274765437
Energy: 0.7483686588495636
Energy: 0.7479664814399248
Energy: 0.7480123005931332
Energy: 0.7809261204897499
Energy: 0.7478798338215055
Energy: 0.7461765322384547
Energy: 0.7720464787161783
Energy: 0.7724220691697316
Energy: 0.7471444007602352
Energy: 0.772809213391626
Energy: 0.7476296356564243
Energy: 0.8951703881551788
Energy: 0.7766944978953619
Energy: 0.7745699535165353
Energy: 0.7474449867879415
Energy: 0.7807951543532351
Energy: 0.7476611111582496
Energy: 0.7265592010557226
Energy: 0.7756824347502486
Energy: 0.7758699551415508
Energy: 0.7288415247788963
Energy: 0.776528176506473
Energy: 0.7761187359552042
Energy: 0.8960767551960238
Energy: 0.7755489670127331
Energy: 0.7755847431412497
Energy: 0.7478408837437095
Energy: 0.775563145041084
Energy: 0.7753868322702379
Energy: 1.055225075101144
Energy: 0.7478325524133649
Energy: 0.7479139259504695
Energy: 0.7347610349549218
Energy: 0.7476709071891225
Energy: 0.7272377370924786
Energy: 1.0523066043270406
Energy: 0.7495862825792381
Energy: 0.7282182237083134
Energy: 0.7287913723646466
Energy: 0.7479816192226313
Energy: 0.7344027367244242
Energy: 0.8967643434602597
Energy: 0.7478331997294778
Energy: 0.7478915257457935
Energy: 0.7755919304061003
Energy: 0.7479229885212763
Energy: 0.7479163065087137
Energy: 0.8915288035471292
Energy: 0.7477175537792208
Energy: 0.7478263755133103
Energy: 0.7714998552829533
Energy: 0.7477944167027959
Energy: 0.7478345928108628
Energy: 0.8887199974775039
Energy: 0.7480699962596378
Energy: 0.7479613982444405
Energy: 0.7715665382917405
Energy: 0.7480464496577127
Energy: 0.747974474351419
Energy: 0.8960702872580862
Energy: 0.7267228084660048
Energy: 0.7755475659905644
Energy: 0.7751556325875382
Energy: 0.7265800513626428
Energy: 0.774100806629906
Energy: 0.8923293271967153
Energy: 0.7749363466262681
Energy: 0.7750495441335994
Energy: 0.7766615762867748
Energy: 0.7477478902700752
Energy: 0.7753988755172936
Energy: 0.8957746581763316
Energy: 0.7752995778223198
Energy: 0.7748746344140754
Energy: 0.7748996127052751
Energy: 0.7345602612091687
Energy: 0.7747536568145934
Energy: 0.844201874862836
Energy: 0.7287453391898976
Energy: 0.7280301923359258
Energy: 0.8444428574808072
Energy: 0.7278430638566074
Energy: 0.7269359975083102
Energy: 0.74780853058208
Energy: 0.7489256713556609
Energy: 0.7480114074593792
Energy: 0.7476910214087018
Energy: 0.7671465913458573
Energy: 0.7478278686671883
Energy: 0.7478683903733564
Energy: 0.7574810147850188
Energy: 0.7479896555087168
Energy: 0.7480062102900888
Energy: 0.7810866888778162
Energy: 0.7478818585746143
Energy: 0.8454506146432313
Energy: 0.7719713933377573
Energy: 0.7728876413223688
Energy: 0.8451334040164549
Energy: 0.7715145576616762
Energy: 0.7476662225534091
Energy: 0.8957708436147618
Energy: 0.7751019768283433
Energy: 0.7753872321448398
Energy: 0.7477469912359038
Energy: 0.7765990350426848
Energy: 0.7751320636939999
Energy: 0.7266126269784945
Energy: 0.7766076468724143
Energy: 0.7755825442197396
Energy: 0.7267182928828501
Energy: 0.7766244973020948
Energy: 0.7739661695169148
Energy: 0.844796243200511
Energy: 0.7763555811492958
Energy: 0.7757834631768703
Energy: 0.7348057931706617
Energy: 0.7767648136030466
Energy: 0.775470133311102
Energy: 1.0538285647576264
Energy: 0.7481553788417213
Energy: 0.7267461422609525
Energy: 0.7419199978955183
Energy: 0.7479574834918427
Energy: 0.7355561345798779

minimum gb energy = 0.7265592010557226 eV
minimum distance =  2.39969206018781 Angstroms
sigma value = 27


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

Energy: 0.8964723995489046
Energy: 0.7923648282243163
Energy: 0.8985166753015472
Energy: 0.7541779990431103
Energy: 0.7207090012589776
Energy: 0.7905590104690633
Energy: 0.7856921441259
Energy: 0.7524994318360311
Energy: 0.7035879347116152
Energy: 0.7084790873532247
Energy: 0.7524046324690664
Energy: 0.6724804439348808
Energy: 0.8031473489623153
Energy: 0.7533609078542479
Energy: 0.7034214625717071
Energy: 0.672744771076683
Energy: 0.7535651451320937
Energy: 0.7053344858723023
Energy: 0.7041911080696118
Energy: 0.704460071270125
Energy: 0.7052073027122293
Energy: 0.6958819201753599
Energy: 0.7202224209631617
Energy: 0.7032876974032548
Energy: 0.8770763953097617
Energy: 0.6843392638570456
Energy: 0.6939173048094752
Energy: 0.7535519833056791
Energy: 0.6871408009035188
Energy: 0.6951303133038053
Energy: 0.7525017657397797
Energy: 0.6851981155469443
Energy: 0.6841654902199927
Energy: 0.7525265842415354
Energy: 0.6887409891262017
Energy: 0.68386994330679
Energy: 0.7535797117287005
Energy: 0.6950711892138348
Energy: 0.694106038171982
Energy: 0.7538438358113961
Energy: 0.7076996059909988
Energy: 0.7044050851192704
Energy: 0.7533787112291304
Energy: 0.690581943845488
Energy: 0.6907281034036136
Energy: 0.7535584722803836
Energy: 0.6903695734512089
Energy: 0.6911871504739693
Energy: 0.8031832689164317
Energy: 0.6900672679896104
Energy: 0.6722222163869502
Energy: 0.7527256133797078
Energy: 0.690676326490362
Energy: 0.7031101468465251
Energy: 0.7021398848216337
Energy: 0.7255635192228997
Energy: 0.7256481126287198
Energy: 0.7399513497936635
Energy: 0.6954447830191102
Energy: 0.7341846890219511
Energy: 0.8034106773769714
Energy: 0.7413140981898083
Energy: 0.7392093545606994
Energy: 0.7047780834720945
Energy: 0.7410587935337504
Energy: 0.738168097721035
Energy: 0.7856921434944744
Energy: 0.7035551923813398
Energy: 0.7030917259054618
Energy: 0.7087503572469492
Energy: 0.7534463697336565
Energy: 0.6724271272428038

minimum gb energy = 0.6722222163869502 eV
minimum distance =  2.41791328855539 Angstroms
sigma value = 9


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

Energy: 1.4935429335345702
Energy: 0.6468884625338044
Energy: 0.6254187663582778
Energy: 0.6498811756150067
Energy: 0.7112548710310629
Energy: 0.6543581570789381
Energy: 0.630221637659167
Energy: 0.6530587833784288
Energy: 0.6482631388047576
Energy: 0.6347751981982472
Energy: 0.6528178182261813
Energy: 0.6360771949342989
Energy: 0.6853422879801812
Energy: 0.6530963421366058
Energy: 0.6532961708971793
Energy: 0.6511074409779526
Energy: 0.6540107319755423
Energy: 0.6472182396173664
Energy: 0.687679957035605
Energy: 0.6151215029228185
Energy: 0.6147020830929192
Energy: 0.6484936462399021
Energy: 0.6606500003342093
Energy: 0.6146385597278679
Energy: 0.7256370863262401
Energy: 0.6337481098097996
Energy: 0.6655761380904599
Energy: 0.6629307659007924
Energy: 0.6334099350908301
Energy: 0.6447914637864126
Energy: 0.6634588713937332
Energy: 0.6279328297600583
Energy: 0.6647644706035654
Energy: 0.6635488565153036
Energy: 0.6342306698084911
Energy: 0.6366006996143072
Energy: 0.6632005235710628
Energy: 0.6152885420282823
Energy: 0.6145739452299611
Energy: 0.6642799239439063
Energy: 0.6348231201369079
Energy: 0.6688320355093427
Energy: 0.6654202880605423
Energy: 0.6413710671870513
Energy: 0.6473842262999254
Energy: 0.6629888538675636
Energy: 0.6414701534406274
Energy: 0.6329143930673967
Energy: 0.7858182170499864
Energy: 0.6476420886134254
Energy: 0.6695221460551455
Energy: 0.667862555353484
Energy: 0.6514839644191143
Energy: 0.6529042928496809
Energy: 0.6352185961668657
Energy: 0.6159461235311581
Energy: 0.6178026428717802
Energy: 0.6334588467506532
Energy: 0.6563502644473403
Energy: 0.6150379353841774
Energy: 0.6285309913951276
Energy: 0.6633590201195885
Energy: 0.6684097134414747
Energy: 0.6431560505361008
Energy: 0.6633314729466792
Energy: 0.6659713584770081
Energy: 0.7994438154921336
Energy: 0.6638128761856914
Energy: 0.6638274520239706
Energy: 0.6258887721352345
Energy: 0.663825687530712
Energy: 0.6453100358332657
Energy: 0.9136872884961162
Energy: 0.7915347355902544
Energy: 0.6129917621190142
Energy: 0.6169549531200399
Energy: 0.6494772512532841
Energy: 0.6163828585112051
Energy: 0.7958130793686228
Energy: 0.6636394042123703
Energy: 0.6444287106829195
Energy: 0.625953013113345
Energy: 0.6631799205406825
Energy: 0.6455458534474521
Energy: 0.6531749568911108
Energy: 0.645964342298081
Energy: 0.6458312787822353
Energy: 0.6532493155048625
Energy: 0.6476621365893148
Energy: 0.6881686020110221
Energy: 0.6533365141967904
Energy: 0.6351369524092222
Energy: 0.6522792424841927
Energy: 0.6539212186340041
Energy: 0.6507780322551495
Energy: 0.6468415788045537
Energy: 0.651964583172718
Energy: 0.6245781402928244
Energy: 0.6435887027613544
Energy: 0.6518124877096034
Energy: 0.6246854064668725
Energy: 0.6357981952186749
Energy: 0.6860500086275716
Energy: 0.6141634413557991
Energy: 0.6432260131812895
Energy: 0.6513835779596262
Energy: 0.6424889958391824
Energy: 0.6463795652329343
Energy: 0.6855663373662004
Energy: 0.63289830359452
Energy: 0.6331640781203618
Energy: 0.6524298961675309
Energy: 0.6427891015882071
Energy: 0.6299572190741152
Energy: 0.6849177791649923
Energy: 0.6430885976228782
Energy: 0.6353319824761456
Energy: 0.6421304901489021
Energy: 0.6421635868014155
Energy: 0.6382138038218997
Energy: 0.6847919993871561
Energy: 0.6549915523403392
Energy: 0.6335870924068642
Energy: 0.6569313628061229
Energy: 0.6537828775225349
Energy: 0.637552622166227
Energy: 0.7258371892880853
Energy: 0.6688207692651198
Energy: 0.6440038048444503
Energy: 0.6348400638539289
Energy: 0.6523209338088807
Energy: 0.6078937227701665
Energy: 0.7347743074759504
Energy: 0.6521452498180232
Energy: 0.6500477110505827
Energy: 0.6342789854271969
Energy: 0.6521822165818135
Energy: 0.6083317343358537
Energy: 0.6846273579378105
Energy: 0.6556963858239693
Energy: 0.6555212580193683
Energy: 0.6582676930322487
Energy: 0.6536863163276497
Energy: 0.6466051489862179
Energy: 0.9197560952988393
Energy: 0.665387763547447
Energy: 0.6453194702364964
Energy: 0.6489290645997804
Energy: 0.6545149694248373
Energy: 0.6473430463656261
Energy: 0.6841122837003818
Energy: 0.6255795318735062
Energy: 0.6150830943138613
Energy: 0.6644130058609125
Energy: 0.6259750174426473
Energy: 0.6458196428912234
Energy: 0.6322553855089093
Energy: 0.6421622590270121
Energy: 0.6176923881079529
Energy: 0.632290159029431
Energy: 0.6446504527657251
Energy: 0.6415169044868648
Energy: 0.6634947748785007
Energy: 0.6149197137121452
Energy: 0.6152204334689371
Energy: 0.663719657590902
Energy: 0.6258941193849539
Energy: 0.667302595475422
Energy: 0.6633925957662352
Energy: 0.6396138175082126
Energy: 0.6675295321944938
Energy: 0.6636435251367823
Energy: 0.6401175913570777
Energy: 0.6691539283374848
Energy: 0.66935518298279
Energy: 0.6444274029973188
Energy: 0.6467437932619232
Energy: 0.6556598881457141
Energy: 0.6416932024786955
Energy: 0.6184339859395808
Energy: 0.6284914519637217
Energy: 0.624374216308799
Energy: 0.6493117180197877
Energy: 0.6421865357287633
Energy: 0.6484942388789656
Energy: 0.6696326458408739
Energy: 0.632909130774092
Energy: 0.6630416446715576
Energy: 0.6397429372623182
Energy: 0.6333585150650836
Energy: 0.6627693789914864
Energy: 0.6152096252259468
Energy: 0.7982124325098445
Energy: 0.6637188810556929
Energy: 0.6632262624928639
Energy: 0.6590517432066367
Energy: 0.6653362396177379
Energy: 0.6148461763174827
Energy: 0.6801802047077872
Energy: 0.6634472387590028
Energy: 0.6638596532036456
Energy: 0.641054135776026
Energy: 0.6632729694467286
Energy: 0.6175629790682504
Energy: 0.6769941423683572
Energy: 0.6451358411230359
Energy: 0.6469447682439655
Energy: 0.640345220721799
Energy: 0.6629259977663645
Energy: 0.6454819827783456
Energy: 0.6793983795904247
Energy: 0.6463894655254921
Energy: 0.6446672306285364
Energy: 0.65320723905679
Energy: 0.6499513937863745
Energy: 0.6200012190915661
Energy: 0.6537663140282856
Energy: 0.6508165200702718
Energy: 0.6469838331071682
Energy: 0.6533612349265381
Energy: 0.6487491183420065
Energy: 0.6476632154090685
Energy: 0.6520255426655587
Energy: 0.6317600403626246
Energy: 0.6315937231503779
Energy: 0.6522120725047297
Energy: 0.6372003079661721
Energy: 0.6530616170243564
Energy: 0.6818709789342269
Energy: 0.6138444962659115
Energy: 0.6139916568568937
Energy: 0.6349537698526554
Energy: 0.6142323091364297
Energy: 0.6413626115676346
Energy: 0.6845788828243751
Energy: 0.6332443362122698
Energy: 0.6317577287155974
Energy: 0.6519233108409369
Energy: 0.6325002181283365
Energy: 0.6399616189111573
Energy: 0.6836720015100356
Energy: 0.6424790944315112
Energy: 0.6392244307943998
Energy: 0.6403621667708435
Energy: 0.6443655285327937
Energy: 0.6359914991012321
Energy: 0.6858406581336063
Energy: 0.6444726851606298
Energy: 0.6453459678124442
Energy: 0.6544165514301533
Energy: 0.6436593756881965
Energy: 0.6434198153997923
Energy: 0.7236290976875939
Energy: 0.6523051896325892
Energy: 0.6403526780796389
Energy: 0.6342873806296704
Energy: 0.6524588348940008
Energy: 0.6082615005512012

minimum gb energy = 0.6078937227701665 eV
minimum distance =  2.37261570622604 Angstroms
sigma value = 57


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

Energy: 0.32630969448778735
Energy: 0.3394356778842456
Energy: 0.36088962148078096
Energy: 0.32749668833294
Energy: 0.3677703700500403
Energy: 0.32910140563340884
Energy: 0.32723710366567643
Energy: 0.3456851809406973
Energy: 0.3478281256703515
Energy: 0.363092701535206
Energy: 0.3658266706864023
Energy: 0.35094536180245633
Energy: 0.40265299504365437
Energy: 0.369425316884834
Energy: 0.3494817324802074
Energy: 0.3652124647791152
Energy: 0.3671518921487238
Energy: 0.34874636621895755
Energy: 0.40274277564801375
Energy: 0.36942717778656675
Energy: 0.3495433042132245
Energy: 0.366407179784214
Energy: 0.37285045262792055
Energy: 0.3480292430323911
Energy: 0.39845120176881
Energy: 0.3299195620607286
Energy: 0.3447793828470125
Energy: 0.40541579796620786
Energy: 0.3280997330190604
Energy: 0.3592206977775105
Energy: 0.36653106812045355
Energy: 0.32879553050926114
Energy: 0.33058450856383703
Energy: 0.34568174452238054
Energy: 0.33192446128919956
Energy: 0.34462323704646786
Energy: 0.3613202361460581
Energy: 0.3457598446525019
Energy: 0.3480415546575834
Energy: 0.3621555203457113
Energy: 0.34283598532849474
Energy: 0.3527061392890935
Energy: 0.3667097241369885
Energy: 0.34948484849579164
Energy: 0.3515711451644052
Energy: 0.3669968166198767
Energy: 0.3455350364057758
Energy: 0.3477756273255092
Energy: 0.398014124502782
Energy: 0.34893440773589796
Energy: 0.35422362076102704
Energy: 0.36670561881379543
Energy: 0.36465872727750576
Energy: 0.348204423600427
Energy: 0.33227006466721754
Energy: 0.36946123149681864
Energy: 0.33037088580903423
Energy: 0.327458891625922
Energy: 0.3645794091119854
Energy: 0.3441403236454924
Energy: 0.32717169194536405
Energy: 0.3468828247801934
Energy: 0.34970619846089435
Energy: 0.32763440927183035
Energy: 0.3433703063753899
Energy: 0.3304477241973154
Energy: 0.3998418189555136
Energy: 0.3686224669488339
Energy: 0.35160429173528224
Energy: 0.3636223331579121
Energy: 0.3650338351773314
Energy: 0.35116489096802667
Energy: 0.4031222113618354
Energy: 0.40567605797966094
Energy: 0.36715227862021027
Energy: 0.34669172987582775
Energy: 0.4034117835443425
Energy: 0.3688929587639674
Energy: 0.3988647507159338
Energy: 0.36766866632321643
Energy: 0.3567141025992177
Energy: 0.36529677443848496
Energy: 0.3645965084050426
Energy: 0.35322329621257315
Energy: 0.40255743465717514
Energy: 0.3334897425558675
Energy: 0.328821514994526
Energy: 0.36661803969805307
Energy: 0.329113602089274
Energy: 0.3289111454831652
Energy: 0.3639941159005398
Energy: 0.348278034330333
Energy: 0.3517804137024799
Energy: 0.36497042664515367
Energy: 0.32878658149210355
Energy: 0.34873783578256495
Energy: 0.3662123029850268
Energy: 0.3406626034036268
Energy: 0.35565093552214483
Energy: 0.366580017039255
Energy: 0.3658339254264358
Energy: 0.35033322650034915
Energy: 0.40259495062105277
Energy: 0.3488464554350729
Energy: 0.3581095024319968
Energy: 0.4033999304015718
Energy: 0.3461060429680244
Energy: 0.3475654814876465
Energy: 0.32717642454269596
Energy: 0.34639771870044894
Energy: 0.3473311809494801
Energy: 0.3277232889137904
Energy: 0.3474065394014702
Energy: 0.3615871096625241

minimum gb energy = 0.32630969448778735 eV
minimum distance =  2.4312092921328 Angstroms
sigma value = 11


