Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334740105136
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013296375547333962
Energy: 0.013661505217094425
Energy: 2.8756638131557315
Energy: 0.013661505217094425
Energy: 0.013661505217094425
Energy: 0.013816172465751534
Energy: 0.4531841176155651
Energy: 0.013816172465751534
Energy: 2.8756638131557315
Energy: 0.4531841176155651
Energy: 0.4530459663034257
Energy: 0.4531841176155651
Energy: 0.01366150521807483
Energy: 0.013816172465751534
Energy: 0.4531841176155651
Energy: 0.013816172465751534

minimum gb energy = 0.013296375547333962 eV
minimum distance =  2.46578140369732 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.0674245524005272
Energy: 0.670414656520154
Energy: 2.136521175713222
Energy: 0.6704146564944712
Energy: 1.1343145096632226
Energy: 0.6362696375026677
Energy: 0.6918716008960227
Energy: 0.6362696375014447
Energy: 1.3077231316811688
Energy: 0.691120819216014
Energy: 0.6666756418006554
Energy: 0.691120819217237
Energy: 1.0346938059634492
Energy: 0.6394512112164268
Energy: 0.6938008403049521
Energy: 0.6394512112164268
Energy: 1.0350431403691098
Energy: 0.6391087633882403
Energy: 1.0582970994327794
Energy: 0.6391087633882403
Energy: 1.1550083726762033
Energy: 0.6488386210591831
Energy: 0.6481565275857943
Energy: 0.6488386210591831
Energy: 0.840219827076699
Energy: 0.7208650535555285
Energy: 0.6480176743289211
Energy: 0.7208650535555285
Energy: 0.6394966677815177
Energy: 0.8624820036281962
Energy: 1.063046103309659
Energy: 0.8624820036269734
Energy: 0.8505606541135066
Energy: 0.6472296768248296
Energy: 1.030657078461196
Energy: 0.6472296768419514
Energy: 1.3269248865090753
Energy: 0.7560392029678783
Energy: 0.8428092409347825
Energy: 0.7560392029764391
Energy: 0.6657303025980907
Energy: 0.7116043833838044
Energy: 1.0294898574657116
Energy: 0.7116043833838044
Energy: 0.6656579854788268
Energy: 0.6659821911594767
Energy: 1.479316489338267
Energy: 0.6659821911594767
Energy: 0.8625313705502674
Energy: 0.6361013059760391
Energy: 1.0295320684167741
Energy: 0.6361013059772622
Energy: 0.6920243921268886
Energy: 0.6383733845995793
Energy: 1.0485802216137021
Energy: 0.6383733846044712
Energy: 0.6883509692793088
Energy: 0.6458693454583605
Energy: 1.1416920774975292
Energy: 0.6458693454595835
Energy: 0.6881637479153058
Energy: 0.6460013681063479
Energy: 1.1419680213507228
Energy: 0.6460013681063479
Energy: 0.6874203545947905
Energy: 0.6383952957804923
Energy: 1.067810269316581
Energy: 0.6383952957792692
Energy: 0.8625475332299528
Energy: 0.6361796739936
Energy: 1.0261179621401764
Energy: 0.6361796740412966
Energy: 0.6579873419355065
Energy: 0.6657601719253968
Energy: 1.5346716114456789
Energy: 0.6657601719241738
Energy: 0.6658950598054095
Energy: 0.7108787108842921
Energy: 0.8423227551636946
Energy: 0.7108787108842921
Energy: 1.1996958298866454
Energy: 0.6480819950611867
Energy: 0.8440310832081264
Energy: 0.6480819950599638
Energy: 0.8528091609516536
Energy: 0.6387538233525941
Energy: 1.030403555487525
Energy: 0.6387538233525941
Energy: 0.8594497876043634
Energy: 0.6453779477807978
Energy: 0.8570566973803365
Energy: 0.6453779477807978
Energy: 1.0442892348009112
Energy: 0.7218989559488217
Energy: 0.6482258885486276
Energy: 0.7218989559500447
Energy: 1.154961116712288
Energy: 0.6484873877058689
Energy: 0.6500612638858354
Energy: 0.6484873877070919
Energy: 1.0355410101150688
Energy: 0.6382664036394751
Energy: 1.066411216708981
Energy: 0.6382664036382522
Energy: 1.0335627258455045
Energy: 0.6390540437192237
Energy: 0.6908259001692091
Energy: 0.6390540437192237
Energy: 1.307219040176513
Energy: 0.6909305484899624
Energy: 0.6672196450865164
Energy: 0.6909305484887395
Energy: 1.1344621581148047
Energy: 0.636140038109242
Energy: 0.6922881792100267
Energy: 0.636140038108019
Energy: 1.0638635155599998
Energy: 0.7083614245901484
Energy: 0.6911597909209968
Energy: 0.7083614245913714
Energy: 1.144044019733334
Energy: 0.6361615665036396
Energy: 0.6971150820125067
Energy: 0.6361615665048626
Energy: 1.1547887318805
Energy: 0.6636526392260754
Energy: 0.6673266265270338
Energy: 0.6636526392260754
Energy: 1.0348664008203794
Energy: 0.6393811493775285
Energy: 0.7312687240850528
Energy: 0.6393811493763055

minimum gb energy = 0.6361013059760391 eV
minimum distance =  2.35055486522358 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.193788485114334
Energy: 0.6683951553900818
Energy: 2.2385543449973007
Energy: 0.668395155384504
Energy: 1.0662650161921103
Energy: 0.7288531275840523
Energy: 0.7669446517256305
Energy: 0.7288531275854467
Energy: 1.100170530937571
Energy: 0.7042298316847788
Energy: 0.7042624079090143
Energy: 0.7042298316847788
Energy: 0.64570426973609
Energy: 0.6814909449221448
Energy: 0.7633960179058445
Energy: 0.6814909449221448
Energy: 0.6455053003183236
Energy: 0.6817053679311177
Energy: 1.1769857638925316
Energy: 0.6817053679311177
Energy: 1.0993283948484764
Energy: 0.6814250598309214
Energy: 0.6811999217628826
Energy: 0.6814250598323158
Energy: 0.7041915560109732
Energy: 0.7291719745308402
Energy: 0.6809477242159664
Energy: 0.7291719745308402
Energy: 0.6810310413706355
Energy: 0.6814533098915764
Energy: 1.1763779149927673
Energy: 0.6814533098915764
Energy: 0.7042806656363975
Energy: 0.7277930274838187
Energy: 1.1016524102061525
Energy: 0.7277930274838187
Energy: 1.4553848703783792
Energy: 0.6460595748327468
Energy: 0.6458876217528292
Energy: 0.6460595748327468
Energy: 0.6830679465612293
Energy: 0.7666329850980087
Energy: 1.0996320051080886
Energy: 0.7666329850980087
Energy: 0.6817583122772823
Energy: 0.6810882337115619
Energy: 1.4234620166044594
Energy: 0.6810882337115619
Energy: 0.7635084938029736
Energy: 0.6454501958828833
Energy: 1.066125612105627
Energy: 0.6454501958828833
Energy: 0.7635084938029736
Energy: 0.6454433621905403
Energy: 1.0653510877973775
Energy: 0.6454433621905403
Energy: 0.6817652747266196
Energy: 0.6810154622742016
Energy: 1.4194079909023427
Energy: 0.6810154622742016
Energy: 0.6828709553592549
Energy: 0.7666478561774525
Energy: 1.100058096789074
Energy: 0.7666478561788469
Energy: 1.4553848703783792
Energy: 0.6465454170803618
Energy: 0.6458323629701026
Energy: 0.6465454170803618
Energy: 0.7040824348617835
Energy: 0.728070896698724
Energy: 1.1015866180664242
Energy: 0.7280708967001186
Energy: 0.6808845122905932
Energy: 0.6811421061329683
Energy: 1.1763779149927673
Energy: 0.6811421061329683
Energy: 0.7039704904380326
Energy: 0.7292336264016437
Energy: 0.6809686718056293
Energy: 0.7292336264016437
Energy: 1.0993458263808684
Energy: 0.6819677970942686
Energy: 0.6808544746254436
Energy: 0.6819677970942686
Energy: 0.6456138373919034
Energy: 0.6824121312753294
Energy: 1.176985763893926
Energy: 0.6824121312753294
Energy: 0.6455019208721439
Energy: 0.6814557857182518
Energy: 0.7633960179044502
Energy: 0.6814557857182518
Energy: 1.0999504615286482
Energy: 0.7040752694617893
Energy: 0.7040615969841254
Energy: 0.7040752694617893
Energy: 1.066195809450252
Energy: 0.7285814738334081
Energy: 0.7669446517228419
Energy: 0.7285814738334081
Energy: 1.193788485114334
Energy: 0.668395155384504
Energy: 2.2385543449973007
Energy: 0.6683951553886874
Energy: 1.0662650161935048
Energy: 0.7288531275840523
Energy: 0.7669446517242363
Energy: 0.7288531275840523
Energy: 1.1001705309389653
Energy: 0.7042298316847788
Energy: 0.7042624079090143
Energy: 0.7042298316847788
Energy: 0.64570426973609
Energy: 0.6814909449221448
Energy: 0.7633960179058445
Energy: 0.6814909449221448