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

Energy: 1.0118902098292444
Energy: 0.5248695414262532
Energy: 0.6333339314537259
Energy: 0.5566559215531964
Energy: 0.5313204792965325
Energy: 0.6279123432505069
Energy: 0.5467149069263659
Energy: 0.5352607292353849
Energy: 0.5359043546452049
Energy: 0.5341203970350844
Energy: 0.5280084392142645
Energy: 0.5313936301827478
Energy: 0.5270254005546147
Energy: 0.5323222205957885
Energy: 0.5339623694168992
Energy: 0.5276167342763717
Energy: 0.532170081387415
Energy: 0.5247828195775533
Energy: 0.5268649020392714
Energy: 0.5388593397061542
Energy: 0.5397088302989251
Energy: 0.5275394708547404
Energy: 0.5254102051120416
Energy: 0.5303093925050805
Energy: 0.5247597288187306
Energy: 0.617022755227973
Energy: 0.576382341728765
Energy: 0.5441448823019
Energy: 0.5352187615338606
Energy: 0.5303986602251716
Energy: 0.5654755499752547
Energy: 0.5778138082303896
Energy: 0.5806792699372234
Energy: 0.5355682384877258
Energy: 0.5285999673545128
Energy: 0.5677533458044273
Energy: 0.5649218490367897
Energy: 0.5271343286073864
Energy: 0.5312149697217459
Energy: 0.5250255828487917
Energy: 0.5335513701276858
Energy: 0.5254848618500216
Energy: 0.5393034500476707
Energy: 0.5384049729564232
Energy: 0.5407072332422282
Energy: 0.538173323659192
Energy: 0.5376434926964809
Energy: 0.5380841509124884
Energy: 0.5654838723030474
Energy: 0.5304958283056628
Energy: 0.5225081241548595
Energy: 0.5408491272618201
Energy: 0.5250997174954833
Energy: 0.5318081795575431
Energy: 0.7327880055458903
Energy: 0.5662663253847813
Energy: 0.5668973667393561
Energy: 0.530813833376773
Energy: 0.5832135103336634
Energy: 0.5797494234516528
Energy: 0.5979672580345579
Energy: 0.5651359258690827
Energy: 0.5666413582816914
Energy: 0.5335079982215571
Energy: 0.5756519858515867
Energy: 0.5762500269835216
Energy: 0.6507430568607466
Energy: 0.5156742904802162
Energy: 0.522908379971781
Energy: 0.6076008956598496
Energy: 0.5123952310844284
Energy: 0.5327706540693671
Energy: 0.6272965950972782
Energy: 0.5177023512950659
Energy: 0.5427975009837703
Energy: 0.541128964162583
Energy: 0.5139045671608313
Energy: 0.5412434568151732
Energy: 0.626498638084749
Energy: 0.6166052789157268
Energy: 0.6148048520273627
Energy: 0.5336990119939929
Energy: 0.6198932000002363
Energy: 0.6144998141304954
Energy: 0.6293346001773846
Energy: 0.5375227133222057
Energy: 0.5560397711265345
Energy: 0.5869032339754474
Energy: 0.5422445760771779
Energy: 0.5324251380915129
Energy: 0.7775057298607209
Energy: 0.6168170490598727
Energy: 0.6151441673539996
Energy: 0.5747572138981035
Energy: 0.5804115170509089
Energy: 0.6153267404200112
Energy: 0.8609741127305227
Energy: 0.5762193179204823
Energy: 0.5393971217018797
Energy: 0.7472590509222186
Energy: 0.5886606246312379
Energy: 0.5248114255339217
Energy: 0.9841213258789705
Energy: 0.5732744790853537
Energy: 0.6158273836008075
Energy: 0.5402536233233275
Energy: 0.5744982633412662
Energy: 0.6158577054282597
Energy: 0.7799502681835223
Energy: 0.5343759750803825
Energy: 0.5825642043864593
Energy: 0.5251382060180169
Energy: 0.5342279369147512
Energy: 0.5796572794158698
Energy: 0.7050612221272404
Energy: 0.6464833724925769
Energy: 0.5371499145719636
Energy: 0.6569658378632995
Energy: 0.6233334179648543
Energy: 0.538261114570523
Energy: 0.7774718912923556
Energy: 0.5787512744364971
Energy: 0.5765143897528618
Energy: 0.5682707899239909
Energy: 0.6163997532192644
Energy: 0.5676685675514908
Energy: 0.7450822415477977
Energy: 0.5452331177921013
Energy: 0.5259143679023478
Energy: 0.7917873312209744
Energy: 0.5414867742877983
Energy: 0.6195251753791547
Energy: 0.5258993873114487
Energy: 0.5805540659784667
Energy: 0.5695922226629512
Energy: 0.527787045330856
Energy: 0.5790543043781371
Energy: 0.5675242764029099
Energy: 0.533737370163264
Energy: 0.5296472542696266
Energy: 0.5249887698844802
Energy: 0.5340347483237384
Energy: 0.5277454181709187
Energy: 0.5312296996423301
Energy: 0.623888056920166
Energy: 0.5268577590732991
Energy: 0.543408099318674
Energy: 0.5990206120707563
Energy: 0.5264331431086325
Energy: 0.5313985501480954
Energy: 0.5937384776655861
Energy: 0.5258011040496835
Energy: 0.5289030309833881
Energy: 0.5262949922781965
Energy: 0.541495910648246
Energy: 0.5095216454841562

minimum gb energy = 0.5095216454841562 eV
minimum distance =  2.38658326005113 Angstroms
sigma value = 41


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

Energy: 1.1233936877508697
Energy: 0.6000534509753964
Energy: 0.5994196913289788
Energy: 0.6468496843128854
Energy: 0.6268421447968078
Energy: 0.6467649745523756
Energy: 0.5881634523732858
Energy: 0.5724173875044176
Energy: 0.562105171250047
Energy: 0.5658106447581287
Energy: 0.5660131622894927
Energy: 0.5612840752018229
Energy: 0.5673829109445077
Energy: 0.562748608321535
Energy: 0.5623276546388221
Energy: 0.5663834874367751
Energy: 0.5672680264678481
Energy: 0.5615332051896573
Energy: 0.5670950072732815
Energy: 0.5719749849481198
Energy: 0.5625437884823384
Energy: 0.5683342865896298
Energy: 0.5658789572158092
Energy: 0.566395228443971
Energy: 0.5648550634971807
Energy: 0.582798587369066
Energy: 0.5740885582554406
Energy: 0.5797407935828267
Energy: 0.5626852901757308
Energy: 0.5628127548000011
Energy: 0.6256608800704216
Energy: 0.5729060312610095
Energy: 0.5730407226740336
Energy: 0.5803205693344199
Energy: 0.5692390126183846
Energy: 0.568631986391368
Energy: 0.6286818233866005
Energy: 0.5662836627212231
Energy: 0.568284695013264
Energy: 0.5665212895551851
Energy: 0.5799758819181959
Energy: 0.5638597394436172
Energy: 0.5878953644917032
Energy: 0.5983532448594138
Energy: 0.5983649123130482
Energy: 0.5416590844659355
Energy: 0.5981123676143847
Energy: 0.5583188650110297
Energy: 0.6282830515417696
Energy: 0.5629363213896785
Energy: 0.5620454082378763
Energy: 0.5806892721344471
Energy: 0.5657679639255263
Energy: 0.5622086326635091
Energy: 0.8306257415370083
Energy: 0.567595370364157
Energy: 0.5652689888788475
Energy: 0.7306439259004134
Energy: 0.5837498285838613
Energy: 0.5719460450545709
Energy: 0.6286473549131277
Energy: 0.5674473297609333
Energy: 0.5614919003509315
Energy: 0.5670661204303534
Energy: 0.5795308156446736
Energy: 0.5620157040689486
Energy: 0.6819700149288552
Energy: 0.5416593797792558
Energy: 0.5414270836770884
Energy: 0.5831492811404685
Energy: 0.5412620733593637
Energy: 0.572328476953548
Energy: 0.567131847078742
Energy: 0.5410878738511082
Energy: 0.5412619801224968
Energy: 0.5834009970123497
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Energy: 0.5683676229052244
Energy: 0.5796993601107627
Energy: 0.5622143288250356
Energy: 0.5669533894252379
Energy: 0.5802493237769109
Energy: 0.5621140720058272
Energy: 0.5996082550622923
Energy: 0.5698540487515126
Energy: 0.5948914999184458
Energy: 0.599135505194906
Energy: 0.5718581605195517
Energy: 0.5949728375547554
Energy: 0.5652945265590097
Energy: 0.5809094886587858
Energy: 0.5627275800465535
Energy: 0.5801186252418133
Energy: 0.5659492536980028
Energy: 0.5633498682082081
Energy: 1.0727700577846506
Energy: 0.5673222035666792
Energy: 0.5765108209422753
Energy: 0.590875835048955
Energy: 0.5728569347380409
Energy: 0.5416039245007168
Energy: 0.5879286917817015
Energy: 0.5673224247902212
Energy: 0.5675120230410173
Energy: 0.539535299926595
Energy: 0.5786687760929431
Energy: 0.541875772242001
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Energy: 0.5679396634486363
Energy: 0.5633923210299284
Energy: 0.5677396657714131
Energy: 0.5664228532919854
Energy: 0.5634475700654397
Energy: 0.565701039569134
Energy: 0.5663138427376698
Energy: 0.562386137474253
Energy: 0.5662777650242637
Energy: 0.5678015554616118
Energy: 0.5639002302264408
Energy: 0.5650383349288965
Energy: 0.5633154018076378
Energy: 0.5610785635369303
Energy: 0.5655687317337363
Energy: 0.5664088612728141
Energy: 0.5612135629170205
Energy: 0.7301064676865128
Energy: 0.5942976176475621
Energy: 0.6182675165232551
Energy: 0.9087453500056939
Energy: 0.595142946495119
Energy: 0.5764319090940445
Energy: 0.6284683324058186
Energy: 0.5628740119892252
Energy: 0.5627039194667764
Energy: 0.5837486701901569
Energy: 0.5659668969784164
Energy: 0.5619572140871305
Energy: 0.5878952820736775
Energy: 0.6000084328605485
Energy: 0.5677689104312508
Energy: 0.5418241186660526
Energy: 0.6004910759924451
Energy: 0.5448940421660271
Energy: 0.6288737030128541
Energy: 0.5661748011440926
Energy: 0.5642546187932657
Energy: 0.5807133609218409
Energy: 0.5681225428850083
Energy: 0.5626935810068403
Energy: 0.6286927673726042
Energy: 0.5671710477313807
Energy: 0.5668332806052289
Energy: 0.5672936622167
Energy: 0.583122048277656
Energy: 0.5612720302585764
Energy: 0.8303972016519077
Energy: 0.5669671739268107
Energy: 0.5730200100562921
Energy: 0.5681854031207159
Energy: 0.5841975633243002
Energy: 0.571206662810142
Energy: 0.6256062422348309
Energy: 0.5573271913863352
Energy: 0.5738471928079723
Energy: 0.5794994108204329
Energy: 0.565997880152899
Energy: 0.5714678388622071
Energy: 0.5677484805146223
Energy: 0.5416234148035628
Energy: 0.541658495883882
Energy: 0.582712201096053
Energy: 0.5419723801310784
Energy: 0.5423087853763611
Energy: 0.5675473094567266
Energy: 0.5688962841918278
Energy: 0.566388076630093
Energy: 0.5646258220100601
Energy: 0.5782653189554273
Energy: 0.5668564839712875
Energy: 0.5681170882199492
Energy: 0.5624970339064346
Energy: 0.5609442955417968
Energy: 0.5682487498559011
Energy: 0.5676426701879844
Energy: 0.5625190492756427
Energy: 0.5658909842023195
Energy: 0.5669940617779348
Energy: 0.5612697829099568
Energy: 0.5699686447123337
Energy: 0.5665473351644016
Energy: 0.5666618857203256
Energy: 1.0721247504806717
Energy: 0.566172162474549
Energy: 0.557991148542314
Energy: 0.5509522675564823
Energy: 0.5810495749564846
Energy: 0.5582702384723285

minimum gb energy = 0.539535299926595 eV
minimum distance =  2.38517802224525 Angstroms
sigma value = 33


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

Energy: 0.7579227671797388
Energy: 0.6080169887264614
Energy: 0.6077802316817664
Energy: 0.6038364777193121
Energy: 0.6587307254400332
Energy: 0.6077621302193311
Energy: 0.6472519511178415
Energy: 0.598681783441674
Energy: 0.5975981333418302
Energy: 0.6132008000866727
Energy: 0.61463500871474
Energy: 0.599024883348837
Energy: 0.6170768517425125
Energy: 0.5993497490128472
Energy: 0.6000257018831489
Energy: 0.599789808997009
Energy: 0.599533231970329
Energy: 0.6004531729369552
Energy: 0.62636247836097
Energy: 0.6006732139630621
Energy: 0.6045830988167643
Energy: 0.6143699840956797
Energy: 0.6001558198107521
Energy: 0.6033316263266612
Energy: 0.6156736635705209
Energy: 0.6019587196872191
Energy: 0.5835678691978881
Energy: 0.6162858012991137
Energy: 0.6179700417304239
Energy: 0.6132198232577675
Energy: 0.6498215342996545
Energy: 0.6042649624887034
Energy: 0.6038714591955078
Energy: 0.6575411154160297
Energy: 0.6027632716786732
Energy: 0.6053505856520398
Energy: 0.6502061849140434
Energy: 0.6005815114663757
Energy: 0.6171070446940999
Energy: 0.6183906286174934
Energy: 0.6349325372690467
Energy: 0.601651073594134
Energy: 0.6469333516324604
Energy: 0.6253484457032401
Energy: 0.6029557188357837
Energy: 0.5835521505169972
Energy: 0.6524263928943455
Energy: 0.6038774540985633
Energy: 0.649297187999325
Energy: 0.5830029542664735
Energy: 0.5829128269775206
Energy: 0.5837474084541481
Energy: 0.5843229921690655
Energy: 0.5866992770759225
Energy: 0.7020772080894535
Energy: 0.5983651858578931
Energy: 0.5983606368740227
Energy: 0.5991111720399193
Energy: 0.6001958893829927
Energy: 0.6044291557337877
Energy: 0.6493099488576254
Energy: 0.600344712648064
Energy: 0.601551117149092
Energy: 0.6142330837439791
Energy: 0.5851148442145337
Energy: 0.601763763034844
Energy: 0.6522140426993125
Energy: 0.5816347228192262
Energy: 0.5817998633031191
Energy: 0.635155176203074
Energy: 0.5903426937534573
Energy: 0.5819306496008285
Energy: 0.6574966326126628
Energy: 0.581967584266373
Energy: 0.5821758864828009
Energy: 0.5857492265341843
Energy: 0.58239744881482
Energy: 0.5816516016084916
Energy: 0.6202005836297865
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Energy: 0.6008865515016589
Energy: 0.6199340542957245
Energy: 0.6173139743130646
Energy: 0.6012810756894098
Energy: 0.5814002444083107
Energy: 0.5991863027899158
Energy: 0.5986333190734403
Energy: 0.5993864305513962
Energy: 0.5990499763910597
Energy: 0.5994622549036893
Energy: 0.6163641976085826
Energy: 0.6126830644982084
Energy: 0.5988699791527458
Energy: 0.6186356344378658
Energy: 0.6167614532121414
Energy: 0.6001453236715004
Energy: 0.9815312217891152
Energy: 0.5850302603132986
Energy: 0.6039572768169994
Energy: 0.6017546069504041
Energy: 0.648981963382246
Energy: 0.6086712392943467
Energy: 0.6516368866220671
Energy: 0.5850197007357071
Energy: 0.5831574356232603
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Energy: 0.583384902786966
Energy: 0.6243458816044719
Energy: 0.5826840694975076
Energy: 0.5830598100110712
Energy: 0.5997923777125341
Energy: 0.5848257742642279
Energy: 0.6045036242262767
Energy: 0.5870055623234264
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Energy: 0.6019953763763707
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Energy: 0.5852800854656253
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Energy: 0.6158614831239315
Energy: 0.6178421177061135
Energy: 0.5997892290166048
Energy: 0.6038111708505406
Energy: 0.6326811515709756
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Energy: 0.5976910981407769
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Energy: 0.5822783303548174
Energy: 0.6441723707488789
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Energy: 0.6474480832926853
Energy: 0.6171337948205212
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Energy: 0.5997420921995076
Energy: 0.6248801871181919
Energy: 0.5989201989335351
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Energy: 0.6183035416925795
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Energy: 0.9800207515728909
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Energy: 0.5834375551942642
Energy: 0.6240010648342587
Energy: 0.5856926725373923
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Energy: 0.5815015232381456
Energy: 0.5997712363515415
Energy: 0.5856094425300603
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Energy: 0.5837024556093848
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Energy: 0.5835604782884858
Energy: 0.5857135049464419
Energy: 0.5833111566360157
Energy: 0.6537818352416134
Energy: 0.6064840746827664
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Energy: 0.6533024819520695
Energy: 0.6063644994861155
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Energy: 0.6165561333202588
Energy: 0.6167187175234742
Energy: 0.6017919733099639
Energy: 0.6230456853366001
Energy: 0.6121480011091658
Energy: 0.6019102393059428
Energy: 0.7049599662173092
Energy: 0.5846363495506535
Energy: 0.58270871927818
Energy: 0.5822478780022771
Energy: 0.6057768475310347
Energy: 0.5817600538084623

minimum gb energy = 0.5812009241143177 eV
minimum distance =  2.39100694940279 Angstroms
sigma value = 67


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

Energy: 0.8899027368310635
Energy: 0.649957154217672
Energy: 0.6496339826651353
Energy: 0.662352417731261
Energy: 0.6700910221262294
Energy: 0.6483919946203601
Energy: 0.7030703926739739
Energy: 0.632784711001166
Energy: 0.6322912190729996
Energy: 0.6325370700880767
Energy: 0.6339075060598118
Energy: 0.6319435536214953
Energy: 0.6601126992655376
Energy: 0.613627050008821
Energy: 0.6331253986178348
Energy: 0.6331694144930258
Energy: 0.6108345302787448
Energy: 0.6330103688955233
Energy: 0.660226199240321
Energy: 0.6325144661728691
Energy: 0.6328115767270748
Energy: 0.6311423997664868
Energy: 0.6331262847956427
Energy: 0.6331251078138774
Energy: 0.6629111902276092
Energy: 0.6335748389150827
Energy: 0.6345738731539772
Energy: 0.663436468607221
Energy: 0.633561592328861
Energy: 0.6349046250849127
Energy: 0.6645783222267049
Energy: 0.6384900493095588
Energy: 0.6368688247786384
Energy: 0.6649802826184705
Energy: 0.638009800717272
Energy: 0.6368237711699521
Energy: 0.7030828594120767
Energy: 0.6334031990656193
Energy: 0.6324568480011442
Energy: 0.6093878134310075
Energy: 0.6341118278686779
Energy: 0.6321580026586473

minimum gb energy = 0.6093878134310075 eV
minimum distance =  2.42540360529601 Angstroms
sigma value = 3


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

Energy: 1.0208881066261093
Energy: 0.7790196098546375
Energy: 0.7194919470234712
Energy: 0.7050039004171462
Energy: 1.2099326353374487
Energy: 0.7191872286715048
Energy: 0.7287987848502717
Energy: 0.7388246679929096
Energy: 0.7116181992102479
Energy: 0.7360663346472371
Energy: 0.7415392305797569
Energy: 0.7088098317052115
Energy: 0.7157548473447815
Energy: 0.7223006595417449
Energy: 0.7204041314872972
Energy: 0.7161508265492991
Energy: 0.720636212685057
Energy: 0.7148985323169772
Energy: 0.7127730232381536
Energy: 0.7100880757191947
Energy: 0.710242425603439
Energy: 0.7137273779140171
Energy: 0.7143089535913058
Energy: 0.7111888474197842
Energy: 0.7236035231200145
Energy: 0.703846289214838
Energy: 0.7026133366242708
Energy: 0.7247445335583863
Energy: 0.7043082245213387
Energy: 0.7030261131314074
Energy: 0.7109079458995871
Energy: 0.7054211601802118
Energy: 0.704366602717233
Energy: 0.7118901321947684
Energy: 0.7032817975921898
Energy: 0.7034202603492673
Energy: 0.7097991307143096
Energy: 0.7173241306018504
Energy: 0.7106445843472357
Energy: 0.7058889310044691
Energy: 0.728335325131057
Energy: 0.7181425880064222
Energy: 0.919062221904302
Energy: 0.7425326563781666
Energy: 0.7097385046403679
Energy: 0.7145290695002047
Energy: 0.7175330915098114
Energy: 0.7086202614641218
Energy: 0.715480302832556
Energy: 0.7023052637268303
Energy: 0.7201373978797493
Energy: 0.7096924859906104
Energy: 0.7010051922584312
Energy: 0.7321849469339783
Energy: 0.7101562451749871
Energy: 0.6995738704608861
Energy: 0.6983725005490038
Energy: 0.7489761565666138
Energy: 0.7005693938094483
Energy: 0.72532595662372
Energy: 0.7556756651093154
Energy: 0.7075841894222684
Energy: 0.7138791612502645
Energy: 0.7324184052199496
Energy: 0.6975095467980819
Energy: 0.7159560734048284
Energy: 0.7460427064131331
Energy: 0.7029139325014951
Energy: 0.703155881283157
Energy: 0.7105294078538269
Energy: 0.7032090785120819
Energy: 0.7036105543031699
Energy: 0.7144483092182298
Energy: 0.7043734805275566
Energy: 0.7045543281680191
Energy: 0.7069009399143859
Energy: 0.7109990173682483
Energy: 0.7030475323821592
Energy: 0.7140522216651686
Energy: 0.7138793859487165
Energy: 0.7147736473433296
Energy: 0.7119850516769343
Energy: 0.7122712505828946
Energy: 0.7094926410009972
Energy: 0.7478602232623912
Energy: 0.7147875881977055
Energy: 0.7712462269682935
Energy: 0.704262914577963
Energy: 0.7140768544488293
Energy: 0.7155175652784195
Energy: 0.7432490881529488
Energy: 0.7343149099611392
Energy: 0.7313025724685707
Energy: 0.7410598126592839
Energy: 0.7373628632363416
Energy: 0.7334221817899468
Energy: 0.8208657679338485
Energy: 0.7118200338740663
Energy: 0.7146449445800319
Energy: 0.8217101073770837
Energy: 0.713689958030316
Energy: 0.7223333631198838
Energy: 0.7484416741816603
Energy: 0.7344258487703479
Energy: 0.7411948116222492
Energy: 0.7142349668134839
Energy: 0.709294262274759
Energy: 0.7219914380364293
Energy: 0.8394325909326142
Energy: 0.7138335430222856
Energy: 0.7138194737410597
Energy: 0.7550160517533456
Energy: 0.7416036943376717
Energy: 0.6964975968239254
Energy: 0.7761578963191633
Energy: 0.7051001755845356
Energy: 0.7135174519131188
Energy: 0.7319153650461284
Energy: 0.7054310667724714
Energy: 0.6955757446771332
Energy: 0.7045202646041494
Energy: 0.7100266214557289
Energy: 0.72309908647968
Energy: 0.7033918663746298
Energy: 0.7201437679219349
Energy: 0.7223064971999676
Energy: 0.7053532641401719
Energy: 0.7074598502312336
Energy: 0.7077307856747433
Energy: 0.7096561608170147
Energy: 0.7081035580691135
Energy: 0.7075501610153668
Energy: 0.7118963838460668
Energy: 0.7101803973304401
Energy: 0.7153065526626309
Energy: 0.7127971138889525
Energy: 0.7144078951425569
Energy: 0.7117017557871931
Energy: 0.7054395952809638
Energy: 0.7160685731630383
Energy: 0.7160845936916733
Energy: 0.7056965384848497
Energy: 0.7152318168455738
Energy: 0.706764060039691
Energy: 0.7101358822280491
Energy: 0.7089086756546039
Energy: 0.7411368417198426
Energy: 0.7361367565204531
Energy: 0.713137513115329
Energy: 0.7406506151961071
Energy: 0.8501924032383829
Energy: 0.720296204040807
Energy: 0.7078660840241977
Energy: 0.7188637410458362
Energy: 0.7448784237537469
Energy: 0.7262811522497623
Energy: 0.6956176678233964
Energy: 0.7418469077873895
Energy: 0.747710783074538
Energy: 0.7258292182321123
Energy: 0.7440376965497537
Energy: 0.7261584656562633
Energy: 0.7111421453050754
Energy: 0.7391806747417284
Energy: 0.7397472027606208
Energy: 0.7558066084070524
Energy: 0.7358369026668669
Energy: 0.7394459030013486
Energy: 0.7142910958378708
Energy: 0.7294472590749705
Energy: 0.7302623532137427
Energy: 0.7144048200343016
Energy: 0.7267593635017917
Energy: 0.7155525788089274
Energy: 0.7129308104356371
Energy: 0.7138406089393928
Energy: 0.7221279890949455
Energy: 0.7136195871266197
Energy: 0.7132770722609748
Energy: 0.7101729205581372
Energy: 0.7106900422448084
Energy: 0.7119572580642857
Energy: 0.7110517267814027
Energy: 0.7116943174085443
Energy: 0.7111942803112428
Energy: 0.7115614630575513
Energy: 0.7201603597468718
Energy: 0.7119200907978308
Energy: 0.7022609098743919
Energy: 0.7182087148278743
Energy: 0.7208406416501429
Energy: 0.7032977339765278
Energy: 0.8177390400846986
Energy: 0.7261770150933257
Energy: 0.7376767242715573
Energy: 0.7131437198737073
Energy: 0.7506967850788212
Energy: 0.7141340804275492
Energy: 0.8053188440378137
Energy: 0.7031890677892982
Energy: 0.7018331115600371
Energy: 0.7432085634851242
Energy: 0.7027044032103674
Energy: 0.7027845825599476
Energy: 0.7100636651485973
Energy: 0.7230141134440219
Energy: 0.7188179171904482
Energy: 0.7002058401282055
Energy: 0.727846657230719
Energy: 0.7027174286259978
Energy: 0.7485941398740018
Energy: 0.6998324631672335
Energy: 0.6994375898348627
Energy: 0.7491904425920514
Energy: 0.7008463001769847
Energy: 0.7254588930977924
Energy: 0.7473304450229867
Energy: 0.7028828075902851
Energy: 0.7200862811297796
Energy: 0.7328581016062239
Energy: 0.7010861706399187
Energy: 0.7101197985488815
Energy: 0.7164742021636643
Energy: 0.712817391879402
Energy: 0.7119769680059601
Energy: 0.6939124469323859
Energy: 0.7148286011628172
Energy: 0.7115156842975274
Energy: 0.7021367422553452
Energy: 0.7181759728224438
Energy: 0.7105326859924113
Energy: 0.7125716628528177
Energy: 0.7147965140800439
Energy: 0.7039102774429963
Energy: 0.747261371065498
Energy: 0.7142000513070678
Energy: 0.7145260693644485
Energy: 0.7048261764725219
Energy: 0.7134411231311317
Energy: 0.7169425167470247
Energy: 0.8095686100129512
Energy: 0.7085281037932636
Energy: 0.7088641250199681
Energy: 0.7312938100919968
Energy: 0.7474699887301189
Energy: 0.7389940309310282
Energy: 0.8320790205629628
Energy: 0.7134609832453991
Energy: 0.7155206476034147
Energy: 0.7226109232565561
Energy: 0.7096020303223896
Energy: 0.7093979437022835
Energy: 0.7984223123573974
Energy: 0.7113534725309711
Energy: 0.7080630980707081
Energy: 0.80598282234933
Energy: 0.713897653329551
Energy: 0.739137452157612
Energy: 0.7120437796293728
Energy: 0.7356249255977473
Energy: 0.7360706896073964
Energy: 0.7112070189738606
Energy: 0.7395972996232749
Energy: 0.7410413066357153
Energy: 1.0114580588377853
Energy: 0.707265444667779
Energy: 0.7511031639138384
Energy: 0.7496610603438049
Energy: 0.7064569296639348
Energy: 0.7516371026660613
Energy: 0.7140029375029934
Energy: 0.7112358884659892
Energy: 0.7093789161289067
Energy: 0.7112488594174033
Energy: 0.7098761255902873
Energy: 0.7115217894035588
Energy: 0.706794992754974
Energy: 0.709427881353458
Energy: 0.7073992200545823
Energy: 0.7086870596112645
Energy: 0.7099825980177101
Energy: 0.7082206844610283
Energy: 0.7047730807084294
Energy: 0.7115811068364423
Energy: 0.7103161546894752
Energy: 0.7073993987023185
Energy: 0.7095123275619529
Energy: 0.7257154411121571
Energy: 0.7046260993800164
Energy: 0.7123324434853108
Energy: 0.7055924021313743
Energy: 0.705210603467717
Energy: 0.7113276278291405
Energy: 0.7067093920020057
Energy: 0.7147365708381996
Energy: 0.7449873771496737
Energy: 0.716250124561592
Energy: 0.7152955890901544
Energy: 0.7113552962795632
Energy: 0.7129761666490838
Energy: 0.7282119991028484
Energy: 0.704710359629999
Energy: 0.7223872086842965
Energy: 0.7173456690322646
Energy: 0.7087181321496003
Energy: 0.7159635406257822

minimum gb energy = 0.6939124469323859 eV
minimum distance =  2.36121873650077 Angstroms
sigma value = 81


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

Energy: 1.422832034804232
Energy: 0.7939929016034786
Energy: 0.6867582879326982
Energy: 0.6872540680377636
Energy: 0.7192435295837267
Energy: 0.7959263428813002
Energy: 0.7509289974412903
Energy: 0.6678155830738834
Energy: 0.6656324889896905
Energy: 0.696811218909819
Energy: 0.6690479958457541
Energy: 0.7022727258472945
Energy: 0.7074543358956252
Energy: 0.7602977138366712
Energy: 0.761644443275426
Energy: 0.7184955711627654
Energy: 0.7660859385359556
Energy: 0.7197549734928054
Energy: 0.7113278405409351
Energy: 0.7622712535621948
Energy: 0.7327904342051482
Energy: 0.7092702901153076
Energy: 0.7662504190669386
Energy: 0.7283607752819314
Energy: 0.7077293293517315
Energy: 0.6676383551439685
Energy: 0.8501313730357584
Energy: 0.8510254151942126
Energy: 0.7205001554114354
Energy: 0.6545324908926139
Energy: 0.717063411787249
Energy: 0.7948233612795085
Energy: 0.7934769677825674
Energy: 0.8541208362755777
Energy: 0.8474870786121634
Energy: 0.8470237937331724
Energy: 0.7544853955359762
Energy: 0.7725504251815185
Energy: 0.7698183897261044
Energy: 0.8046670964487582
Energy: 0.7106546277739534
Energy: 0.7807685830451673
Energy: 0.8888253048335728
Energy: 0.9050784689450355
Energy: 0.9118389353142552
Energy: 0.7466952097872568
Energy: 0.8778122960791245
Energy: 0.7688014294005103
Energy: 0.7850416252781869
Energy: 0.7652046793876917
Energy: 0.7686650505620164
Energy: 0.8037033060258459
Energy: 0.7582468243937726
Energy: 0.7612623954389129
Energy: 0.7867408869295899
Energy: 0.7561401008822534
Energy: 0.7587623370534512
Energy: 0.7784163591107441
Energy: 0.703883276211643
Energy: 0.7059163633911898
Energy: 0.7790428445641949
Energy: 0.7486397537775512
Energy: 0.7455487653569831
Energy: 0.7635338085890268
Energy: 0.7040866111722701
Energy: 0.759988315903177
Energy: 0.7895379084322097
Energy: 0.7616161058844669
Energy: 0.7634711644642089
Energy: 0.7663180861656046
Energy: 0.7631213686947549
Energy: 0.7580405111056695
Energy: 0.7891524554893355
Energy: 0.7602169281029206
Energy: 0.7641322065720715
Energy: 0.7536906409688913
Energy: 0.7860084127419832
Energy: 0.7594273852318464
Energy: 0.7575454859799731
Energy: 0.747232371474539
Energy: 0.7467138685816384
Energy: 0.7861669845988555
Energy: 0.7467215743317015
Energy: 0.745943609105974
Energy: 0.8805991845092453
Energy: 0.8618003658814192
Energy: 0.849018341631547
Energy: 0.8576114543945982
Energy: 0.8608357167036443
Energy: 0.8485312919807484
Energy: 0.7931355623403626
Energy: 0.8528265177052285
Energy: 0.8573165770806249
Energy: 0.7939958912091963
Energy: 0.8223007590630561
Energy: 0.8575765505332671
Energy: 0.8862684987477017
Energy: 0.7539638050413984
Energy: 0.7557280870518327
Energy: 0.8865210782357108
Energy: 0.7463713015673371
Energy: 0.76340237893331
Energy: 0.8293564847684091
Energy: 0.8558562245184984
Energy: 0.857197618958213
Energy: 0.8423238719599969
Energy: 0.9097034687111841
Energy: 0.8499928861079233
Energy: 0.8507135896468273
Energy: 0.8588173631628758
Energy: 0.758603131451954
Energy: 0.7479794673071695
Energy: 0.8683849089140893
Energy: 0.7543249761218158
Energy: 0.8504547118628637
Energy: 0.8573121828346413
Energy: 0.7581112771301662
Energy: 0.7482591705961895
Energy: 0.8830303210618212
Energy: 0.7603295979691909
Energy: 0.829704582183702
Energy: 0.759278369026167
Energy: 0.8425148486966607
Energy: 0.8430567373806553
Energy: 0.778422303329711
Energy: 0.8432236957132417
Energy: 0.7911153498755565
Energy: 0.7605885822898627
Energy: 0.7608260682208453
Energy: 0.8459907937966342
Energy: 0.7602138018078983
Energy: 0.7606450459259815
Energy: 0.7886796429174597
Energy: 0.8628919019170675
Energy: 0.7955491894664806
Energy: 0.7889150819884397
Energy: 0.8332262745182841
Energy: 0.8551290253276721
Energy: 0.7953457287133825
Energy: 0.8477589660090156
Energy: 0.8468011193334536
Energy: 0.8587160213123445
Energy: 0.849847043681707
Energy: 0.8483817462611877
Energy: 0.7538630116503935
Energy: 0.7654002314180836
Energy: 0.7667365987632354
Energy: 0.7856139635771399
Energy: 0.7579334539132482
Energy: 0.7677333698158417
Energy: 0.887811443303726
Energy: 0.8084550450895344
Energy: 0.8086987936210841
Energy: 0.7527393049222867
Energy: 0.8115218668753786
Energy: 0.803647600410075
Energy: 0.8885793274056834
Energy: 0.8011853556503041
Energy: 0.7645630187220841
Energy: 0.7536857728601195
Energy: 0.89459715243997
Energy: 0.8058851666545507
Energy: 0.7765804772856795
Energy: 0.7105402167547241
Energy: 0.7680762215616854
Energy: 0.7649153839682744
Energy: 0.7424956473875645
Energy: 0.7592341703978567
Energy: 0.7816128498312125
Energy: 0.703800339833511
Energy: 0.7073979579658034
Energy: 0.7862543042228787
Energy: 0.7494434978905145
Energy: 0.7579542038729339
Energy: 0.7838247020887394
Energy: 0.7642902844389607
Energy: 0.7659227825695178
Energy: 0.7676556803911175
Energy: 0.756380949775553
Energy: 0.7738209878127741
Energy: 0.7885500337701175
Energy: 0.797549731010886
Energy: 0.7692601186739529
Energy: 0.7593134876782296
Energy: 0.8819934329229664
Energy: 0.7593552954006898
Energy: 0.7561918061869614
Energy: 0.7548875056470127
Energy: 0.776684447428471
Energy: 0.7585553691799818
Energy: 0.7013425023459313
Energy: 0.7750626990913978
Energy: 0.8131548738251007
Energy: 0.8428745090080817
Energy: 0.8417568333410462
Energy: 0.8515681156351244
Energy: 0.7804238054800872
Energy: 0.7705802601206855
Energy: 0.7118791646728645
Energy: 0.6680620248615341
Energy: 0.8492466911835526
Energy: 0.726298897394778
Energy: 0.7731288883582502
Energy: 0.7279582812276223
Energy: 0.7112468097556663
Energy: 0.6578187323451421
Energy: 0.6885942580583759
Energy: 0.7126913482652654
Energy: 0.7529729598089744
Energy: 0.7356089526393311
Energy: 0.7894251259065909
Energy: 0.7534520023008217
Energy: 0.7533678096934442
Energy: 0.8333785320852622
Energy: 0.7524541786474294
Energy: 0.9426092132210139
Energy: 0.7089649193595886
Energy: 0.6688447945493093
Energy: 0.669637238671457
Energy: 0.6965247416396969
Energy: 0.664139617169961
Energy: 0.667209050581985
Energy: 0.862813601684165
Energy: 0.7156423606585796
Energy: 0.6952060576885478
Energy: 0.6752576114860336
Energy: 0.7398066044577545
Energy: 0.7755484237256322

minimum gb energy = 0.6545324908926139 eV
minimum distance =  2.34882365636411 Angstroms
sigma value = 43