minimum gb energy = 0.6454433621905403 eV
minimum distance =  2.34549539540664 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.9947379338175664
Energy: 0.8273855617737123
Energy: 2.212368628115201
Energy: 0.8273855617737123
Energy: 1.167406835434895
Energy: 0.7179967167973337
Energy: 0.8048536938848089
Energy: 0.7179967167973337
Energy: 1.1908092382977253
Energy: 0.7470338384438336
Energy: 0.7579067047325929
Energy: 0.7470338384438336
Energy: 0.988521189328101
Energy: 0.7052409852464998
Energy: 0.8705039359488452
Energy: 0.7052409852464998
Energy: 0.9873953952091685
Energy: 0.7054836767003667
Energy: 0.9483792381958133
Energy: 0.7054836767019876
Energy: 1.1905401710323726
Energy: 0.7189312921332142
Energy: 0.7181351383598205
Energy: 0.7189312921315931
Energy: 0.7526378016244999
Energy: 0.705686978992289
Energy: 0.7183736918695299
Energy: 0.7056869789906681
Energy: 0.7267645273300156
Energy: 0.7526633060633554
Energy: 1.4878565411307803
Energy: 0.7526633060633554
Energy: 0.795635301184407
Energy: 0.8086813466862789
Energy: 0.9725888558588389
Energy: 0.8086813466878998
Energy: 0.7914523816215718
Energy: 0.6910352947179303
Energy: 1.0058944608121567
Energy: 0.6910352947179303
Energy: 0.7911746786375355
Energy: 0.80885190131138
Energy: 1.1761633042522375
Energy: 0.80885190131138
Energy: 0.8025792475481567
Energy: 0.7522180748439844
Energy: 1.1689991397282167
Energy: 0.7522180748439844
Energy: 0.8145589531284884
Energy: 0.69107846354432
Energy: 1.0059846477230536
Energy: 0.69107846354432
Energy: 0.7949637493381484
Energy: 0.8089488648946109
Energy: 0.9745889700470725
Energy: 0.80894886489299
Energy: 0.7522832654120348
Energy: 0.7521633108731361
Energy: 1.4516570914428553
Energy: 0.7521633108715151
Energy: 0.7523286114402247
Energy: 0.7051649442617641
Energy: 0.7178502552118288
Energy: 0.7051649442617641
Energy: 1.4501004203547978
Energy: 0.7182797894923354
Energy: 0.7177695482689903
Energy: 0.7182797894923354
Energy: 0.9875579160314897
Energy: 0.7063329003721356
Energy: 0.9800890629540451
Energy: 0.7063329003721356
Energy: 0.9879644331339362
Energy: 0.7052133919086769
Energy: 0.873741803995258
Energy: 0.7052133919070559
Energy: 0.9571657143837039
Energy: 0.7182413615516485
Energy: 0.746808275135837
Energy: 0.7182413615516485
Energy: 1.1658269679252151
Energy: 0.7180023497464455
Energy: 0.7380882913819301
Energy: 0.7180023497464455
Energy: 0.9923601719603583
Energy: 0.6918366293619015
Energy: 0.8056981120254826
Energy: 0.6918366293619015
Energy: 1.1683643118098082
Energy: 0.792281715883341
Energy: 0.8049040250765456
Energy: 0.7922817158817201
Energy: 1.1912497709090242
Energy: 0.7472270575329376
Energy: 0.7581074882074367
Energy: 0.7472270575329376
Energy: 0.9873768718213624
Energy: 0.7055024659657263
Energy: 0.7387859404057732
Energy: 0.7055024659657263

minimum gb energy = 0.6910352947179303 eV
minimum distance =  2.35744330234247 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.711120504557266
Energy: 0.7093466457436155
Energy: 2.4070520563425775
Energy: 0.7093466457430442
Energy: 0.7100437966615009
Energy: 0.7800069021396224
Energy: 0.7802992869432501
Energy: 0.7800069021394247
Energy: 0.7800691079049338
Energy: 0.8351002538394103
Energy: 0.900084772736829
Energy: 0.8351002538394103
Energy: 0.7798676048488897
Energy: 0.7800453973577163
Energy: 0.7807464116008762
Energy: 0.7800453973573207
Energy: 0.7806421434267151
Energy: 0.780107916324156
Energy: 0.77998361826481
Energy: 0.7801079163235847
Energy: 1.4688273060445625
Energy: 0.780324065015571
Energy: 0.7799571252904954
Energy: 0.7803240650153732
Energy: 0.7800939079946687
Energy: 0.7802990185750267
Energy: 0.7807590270597824
Energy: 0.7802990185750267
Energy: 0.7801898155187272
Energy: 0.780298484767615
Energy: 1.3053934161327088
Energy: 0.780298484767615
Energy: 0.9879070671230041
Energy: 0.780176629887019
Energy: 0.7094781961774669
Energy: 0.7801766298877881
Energy: 0.9873116297098431
Energy: 0.7094090795186518
Energy: 0.7095347162045926
Energy: 0.7094090795186518
Energy: 0.7808722602599673
Energy: 0.8970646711673589
Energy: 1.30681638378875
Energy: 0.8970646711673589
Energy: 0.7805117663239372
Energy: 0.7092340731460814
Energy: 0.8648330450435979
Energy: 0.7092340731474438
Energy: 0.987015426054899
Energy: 0.7803066078668247
Energy: 0.7804510332903795
Energy: 0.7803066078677915
Energy: 0.8650667759983983
Energy: 0.8209692926844901
Energy: 0.8649726739799314
Energy: 0.8209692926844901
Energy: 0.7804426326472512
Energy: 0.7803468953154402
Energy: 0.9870154260547012
Energy: 0.780346895315638
Energy: 0.8651422025744717
Energy: 0.7093155261888838
Energy: 0.7805921669455651
Energy: 0.7093155261882905
Energy: 1.3068050409898293
Energy: 0.897185464359893
Energy: 0.7808876043571552
Energy: 0.8971854643593216
Energy: 0.7093286052256426
Energy: 0.7093795046753804
Energy: 0.9873116297096454
Energy: 0.7093795046755782
Energy: 0.709655875555351
Energy: 0.7802759726724603
Energy: 0.9879070671228064
Energy: 0.7802759726732292
Energy: 1.3053389071940862
Energy: 0.780126328392068
Energy: 0.7804298809690378
Energy: 0.7801263283922437
Energy: 0.7801730217863029
Energy: 0.7804623923338155
Energy: 0.7801146162569211
Energy: 0.7804623923338155