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

Energy: 1.2624149736899402
Energy: 0.8104878404681738
Energy: 0.7501648633208842
Energy: 0.698184480507428
Energy: 0.7989950866652699
Energy: 0.6980665703671675
Energy: 0.6703681850754966
Energy: 0.7005986010547408
Energy: 0.6891407974433446
Energy: 0.7249105396140745
Energy: 0.681972994007562
Energy: 0.6878391147627114
Energy: 0.6824974909738503
Energy: 0.6705973004960173
Energy: 0.6701774833264015
Energy: 0.7183445834457243
Energy: 0.6706183527165747
Energy: 0.6839614454821998
Energy: 0.6839824209515442
Energy: 0.6697563224531008
Energy: 0.6887521839044574
Energy: 0.6840001526837528
Energy: 0.6751710570383137
Energy: 0.6842087839423544
Energy: 0.6826210009678559
Energy: 0.6953369998724275
Energy: 0.6916113639663638
Energy: 0.682552473860396
Energy: 0.6889320025281293
Energy: 0.6907372575922538
Energy: 0.6829300664698756
Energy: 0.6886846621101993
Energy: 0.6888862885478773
Energy: 0.6888716479821397
Energy: 0.6895489834789339
Energy: 0.6891395757411594
Energy: 0.683694883622314
Energy: 0.6838975967404762
Energy: 0.6905485853171649
Energy: 0.6882733803426417
Energy: 0.6838250820193204
Energy: 0.6904219944549426
Energy: 0.7734762742999299
Energy: 0.6822977583132582
Energy: 0.682384117123801
Energy: 0.7014319647668111
Energy: 0.6830024275645112
Energy: 0.682992006326229
Energy: 0.6789998752033082
Energy: 0.6828011784705614
Energy: 0.6822854768823565
Energy: 0.6789053707322869
Energy: 0.7257131885048017
Energy: 0.6903518406995629
Energy: 0.8202566851470375
Energy: 0.6873190604282582
Energy: 0.6868188972780199
Energy: 0.7635773638445318
Energy: 0.6880787121647425
Energy: 0.6898678634938417
Energy: 0.693836579480147
Energy: 0.6954725182052119
Energy: 0.711220775690496
Energy: 0.6780202213085913
Energy: 0.682225836675442
Energy: 0.6866837779694215
Energy: 0.6876151540818122
Energy: 0.684707757797927
Energy: 0.6848405147973602
Energy: 0.6938114814353774
Energy: 0.6847688704813558
Energy: 0.6849364784928248
Energy: 0.8034212558193534
Energy: 0.6852095899045393
Energy: 0.6945599482035067
Energy: 0.6733625462738048
Energy: 0.6842630958597745
Energy: 0.6947205451297246
Energy: 0.692740466265455
Energy: 0.6904477245704469
Energy: 0.6901378880055086
Energy: 0.6811162359573611
Energy: 0.6838550747237746
Energy: 0.6900246229944403
Energy: 0.6950711502457537
Energy: 0.6958878030507396
Energy: 0.7113421804462117
Energy: 0.7030742364583853
Energy: 0.6869990948900492
Energy: 0.7117240782986941
Energy: 0.6919120609007668
Energy: 0.6904414652193056
Energy: 0.7084430659832822
Energy: 0.691758126561681
Energy: 0.6937893625799288
Energy: 0.6911489374676396
Energy: 0.6898315535852078
Energy: 0.7043541007460123
Energy: 0.704468087884909
Energy: 0.6899042693631294
Energy: 0.7108147979403363
Energy: 0.7063090148868716
Energy: 0.689594485741883
Energy: 0.6960812644171233
Energy: 0.7058621547146356
Energy: 0.7081015918854933
Energy: 0.6965420384881671
Energy: 0.708046672959088
Energy: 0.6931551356719398
Energy: 0.6919496864730823
Energy: 0.7011034128759783
Energy: 0.6933201996140164
Energy: 0.6919565764352296
Energy: 0.6857453849778233
Energy: 0.7891593528726217
Energy: 0.7010484148552748
Energy: 0.7014755554499881
Energy: 0.6946378863665162
Energy: 0.7015321999290709
Energy: 0.6849207949272181
Energy: 0.6895876569972257
Energy: 0.6963404040591071
Energy: 0.6962273606513164
Energy: 0.7038469400967572
Energy: 0.6904052145803858
Energy: 0.6961908067160284
Energy: 0.7733645474703768
Energy: 0.6994117065499432
Energy: 0.6973970706948671
Energy: 0.7738131770251678
Energy: 0.6783934773115511
Energy: 0.7773066912633807
Energy: 0.6964256774861861
Energy: 0.6968270632833944
Energy: 0.6961485645989136
Energy: 0.7044979825607298
Energy: 0.7069326429318146
Energy: 0.7077517571327782
Energy: 0.7471889668428804
Energy: 0.7010879711685023
Energy: 0.7015257867860639
Energy: 0.7308470008846172
Energy: 0.6918128435798685
Energy: 0.7051063853687428
Energy: 0.697914794269565
Energy: 0.6915122812187783
Energy: 0.7013051597725067
Energy: 0.696745714005933
Energy: 0.6909852062575753
Energy: 0.7011593087419147
Energy: 0.7203521827682285
Energy: 0.7018027376593158
Energy: 0.7046487456343631
Energy: 0.710174301572525
Energy: 0.6922557808684642
Energy: 0.7097870796947005
Energy: 0.7205700197652993
Energy: 0.704738251932105
Energy: 0.7051293634845706
Energy: 0.6917210730089834
Energy: 0.7021046744270356
Energy: 0.710037263159489
Energy: 0.7292238667332295
Energy: 0.6912518615168405
Energy: 0.6908434098729861
Energy: 0.6835383314951567
Energy: 0.6951663428645665
Energy: 0.6894498571529483
Energy: 0.6839731610258067
Energy: 0.6851989047746028
Energy: 0.6848536421908018
Energy: 0.6838332353272528
Energy: 0.7015553312102896
Energy: 0.6846899163419968
Energy: 0.6833655638573036
Energy: 0.6911747323688888
Energy: 0.6906637513049854
Energy: 0.7241098788000613
Energy: 0.6823022262069648
Energy: 0.6881335000126465
Energy: 0.6848793644828283
Energy: 0.7310072878849586
Energy: 0.705875319447083
Energy: 0.6985285919827132
Energy: 0.737662839942786
Energy: 0.7066124461241613

minimum gb energy = 0.6697563224531008 eV
minimum distance =  2.36815727214542 Angstroms
sigma value = 57


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

Energy: 0.966600790883018
Energy: 0.7026481784334917
Energy: 0.7027967774044034
Energy: 0.6685930858143131
Energy: 0.790564471068711
Energy: 0.7025759204523332
Energy: 0.6616024477199113
Energy: 0.7044934339641641
Energy: 0.676836127721195
Energy: 0.7076700580689612
Energy: 0.7069666426787924
Energy: 0.6836411990049087
Energy: 0.6765989660545086
Energy: 0.6525025342517708
Energy: 0.651430681534003
Energy: 0.6929572724914651
Energy: 0.6535199588712709
Energy: 0.6496599197045165
Energy: 0.6954207876231467
Energy: 0.6779370163976958
Energy: 0.651286114378172
Energy: 0.6960282017311323
Energy: 0.6507566095323661
Energy: 0.6822762593518363
Energy: 0.6950764877831944
Energy: 0.6739078295847638
Energy: 0.6719915772397838
Energy: 0.6775055798293009
Energy: 0.6809499581840331
Energy: 0.6761357645683954
Energy: 0.6522656342196528
Energy: 0.6711220767217116
Energy: 0.6762111719555441
Energy: 0.675081700428467
Energy: 0.6803447272197686
Energy: 0.6768958021319332
Energy: 0.7063690497548323
Energy: 0.6970114657838716
Energy: 0.6829728907962157
Energy: 0.6901138808139945
Energy: 0.696760708415773
Energy: 0.6817847796379161
Energy: 0.7025937180800018
Energy: 0.6828896231630354
Energy: 0.6744428246859762
Energy: 0.6825867195893934
Energy: 0.6828923573166289
Energy: 0.6953519061377474
Energy: 0.7035866663915992
Energy: 0.693799000785887
Energy: 0.6919095202477336
Energy: 0.7063059986684587
Energy: 0.7023046082218466
Energy: 0.68494686080738
Energy: 0.8360681255356903
Energy: 0.690554460083348
Energy: 0.6942956548798835
Energy: 0.7046438678546724
Energy: 0.6781668377534371
Energy: 0.6944019340345001
Energy: 0.6809517075228141
Energy: 0.6764435082444692
Energy: 0.6816671408906717
Energy: 0.7083742468576145
Energy: 0.6890483079743096
Energy: 0.7074331897338095
Energy: 0.6624752584718628
Energy: 0.6933592544900707
Energy: 0.7050087757295037
Energy: 0.6643824895557692
Energy: 0.702701774588463
Energy: 0.7067941584272699
Energy: 0.6621743838480428
Energy: 0.6937042301740707
Energy: 0.7222871655803889
Energy: 0.6497539815858908
Energy: 0.6942257145696573
Energy: 0.7243628937391277
Energy: 0.6865241116978622
Energy: 0.6849170533895877
Energy: 0.6857737040758857
Energy: 0.7066068729034877
Energy: 0.7075005788859792
Energy: 0.683846485848284
Energy: 0.680048787048207
Energy: 0.6620704435996309
Energy: 0.6628179160791355
Energy: 0.6981156754651601
Energy: 0.6558464329159098
Energy: 0.662500859355138
Energy: 0.695767513705984
Energy: 0.6830525308104899
Energy: 0.6817081080837247
Energy: 0.6962798943357991
Energy: 0.6759450350009317
Energy: 0.6823749164785522
Energy: 0.6989276390489021
Energy: 0.6741610458546344
Energy: 0.6741357378122147
Energy: 0.6782598232543501
Energy: 0.674169297729232
Energy: 0.6773743768620026
Energy: 0.6979814994898265
Energy: 0.6784193584574705
Energy: 0.6720369983996399
Energy: 0.6797582119150358
Energy: 0.6799351248472721
Energy: 0.6816559857258689
Energy: 0.7125089802390219
Energy: 0.6973504758719579
Energy: 0.7039179903560941
Energy: 0.6760966550356485
Energy: 0.6960840897393297
Energy: 0.7073284578250923
Energy: 0.7130545780426661
Energy: 0.6934960923052498
Energy: 0.7045692036728901
Energy: 0.6765706069626266
Energy: 0.6929640698165884
Energy: 0.7071956870262521
Energy: 0.6919712898856898
Energy: 0.717384672774684
Energy: 0.6902477238341684
Energy: 0.7076938503483271
Energy: 0.7047328370109127
Energy: 0.6815559627184778
Energy: 0.8274459890326761
Energy: 0.6894739351501254
Energy: 0.6766910735217428
Energy: 0.6783513449127666
Energy: 0.6889456261719212
Energy: 0.6770449964879026
Energy: 0.6864679883907628
Energy: 0.7056219203753951
Energy: 0.6731059271025203
Energy: 0.7065558875234758
Energy: 0.7073792123367839
Energy: 0.687269490508254
Energy: 0.6622261887487321
Energy: 0.6938088106460224
Energy: 0.722155630793102
Energy: 0.6747461646150086
Energy: 0.6934123275200501
Energy: 0.7242180313026347

minimum gb energy = 0.6496599197045165 eV
minimum distance =  2.35196079050852 Angstroms
sigma value = 17


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

Energy: 0.6277392273343833
Energy: 0.760076797234883
Energy: 0.807813956629435
Energy: 0.6596376156645835
Energy: 0.696205314588004
Energy: 0.6837445985971182
Energy: 0.658006429590697
Energy: 0.7238862260092117
Energy: 0.7182874591393287
Energy: 0.7339870826740564
Energy: 0.7245970173057144
Energy: 0.6734231583002092
Energy: 0.8972823333535771
Energy: 0.632880657209478
Energy: 0.6330363909557566
Energy: 0.7247974254861717
Energy: 0.6327058726045302
Energy: 0.6454782055229695
Energy: 0.7342440086825436
Energy: 0.6326413459604769
Energy: 0.6471352779683093
Energy: 0.7352884238082816
Energy: 0.6464495235036912
Energy: 0.7168652227036891
Energy: 0.648087868318493
Energy: 0.6334538302083623
Energy: 0.6259777288291404
Energy: 0.649130007589945
Energy: 0.6331865076337017
Energy: 0.632123382614399
Energy: 0.6503319386381567
Energy: 0.6324535029014214
Energy: 0.6255711581745859
Energy: 0.6099256472425592
Energy: 0.6433256333802552
Energy: 0.6205223819114034
Energy: 0.6448020152763504
Energy: 0.6399192695212658
Energy: 0.6398775686977864
Energy: 0.6414208550543643
Energy: 0.6432750724087389
Energy: 0.6259513766321733
Energy: 0.6295177626633659
Energy: 0.6174424802949472
Energy: 0.6122182101077397
Energy: 0.6128403079849217
Energy: 0.6129645948896106
Energy: 0.6149380909584842
Energy: 0.6416032365571755
Energy: 0.6135513677185522
Energy: 0.6133237093589078
Energy: 0.6429590531550453
Energy: 0.6158531559192634
Energy: 0.6315263613648898
Energy: 0.6451707628356909
Energy: 0.6245299517957933
Energy: 0.6248333158114343
Energy: 0.6411488485074744
Energy: 0.6244958832147567
Energy: 0.6248762719698694
Energy: 0.6522416780702986
Energy: 0.6317677760743662
Energy: 0.6322736732551958
Energy: 0.6407650172631641
Energy: 0.7304794557690412
Energy: 0.6328027986363347
Energy: 0.6492302477890625
Energy: 0.7303745711569309
Energy: 0.7295419917154984
Energy: 0.6292798138669963
Energy: 0.7301224889241748
Energy: 0.7197981223222604
Energy: 0.7293870012898689
Energy: 0.7105998521347103
Energy: 0.7136801395767094
Energy: 0.6267993524699986
Energy: 0.7128870230163813
Energy: 0.7126426005700711
Energy: 0.7352383379620729
Energy: 0.7248283869743829
Energy: 0.7185711607336492
Energy: 0.7348045797866972
Energy: 0.7307672138552554
Energy: 0.6575642336895314
Energy: 0.6994003590820085
Energy: 0.722227394469428
Energy: 0.7194181696378021
Energy: 0.7135235962160171
Energy: 0.718292255092567
Energy: 0.7312493293288511
Energy: 0.815121519178209
Energy: 0.7309664461346881
Energy: 0.6656314712600638
Energy: 0.7246116777479178
Energy: 0.7347428725553617
Energy: 0.7286533608161961
Energy: 0.721371676875996
Energy: 0.7187490302364279
Energy: 0.8014366697257015
Energy: 0.6424477595688988
Energy: 0.7250684591511612
Energy: 0.8017875972482461

minimum gb energy = 0.6099256472425592 eV
minimum distance =  2.3768699521699 Angstroms
sigma value = 17


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

Energy: 1.1806757362687692
Energy: 0.7703231353050142
Energy: 0.6487380780097122
Energy: 0.6465485594495345
Energy: 0.7227396379007291
Energy: 0.6464824485988683
Energy: 0.6482512895259711
Energy: 0.7047919722422353
Energy: 0.596332846935243
Energy: 0.71358578849749
Energy: 0.7018634865349163
Energy: 0.6493153654368327
Energy: 0.8540988749413726
Energy: 0.5740598696144625
Energy: 0.6040542999142432
Energy: 0.7209232437862229
Energy: 0.5745505162742861
Energy: 0.6077867857877515
Energy: 0.7169146820608947
Energy: 0.6343666248901012
Energy: 0.6289458838153209
Energy: 0.7179798242988512
Energy: 0.5787108577945724
Energy: 0.6485221561704299
Energy: 0.6275080857669885
Energy: 0.6001916296187458
Energy: 0.5966568220334391
Energy: 0.628006105114391
Energy: 0.6145318932251383
Energy: 0.5982206007088283
Energy: 0.6300730601693073
Energy: 0.5934751740758802
Energy: 0.5718148880376274
Energy: 0.576185643354052
Energy: 0.6186065085187354
Energy: 0.5726770071772065
Energy: 0.5795858931692758
Energy: 0.6186308580865194
Energy: 0.6185463404595214
Energy: 0.5663027293952804
Energy: 0.6218552727202998
Energy: 0.5685379827452967
Energy: 0.5806000003936211
Energy: 0.5596402465308574
Energy: 0.5654061464490494
Energy: 0.568683320181916
Energy: 0.5592441750073882
Energy: 0.5651572718178742
Energy: 0.5813023395352963
Energy: 0.5652950095559711
Energy: 0.5810584176784724
Energy: 0.582041089520351
Energy: 0.5748474769824065
Energy: 0.5804022921165849
Energy: 0.5797230762929679
Energy: 0.5630639837479156
Energy: 0.5633698971060943
Energy: 0.5798737408202393
Energy: 0.5626851049030956
Energy: 0.5632548720509786
Energy: 0.5900577570122473
Energy: 0.5809331291007945
Energy: 0.5625665222898825
Energy: 0.5620700771202604
Energy: 0.580017880705359
Energy: 0.562197949972761
Energy: 0.5830209338449022
Energy: 0.5807543589059276
Energy: 0.5804192231506456
Energy: 0.5841027600659119
Energy: 0.5846021935747164
Energy: 0.5816955408597478
Energy: 0.592582901417515
Energy: 0.5651084987646677
Energy: 0.5645531927127436
Energy: 0.565755228526937
Energy: 0.6067429909805815
Energy: 0.5655382662899999
Energy: 0.6196563862585336
Energy: 0.5683755616010527
Energy: 0.5683161547726985
Energy: 0.6212363585897157
Energy: 0.5665896111951376
Energy: 0.6186813061085966
Energy: 0.618621114623511
Energy: 0.5680763813173935
Energy: 0.5739116917294327
Energy: 0.6188390701058426
Energy: 0.566828748001788
Energy: 0.5896986686409418
Energy: 0.7149586811797968
Energy: 0.6165702807674991
Energy: 0.5976028623424067
Energy: 0.6142684947739235
Energy: 0.6248199486317938
Energy: 0.6010019392178236
Energy: 0.5807838100291611
Energy: 0.7142567070182789
Energy: 0.7140516956362765
Energy: 0.578223181945226
Energy: 0.7200208242004149
Energy: 0.5950013086010596
Energy: 0.6412143699902537
Energy: 0.6961688352851977
Energy: 0.7008939922004181
Energy: 0.6304305221026357
Energy: 0.698958210676875
Energy: 0.5942595129922835
Energy: 0.7936499438337404
Energy: 0.7140032213343729
Energy: 0.6495242475764501
Energy: 0.7145280841855822
Energy: 0.6241466284421624
Energy: 0.5966791990113749
Energy: 0.8577696046123668
Energy: 0.6123582233119466
Energy: 0.6119616734244728
Energy: 0.6972581343908584
Energy: 0.5997085146349419
Energy: 0.7016903067429935
Energy: 0.8505019838472841
Energy: 0.6603584962588572
Energy: 0.6828742213233505
Energy: 0.7151735294802829
Energy: 0.6974934041371842
Energy: 0.7007669632804114
Energy: 0.5895897278548843
Energy: 0.7087017199629522
Energy: 0.778254023103933
Energy: 0.6283347078315129
Energy: 0.702015409767098
Energy: 0.6313721773612628
Energy: 0.5918637367752669
Energy: 0.70679692581446
Energy: 0.7017213680921011
Energy: 0.5932876318090098
Energy: 0.6976610808993021
Energy: 0.6624867139330413
Energy: 0.8492336363507054
Energy: 0.6220486310491201
Energy: 0.7008643485398246
Energy: 0.7152722593830635
Energy: 0.5771969700451459
Energy: 0.6621660194870569
Energy: 0.7137404675797474
Energy: 0.5763279269203694
Energy: 0.6043330808577138
Energy: 0.7139157247347232
Energy: 0.5762457161430224
Energy: 0.6104567378400834
Energy: 0.6299832082354516
Energy: 0.5941471980888653
Energy: 0.5986624288488703
Energy: 0.6271105272062998
Energy: 0.6136830717537559
Energy: 0.6169866510901469
Energy: 0.5707292510545802
Energy: 0.6013964435624258
Energy: 0.603878894435683
Energy: 0.5742257759967524
Energy: 0.5954782686654144
Energy: 0.5747485363019422
Energy: 0.576786467410491
Energy: 0.6250102001080483
Energy: 0.6189947645748872
Energy: 0.5769639568739597
Energy: 0.6209956421883028
Energy: 0.6187100408009736
Energy: 0.5799013734038647
Energy: 0.568092586954276
Energy: 0.5687672459083486
Energy: 0.5676897660860674
Energy: 0.618686335215244
Energy: 0.5687665167745566
Energy: 0.5800742546916843
Energy: 0.5587158258399426
Energy: 0.5654352620852684
Energy: 0.5803199614873568
Energy: 0.5592630480319395
Energy: 0.5649994025087156
Energy: 0.5843875196434143
Energy: 0.5644505776716288
Energy: 0.5645997616080777
Energy: 0.585507383312673
Energy: 0.5599508179348891
Energy: 0.5748008395007176
Energy: 0.5808007887492791
Energy: 0.564573699194124
Energy: 0.5644868502027424
Energy: 0.5721537047904428
Energy: 0.5608621060267589
Energy: 0.564434878480805
Energy: 0.5882500394782945
Energy: 0.5853637613521051
Energy: 0.5805161320986073
Energy: 0.5884885636521554
Energy: 0.5815176443771511
Energy: 0.5805231369540549
Energy: 0.6335428709678692
Energy: 0.5713531318994107
Energy: 0.5677899893791967
Energy: 0.5661898832546276
Energy: 0.5652473758782552
Energy: 0.5691226479991691
Energy: 0.6252384764404595
Energy: 0.5680194395067374
Energy: 0.5679338439523424
Energy: 0.6256423654033807
Energy: 0.5682178813244065
Energy: 0.5687764810602777
Energy: 0.6263281027549479
Energy: 0.5667965809380596
Energy: 0.5938242782773265
Energy: 0.6272213775301001
Energy: 0.5670008031456467
Energy: 0.6149989446785393
Energy: 0.7981315005265428
Energy: 0.594391804361484
Energy: 0.5941573864150328
Energy: 0.6166008900579557
Energy: 0.624512915585758
Energy: 0.5895464434316001
Energy: 0.5865874264399531
Energy: 0.7188017126161684
Energy: 0.7143849085098587
Energy: 0.6064072505341063
Energy: 0.7155977298028319
Energy: 0.616744306928542
Energy: 0.6104267152399053
Energy: 0.6856358946064267
Energy: 0.6116980539070008
Energy: 0.5905092849228017
Energy: 0.6788835088357539
Energy: 0.6038116996207736
Energy: 0.6186791661419797
Energy: 0.6977196639440022
Energy: 0.6796037986943118
Energy: 0.6296555029105395
Energy: 0.717136741634785
Energy: 0.6239277891145436
Energy: 0.7995248314042813
Energy: 0.5958418451286481
Energy: 0.6885431593878587
Energy: 0.7012169302872836
Energy: 0.5964921974790145
Energy: 0.6921489900726888
Energy: 0.8555130040804255
Energy: 0.6483736590145502
Energy: 0.5975622422050697
Energy: 0.7153064236187943
Energy: 0.6285014192089737
Energy: 0.681349808593161
Energy: 0.5932264881638144
Energy: 0.7063647801371358
Energy: 0.7012831005643213
Energy: 0.5910070482633978
Energy: 0.7142291176241468
Energy: 0.6620659101685067

minimum gb energy = 0.5587158258399426 eV
minimum distance =  2.37674858127144 Angstroms
sigma value = 57


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

Energy: 0.5396370960091501
Energy: 0.730764402266917
Energy: 0.6178641962537249
Energy: 0.5521393244234284
Energy: 0.8959789659108424
Energy: 0.6182955268861863
Energy: 0.7104254552277907
Energy: 0.5655123042204893
Energy: 0.5669668359563768
Energy: 0.6533850028823954
Energy: 0.5700816596499727
Energy: 0.5651720208470299
Energy: 0.8058654007870257
Energy: 0.5420717183871101
Energy: 0.5426254336272733
Energy: 0.6938112800153382
Energy: 0.5419588419323047
Energy: 0.5817323639678788
Energy: 0.6888807184108714
Energy: 0.5418430296039479
Energy: 0.6110686358337544
Energy: 0.5915247540044088
Energy: 0.5434378525859429
Energy: 0.6138478035369699
Energy: 0.5938652037847302
Energy: 0.56532836580764
Energy: 0.5683201446596812
Energy: 0.593638382141946
Energy: 0.5884537623634526
Energy: 0.5654422018761922
Energy: 0.5461776883491708
Energy: 0.5634540748557133
Energy: 0.5409704422710016
Energy: 0.5243937399572869
Energy: 0.5991413908652342
Energy: 0.5417492563510421
Energy: 0.5532754203419967
Energy: 0.6053335386789951
Energy: 0.5991231623093699
Energy: 0.5314888908713095
Energy: 0.6042717156846312
Energy: 0.5360873106815679
Energy: 0.7238206273388974
Energy: 0.5201313974765864
Energy: 0.5200755213942287
Energy: 0.5345744401325405
Energy: 0.5198472027184495
Energy: 0.5306671190885756
Energy: 0.5562487818503954
Energy: 0.552556737743317
Energy: 0.5542431234192776
Energy: 0.557753372163579
Energy: 0.559690905293863
Energy: 0.5539355346347205
Energy: 0.5670277563361303
Energy: 0.5260061421467832
Energy: 0.5254554638946172
Energy: 0.5532158222429148
Energy: 0.525377803484654
Energy: 0.5262752949884331
Energy: 0.5387024313677453
Energy: 0.5330062548288751
Energy: 0.5298232300718217
Energy: 0.5147954163348532
Energy: 0.545895182693494
Energy: 0.5167702094908138
Energy: 0.5570898137179519
Energy: 0.5401619464730897
Energy: 0.5447662307823754
Energy: 0.5337812286103018
Energy: 0.5374720120115339
Energy: 0.5191839036038234
Energy: 0.5333114587126653
Energy: 0.5689241085050654
Energy: 0.5233869142945817
Energy: 0.521994734945333
Energy: 0.5738454996361836
Energy: 0.5231176784596674
Energy: 0.534142587888551
Energy: 0.5186988246900479
Energy: 0.5341813380136925
Energy: 0.5352984725653555
Energy: 0.5388344184513817
Energy: 0.5445286615266243
Energy: 0.5325954320819354
Energy: 0.5180041808936373
Energy: 0.5173422795426902
Energy: 0.5329410237245416
Energy: 0.5195824201426006
Energy: 0.5172463727372216
Energy: 0.565480907511288
Energy: 0.5649914201646817
Energy: 0.5234293249780134
Energy: 0.524340484003258
Energy: 0.5627843419976148
Energy: 0.522261304961826
Energy: 0.5347489136601881
Energy: 0.563023636313041
Energy: 0.5532212026546454
Energy: 0.5249112710146873
Energy: 0.5598734006095097
Energy: 0.5361462797292553
Energy: 0.5362467239038349
Energy: 0.5393436682249341
Energy: 0.5400627785640828
Energy: 0.5368978881025003
Energy: 0.5393629968695746
Energy: 0.5402241932502626
Energy: 0.5996650113134671
Energy: 0.5372140284788985
Energy: 0.5659127526804065
Energy: 0.6013254254464088
Energy: 0.5394059223817843
Energy: 0.5996553617058327
Energy: 0.6808947686468865
Energy: 0.5439325401342415
Energy: 0.5432280061632351
Energy: 0.5882280710293286
Energy: 0.5340932753666974
Energy: 0.5663903394045959
Energy: 0.751240419488367
Energy: 0.5906664491381067
Energy: 0.589901658637512
Energy: 0.588204999888833
Energy: 0.5898338342089201
Energy: 0.5664065150174812
Energy: 0.5338124499854027
Energy: 0.6990099623243873
Energy: 0.6000034161790195
Energy: 0.532505664627625
Energy: 0.695979461081024
Energy: 0.5629481679388172
Energy: 0.5577672085635655
Energy: 0.6367598348288842
Energy: 0.6308402460400192
Energy: 0.5696230795053715
Energy: 0.6904036268992625
Energy: 0.6281175223213767
Energy: 0.7513859277376032
Energy: 0.5927411249402482
Energy: 0.565864144222038
Energy: 0.5897740681581207
Energy: 0.5991732226647626
Energy: 0.5692616693933193
Energy: 0.8099588551861202
Energy: 0.5655617512019884
Energy: 0.5619673880858594
Energy: 0.6696496712278084
Energy: 0.5656788906113241
Energy: 0.6515896512554137
Energy: 0.8015418598546169
Energy: 0.6321183499270477
Energy: 0.633062117464277
Energy: 0.6906965672431931
Energy: 0.6538290650051988
Energy: 0.5626579238329693
Energy: 0.5383780147334952
Energy: 0.671509467907152
Energy: 0.6096988276037154
Energy: 0.5441893749523093
Energy: 0.6764971463944731
Energy: 0.5823114753032381

minimum gb energy = 0.5147954163348532 eV
minimum distance =  2.38820898235704 Angstroms
sigma value = 43


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

Energy: 0.4630862389360536
Energy: 0.5932799612145352
Energy: 0.5501012741898323
Energy: 0.46782403141088924
Energy: 0.6875161426752914
Energy: 0.5174785393907829
Energy: 0.6590632432936921
Energy: 0.4815380522446894
Energy: 0.4774641651813114
Energy: 0.5589854935251899
Energy: 0.5125829000043365
Energy: 0.47820782679498985
Energy: 0.6900890220037527
Energy: 0.4541453809883619
Energy: 0.471004688092063
Energy: 0.5622623077979537
Energy: 0.4533451731045985
Energy: 0.47156692427252184
Energy: 0.6013048087294973
Energy: 0.470226954238972
Energy: 0.4718694739955702
Energy: 0.514104022016523
Energy: 0.5599239558849262
Energy: 0.5309357196043716
Energy: 0.5324240708001802
Energy: 0.48174363758062677
Energy: 0.47690313506148235
Energy: 0.5051187150319392
Energy: 0.5042782257791163
Energy: 0.4774886891121685
Energy: 0.44915476226457135
Energy: 0.5323885780470831
Energy: 0.46451510874304625
Energy: 0.46238736999527014
Energy: 0.5319724375971957
Energy: 0.4717316295376468
Energy: 0.6341223185629421
Energy: 0.5321411024939426
Energy: 0.5320258832857608
Energy: 0.4551805480022531
Energy: 0.5373001749409841
Energy: 0.45328163759186607
Energy: 0.6279548513447836
Energy: 0.43817224490688167
Energy: 0.4463654334966075
Energy: 0.45485062705635093
Energy: 0.4373334820553978
Energy: 0.44514885482854966
Energy: 0.4938817659571511
Energy: 0.44461387216653997
Energy: 0.4996992088584777
Energy: 0.4953982315141207
Energy: 0.4579854836448677
Energy: 0.49182884058234055
Energy: 0.4791605657520943
Energy: 0.4399805826331123
Energy: 0.4401048266508731
Energy: 0.492267833473353
Energy: 0.4394780230025095
Energy: 0.4397640713550683
Energy: 0.44549123260989093
Energy: 0.4674634603978213
Energy: 0.4377479730673994
Energy: 0.45198323162052434
Energy: 0.4677784616132602
Energy: 0.4351342004882592
Energy: 0.4961413044031415
Energy: 0.46766212507296323
Energy: 0.4677676906213506
Energy: 0.4367014461749559
Energy: 0.4740360324620063
Energy: 0.44299402614305694
Energy: 0.6016933667339752
Energy: 0.46625369452794063
Energy: 0.4714764923095172
Energy: 0.4705562700607141
Energy: 0.46443798422252586
Energy: 0.4719149589245506
Energy: 0.4537637850665104
Energy: 0.43504519912825856
Energy: 0.4536092845315348
Energy: 0.45489475355329684
Energy: 0.4472942674934814
Energy: 0.4537304895890963
Energy: 0.4534060763293916
Energy: 0.43127460842818466
Energy: 0.43083128781346486
Energy: 0.45347853893066176
Energy: 0.4317311563069866
Energy: 0.43038028559488395
Energy: 0.44829094754159143
Energy: 0.4470128330114602
Energy: 0.4326042461293694
Energy: 0.4289114827045194
Energy: 0.44707876565913435
Energy: 0.42836009803660796
Energy: 0.45641332801219825
Energy: 0.44695128267464856
Energy: 0.4470947534069511
Energy: 0.4324150338898497
Energy: 0.44704482760291314
Energy: 0.43369292695904293
Energy: 0.4473321017939397
Energy: 0.4330959735729929
Energy: 0.4339369488065427
Energy: 0.44702342279935603
Energy: 0.4623048113679317
Energy: 0.4336658933405983
Energy: 0.4474137363985028
Energy: 0.4451856161117179
Energy: 0.44723960979618194
Energy: 0.44856184881101957
Energy: 0.5269130410692804
Energy: 0.4471146746577631
Energy: 0.44703333655536776
Energy: 0.4378502423368548
Energy: 0.438369755091898
Energy: 0.447756579487173
Energy: 0.46216488531273636
Energy: 0.43833669138507225
Energy: 0.47054516612319086
Energy: 0.45354075032473495
Energy: 0.45367553323244436
Energy: 0.451958132225343
Energy: 0.45371146152922043
Energy: 0.43831237529484346
Energy: 0.4484462736004845
Energy: 0.45359156987793947
Energy: 0.44908952785674294
Energy: 0.4310987622026594
Energy: 0.4538345820755598
Energy: 0.43111834571857205
Energy: 0.4675952076598891
Energy: 0.43406200463920946
Energy: 0.4337783593081968
Energy: 0.4676256199013505
Energy: 0.4337097650309351
Energy: 0.4337464842768348
Energy: 0.4678098483643932
Energy: 0.44335398400337533
Energy: 0.46772309246790766
Energy: 0.4691570621923079
Energy: 0.4457144022666805
Energy: 0.467523490309344
Energy: 0.6123804707759365
Energy: 0.45356232162488413
Energy: 0.46204625917706577
Energy: 0.48465735714204977
Energy: 0.4530206723376174
Energy: 0.46098503608752245
Energy: 0.5656890061773011
Energy: 0.49217739158191876
Energy: 0.49181561615987107
Energy: 0.43877054442046626
Energy: 0.492257775486619
Energy: 0.44524587122980547
Energy: 0.4476844211763109
Energy: 0.49177119681724435
Energy: 0.45263141247036026
Energy: 0.43813386530847753
Energy: 0.491742412679015
Energy: 0.4425893975400476
Energy: 0.49208824238236704
Energy: 0.45620264069072064
Energy: 0.45465651795273715
Energy: 0.49666255976252427
Energy: 0.4786868005585519
Energy: 0.45359151914951135
Energy: 0.5344894252774166
Energy: 0.456753343443166
Energy: 0.5360512224802385
Energy: 0.5357273184913413
Energy: 0.455744748874553
Energy: 0.5319765860958819
Energy: 0.6494989798291008
Energy: 0.4459303279303695
Energy: 0.458373880766244
Energy: 0.5127840253324707
Energy: 0.44556944823744465
Energy: 0.45808845737858495
Energy: 0.6483950020091387
Energy: 0.5123637089953974
Energy: 0.5124106331703575
Energy: 0.5126361896865176
Energy: 0.5123102667653279
Energy: 0.4807403953399858
Energy: 0.4553568063628012
Energy: 0.565316777980466
Energy: 0.48459931422056457
Energy: 0.4543316473391702
Energy: 0.6004658188976308
Energy: 0.47192530305614366
Energy: 0.5967531086106599
Energy: 0.5155193629505368
Energy: 0.5156831028004473
Energy: 0.5157186949256662
Energy: 0.5596540694383372
Energy: 0.5161086831974828
Energy: 0.6502429629137477
Energy: 0.4872885537245299
Energy: 0.4870825814442785
Energy: 0.5140721068196984
Energy: 0.5643258926369834
Energy: 0.5589161595169982
Energy: 0.6910508439503003
Energy: 0.46891630417192076
Energy: 0.4912955797883269
Energy: 0.561372019648587
Energy: 0.4686462418492103
Energy: 0.5196649782211269
Energy: 0.6590632395134608
Energy: 0.5167490213532537
Energy: 0.5155804940583686
Energy: 0.6006037821195187
Energy: 0.5586612122812854
Energy: 0.4790053897884509

minimum gb energy = 0.42836009803660796 eV
minimum distance =  2.41501948008134 Angstroms
sigma value = 81