minimum gb energy = 0.7092340731460814 eV
minimum distance =  2.33971901416216 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.8658401451582264
Energy: 1.0216075338293578
Energy: 2.2800498342254674
Energy: 1.0216075338293578
Energy: 1.14245817118354
Energy: 0.9438500183860943
Energy: 0.924219175406342
Energy: 0.9438500183856323
Energy: 1.0301410130372837
Energy: 0.8904536453742627
Energy: 0.9191978910344052
Energy: 0.8904536453737736
Energy: 0.8478975309268827
Energy: 0.9438790600509231
Energy: 0.9141774548751552
Energy: 0.9438790599873331
Energy: 0.9909953182453093
Energy: 0.9439324348214063
Energy: 1.1709115030350308
Energy: 0.9439324348221401
Energy: 1.239575924183889
Energy: 0.8823619495534872
Energy: 0.8826674393551519
Energy: 0.8823619495532427
Energy: 1.0090043803105997
Energy: 0.9444130479522895
Energy: 0.8820010047965918
Energy: 0.9444130479530234
Energy: 0.9914804341093881
Energy: 0.9817355698553821
Energy: 1.170652300677423
Energy: 0.9817355698549202
Energy: 1.0109747554286237
Energy: 0.8829192879339245
Energy: 0.8845806856322903
Energy: 0.8829192879339245
Energy: 1.0109144393462202
Energy: 0.8837541899249188
Energy: 0.8824179520615458
Energy: 0.8837541899246742
Energy: 0.9940089028712297
Energy: 0.9448825910065557
Energy: 1.1906275241048863
Energy: 0.9448825910051153
Energy: 0.990464326135468
Energy: 0.8824250201509387
Energy: 0.8758133664134514
Energy: 0.8824250201480852
Energy: 1.113822358108609
Energy: 0.8751737836077985
Energy: 0.8956592128460863
Energy: 0.8751737836080431
Energy: 1.1531698477912977
Energy: 0.8830189219824445
Energy: 1.0859801172167753
Energy: 0.8830189219824445
Energy: 1.1535093454006355
Energy: 0.8826508883955181
Energy: 1.0847004149101171
Energy: 0.8826508883928821
Energy: 1.1276466456714351
Energy: 0.8774898728001269
Energy: 0.8956918023173018
Energy: 0.8774898727998823
Energy: 0.991461735275902
Energy: 0.8827979399952876
Energy: 0.8962967520158307
Energy: 0.8827979399947984

minimum gb energy = 0.8478975309268827 eV
minimum distance =  2.31841799509591 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.283927677052731
Energy: 0.9118964898191664
Energy: 2.191317291301554
Energy: 0.9118964897880156
Energy: 1.2400571806799308
Energy: 1.0241152670141116
Energy: 1.0149902323551927
Energy: 1.0241152670141116
Energy: 1.1197538402135163
Energy: 0.9862742491323622
Energy: 0.9648998882254952
Energy: 0.9862742491323622
Energy: 0.9556763043059519
Energy: 0.9510900163752796
Energy: 1.0148527745241382
Energy: 0.9510900163752796
Energy: 0.9878233589421169
Energy: 0.9969735633519098
Energy: 1.1080893960127
Energy: 0.9969735633532641
Energy: 1.1576932943881142
Energy: 0.9216158700255944
Energy: 0.9662860529626983
Energy: 0.9216158700242401
Energy: 1.0815672227787465
Energy: 0.9540743463628665
Energy: 1.0814866923749196
Energy: 0.9540743463642208
Energy: 0.9992843995068768
Energy: 0.9504646866749218
Energy: 1.2109817574722812
Energy: 0.9504646866749218
Energy: 0.9804188702620812
Energy: 1.0045565019229141
Energy: 0.9370466366886534
Energy: 1.0045565019229141
Energy: 1.1379586716959538
Energy: 1.0304075367034429
Energy: 1.0220247882384519
Energy: 1.0304075367020884
Energy: 0.9815908788062676
Energy: 0.9785110564517386
Energy: 1.1227572529316314
Energy: 0.9785110564517386
Energy: 1.0032278000926595
Energy: 1.0074755510353377
Energy: 1.0217527100731982
Energy: 1.0074755510353377
Energy: 1.168472545764415
Energy: 1.0226097283385573
Energy: 1.0155120856152922
Energy: 1.022609728337203
Energy: 0.978294036360532
Energy: 0.9798288342182442
Energy: 1.0269551337557707
Energy: 0.9798288342195987
Energy: 1.0032086527027448
Energy: 1.0684615730056617
Energy: 1.1869814907011256
Energy: 1.0684615730056617
Energy: 1.2055558467306842
Energy: 1.0078643265435494
Energy: 0.9292842637133549
Energy: 1.007864326542195
Energy: 0.9829565656875753
Energy: 1.0046496294043554
Energy: 1.0218331820868094
Energy: 1.004649629403001
Energy: 0.9779643233577414
Energy: 1.0348825213355208
Energy: 1.0909767636838201
Energy: 1.0348825213355208
Energy: 1.0495449302280575
Energy: 1.0294010486102543
Energy: 1.0774918743601598
Energy: 1.029401048611609
Energy: 1.1521593037988245
Energy: 1.028298466534121
Energy: 1.0784702131884396
Energy: 1.028298466534121
Energy: 0.945710479269307
Energy: 1.0417792952337435
Energy: 1.164769087922505
Energy: 1.0417792952337435
Energy: 0.9639190662655311
Energy: 1.0042483382579768
Energy: 1.007615375899024
Energy: 1.0042483382579768
Energy: 1.1383068857761964
Energy: 0.984776534038979
Energy: 1.0061269822819436
Energy: 0.984776534038979
Energy: 1.0667509498645216
Energy: 0.9203247146577236
Energy: 1.1163396565261203
Energy: 0.9203247146604323
Energy: 1.0666184173611641
Energy: 0.9215676462942664
Energy: 1.1012024509185316
Energy: 0.9215676462942664
Energy: 1.1342958686361697
Energy: 0.9845300166378279
Energy: 1.0080080626331884
Energy: 0.9845300166364735
Energy: 0.9662180133444741
Energy: 1.0054414898033681
Energy: 1.0108703416834242
Energy: 1.0054414898020136
Energy: 0.9537877713944262
Energy: 0.9515544862523465
Energy: 1.1728603853325188
Energy: 0.9515544862523465
Energy: 1.1193708141217633
Energy: 1.0280134242653831
Energy: 1.0797146638460735
Energy: 1.0280134242667374
Energy: 1.058050031039487
Energy: 1.0304141330456256
Energy: 0.9648231606448311
Energy: 1.0304141330469798

minimum gb energy = 0.9118964897880156 eV
minimum distance =  2.31060121357703 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0384831843016424
Energy: 1.0391435256645356
Energy: 2.4406105635124775
Energy: 1.0391435256657757
Energy: 1.0917553537439324
Energy: 1.0386078615465317
Energy: 1.0382263984532634
Energy: 1.0386078615462129
Energy: 1.0392172558056998
Energy: 1.1428928762527173
Energy: 1.1102894386823354
Energy: 1.1428928762530361
Energy: 1.1104147054201925
Energy: 1.1423721519034995
Energy: 1.0394333027232832
Energy: 1.1423721519038186
Energy: 1.0380501333285819
Energy: 1.0389274794179661
Energy: 1.0916841406098579
Energy: 1.0389274794176473
Energy: 1.4374104773866174
Energy: 1.0391435256636143
Energy: 1.0384831843019613
Energy: 1.0391435256639332
Energy: 1.0382263984535824
Energy: 1.0386078615468506
Energy: 1.0917553537442513
Energy: 1.0386078615468506
Energy: 1.1102894386826543
Energy: 1.1428928762527173
Energy: 1.039217155796355
Energy: 1.1428928762530361
Energy: 1.0394442171530032
Energy: 1.1423721519038186
Energy: 1.1104147054208302
Energy: 1.1423721519038186
Energy: 1.0916841406101767
Energy: 1.0389274794176473
Energy: 1.0380501333276253
Energy: 1.0389274794176473
Energy: 1.038483184301359
Energy: 1.0391435256654924
Energy: 1.4382444135276022
Energy: 1.0391435256648547
Energy: 1.0917553537442513
Energy: 1.038607861547488
Energy: 1.0382263984517044
Energy: 1.0386078615459293
Energy: 1.039220858172587
Energy: 1.1428928762527173
Energy: 1.1102894386826543
Energy: 1.1428928762527173

minimum gb energy = 1.0380501333276253 eV
minimum distance =  2.33193796964335 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.1211464988541648
Energy: 1.0871989127075772
Energy: 2.055968175124622
Energy: 1.0871989127064234
Energy: 1.2273893192829948
Energy: 1.0507466564752197
Energy: 1.1791125022939717
Energy: 1.0507466564717576
Energy: 1.1106269812849632
Energy: 1.0696403900280866
Energy: 1.067162111456075
Energy: 1.0696403900269325
Energy: 1.0695759712006552
Energy: 1.1078213761064508
Energy: 1.1632286340765015
Energy: 1.1078213761064508
Energy: 1.1587119595933462
Energy: 1.051764158803978
Energy: 1.216376694625515
Energy: 1.051764158803978
Energy: 1.329050672559865
Energy: 1.1686880939310018
Energy: 1.1238219759053585
Energy: 1.1686880939310018
Energy: 1.1671104745791974
Energy: 1.1368156124912283
Energy: 1.2322212531107033
Energy: 1.136815612493484
Energy: 1.0485686932213607
Energy: 1.0947589172888794
Energy: 1.1071347136030156
Energy: 1.0947589172888794
Energy: 1.1394197379834983
Energy: 1.0748746335971493
Energy: 1.1115138697360871
Energy: 1.0748746335971493
Energy: 1.1535436515690414
Energy: 1.0694840470164915
Energy: 1.1562011699352106
Energy: 1.0694840470153373
Energy: 1.0562961055699833
Energy: 1.183638144366956
Energy: 1.3190380981670367
Energy: 1.183638144365802
Energy: 1.2939761333255122
Energy: 1.144470507773054
Energy: 1.1215151758859767
Energy: 1.1444705077719002
Energy: 1.1233296866365639
Energy: 1.0682746578877527
Energy: 1.0691245248165937
Energy: 1.0682746578831366
Energy: 1.1411332337130804
Energy: 1.105755085601128
Energy: 1.180761543224565
Energy: 1.105755085601128
Energy: 1.1249557482490722
Energy: 1.0935905979173817
Energy: 1.0928207670596002
Energy: 1.0935905979150737
Energy: 1.326068041442358
Energy: 1.07103956320423
Energy: 1.0815962952742935
Energy: 1.07103956320423
Energy: 1.1377909944236495
Energy: 1.0700174067612807
Energy: 1.3168956262046565
Energy: 1.0700174067624346
Energy: 1.0590519358403205
Energy: 1.0683574065159105
Energy: 1.154523464122
Energy: 1.0683574065147563
Energy: 1.262586491215013
Energy: 1.0927367136161785
Energy: 1.1056480232609933
Energy: 1.0927367136150246
Energy: 1.116662991001378
Energy: 1.0680604393465327
Energy: 1.1116544441690057
Energy: 1.0680604393465327
Energy: 1.058137286292161
Energy: 1.0928113427374337
Energy: 1.3163010253010512
Energy: 1.0928113427374337
Energy: 1.2419541300230001
Energy: 1.0514459131773986
Energy: 1.1504303642083638
Energy: 1.0514459131785525
Energy: 1.2206910367057924
Energy: 1.0575599203643706
Energy: 1.1213744370046677
Energy: 1.0575599203850907
Energy: 1.1159705952273713
Energy: 1.1029957484321413
Energy: 1.289686273305713
Energy: 1.1029957484321413
Energy: 1.0849379685767224
Energy: 1.0941080256133577
Energy: 1.0879797364418609
Energy: 1.0941080256122038
Energy: 1.2494880040620315
Energy: 1.125046458469306
Energy: 1.0852339752512827
Energy: 1.125046458468152
Energy: 1.2259185101171826
Energy: 1.0408063859772163
Energy: 1.3052480977879408
Energy: 1.0408063859772163
Energy: 1.1176920361526184
Energy: 1.0418380776442224
Energy: 1.2999770828885127
Energy: 1.0418380776442224
Energy: 1.2801743182399004
Energy: 1.1235081334351407
Energy: 1.0873265922579054
Energy: 1.1235081334362949
Energy: 1.0726647721335698
Energy: 1.0940419226003115
Energy: 1.0854914426146078
Energy: 1.0940419226014657
Energy: 1.1136947258298318
Energy: 1.105281241891125
Energy: 1.3111557818198296
Energy: 1.105281241891125
Energy: 1.2209906702234314
Energy: 1.0519326320391036
Energy: 1.123798710947625
Energy: 1.0519326320379496
Energy: 1.32589696577452
Energy: 1.0515242695327847
Energy: 1.1458384480861918
Energy: 1.0515242695327847
Energy: 1.06733284816385
Energy: 1.092201026525838
Energy: 1.3161413248052274
Energy: 1.092201026525838
Energy: 1.1142863994044032
Energy: 1.071381110360985
Energy: 1.1040676990402134
Energy: 1.071381110359831