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

Energy: 0.03646653436882117
Energy: 0.0670509600800665
Energy: 0.03703463258963683
Energy: 0.03853722042151681
Energy: 0.11417723918548514
Energy: 0.03704710047617915
Energy: 0.0672472232842855
Energy: 0.037403447982476745
Energy: 0.03741747202937628
Energy: 0.06844231976004805
Energy: 0.03843828539965028
Energy: 0.03740446254358955
Energy: 0.06621063005037466
Energy: 0.03711835388258355
Energy: 0.03751414836276538
Energy: 0.0663231798788387
Energy: 0.0370073555020398
Energy: 0.06644532225561625
Energy: 0.03928785055303585
Energy: 0.03714361196472656
Energy: 0.037099264483632426
Energy: 0.04110857688613588
Energy: 0.03703748774369197
Energy: 0.06683010013799488
Energy: 0.06641100278359215
Energy: 0.06628950566196738
Energy: 0.06637515736015653
Energy: 0.06730991769460594
Energy: 0.06606842269052059
Energy: 0.06780437449679784
Energy: 0.03753364156243713
Energy: 0.03772181124549202
Energy: 0.03710785945558321
Energy: 0.038769895440593956
Energy: 0.037136804009531114
Energy: 0.03703045927183764
Energy: 0.06643323863360112
Energy: 0.03753558338000918
Energy: 0.03751558200698507
Energy: 0.06662662502391697
Energy: 0.039161580774019
Energy: 0.03753821854664929
Energy: 0.06618625205592131
Energy: 0.03717536090109037
Energy: 0.03722630331521385
Energy: 0.06617278594163613
Energy: 0.036888255127340605
Energy: 0.06759416458931473
Energy: 0.03819291309234412
Energy: 0.03715195232178334
Energy: 0.06859131630318638
Energy: 0.03913941999047054
Energy: 0.03719618577184233
Energy: 0.06810732744787751
Energy: 0.03734577351262363
Energy: 0.06598703121145882
Energy: 0.06623193537372572
Energy: 0.03740103064064872
Energy: 0.06601596955222844
Energy: 0.06597251231631436

minimum gb energy = 0.03646653436882117 eV
minimum distance =  2.53121205812847 Angstroms
sigma value = 3


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

Energy: 0.5496998442630667
Energy: 0.5659176031431012
Energy: 0.5389500264513102
Energy: 0.5123258032970449
Energy: 0.5335405154492785
Energy: 0.5140281876673576
Energy: 0.5359374560071567
Energy: 0.5391985879799779
Energy: 0.5415869527829276
Energy: 0.5386314329727855
Energy: 0.541932275233763
Energy: 0.5418240666611724
Energy: 0.5536048834247556
Energy: 0.5158411690868449
Energy: 0.5158571492361765
Energy: 0.5360075452246861
Energy: 0.5128492484156918
Energy: 0.5323525572417769
Energy: 0.519392157807909
Energy: 0.5161728233956238
Energy: 0.5157842820069891
Energy: 0.5191250941764483
Energy: 0.46645903088598073
Energy: 0.5329314557301811
Energy: 0.47570895508963346
Energy: 0.5436480711477882
Energy: 0.5426294611963213
Energy: 0.47588056981103694
Energy: 0.5406686132632925
Energy: 0.5420153279282953
Energy: 0.5139520545310043
Energy: 0.5405962152992371
Energy: 0.5259519139764492
Energy: 0.44082434787118446
Energy: 0.5407016610104863
Energy: 0.4990145296352603
Energy: 0.5211164214226562
Energy: 0.483198617748272
Energy: 0.4841191187704055
Energy: 0.5210647242125931
Energy: 0.4868080470696051
Energy: 0.528492419098684
Energy: 0.5190439817556821
Energy: 0.5066818721794353
Energy: 0.5071181970639124
Energy: 0.5191079576461466
Energy: 0.48427870411186674
Energy: 0.4892853347971237
Energy: 0.5323281527465521
Energy: 0.507613566353069
Energy: 0.5322511811393879
Energy: 0.5349718279321203
Energy: 0.446875945580692
Energy: 0.5322379418684011
Energy: 0.49213862648352824
Energy: 0.48205908668694364
Energy: 0.4815700328066129
Energy: 0.4925507179000134
Energy: 0.48700899698937117
Energy: 0.4954366679266993
Energy: 0.5094695417294919
Energy: 0.5131975915569188
Energy: 0.5140410747553396
Energy: 0.43217719823407924
Energy: 0.5152643855126932
Energy: 0.4909740906319789
Energy: 0.45190447472220624
Energy: 0.5171210249082873
Energy: 0.5184551932374248
Energy: 0.4512143357596269
Energy: 0.5157584532466049
Energy: 0.4511273770209614
Energy: 0.4526440505119495
Energy: 0.4809462449539044
Energy: 0.4959988939666656
Energy: 0.4526555622193771
Energy: 0.41889795259886753
Energy: 0.4744648170931471
Energy: 0.5067385150669176
Energy: 0.4746714050963845
Energy: 0.49807045128244615
Energy: 0.4543233941005368
Energy: 0.4335145783012711
Energy: 0.4976245221042486
Energy: 0.5033071415502276
Energy: 0.4300790865385767
Energy: 0.4298071445660176
Energy: 0.5013403018792977
Energy: 0.4351032591552271
Energy: 0.43012519715555536
Energy: 0.5008781168793237
Energy: 0.48718929151063667
Energy: 0.48704344460827115
Energy: 0.4842523346443587
Energy: 0.4978435007600021
Energy: 0.4868288422070277
Energy: 0.425344344681144
Energy: 0.48670899652900285
Energy: 0.4852563947947007
Energy: 0.4190804246745582
Energy: 0.4880749346249418
Energy: 0.4188754429769327
Energy: 0.4199445290711189
Energy: 0.4814268255355865
Energy: 0.48171659808451867
Energy: 0.41995674942455313
Energy: 0.4212556444816467
Energy: 0.48210321342646933
Energy: 0.4939230123384578
Energy: 0.4563444141283299
Energy: 0.48072470791616845
Energy: 0.45354021117451315
Energy: 0.4547766549684585
Energy: 0.48104153435936725
Energy: 0.49747405898820607
Energy: 0.4191130451022988
Energy: 0.4188766287943737
Energy: 0.4985964867590081
Energy: 0.42446366311133565
Energy: 0.41915585448565407
Energy: 0.4973891114743984
Energy: 0.4837713308674131
Energy: 0.4868663743013722
Energy: 0.4971821205213446
Energy: 0.501978710644653
Energy: 0.4855242562267437
Energy: 0.4333873434692247
Energy: 0.48401000947892603
Energy: 0.48455420972775365
Energy: 0.43110685163170326
Energy: 0.48530546441607797
Energy: 0.4299887799202705
Energy: 0.4300996249998243
Energy: 0.49801455961943747
Energy: 0.49816191640732
Energy: 0.4301399092473059
Energy: 0.453284562815551
Energy: 0.49574339502161463
Energy: 0.5040825580429542
Energy: 0.4526382347303935
Energy: 0.4801387223943667
Energy: 0.4634894639535856
Energy: 0.4524082443566915
Energy: 0.486252397173954
Energy: 0.5231066940337952
Energy: 0.4511420469298069
Energy: 0.4509346657463754
Energy: 0.5229136434541711
Energy: 0.4569528573236502
Energy: 0.4513552155793874
Energy: 0.5179165827373153
Energy: 0.5000739243917212
Energy: 0.5002922432594632
Energy: 0.5191680901899163
Energy: 0.48114627190253056
Energy: 0.5137155117877397
Energy: 0.4859963565068903
Energy: 0.4997587952330488
Energy: 0.4999897727551343
Energy: 0.48546401247236315
Energy: 0.5208139368736862
Energy: 0.4964059881364537
Energy: 0.4617590644306903
Energy: 0.5366249234010909
Energy: 0.535572363216396
Energy: 0.4617434624442068
Energy: 0.47897942500633545
Energy: 0.5359890039810057
Energy: 0.5130874450932534
Energy: 0.5196426153703518
Energy: 0.510908714402076
Energy: 0.43191686866393425
Energy: 0.5199948161117972
Energy: 0.49452606987646636
Energy: 0.48448901057754584
Energy: 0.5236072194266206
Energy: 0.5238650594717276
Energy: 0.48467417644496996
Energy: 0.5244704581821328
Energy: 0.5320812431610062
Energy: 0.5213880726177026
Energy: 0.5119903153028337
Energy: 0.5125116563740322
Energy: 0.5216255362840759
Energy: 0.48596604567555857
Energy: 0.5126754203786632
Energy: 0.5560260914860525
Energy: 0.5100869595254754
Energy: 0.540834330781938
Energy: 0.5375571119535861
Energy: 0.48784586759352305
Energy: 0.5415654692879067
Energy: 0.48657920530530624
Energy: 0.5186013156380058
Energy: 0.5177850463235428
Energy: 0.48637070600298765
Energy: 0.5240819288610518
Energy: 0.5140814924852853

minimum gb energy = 0.4188754429769327 eV
minimum distance =  2.35645596207528 Angstroms
sigma value = 67


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

Energy: 0.6622339951893298
Energy: 0.6635992260023627
Energy: 0.6515387879765138
Energy: 0.551504880263754
Energy: 0.6596421856903953
Energy: 0.6551913918389448
Energy: 0.6353148143120535
Energy: 0.6536376599980124
Energy: 0.6461503377334239
Energy: 0.6514962829536705
Energy: 0.6533189685444473
Energy: 0.648693173682957
Energy: 0.670328600058621
Energy: 0.627610115374132
Energy: 0.6464631046261808
Energy: 0.6507385625741207
Energy: 0.6285867823853366
Energy: 0.6425520072794996
Energy: 0.6195622185097307
Energy: 0.6431541639839745
Energy: 0.6427620684851619
Energy: 0.619592543507306
Energy: 0.6370871696577671
Energy: 0.6421136373306527
Energy: 0.6131639541328794
Energy: 0.653828617165889
Energy: 0.6508224976893278
Energy: 0.6134667930600416
Energy: 0.654449447376609
Energy: 0.6490521016066025
Energy: 0.6225956858292088
Energy: 0.6443785023588884
Energy: 0.6299150920918773
Energy: 0.5686377746012129
Energy: 0.6444128747792753
Energy: 0.6290374118307859
Energy: 0.6236944335786618
Energy: 0.6212129766757658
Energy: 0.6188065937611528
Energy: 0.6224509214598989
Energy: 0.6189744745539028
Energy: 0.6175129412861775
Energy: 0.620651773896798
Energy: 0.6099365312929699
Energy: 0.615115983946015
Energy: 0.615462727966332
Energy: 0.5418057790684423
Energy: 0.6172599996145699
Energy: 0.6301797996202888
Energy: 0.6341224820569716
Energy: 0.6368791308540274
Energy: 0.6322009667170954
Energy: 0.568738367857107
Energy: 0.6366955783482556
Energy: 0.6334285151380743
Energy: 0.5721588392190491
Energy: 0.5689642133181961
Energy: 0.6337042393189887
Energy: 0.5706172526755623
Energy: 0.5689623795914612
Energy: 0.630230056379227
Energy: 0.6163081780833726
Energy: 0.6156606857498762
Energy: 0.5423133772003904
Energy: 0.6162361491305817
Energy: 0.616471178332381
Energy: 0.5468446104039316
Energy: 0.6121114826769455
Energy: 0.6123515151642607
Energy: 0.5465705871187544
Energy: 0.5715364467717466
Energy: 0.5409679255416
Energy: 0.5486047081391447
Energy: 0.6070407820145441
Energy: 0.6057477259404086
Energy: 0.5415044379144333
Energy: 0.5441363245958272
Energy: 0.5413473986011993
Energy: 0.6139434923548431
Energy: 0.6077398027615287
Energy: 0.605259324983662
Energy: 0.5424426566899598
Energy: 0.5821243753412841
Energy: 0.6044094607374701
Energy: 0.6159415229336247
Energy: 0.5446691685327653
Energy: 0.5490173896597106
Energy: 0.616105581374854
Energy: 0.5435845552545917
Energy: 0.5417562351477948
Energy: 0.616464072314745
Energy: 0.6174243853599114
Energy: 0.6139189558348933
Energy: 0.570933135594189
Energy: 0.5896246907680092
Energy: 0.6119273131942986
Energy: 0.5737036235772637
Energy: 0.608009553204426
Energy: 0.6045039754048631
Energy: 0.574230007791043
Energy: 0.5365190278739778
Energy: 0.5684768134637683
Energy: 0.5687312621284579
Energy: 0.633972233111448
Energy: 0.6377537608339391
Energy: 0.5691469701374285
Energy: 0.6340148383008313
Energy: 0.6113998041125156
Energy: 0.6138454644188633
Energy: 0.6311473080492639
Energy: 0.620733305455077
Energy: 0.5500907730753583
Energy: 0.6310945965248728
Energy: 0.6205646608566314
Energy: 0.6235628732079199
Energy: 0.6260009921272858
Energy: 0.6189899662270005
Energy: 0.6237903594634017
Energy: 0.619545486776204
Energy: 0.6170316540677768
Energy: 0.617453503121141
Energy: 0.6424009474970284
Energy: 0.6398960641694649
Energy: 0.6176225145617728
Energy: 0.6161418174065714
Energy: 0.6417816615764591
Energy: 0.6698045380727792
Energy: 0.6151615717805707
Energy: 0.6401933172262676
Energy: 0.6506707789738456
Energy: 0.6151300087387502
Energy: 0.6415117234917893
Energy: 0.6355046556138284
Energy: 0.6199560021635615
Energy: 0.6262412950793331
Energy: 0.6359747892484547
Energy: 0.6178653702352784
Energy: 0.6175122117714266

minimum gb energy = 0.5365190278739778 eV
minimum distance =  2.348489289529 Angstroms
sigma value = 33


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

Energy: 0.7653384854250576
Energy: 0.7595610843320675
Energy: 0.7617830854240443
Energy: 0.7443253410191102
Energy: 0.7455885893925148
Energy: 0.7222606053143483
Energy: 0.7114863409188199
Energy: 0.6795448632517136
Energy: 0.6793986057339905
Energy: 0.6774855869278388
Energy: 0.7460998283891503
Energy: 0.6341638227156645
Energy: 0.7574816481869953
Energy: 0.6707793428691741
Energy: 0.7180127409714613
Energy: 0.7299863274308519
Energy: 0.6776554161405411
Energy: 0.6802398908090218
Energy: 0.6806865290874167
Energy: 0.7018716094097583
Energy: 0.7179821203497855
Energy: 0.6807875280618012
Energy: 0.7284190272909442
Energy: 0.7190606949441325
Energy: 0.6789985121130291
Energy: 0.6822363418021922
Energy: 0.628015700139564
Energy: 0.679115932868701
Energy: 0.6818095889737915
Energy: 0.6341374887470915
Energy: 0.714440493061341
Energy: 0.628092083871854
Energy: 0.6274514838915797
Energy: 0.6291991629211421
Energy: 0.6274086944433113
Energy: 0.6363669399385778
Energy: 0.6793569140190785
Energy: 0.6290704646895374
Energy: 0.6280260480966424
Energy: 0.6794590775386932
Energy: 0.6282261234994744
Energy: 0.6790983397707644
Energy: 0.6805379595406945
Energy: 0.625363775649551
Energy: 0.6415833355258732
Energy: 0.6804162249425423
Energy: 0.6303895925918414
Energy: 0.6337568947715916
Energy: 0.6991351900333596
Energy: 0.6778559862121211
Energy: 0.7058315857559834
Energy: 0.6345070044769576
Energy: 0.6282227060868496
Energy: 0.7025333322519126
Energy: 0.6991967485178513
Energy: 0.630998528993535
Energy: 0.6269931525796255
Energy: 0.7001909564385808
Energy: 0.627285683461197
Energy: 0.6266736481699205
Energy: 0.6642700019071196
Energy: 0.6722315073261639
Energy: 0.6876652574136812
Energy: 0.6293896723053162
Energy: 0.6646385805951597
Energy: 0.6860862715161222
Energy: 0.6259257017766267
Energy: 0.627866839656003
Energy: 0.6289965790362704
Energy: 0.6257784525554293
Energy: 0.6383252478033372
Energy: 0.6262008244073134
Energy: 0.6264094510704277
Energy: 0.7033026007384298
Energy: 0.7037692331973799
Energy: 0.6263979539202474
Energy: 0.6354469679027338
Energy: 0.626441548326487
Energy: 0.6137464859550056
Energy: 0.6330327772241141
Energy: 0.6995419701958215
Energy: 0.6144246712191075
Energy: 0.6992518594147269
Energy: 0.6844116074081721
Energy: 0.7090081186938609
Energy: 0.6831782859317561
Energy: 0.633168987212329
Energy: 0.612036141144343
Energy: 0.6801248571357037
Energy: 0.6776247033758819
Energy: 0.6735623447740273
Energy: 0.6114770501876431
Energy: 0.6105356933790882
Energy: 0.6744019807295615
Energy: 0.6379207656456213
Energy: 0.6739411726866781
Energy: 0.7595906236873713
Energy: 0.6375110268408096
Energy: 0.6113254723079765
Energy: 0.7303214398844676
Energy: 0.642493977041795
Energy: 0.6105964553733871
Energy: 0.7597156184008603
Energy: 0.6808377344951991
Energy: 0.6791458822495365
Energy: 0.6766908368441924
Energy: 0.6799981959400344
Energy: 0.7280045599802442
Energy: 0.7173234313507033
Energy: 0.7315815671413022
Energy: 0.7346164297110462
Energy: 0.642959276510275
Energy: 0.7315423025993772
Energy: 0.7048109228234637
Energy: 0.7112083705701401
Energy: 0.6821422009043036
Energy: 0.6827551862598643
Energy: 0.7117202943120555
Energy: 0.6818894727001265
Energy: 0.634500714860123
Energy: 0.760962320238536
Energy: 0.7121378987113557
Energy: 0.6298917432805429
Energy: 0.7314521655074254
Energy: 0.6845337162938114
Energy: 0.6296620583171616
Energy: 0.732613916613675
Energy: 0.6711731873512256
Energy: 0.7180522939036618
Energy: 0.7316815311972568
Energy: 0.6711811798933855
Energy: 0.7195297336309839
Energy: 0.6791691302882071
Energy: 0.6827565760329434
Energy: 0.6345719951871899
Energy: 0.6793987315893134
Energy: 0.6823677467970617
Energy: 0.6783056501117413
Energy: 0.7143084732540358
Energy: 0.6272322280900184
Energy: 0.6277309565178585
Energy: 0.6253775494458044
Energy: 0.6266836637477071
Energy: 0.6944884076774073
Energy: 0.6788403968870259
Energy: 0.6281932614034609
Energy: 0.6278016640843519
Energy: 0.6789927240515997
Energy: 0.6282080793753511
Energy: 0.7243297833789127
Energy: 0.6840305935583298
Energy: 0.6256324234803446
Energy: 0.7021354515751934
Energy: 0.6803589243479256
Energy: 0.6297194404885307
Energy: 0.6351368312133955
Energy: 0.6984539502501926
Energy: 0.6768017891338151
Energy: 0.706913575712783
Energy: 0.7017537374445717
Energy: 0.6425339327251431
Energy: 0.7034189620611567
Energy: 0.6991470875091961
Energy: 0.626814275322679
Energy: 0.6269005430021486
Energy: 0.7000825366175581
Energy: 0.6277138491890197
Energy: 0.6265086600619246
Energy: 0.6630620314484332
Energy: 0.6656301993230611
Energy: 0.6844544153267094
Energy: 0.6302075199400754
Energy: 0.6635425918876168
Energy: 0.6880035355166416
Energy: 0.625790387389657
Energy: 0.6270452477365197
Energy: 0.6286503530225758
Energy: 0.6258523281746863
Energy: 0.6405888697985316
Energy: 0.6263915655120416
Energy: 0.6286060299385491
Energy: 0.7015071155002657
Energy: 0.6695107569900826
Energy: 0.6267267122303749
Energy: 0.6345868615888008
Energy: 0.6262732825729902
Energy: 0.6112507082336467
Energy: 0.6325614715752181
Energy: 0.6987874180119985
Energy: 0.6145935847294574
Energy: 0.7031314984709658
Energy: 0.685030105021207
Energy: 0.7031464268330326
Energy: 0.6841058040803522
Energy: 0.6363563574707576
Energy: 0.6130295635969706
Energy: 0.6810150343245865
Energy: 0.6741450181275507
Energy: 0.6733766655066438
Energy: 0.7157726217245238
Energy: 0.6730185448279364
Energy: 0.6336904651510645
Energy: 0.6383177465963279
Energy: 0.672777529601437
Energy: 0.8000987647995675
Energy: 0.6376980723877947
Energy: 0.6112141755897951
Energy: 0.7329787269510221
Energy: 0.6151374536338512
Energy: 0.6108259181011989
Energy: 0.763577882930004
Energy: 0.6823014117153618
Energy: 0.6326490302483679
Energy: 0.6824052490758691
Energy: 0.6822465744511104
Energy: 0.632577594589944
Energy: 0.7176076952949673
Energy: 0.7314279347429463
Energy: 0.7340823468609458
Energy: 0.6407916151341486
Energy: 0.7314002355158092
Energy: 0.7040074471394626

minimum gb energy = 0.6105356933790882 eV
minimum distance =  2.36730047006811 Angstroms
sigma value = 41