minimum gb energy = 1.0408063859772163 eV
minimum distance =  2.29575207198267 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.1304151395196749
Energy: 1.1450332137371972
Energy: 2.1030478611828003
Energy: 1.1450332137373636
Energy: 1.1144500425102382
Energy: 1.1529331332582378
Energy: 1.1693288260205519
Energy: 1.1529331332587789
Energy: 1.1274588831094998
Energy: 1.123520330922332
Energy: 1.0440160826486284
Energy: 1.123520330922332
Energy: 1.1043892627709184
Energy: 1.0514492654798082
Energy: 1.1475352686907179
Energy: 1.0514492654798082
Energy: 1.2479358044442443
Energy: 1.0524011144811911
Energy: 1.1545771571000123
Energy: 1.0524011144808165
Energy: 1.407767959705674
Energy: 1.1878829146140748
Energy: 1.0196741099780178
Energy: 1.1878829146140748
Energy: 1.139752079958185
Energy: 1.1445557758734197
Energy: 1.1804640919108504
Energy: 1.1445557758732534
Energy: 1.051625116759237
Energy: 1.051981990938276
Energy: 1.2192590954712956
Energy: 1.0519819909380888
Energy: 1.240597882886128
Energy: 1.1246944995610395
Energy: 1.2059681269743399
Energy: 1.1246944995610395
Energy: 1.0910216802817962
Energy: 1.1232253260720675
Energy: 1.1717084364035852
Energy: 1.1232253260722547
Energy: 1.0708659732732277
Energy: 1.0520093858201245
Energy: 1.4104451406588971
Energy: 1.0520093858201245
Energy: 1.258538618851737
Energy: 1.0516468047383907
Energy: 1.1771508563876805
Energy: 1.0516468047383907
Energy: 1.2456412473928304
Energy: 1.0515989035588693
Energy: 1.0181752293853312
Energy: 1.0515989035581412
Energy: 1.1278760441405127
Energy: 1.113919509707572
Energy: 1.363035865948579
Energy: 1.1139195097072183
Energy: 1.0994227504977858
Energy: 1.051355683407434
Energy: 1.1465209428536924
Energy: 1.0513556834072466
Energy: 1.265412982902887
Energy: 1.1231392835194787
Energy: 1.0614029856089195
Energy: 1.1231392835194787
Energy: 1.1160459068987643
Energy: 1.0182394906174888
Energy: 1.3699555544829556
Energy: 1.0182394906173016
Energy: 1.1147448560703554
Energy: 1.018371782850831
Energy: 1.3623721339863701
Energy: 1.0183717828510184
Energy: 1.2830930569861194
Energy: 1.12330185632508
Energy: 1.1462008840614917
Energy: 1.12330185632508
Energy: 1.1284590819448272
Energy: 1.0511216229203253
Energy: 1.0612458312060205
Energy: 1.051121622920679
Energy: 1.1279222706075709
Energy: 1.114554773229186
Energy: 1.2780960970220179
Energy: 1.1145547732293732
Energy: 1.245056282845765
Energy: 1.0508340766209696
Energy: 1.039451625915486
Energy: 1.0508340766215312

minimum gb energy = 1.0181752293853312 eV
minimum distance =  2.29874263701985 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.179221398147853
Energy: 1.1601478636567377
Energy: 2.020662939953905
Energy: 1.1601478636567377
Energy: 1.1434475820775567
Energy: 1.0741329617802724
Energy: 1.1431723547438835
Energy: 1.0741329617815671
Energy: 1.1448032229365437
Energy: 1.0732112573520969
Energy: 1.0749554084307174
Energy: 1.0732112573520969
Energy: 1.1367268484288713
Energy: 1.0137738939791936
Energy: 1.1244924529628415
Energy: 1.0137738939804881
Energy: 1.2234703553263533
Energy: 1.073343309064211
Energy: 1.012685664544497
Energy: 1.073343309064211
Energy: 1.4517200986791154
Energy: 1.0139100929889473
Energy: 1.015631444869746
Energy: 1.013910092994126
Energy: 1.0146423852622835
Energy: 1.1289581513100706
Energy: 1.2466283642944387
Energy: 1.1289581513100706
Energy: 1.0158857637324623
Energy: 1.0140405233755847
Energy: 1.2228765779468347
Energy: 1.0140405233755847
Energy: 1.211761294854311
Energy: 1.0753801072281848
Energy: 1.1447380997024523
Energy: 1.0753801072294797
Energy: 1.1241216049564966
Energy: 1.0143931971567846
Energy: 1.1375757538883373
Energy: 1.0143931971580793
Energy: 1.1269540737323898
Energy: 1.074870913749824
Energy: 1.2224840554433356
Energy: 1.0748709137472345
Energy: 1.3900060650843291
Energy: 1.0143223318833166
Energy: 1.1430134701272736
Energy: 1.0143223318846113
Energy: 1.3892471168432727
Energy: 1.014244990954182
Energy: 1.142638961368165
Energy: 1.014244990954182
Energy: 1.1305893366854496
Energy: 1.0780546007706626
Energy: 1.2975226720644346
Energy: 1.0780546007719574
Energy: 1.1273483011522265
Energy: 1.015141466260484
Energy: 1.1316031077904736
Energy: 1.0151414662630736
Energy: 1.2129501617098637
Energy: 1.1850068208047568
Energy: 1.1426003744712128
Energy: 1.185006820795694
Energy: 1.0132001000249145
Energy: 1.0148104119531662
Energy: 1.2230420740947665
Energy: 1.0148104119557557
Energy: 1.0142098472974306
Energy: 1.0747013350216987
Energy: 1.291798988771618
Energy: 1.0747013350204038
Energy: 1.451412038665376
Energy: 1.014725902338161
Energy: 1.0154602523284695
Energy: 1.0147259023368664
Energy: 1.2230084315789598
Energy: 1.0745409183581083
Energy: 1.0134860977855369
Energy: 1.074540918359403
Energy: 1.1414405775627254
Energy: 1.1416257339964235
Energy: 1.125512935765122
Energy: 1.1416257339951292
Energy: 1.1425334579184399
Energy: 1.074323602919802
Energy: 1.077531485915438
Energy: 1.0743236029133578
Energy: 1.1711070399345405
Energy: 1.1384279727869209
Energy: 1.1256108833761331
Energy: 1.1384279727869209
Energy: 1.1479747641025269
Energy: 1.1562718540549186
Energy: 1.3891171003318095
Energy: 1.1562718540549186
Energy: 1.1491182474309158
Energy: 1.01319627029946
Energy: 1.1412572897756168
Energy: 1.0131962702981652
Energy: 1.2224659242139022
Energy: 1.0740709204435244
Energy: 1.1024608131950666
Energy: 1.0740709204435244
Energy: 1.1341919121634934
Energy: 1.0134357382347485
Energy: 1.1242350235356786
Energy: 1.0134357382360433
Energy: 1.2234396701361507
Energy: 1.0742733089600227
Energy: 1.2137181794926104
Energy: 1.0742733089600227
Energy: 1.2257299425890744
Energy: 1.0149887909705129
Energy: 1.0129328675989295
Energy: 1.014988790969218
Energy: 1.248822264498744
Energy: 1.1723647436375861
Energy: 1.2474113333115513
Energy: 1.1723647436375861
Energy: 1.0127687469177447
Energy: 1.013170410645346
Energy: 1.2257299426408326
Energy: 1.013170410645346