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

Energy: 0.8735768451097129
Energy: 0.8404491705930947
Energy: 0.8402957264060649
Energy: 0.7380220070929194
Energy: 0.7714088569958027
Energy: 0.8391096649876344
Energy: 0.7936235758379258
Energy: 0.7757002717594303
Energy: 0.7768313635426459
Energy: 0.7733176301142931
Energy: 0.7749503294861491
Energy: 0.752542956914826
Energy: 0.8781708028801616
Energy: 0.7371386431229372
Energy: 0.7347902864235145
Energy: 0.7737766348594334
Energy: 0.7402712142843545
Energy: 0.7368040797109856
Energy: 0.7768993894804034
Energy: 0.7373546055986998
Energy: 0.7353833620135144
Energy: 0.7772140295623948
Energy: 0.7385786770639639
Energy: 0.7617236527794876
Energy: 0.7608229400050832
Energy: 0.7765972849401205
Energy: 0.7544778861448996
Energy: 0.7610668623505935
Energy: 0.7761079159147334
Energy: 0.737660478497043
Energy: 0.7745907501263406
Energy: 0.7788086832107308
Energy: 0.7369855519779903
Energy: 0.7634064876122041
Energy: 0.7786447504892545
Energy: 0.7362337837600776
Energy: 0.7596672726598014
Energy: 0.7397131131588309
Energy: 0.7510071618308287
Energy: 0.7597157760427198
Energy: 0.7381359448194984
Energy: 0.740282082666086
Energy: 0.7635788215550431
Energy: 0.7388350275787626
Energy: 0.7372980740326147
Energy: 0.7644914486214596
Energy: 0.7646676579601445
Energy: 0.7643631148500164
Energy: 0.8038883876954577
Energy: 0.7385337428911283
Energy: 0.7365775832221605
Energy: 0.8037636512187616
Energy: 0.7813753297265603
Energy: 0.7366155556593261
Energy: 0.7779805334783974
Energy: 0.7647160632668317
Energy: 0.772391952542912
Energy: 0.7664119217536668
Energy: 0.7608638316292079
Energy: 0.7365222342533355
Energy: 0.8304216847229026
Energy: 0.7741469022348445
Energy: 0.7407696539883775
Energy: 0.8297024237031589
Energy: 0.7232385551164319
Energy: 0.7401199179777395
Energy: 0.8825527124264524
Energy: 0.7228837656559286
Energy: 0.7234272721460575
Energy: 0.8836627499454577
Energy: 0.7226134283893371
Energy: 0.7742092987493332
Energy: 0.8812176068017649
Energy: 0.7628406389648444
Energy: 0.7528537474298467
Energy: 0.7740813970325862
Energy: 0.7637888560248507
Energy: 0.7523811415515369
Energy: 0.7217990184832366
Energy: 0.7750782661601525
Energy: 0.7283792184377894
Energy: 0.7264680258920576
Energy: 0.7751805620426021
Energy: 0.724677914908319

minimum gb energy = 0.7217990184832366 eV
minimum distance =  2.35490201701063 Angstroms
sigma value = 11


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

Energy: 0.8515219872115188
Energy: 1.1021226906740411
Energy: 0.906773592743693
Energy: 0.8844210611316993
Energy: 0.8832174754356333
Energy: 0.8602592596802516
Energy: 0.9602143317248911
Energy: 0.8557303048688897
Energy: 0.8588115113217182
Energy: 0.8926367632027621
Energy: 0.8549871707340638
Energy: 0.884203104118788
Energy: 1.008848317672859
Energy: 0.8578016877362675
Energy: 0.862403158374926
Energy: 0.8614739606875692
Energy: 0.8584961377665639
Energy: 0.8754553830060763
Energy: 0.8844628671055866
Energy: 0.8487254766960299
Energy: 0.879650028525359
Energy: 0.8578857374218753
Energy: 0.8509706224005607
Energy: 0.8791847451558233
Energy: 0.8789924149232993
Energy: 0.8567435941116326
Energy: 0.8570087008481011
Energy: 0.8645025407281748
Energy: 0.859487190147436
Energy: 0.8849526961347361
Energy: 0.9011172518280666
Energy: 0.8630472426559835
Energy: 0.8664398901337665
Energy: 0.8566972725856039
Energy: 0.8726210384186911
Energy: 0.8709924432925619
Energy: 0.8728590104853052
Energy: 0.8661901269211084
Energy: 0.866384245116856
Energy: 0.8728011231679166
Energy: 0.8742630967845193
Energy: 0.8706080394787725
Energy: 0.8707978994621981
Energy: 0.8572784606511512
Energy: 0.8840665504559897
Energy: 0.8569429964310585
Energy: 0.8993004055126509
Energy: 0.8582706408479308
Energy: 0.8504948706807858
Energy: 0.8753060656820051
Energy: 0.8799433726516896
Energy: 0.84514284308718
Energy: 0.8635513182934653
Energy: 0.8469606638687859
Energy: 0.8504027407669446
Energy: 0.8749941503744335
Energy: 0.8804063267918223
Energy: 0.8472711689575757
Energy: 0.8616092033400904
Energy: 0.8509278188000621
Energy: 0.8711844819970139
Energy: 0.8591543794850102
Energy: 0.8850096245874615
Energy: 0.857018741951234
Energy: 0.8610201759874819
Energy: 0.8577698754178265
Energy: 0.8564379259921971
Energy: 0.8550866657090836
Energy: 0.8616922860891864
Energy: 0.8567732242235302
Energy: 0.8613006456436686
Energy: 0.8714475180412887
Energy: 0.85505241625295
Energy: 0.8574636821263028
Energy: 0.8571404816159365
Energy: 0.854880777632102
Energy: 0.8652375519703228
Energy: 0.8856313009810017
Energy: 0.8704692422804834
Energy: 0.8739594920666228
Energy: 0.8689999879206939
Energy: 0.8584570161259739
Energy: 0.8933571508310335
Energy: 0.8634001968403071
Energy: 0.8496013507343351
Energy: 0.8568997489089181
Energy: 0.878104299804197
Energy: 0.8539458719690899
Energy: 0.8586346623664948
Energy: 0.8785315443651751
Energy: 0.8496613662042573
Energy: 0.856166772894708
Energy: 0.8796191989267766
Energy: 0.8507648639903389
Energy: 0.8588427329302691
Energy: 0.849313986986752
Energy: 0.8487740138948752
Energy: 0.8536251514818431
Energy: 0.8810278337041673
Energy: 0.8491847294645246
Energy: 0.8546342229226271
Energy: 0.8719528504077104
Energy: 0.887280570467507
Energy: 0.873479337914915
Energy: 0.8938124975109928
Energy: 0.8583819097498865
Energy: 0.9228753855286398
Energy: 0.859016533899292
Energy: 0.8646138707910955
Energy: 0.8542547859218377
Energy: 0.8534892214888067
Energy: 0.865160136730751
Energy: 0.8544795243964647
Energy: 0.8816453253721165
Energy: 0.8746953464994187
Energy: 0.8475176897369329
Energy: 0.8592625622252418
Energy: 0.8601240339104818
Energy: 0.8514026880679153
Energy: 0.8731877937101226
Energy: 0.9285065018474338
Energy: 0.8508013764355712
Energy: 0.8738005163314824
Energy: 0.8574475342289335
Energy: 0.8510690547160025
Energy: 0.8567173559148504
Energy: 0.8903624699686227
Energy: 0.8569247632585677
Energy: 0.8560878438909335
Energy: 0.8707323271685992
Energy: 0.8579075540195795
Energy: 0.8711162737957256
Energy: 0.8711105117694546
Energy: 0.8691615113982291
Energy: 0.8740083617119491
Energy: 0.8582180190218046
Energy: 0.8600637010081634
Energy: 0.8621010216803138
Energy: 0.9254290420745175
Energy: 0.8652677929758176
Energy: 0.8726032655969318
Energy: 0.8658784397648115
Energy: 0.8613789259754331
Energy: 0.8532782674810478
Energy: 0.9212430997269689
Energy: 0.8578969984054433
Energy: 0.8719934030156213
Energy: 0.9222846688402666
Energy: 0.8557610733268717
Energy: 0.8614286659949199
Energy: 0.9193338935896195
Energy: 0.8637602496691975
Energy: 0.8791190892834178
Energy: 0.8584398980317363
Energy: 0.8532769405442969
Energy: 0.8792329138715018
Energy: 0.8984618727268454
Energy: 0.8550600231079795
Energy: 0.849477687725846
Energy: 0.858772251445413
Energy: 0.8510806854180107
Energy: 0.8787618974361555
Energy: 0.8987531182834262
Energy: 0.8505238827664144
Energy: 0.8790351853908787
Energy: 0.8583428517155096
Energy: 0.8537989925176145
Energy: 0.8782135778279656
Energy: 0.9125973958554491
Energy: 0.859683461308861
Energy: 0.860693573056235
Energy: 0.8588805288271643
Energy: 0.8813480533065651
Energy: 0.8678748821690685
Energy: 1.0080743160162662
Energy: 0.8554655430847129
Energy: 0.883985959913044
Energy: 0.8657492127801312
Energy: 0.8551196947497657
Energy: 0.8786944852777372
Energy: 0.8846443854329356
Energy: 0.8585162347435565
Energy: 0.87152205578576
Energy: 0.8520538390619526
Energy: 0.857559430532241
Energy: 0.858952994510127

minimum gb energy = 0.84514284308718 eV
minimum distance =  2.34927351956488 Angstroms
sigma value = 57


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

Energy: 1.1842190391560965
Energy: 0.9624969954121078
Energy: 0.9652872784416316
Energy: 0.960649283137399
Energy: 1.2713618476503992
Energy: 0.9635008502626226
Energy: 0.850616731194826
Energy: 0.8742393294461298
Energy: 0.8714786578322657
Energy: 0.8801914993386619
Energy: 0.87835081635289
Energy: 0.8687269670680074
Energy: 0.9144018425806747
Energy: 0.890826355572563
Energy: 0.8889511089242341
Energy: 0.9153213046353161
Energy: 0.8751026172445817
Energy: 0.872777925286752
Energy: 0.8724532929913935
Energy: 0.8764678632878619
Energy: 0.8677990291471102
Energy: 0.8735687750593181
Energy: 0.8713266887999769
Energy: 0.86886183080864
Energy: 0.8774166342559561
Energy: 0.876057411388764
Energy: 0.8718315520140687
Energy: 0.8743653341629457
Energy: 0.8737864381544106
Energy: 0.8693354951526049
Energy: 0.8744160762424329
Energy: 0.8800395481275514
Energy: 0.8779593754736266
Energy: 0.8779427703787975
Energy: 0.91634772970294
Energy: 0.8715852216759825
Energy: 0.9130177149845443
Energy: 0.8891725696750571
Energy: 0.8942902811705804
Energy: 0.9140233950622952
Energy: 0.8853453671922785
Energy: 0.9339409372850701
Energy: 0.9553560648531091
Energy: 0.876206551835286
Energy: 0.8725322793252183
Energy: 0.8767206325612071
Energy: 0.874915202514524
Energy: 0.8679231368383333
Energy: 0.8512787489807795
Energy: 0.8751176366076756
Energy: 0.8891759498959261
Energy: 0.8557405869412389
Energy: 0.8723257381165301
Energy: 0.8912256687153572
Energy: 0.8505127918077794
Energy: 0.874427409098034
Energy: 0.8893739472528756
Energy: 0.8551075369245912
Energy: 0.8734388669381267
Energy: 0.8522599471854412
Energy: 0.91338083158354
Energy: 0.8773805976853833
Energy: 0.8806386237931414
Energy: 0.8770191774546212
Energy: 0.8751818758186617
Energy: 0.8683459339994893
Energy: 0.9041296678378924
Energy: 0.8920461041920418
Energy: 0.8893433847405188
Energy: 0.9044365394091882
Energy: 0.8937685845996096
Energy: 0.8755554621532533
Energy: 0.8808582412401565
Energy: 0.8734104951253322
Energy: 0.8993043019389606
Energy: 0.8797403890498718
Energy: 0.8774709561388775
Energy: 0.8680038740448041
Energy: 0.8734902827125266
Energy: 0.9153289869118149
Energy: 0.8749899523721293
Energy: 0.8780635616416677
Energy: 0.9158731153984698
Energy: 0.8772607331296557
Energy: 0.8781962714467902
Energy: 0.886636358770742
Energy: 0.8697176794990288
Energy: 0.8764035148769591
Energy: 0.8862779597771957
Energy: 0.8680907842357753
Energy: 0.9163421751927283
Energy: 0.8871500975586928
Energy: 0.8869347050204878
Energy: 0.9142317662265508
Energy: 0.8867445544014164
Energy: 0.8781701757283936
Energy: 0.8507073534678424
Energy: 0.8800746205975986
Energy: 0.8712571985506632
Energy: 0.851307870704563
Energy: 0.8787915781474703
Energy: 0.8723395941887759

minimum gb energy = 0.8505127918077794 eV
minimum distance =  2.35843416262016 Angstroms
sigma value = 9


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

Energy: 1.449166230778471
Energy: 0.967319049933286
Energy: 0.9250619640606175
Energy: 0.9235260617084707
Energy: 1.3640698111532972
Energy: 0.92378932399181
Energy: 0.9513572144246959
Energy: 0.9172042896175451
Energy: 0.9188869869390981
Energy: 0.9146973359486659
Energy: 0.939511344950861
Energy: 0.9174054788831698
Energy: 0.9254772856463487
Energy: 0.9243446349640885
Energy: 0.9213840397504742
Energy: 0.9053593784441599
Energy: 0.9141429836497368
Energy: 0.9187118831550432
Energy: 0.911049255127875
Energy: 0.9159991908155758
Energy: 0.9307967458100594
Energy: 0.9137570878683428
Energy: 0.9139169862575063
Energy: 0.9290381283695438
Energy: 0.9504048299073634
Energy: 0.8915299889466545
Energy: 0.8887842425809946
Energy: 0.8872964654837443
Energy: 0.8878852652438248
Energy: 0.8876370611940422
Energy: 0.9218714646614374
Energy: 0.9172878993408635
Energy: 0.9153270037212906
Energy: 0.9227471762868535
Energy: 0.9204445873795746
Energy: 0.9154655864550918
Energy: 0.9055339502556639
Energy: 0.9159338880953932
Energy: 0.9077179193120106
Energy: 0.8867072146806116
Energy: 0.9193392184145237
Energy: 0.9169858145404147
Energy: 0.9417377583100723
Energy: 0.9157365520974278
Energy: 0.9195836611097229
Energy: 0.9065538514907219
Energy: 0.9148086012257477
Energy: 0.9201983294512786
Energy: 0.9611209649948582
Energy: 0.8911424919453791
Energy: 0.8895427290414148
Energy: 0.9373542956282127
Energy: 0.8879609731358097
Energy: 0.9203095117921465
Energy: 0.9609051620269486
Energy: 0.8895557331710224
Energy: 0.8870271685755886
Energy: 0.9374066603108338
Energy: 0.9069495717231666
Energy: 0.8868955691867624
Energy: 0.9416758076255313
Energy: 0.9040554231145022
Energy: 0.9033053837959693
Energy: 0.9082198165644639
Energy: 0.9022259727226846
Energy: 0.8886677840194633
Energy: 0.9468789074000343
Energy: 0.9160870716836326
Energy: 0.9225188231996518
Energy: 0.9269879583710471
Energy: 0.914457216579281
Energy: 0.9168125731016413
Energy: 0.9609886872925628
Energy: 0.9162222384427762
Energy: 0.9168210328081537
Energy: 0.9275413240818599
Energy: 0.9133633049499397
Energy: 0.914954443097998
Energy: 0.9474039914567831
Energy: 0.9143691165613279
Energy: 0.9157650175778329
Energy: 0.9278072237864635
Energy: 0.9148370909420753
Energy: 0.9284654384712115
Energy: 0.941024163313312
Energy: 0.9029914047263937
Energy: 0.8863000196189968
Energy: 0.9266349881329795
Energy: 0.9009495724666242
Energy: 0.8905141785264854
Energy: 0.9256904943467541
Energy: 0.9276493748167518
Energy: 0.885387533803172
Energy: 0.9262918636679208
Energy: 0.935491130835663
Energy: 0.8855441331010945
Energy: 0.9317821790218049
Energy: 0.9272847433126491
Energy: 0.9294451884598802
Energy: 0.9334906582285183
Energy: 0.9132638372227546
Energy: 0.9155696227453193
Energy: 1.0297354953569324
Energy: 0.9159332610316616
Energy: 0.8875960195285973
Energy: 0.8915472251931088
Energy: 0.932619033005942
Energy: 0.8878624019615158
Energy: 0.9266835516785258
Energy: 0.9149850301254097
Energy: 0.9230344180349751
Energy: 0.9269187196448218
Energy: 0.9088679084155158
Energy: 0.9195694752773881
Energy: 0.9259304092213431
Energy: 0.9299970647852913
Energy: 0.9242744547118569
Energy: 0.8871308452081282
Energy: 0.9143182438205373
Energy: 0.9194760710256771
Energy: 0.9310211922181097
Energy: 0.8890363308604334
Energy: 0.9175272083440177
Energy: 0.9145790860051871
Energy: 0.9299360424665166
Energy: 0.8866057463647974

minimum gb energy = 0.885387533803172 eV
minimum distance =  2.35676099429747 Angstroms
sigma value = 27