minimum gb energy = 1.012685664544497 eV
minimum distance =  2.31155972197507 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.8842141262613581
Energy: 1.12742415456456
Energy: 2.0161020291249305
Energy: 1.12742415456456
Energy: 1.1750447445811052
Energy: 0.9982487051670789
Energy: 0.9958688206153501
Energy: 0.998248705166653
Energy: 1.3227919869097853
Energy: 0.9602133201434674
Energy: 0.9609905529838505
Energy: 0.9602133201434674
Energy: 1.238756355840842
Energy: 1.0603095328039736
Energy: 0.9603941572500637
Energy: 1.0603095328039736
Energy: 1.2084170750943106
Energy: 1.0594279447819959
Energy: 0.9609950544162984
Energy: 1.059427944782873
Energy: 1.3218224585893807
Energy: 0.960693711982632
Energy: 0.9605481878931842
Energy: 0.960693711982632
Energy: 1.1771417957470203
Energy: 0.9604828676387283
Energy: 1.4858639392786763
Energy: 0.9604828676391793
Energy: 0.8830304277191943
Energy: 0.9607618230071256
Energy: 1.4870690835033549
Energy: 0.9607618230071256
Energy: 1.217017508147013
Energy: 0.9974091387129945
Energy: 0.9967229874273104
Energy: 0.9974091387125434

minimum gb energy = 0.8830304277191943 eV
minimum distance =  2.34608280050404 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.0144473957169662
Energy: 1.0648297112566198
Energy: 1.71809181078738
Energy: 1.0648297112566198
Energy: 1.153303586155178
Energy: 1.06645134460249
Energy: 1.052900251595165
Energy: 1.06645134460249
Energy: 1.01346904245101
Energy: 1.1123148145087611
Energy: 0.9782219699137185
Energy: 1.112314814507538
Energy: 1.0134031266521486
Energy: 0.9930907106212666
Energy: 1.0123229848427002
Energy: 0.9930907106200436
Energy: 0.9446555070332423
Energy: 1.1058022024820806
Energy: 0.9618413981880654
Energy: 1.1058022024820806
Energy: 1.063377027053247
Energy: 1.0808949240251282
Energy: 0.9660147513565738
Energy: 1.0808949240251282
Energy: 1.0096619226410628
Energy: 1.1024864607563736
Energy: 1.1047908673554296
Energy: 1.1024864607551506
Energy: 1.0096721503521384
Energy: 1.1026112876892455
Energy: 1.2131139992447242
Energy: 1.1026112876892455
Energy: 1.3286162218753284
Energy: 0.946310455966246
Energy: 1.0011795734667894
Energy: 0.946310455966246
Energy: 1.2123229027667164
Energy: 0.9457995597111334
Energy: 1.0013189349211613
Energy: 0.9457995597111334
Energy: 0.9923866002520353
Energy: 1.0067318392015365
Energy: 1.0339150293253307
Energy: 1.0067318392015365
Energy: 0.9904857215333946
Energy: 1.0998285941742671
Energy: 0.9757238842413488
Energy: 1.0998285941730441
Energy: 1.133530407724531
Energy: 1.035923712702051
Energy: 0.9740702161701126
Energy: 1.035923712703274
Energy: 0.9449536054494139
Energy: 1.103991463379652
Energy: 0.974278604206078
Energy: 1.103991463379652
Energy: 0.9844690778759917
Energy: 0.9628789940313128
Energy: 1.116448681585562
Energy: 0.9628789940300898
Energy: 1.2554587263911445
Energy: 1.0757761420155139
Energy: 1.01074356160136
Energy: 1.0757761420155139
Energy: 1.1302639976286997
Energy: 0.9911252315987574
Energy: 1.0950746601874088
Energy: 0.9911252315999804
Energy: 0.9683790670707239
Energy: 1.0887922206439031
Energy: 1.2178104239780607
Energy: 1.0887922206439031
Energy: 1.0391024297921987
Energy: 0.961648295891325
Energy: 1.0443214909477536
Energy: 0.961648295892548
Energy: 0.9932440214929392
Energy: 1.1124447083411397
Energy: 0.9630902218765929
Energy: 1.1124447083411397
Energy: 0.9943494625686529
Energy: 0.991646695504681
Energy: 1.0208200667535772
Energy: 0.991646695504681
Energy: 1.065471965101459
Energy: 1.1156356877709033
Energy: 0.975485468393627
Energy: 1.1156356877709033
Energy: 1.0132892412118668
Energy: 1.1077344974081518
Energy: 0.9706301222896258
Energy: 1.1077344974081518
Energy: 1.0677737183625853
Energy: 0.9400965770485679
Energy: 1.2663966120658485
Energy: 0.9400965770473448
Energy: 1.0749556241030502
Energy: 1.0126520462276454
Energy: 1.2748897192896207
Energy: 1.0126520462276454
Energy: 1.1316320760479697
Energy: 1.1428819805499595
Energy: 0.9763345927977438
Energy: 1.1428819805511823
Energy: 1.0406104875395938
Energy: 1.1081290414161415
Energy: 0.9706500904743489
Energy: 1.1081290414161415
Energy: 0.991317167493993
Energy: 1.0459810455565852
Energy: 1.1439969532527527
Energy: 1.0459810455553624
Energy: 0.9950729054690061
Energy: 1.1121457761429283
Energy: 0.9617731383444577
Energy: 1.1121457761441516
Energy: 1.1250296058836016
Energy: 1.0468630035670472
Energy: 1.0139953122928735
Energy: 1.0468630035658242
Energy: 0.9888275626042069
Energy: 1.08880461102877
Energy: 1.1015550307697712
Energy: 1.088804611029993
Energy: 1.0426142115084653
Energy: 0.9450914106885128
Energy: 1.2008279435027887
Energy: 0.9450914106885128
Energy: 1.3424790004223315
Energy: 1.0271004419507974
Energy: 1.0063565006645927
Energy: 1.0271004419520204

minimum gb energy = 0.9400965770473448 eV
minimum distance =  2.31288057836528 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.926462574757454
Energy: 1.0131757322574806
Energy: 1.805935596839183
Energy: 1.0131757322574806
Energy: 0.9048544942548989
Energy: 0.9884471360835713
Energy: 0.9731455083520378
Energy: 0.9884471360835713
Energy: 1.114632100597545
Energy: 1.0971718108644433
Energy: 1.0448087690728187
Energy: 1.0971718108644433
Energy: 0.9734364454503128
Energy: 1.0788424719606728
Energy: 0.9821739186824335
Energy: 1.0788424719606728
Energy: 0.9228745356636789
Energy: 0.9848450927831177
Energy: 0.9228153223901444
Energy: 0.9848450927831177
Energy: 0.9725854773019884
Energy: 0.9229024431561619
Energy: 0.9228373725603506
Energy: 0.9229024431561619
Energy: 0.9839471059843586
Energy: 1.0625594858275937
Energy: 1.114197635328508
Energy: 1.0625594858191387
Energy: 0.9833040608101087
Energy: 1.0639123511770077
Energy: 1.1142381568155786
Energy: 1.0639123511770077
Energy: 1.1879678026023464
Energy: 0.9844526763251866
Energy: 0.9132988250529419
Energy: 0.9844526763251866
Energy: 1.1879678026006555
Energy: 0.9842544364704049
Energy: 0.913305718600729
Energy: 0.9842544364704049
Energy: 0.9831313279351735
Energy: 1.063877186507489
Energy: 1.1142381568155786
Energy: 1.063877186507489
Energy: 0.984344545999091
Energy: 1.0625614439931677
Energy: 1.114197635328508
Energy: 1.0625614439931677
Energy: 0.972289572921659
Energy: 0.922925834499451
Energy: 0.9230462298453753
Energy: 0.922925834499451
Energy: 0.9228664835678974
Energy: 0.9849408198552003
Energy: 0.9228508685834885
Energy: 0.9849408198552003
Energy: 0.9744767194710924
Energy: 1.0787903595459452
Energy: 0.9823964799810859
Energy: 1.078790359547636
Energy: 1.114632100597545
Energy: 1.0971424101484726
Energy: 0.9819542099520968
Energy: 1.0971424101467817
Energy: 0.9049945307818531
Energy: 0.9885065534718889
Energy: 0.9731280879961102
Energy: 0.9885065534718889
Energy: 0.926462574757454
Energy: 1.0131757322574806
Energy: 1.414519207060322
Energy: 1.0131757322574806
Energy: 0.9048544942565898
Energy: 0.9884471360835713
Energy: 0.9731455083520378
Energy: 0.9884471360835713
Energy: 1.114632100597545
Energy: 1.0971718108644433
Energy: 1.0448087690728187
Energy: 1.0971718108644433
Energy: 0.9734364454503128
Energy: 1.0788424719606728
Energy: 0.9821739186841246
Energy: 1.0788424719606728
Energy: 0.9228745356636789
Energy: 0.9848450927831177
Energy: 0.9228153223901444
Energy: 0.9848450927831177
Energy: 0.9725854773019884
Energy: 0.9229024431561619
Energy: 0.9228373725603506
Energy: 0.9229024431561619
Energy: 0.9839471059843586
Energy: 1.0625594858140657
Energy: 1.114197635328508
Energy: 1.0625594858089928

minimum gb energy = 0.9048544942548989 eV
minimum distance =  2.30994411402893 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.0465400973838643
Energy: 1.016046366486058
Energy: 1.6198947706166806
Energy: 1.016046366486058
Energy: 1.0772909393761674
Energy: 0.9044263422421348
Energy: 1.0621428126110088
Energy: 0.9044263422483585
Energy: 0.9733521057545493
Energy: 1.0569426373599564
Energy: 0.9329146163887333
Energy: 1.0569426373599564
Energy: 0.9438448545417412
Energy: 0.9383988999675515
Energy: 1.0581983632602696
Energy: 0.9383988999665065
Energy: 0.9318622626320269
Energy: 1.0648020287178759
Energy: 0.9504648621956617
Energy: 1.0648020287178759
Energy: 0.9676375766401352
Energy: 0.945811197075571
Energy: 0.9517758504285609
Energy: 0.945811197075571
Energy: 0.92874097506923
Energy: 1.0743257256417447
Energy: 0.9466392508526882
Energy: 1.0743257256406997
Energy: 0.9291516646515682
Energy: 1.0901162807951257
Energy: 0.9645892233921657
Energy: 1.0901162807951257
Energy: 1.1070865550242295
Energy: 1.013163533552842
Energy: 1.030868336033829
Energy: 1.0131635335538869
Energy: 1.1759428540613652
Energy: 1.0138733081402644
Energy: 1.028265977830066
Energy: 1.0138733081413098
Energy: 0.9762712923705863
Energy: 1.0213463820450142
Energy: 1.15234479186341
Energy: 1.0213463820450142
Energy: 0.974685225501351
Energy: 1.0223176427184344
Energy: 0.963133664821994
Energy: 1.0223176427205247
Energy: 0.9766248266412768
Energy: 1.0193087622945802
Energy: 0.9434588554988603
Energy: 1.01930876229249
Energy: 0.9357358921637005
Energy: 1.0722826200855102
Energy: 0.9447256049962147
Energy: 1.0722826200855102
Energy: 0.9412320195857347
Energy: 1.006819127464863
Energy: 0.9471118532181548
Energy: 1.0068191274659082
Energy: 0.9431807244370422
Energy: 1.074379862796417
Energy: 0.9165866165600068
Energy: 1.0743798627974621
Energy: 1.039454858702915
Energy: 0.9161715295846127
Energy: 0.9799030427078945
Energy: 0.9161715295846127
Energy: 0.976357047064483
Energy: 1.0477776646706436
Energy: 1.1589055054425081
Energy: 1.0477776646716885
Energy: 1.046191817216946
Energy: 1.0582703902245918
Energy: 1.0434109412851889
Energy: 1.0582703902266821
Energy: 1.2518253356688132
Energy: 1.0164510465119647
Energy: 0.9887659405691567
Energy: 1.0164510465119647
Energy: 0.975711603961443
Energy: 1.136783663578363
Energy: 1.0798019297520425
Energy: 1.1367836635804534
Energy: 0.9363885029813312
Energy: 1.0558573499635904
Energy: 0.9539063306618061
Energy: 1.0558573499635904
Energy: 1.0314740637602926
Energy: 0.950899503025147
Energy: 0.9876120680935456
Energy: 0.9508995030261922
Energy: 0.926745764947102
Energy: 1.0741209197854185
Energy: 0.9144051881505354
Energy: 1.0741209197843733
Energy: 0.9319026536682924
Energy: 0.9674386918352449
Energy: 0.9978372385406583
Energy: 0.9674386918352449
Energy: 0.9753374265569515
Energy: 1.0547890874258359
Energy: 0.922954909251076
Energy: 1.0547890874258359
Energy: 0.9302241218945723
Energy: 1.0732357055450803
Energy: 0.9818031595317782
Energy: 1.0732357055450803
Energy: 1.0310064739236513
Energy: 0.8962751405842265
Energy: 1.2076900691191932
Energy: 0.8962751405842265
Energy: 1.0233359039336387
Energy: 0.897322168313906
Energy: 1.203965079624209
Energy: 0.8973221683107705
Energy: 0.9743654887853147
Energy: 1.0538567587513161
Energy: 0.9230823010176259
Energy: 1.053856758752361
Energy: 0.9763946565602647
Energy: 1.0723602804302474
Energy: 0.9819943630551596
Energy: 1.072360280429202
Energy: 0.92683204199068
Energy: 1.0915449816103624
Energy: 0.947629061858838
Energy: 1.0915449816103624
Energy: 0.9328872864005153
Energy: 1.083482954102081
Energy: 0.9137788786641955
Energy: 1.083482954102081
Energy: 1.00326609376273
Energy: 1.0120194874661164
Energy: 0.9540599597079612
Energy: 1.0120194874661164
Energy: 0.9342441179166419
Energy: 1.0551314669934966
Energy: 0.9632678489544615
Energy: 1.0551314669945415
Energy: 1.005139406729961
Energy: 0.9018729281287422
Energy: 1.0407095262756676
Energy: 0.9018729281287422
Energy: 1.2933240593158897
Energy: 1.0137179929281703
Energy: 0.9856806091605752
Energy: 1.0137179929281703
Energy: 1.0522138926191273
Energy: 1.0574671397593873
Energy: 1.0617203801348083
Energy: 1.057467139758342