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

Energy: 1.3022125934936513
Energy: 0.9339296472784203
Energy: 0.8869421142463133
Energy: 0.8895275355295733
Energy: 1.2125284089310782
Energy: 0.9365596143162399
Energy: 0.9465760634922046
Energy: 0.9068114387658771
Energy: 0.9515306084449114
Energy: 0.8766775169213226
Energy: 0.9078511907967115
Energy: 0.9316701940892819
Energy: 1.0066825118976719
Energy: 0.8896611327377468
Energy: 0.926560293644012
Energy: 0.8783993325435615
Energy: 0.9265948344418202
Energy: 0.892893711915246
Energy: 1.0418209167057038
Energy: 0.9075818918510682
Energy: 0.8923165500520677
Energy: 0.9769924684022521
Energy: 0.9240115181164031
Energy: 0.9633128850419151
Energy: 0.9323226310636855
Energy: 0.930002829403002
Energy: 0.965013336925891
Energy: 0.9308997155127384
Energy: 0.9295735369610518
Energy: 0.9119374801294476
Energy: 1.0145991390994438
Energy: 0.9652735169047759
Energy: 0.9643815591540774
Energy: 0.9587979042551772
Energy: 0.9593892911007423
Energy: 0.9630828484241913
Energy: 1.0064069197706507
Energy: 0.9281112800541489
Energy: 0.933383404656941
Energy: 0.882452918472471
Energy: 0.9277461533289062
Energy: 0.9304166078109956
Energy: 0.9940691558820368
Energy: 0.9329746500287078
Energy: 0.9847418371538589
Energy: 0.9784944767513711
Energy: 0.9281137065514125
Energy: 0.9821507926352905
Energy: 0.9879813341439019
Energy: 0.9761838745086518
Energy: 0.9643041583072203
Energy: 0.959205173702346
Energy: 0.9737485894808094
Energy: 0.9634279373910911
Energy: 0.988384165053389
Energy: 0.9356502233435846
Energy: 0.9363152932016985
Energy: 0.959839506001168
Energy: 0.935741929387953
Energy: 0.9432640130655534
Energy: 0.9918614102156914
Energy: 0.9658521923983714
Energy: 0.9643959092100951
Energy: 0.971884727009816
Energy: 0.9167532366457469
Energy: 0.9627915760977892
Energy: 0.9676655615439727
Energy: 0.9397520444450085
Energy: 0.9367893571266034
Energy: 0.9342538851478577
Energy: 0.9373410582614089
Energy: 0.9355761521979494
Energy: 1.0681093391253944
Energy: 0.9727847885926172
Energy: 0.9373482944719568
Energy: 0.9325891951365229
Energy: 0.9699349045356973
Energy: 0.9376574273846855
Energy: 1.0298290966381727
Energy: 0.9366777869602926
Energy: 0.9352832343221393
Energy: 0.9324518456195533
Energy: 0.9354921204360849
Energy: 0.932517726169373
Energy: 0.9652790439652003
Energy: 0.9358829315971615
Energy: 0.9340154265405207
Energy: 0.9370902585867494
Energy: 0.9347048461697515
Energy: 0.9359141496195281
Energy: 0.9651105310611902
Energy: 0.9401236674162092
Energy: 0.9387564193445318
Energy: 0.9531320801282949
Energy: 0.9343430905348072
Energy: 0.9627507048547257
Energy: 0.9447362144840102
Energy: 0.9325948914357746
Energy: 0.9329096028448647
Energy: 0.9437430790300709
Energy: 0.9334445379633176
Energy: 0.9328795037192155
Energy: 0.9715956910121102
Energy: 0.9688305033436104
Energy: 0.9631754678676838
Energy: 0.9635987458711943
Energy: 0.9769373148201962
Energy: 0.9617423496038241
Energy: 0.9779528192408903
Energy: 0.9328250813024452
Energy: 0.9356802356079613
Energy: 0.9776441624815014
Energy: 0.9156520470816637
Energy: 0.9324530158187705
Energy: 1.0190263129320605
Energy: 0.9189771775397846
Energy: 0.9348188834315327
Energy: 0.8896979209837245
Energy: 0.9159221073420935
Energy: 0.9318083607413742
Energy: 0.9865062713118071
Energy: 0.9646779463131265
Energy: 0.9663179345109891
Energy: 0.9600079883961995
Energy: 0.9678896664599057
Energy: 0.9621078400348766
Energy: 0.9259484632937963
Energy: 0.9594083468857789
Energy: 0.9262109298710425
Energy: 0.9263026886399608
Energy: 0.9510793787733687
Energy: 0.9300387839411123
Energy: 0.9914069311516144
Energy: 0.9100407634943648
Energy: 0.9074024859961347
Energy: 0.876473691798542
Energy: 0.8870543664591042
Energy: 0.9865848714005541
Energy: 1.00449945809924
Energy: 0.8933441832773276
Energy: 0.9105988871769986
Energy: 0.8782201999468306
Energy: 0.912092246382829
Energy: 0.9029748731493162
Energy: 1.0162316150297661
Energy: 0.9552061784791777
Energy: 0.9092930613190406
Energy: 0.8915019020758341
Energy: 0.9091032433313876
Energy: 0.9134110525445495

minimum gb energy = 0.876473691798542 eV
minimum distance =  2.2699964858634 Angstroms
sigma value = 19


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

Energy: 0.9292829277455463
Energy: 0.9335328663382517
Energy: 0.8997933345247043
Energy: 0.8856419976871241
Energy: 0.9182564772785168
Energy: 0.8637804583793446
Energy: 0.9053056834630605
Energy: 0.8749944319622582
Energy: 0.8703694595978866
Energy: 0.8735780000909096
Energy: 0.8750751533308169
Energy: 0.8731554662750582
Energy: 0.9069347073227964
Energy: 0.8734742526643211
Energy: 0.8750039411687925
Energy: 0.8829098337165183
Energy: 0.8763168596544431
Energy: 0.8716698740154333
Energy: 0.903994391599849
Energy: 0.8762606407277935
Energy: 0.8743391408179899
Energy: 0.8745310434580239
Energy: 0.8732539786202154
Energy: 0.8747021547577775
Energy: 0.8977702281989344
Energy: 0.8756346646179844
Energy: 0.8764098702801455
Energy: 0.8804515157883391
Energy: 0.8833487604377
Energy: 0.8779639340870681
Energy: 0.9159612101968335
Energy: 0.9075160535954533
Energy: 0.8771138689285695
Energy: 0.8953456040174068
Energy: 0.8777157840074954
Energy: 0.8743593797840088
Energy: 0.8978628844741784
Energy: 0.8801176973648371
Energy: 0.8765492738239038
Energy: 0.8739492184525516
Energy: 0.883089856166381
Energy: 0.8738706406383002
Energy: 0.9014739679389052
Energy: 0.8781197409675098
Energy: 0.8683548625229047
Energy: 0.8748444748577533
Energy: 0.8722698583861609
Energy: 0.8705565879328315
Energy: 0.8848065844202941
Energy: 0.8704613137997566
Energy: 0.8738832412760706
Energy: 0.8731794135093967
Energy: 0.8691716800346075
Energy: 0.8823437440839471
Energy: 0.8852485876970795
Energy: 0.883793738591661
Energy: 0.8834692171303828
Energy: 0.8732317087662019
Energy: 0.8841278558609148
Energy: 0.8837807914852485
Energy: 0.9064313720224491
Energy: 0.8654938961400656
Energy: 0.8686168214573866
Energy: 0.8842707393612933
Energy: 0.8645921683898171
Energy: 0.8528138132110351
Energy: 0.9057608070469605
Energy: 0.8686991694253092
Energy: 0.8562924161060959
Energy: 0.8478481652306977
Energy: 0.8734918209648699
Energy: 0.8563090742449395
Energy: 0.914959690785562
Energy: 0.8729030358598737
Energy: 0.8602612356538002
Energy: 0.894264732547099
Energy: 0.8759313141966845
Energy: 0.8738175458571057
Energy: 0.9395988083264489
Energy: 0.8844790731219127
Energy: 0.8831779242947493
Energy: 0.8654945673247119
Energy: 0.8937422965842213
Energy: 0.8737059721113059
Energy: 0.9050017465106015
Energy: 0.8685261118596334
Energy: 0.8689859220537693
Energy: 0.8582896704002112
Energy: 0.8691252383740555
Energy: 0.8684914883499109
Energy: 0.9058202181406221
Energy: 0.8662990080644355
Energy: 0.8650555348972766
Energy: 0.8586821427545875
Energy: 0.8704406835386936
Energy: 0.8644620922013962
Energy: 0.896735892788279
Energy: 0.8748820769046578
Energy: 0.881300025589895
Energy: 0.8694946952549718
Energy: 0.8854760500989992
Energy: 0.880246872504596
Energy: 0.921885284812977
Energy: 0.8590154829177316
Energy: 0.8641923319817079
Energy: 0.8753591432439655
Energy: 0.8637953182577971
Energy: 0.8642105055020544
Energy: 0.9159563889634771
Energy: 0.8678358093508679
Energy: 0.8684757762426325
Energy: 0.8848640272751892
Energy: 0.8699792008939975
Energy: 0.8716178377300725
Energy: 0.8909146513910037
Energy: 0.8674439543204403
Energy: 0.8686355220648551
Energy: 0.8769029520628853
Energy: 0.8671919454478421
Energy: 0.8815910566787384
Energy: 0.8709844287234653
Energy: 0.8751460518391637
Energy: 0.8644154169527588
Energy: 0.873562659021163
Energy: 0.8597888723571766
Energy: 0.8650848859097114
Energy: 0.8685063302514924
Energy: 0.8474110577488437
Energy: 0.8560462536050195
Energy: 0.8696747434248235
Energy: 0.8474528669354042
Energy: 0.8561688216858769
Energy: 0.8946850612986181
Energy: 0.8833608914255017
Energy: 0.8790407332889513
Energy: 0.8921175958776512
Energy: 0.8638876465676605
Energy: 0.8663510847309802
Energy: 0.9158530960663153
Energy: 0.8634665385250025
Energy: 0.8641846192322938
Energy: 0.8959445282231736
Energy: 0.8634567397607538
Energy: 0.8702138683984365
Energy: 0.9134609818166695
Energy: 0.851435588297775
Energy: 0.8473196599137043
Energy: 0.8691125578850203
Energy: 0.855271647355242
Energy: 0.8682326423231764
Energy: 0.9011034878058992
Energy: 0.868796523734532
Energy: 0.8681316525203338
Energy: 0.8725542677627465
Energy: 0.8720549468537553
Energy: 0.8734790396647334
Energy: 0.9081002618075937
Energy: 0.87425199225024
Energy: 0.8741343240886902
Energy: 0.888458223840184
Energy: 0.8732370825334403
Energy: 0.8812598592966968
Energy: 0.9068428327026069
Energy: 0.877564637754561
Energy: 0.8770536202804152
Energy: 0.8657132609550985
Energy: 0.8724762060669152
Energy: 0.8740649937169598
Energy: 0.9303271142652101
Energy: 0.9200464439567161
Energy: 0.9203180569798057
Energy: 0.8622079408835036
Energy: 0.9195729306348465
Energy: 0.8840495069711191

minimum gb energy = 0.8473196599137043 eV
minimum distance =  2.3310536842543 Angstroms
sigma value = 101


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

Energy: 1.3015430751600894
Energy: 0.8624031645569622
Energy: 0.8517359524798787
Energy: 0.8162390879964317
Energy: 0.8416876538642981
Energy: 0.8149658956385285
Energy: 0.9308925869945543
Energy: 0.8413946180045232
Energy: 0.850429095316721
Energy: 0.8391020856709257
Energy: 0.8363565727955993
Energy: 0.8494293063243245
Energy: 0.8997465411297522
Energy: 0.8403460309647989
Energy: 0.8461236927799033
Energy: 0.83613280075405
Energy: 0.8394886676492211
Energy: 0.8370392072943694
Energy: 0.8861120852852041
Energy: 0.8427857124228552
Energy: 0.8515417670238187
Energy: 0.8374364239364298
Energy: 0.8417620659726436
Energy: 0.8527849415559339
Energy: 0.8510942983371449
Energy: 0.8368769923151242
Energy: 0.8382132005415106
Energy: 0.8522706887595213
Energy: 0.8369022036899696
Energy: 0.852895328696876
Energy: 0.8564466081432904
Energy: 0.8492988323496147
Energy: 0.8495345485226925
Energy: 0.8397708593225218
Energy: 0.8498694429451512
Energy: 0.8496933897835239
Energy: 0.8842887992394985
Energy: 0.8376176650487608
Energy: 0.8445560248982817
Energy: 0.8637552374525725
Energy: 0.8335000319574839
Energy: 0.8348651342212025
Energy: 0.8711966195488572
Energy: 0.8420976681345727
Energy: 0.8421649412844862
Energy: 0.8596455890879039
Energy: 0.8406979606780639
Energy: 0.8478740729777072
Energy: 0.838255195005066
Energy: 0.8353577944404765
Energy: 0.8453960371906215
Energy: 0.8364675510775621
Energy: 0.8336024564076595
Energy: 0.8414608859017741
Energy: 0.8527868276733745
Energy: 0.8430507006174577
Energy: 0.8593003232452815
Energy: 0.83601402677653
Energy: 0.8605955701309463
Energy: 0.8434732314047769
Energy: 0.890585797621177
Energy: 0.8437834778191763
Energy: 0.811590207126857
Energy: 0.8376632855813413
Energy: 0.8282583254578184
Energy: 0.812352089897974
Energy: 0.8989735978748986
Energy: 0.8420332229952888
Energy: 0.843811878586335
Energy: 0.8451709961715966
Energy: 0.8407451853205116
Energy: 0.8439868397416336
Energy: 0.8581073559098928
Energy: 0.8369165554282613
Energy: 0.8372174234039472
Energy: 0.8333330506627836
Energy: 0.8383451847110884
Energy: 0.8369980708211179
Energy: 0.8707492570387378
Energy: 0.8457918398620391
Energy: 0.8511900634640875
Energy: 0.8335061267341569
Energy: 0.8377196899959751
Energy: 0.8483677261522516
Energy: 0.8951452054625124
Energy: 0.83964417657986
Energy: 0.8425046448981978
Energy: 0.8413183682051306
Energy: 0.8371267901433136
Energy: 0.8448201795725067
Energy: 0.8957789185521129
Energy: 0.8460603156706327
Energy: 0.8515018816065127
Energy: 0.8415172403550026
Energy: 0.8403258217904521
Energy: 0.8528323781502984
Energy: 0.8586038695265263
Energy: 0.8985361851379995
Energy: 0.8547642130445845
Energy: 0.8157270118827141
Energy: 0.8982100920420719
Energy: 0.8399585164000241
Energy: 0.933269713806418
Energy: 0.8365771849386512
Energy: 0.8357150205695779
Energy: 0.8525616963397188
Energy: 0.8369240448854567
Energy: 0.8510770248012859
Energy: 0.8954844924371086
Energy: 0.8426273416463069
Energy: 0.8449190457837713
Energy: 0.8339612637481328
Energy: 0.8390988546433679
Energy: 0.8481199158091877
Energy: 0.8837893486339116
Energy: 0.8424099472597381
Energy: 0.8465620283114291
Energy: 0.8370181913252723
Energy: 0.8379057636954257
Energy: 0.8482514359553119
Energy: 0.8536589981145494
Energy: 0.8361876351411203
Energy: 0.8365994143961999
Energy: 0.8541659143103949
Energy: 0.8370436381503408
Energy: 0.8480749918093888
Energy: 0.8727395137241523
Energy: 0.8418580402680043
Energy: 0.8423703856144036
Energy: 0.8563101987888768
Energy: 0.8358962796733896
Energy: 0.8423783671578491
Energy: 0.8679732025055192
Energy: 0.8379021374172515
Energy: 0.8440613511986742
Energy: 0.8576725459733942
Energy: 0.8350246392977786
Energy: 0.8547337862286803
Energy: 0.8801981752957824
Energy: 0.8393604138945647
Energy: 0.8429545241650412
Energy: 0.8575391422421068
Energy: 0.8364391386421074
Energy: 0.853544809822252
Energy: 0.8497760537532415
Energy: 0.8522222563516082
Energy: 0.849446911913453
Energy: 0.8400475130905307
Energy: 0.8345940980319305
Energy: 0.8474387997614711
Energy: 0.8388645924558078
Energy: 0.8546700648115241
Energy: 0.8513452097144032
Energy: 0.8368720162213713
Energy: 0.8435973840111836
Energy: 0.8495856709061727
Energy: 0.8568412337407634
Energy: 0.829965555170552
Energy: 0.831572063872043
Energy: 0.8256831891592369
Energy: 0.8190259737023368
Energy: 0.8408457981495061
Energy: 0.8961289057071161
Energy: 0.8270688780223253
Energy: 0.8412382340210653
Energy: 0.8413717615613412
Energy: 0.8194123881277573
Energy: 0.8486891709179614
Energy: 0.857145147214088
Energy: 0.8381364211524044
Energy: 0.8524741489902675
Energy: 0.8330453815155326
Energy: 0.8421633413304448
Energy: 0.845492952653507
Energy: 0.8590619671674206
Energy: 0.8316676269860288
Energy: 0.8457515009669416
Energy: 0.833779829062485
Energy: 0.8265559878762168
Energy: 0.8507376752750351
Energy: 0.8964482816367946
Energy: 0.8459477446354863
Energy: 0.8470360260510407
Energy: 0.8401863174320752
Energy: 0.8356099527620866
Energy: 0.848190830664912
Energy: 0.895298883572667
Energy: 0.8414595126151372
Energy: 0.842191877777534
Energy: 0.8341005820969554
Energy: 0.840093987482556
Energy: 0.8500346187594203
Energy: 0.8593886308048846
Energy: 0.8378840922478573
Energy: 0.8475625152824517
Energy: 0.8161069167694204
Energy: 0.8382830519862077
Energy: 0.8469364019045906

minimum gb energy = 0.811590207126857 eV
minimum distance =  2.32744865056297 Angstroms
sigma value = 33


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

Energy: 0.015446867408934901
Energy: 0.016195210984857086
Energy: 0.01597841447897493
Energy: 0.017193437685516982
Energy: 0.83925597519752
Energy: 0.0160033109889218
Energy: 0.016528126946077543
Energy: 0.1053253819602082
Energy: 0.10380321601216856
Energy: 0.10623302145138314
Energy: 0.10562634705766595
Energy: 0.10359315443798194
Energy: 1.1478543393432545
Energy: 0.8385226261451363
Energy: 0.8371326182115912
Energy: 0.8402441044321631
Energy: 0.8396705089907031
Energy: 0.8369102521297722
Energy: 0.4121372080685141
Energy: 0.1053253819602082
Energy: 0.10380321601261207
Energy: 0.10623302145138314
Energy: 0.10562634705766595
Energy: 0.10359315443798194

minimum gb energy = 0.015446867408934901 eV
minimum distance =  2.52169859978262 Angstroms
sigma value = 1