minimum gb energy = 0.8962751405842265 eV
minimum distance =  2.29231566278746 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1167376708422283
Energy: 0.9596631906198624
Energy: 1.6808384785582806
Energy: 0.9596631906190235
Energy: 0.9554112843249809
Energy: 1.0929739327531827
Energy: 0.9547782674851394
Energy: 1.0929739327531827
Energy: 1.07609670919708
Energy: 0.9597023882618632
Energy: 0.8346684639417632
Energy: 0.9597023882607755
Energy: 0.8984397506085414
Energy: 0.9743798647944504
Energy: 1.0020523752138093
Energy: 0.9743798647949787
Energy: 0.8879459569202636
Energy: 1.0372254598739454
Energy: 0.92457703898731
Energy: 1.0372254598742252
Energy: 0.8868549874432088
Energy: 1.0473535751058358
Energy: 0.9250352609430671
Energy: 1.0473535751063643
Energy: 0.8887385177683466
Energy: 0.9598699249339763
Energy: 0.9242680453855029
Energy: 0.9598699249345045
Energy: 0.8878739695822894
Energy: 0.8875295409809152
Energy: 1.0466462091384139
Energy: 0.8875295409809152
Energy: 1.075385134055304
Energy: 1.0359088360940067
Energy: 0.8248202229831733
Energy: 1.0359088360942863
Energy: 0.8880183865991494
Energy: 1.0363700815344206
Energy: 0.8434595530443164
Energy: 1.0363700815344206
Energy: 0.9459543389211564
Energy: 0.9047178280336702
Energy: 1.0466076510467994
Energy: 0.9047178280333906
Energy: 0.9478260358919773
Energy: 0.9603972872942277
Energy: 1.0475729119084611
Energy: 0.9603972872947869
Energy: 1.075523052032899
Energy: 1.0359149421862706
Energy: 0.8247077847569485
Energy: 1.035914942186022
Energy: 1.075827514976039
Energy: 1.0345111025866267
Energy: 0.8241918519854481
Energy: 1.0345111025866267
Energy: 0.8876662281975803
Energy: 0.9732577726325768
Energy: 1.04643482440375
Energy: 0.9732577726331052

minimum gb energy = 0.8241918519854481 eV
minimum distance =  2.3207422775241 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.87561070510402
Energy: 0.9407800196945166
Energy: 1.5030150043903536
Energy: 0.9407800196933703
Energy: 0.9331504256612663
Energy: 0.9730016509287691
Energy: 0.8499641213628158
Energy: 0.9730016509299153
Energy: 0.992897683918832
Energy: 0.9397486752812253
Energy: 0.9769529128889892
Energy: 0.9397486752823714
Energy: 0.888386523417929
Energy: 0.9212794510438187
Energy: 0.8500778081834114
Energy: 0.9212794510438187
Energy: 0.8200848450633602
Energy: 0.9773187600351897
Energy: 0.9145285025175621
Energy: 0.9773187600340436
Energy: 0.9030681517502746
Energy: 0.9475998934904623
Energy: 0.8686226650776278
Energy: 0.9475998934916086
Energy: 0.8492504868026838
Energy: 0.9398271848725848
Energy: 0.8540209666337523
Energy: 0.9398271848737312
Energy: 0.870239403487243
Energy: 0.8689958907649693
Energy: 0.8698711502723943
Energy: 0.8689958907649693
Energy: 0.907725594050238
Energy: 0.9765736315066305
Energy: 0.8148240552277783
Energy: 0.9765736315066305
Energy: 0.9148558613157144
Energy: 0.9767370194748203
Energy: 0.8872860933609896
Energy: 0.976737019473674
Energy: 0.8549147970690091
Energy: 0.9395706331053981
Energy: 0.9872665559741652
Energy: 0.9395706331053981
Energy: 0.8504667491086734
Energy: 0.9098174566272633
Energy: 0.8501194362235139
Energy: 0.9098174566261171
Energy: 0.9359638731662523
Energy: 0.8833861112580588
Energy: 0.8615895606304227
Energy: 0.8833861112580588
Energy: 0.9188973976451813
Energy: 0.8820326331347372
Energy: 0.8893428524346765
Energy: 0.8820326331347372
Energy: 0.854991504451853
Energy: 0.939332571750883
Energy: 0.9851417918579725
Energy: 0.939332571750883
Energy: 0.8481071024992473
Energy: 0.938471086646416
Energy: 0.992176526385767
Energy: 0.9384710866452698
Energy: 0.9268964478600562
Energy: 0.9765208559352045
Energy: 0.8151385089923989
Energy: 0.9765208559352045
Energy: 0.9136465066733979
Energy: 0.9755481677986565
Energy: 0.8862124347369214
Energy: 0.9755481677998028
Energy: 0.8492576736336813
Energy: 0.94191536250356
Energy: 0.8554085125912769
Energy: 0.9419153625047063
Energy: 0.8554193427130196
Energy: 0.9421060836843607
Energy: 0.8492742728969912
Energy: 0.9421060836843607
Energy: 0.8859811680169515
Energy: 0.9756488643295232
Energy: 0.9145577211016983
Energy: 0.9756488643295232
Energy: 0.8151310140308076
Energy: 0.97648276448333
Energy: 0.92689644785891
Energy: 0.9764827644844761
Energy: 0.9921765263880594
Energy: 0.9384099699226315
Energy: 0.8480450034489632
Energy: 0.9384099699226315
Energy: 0.9851417918568263
Energy: 0.9396250254891468
Energy: 0.8549164197897319
Energy: 0.9396250254891468
Energy: 0.890023680652137
Energy: 0.8822407722407235
Energy: 0.9186454546545478
Energy: 0.8822407722407235
Energy: 0.8610083261388788
Energy: 0.8832583571176092
Energy: 0.9359638731673985
Energy: 0.8832583571176092
Energy: 0.8501242793119725
Energy: 0.9096610105379502
Energy: 0.8504693953025958
Energy: 0.9096610105379502
Energy: 0.9872665559730189
Energy: 0.9397100564928582
Energy: 0.8552207889724843
Energy: 0.9397100564940044
Energy: 0.8872601575211838
Energy: 0.9764616454954432
Energy: 0.914323411454394
Energy: 0.9764616454954432
Energy: 0.8147837161748587
Energy: 0.9764757775302122
Energy: 0.9076981827535262
Energy: 0.9764757775313583
Energy: 0.8699468569162292
Energy: 0.8688864566370206
Energy: 0.8702188986616248
Energy: 0.8688864566370206
Energy: 0.8540386486098359
Energy: 0.9399441906485269
Energy: 0.8492394002249349
Energy: 0.9399441906485269
Energy: 0.8684640986392488
Energy: 0.9484380191986739
Energy: 0.903030449615677
Energy: 0.9484380191986739
Energy: 0.9145293506961701
Energy: 0.9772878141518972
Energy: 0.8201480680258441
Energy: 0.9772878141518972
Energy: 0.8500685297523278
Energy: 0.921184074050397
Energy: 0.8882082149869377
Energy: 0.921184074050397

minimum gb energy = 0.8147837161748587 eV
minimum distance =  2.36357029713352 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.0318516691519826
Energy: 0.8670646732830609
Energy: 1.4794114112364196
Energy: 0.86706467328268
Energy: 0.8416721611543979
Energy: 0.9823738114921852
Energy: 0.8181315953242045
Energy: 0.9823738114921852
Energy: 1.0205926222806514
Energy: 0.8777582221507473
Energy: 0.8755424962384715
Energy: 0.8777582221507473
Energy: 0.873386809373315
Energy: 0.9437805644386298
Energy: 0.8110956924048959
Energy: 0.943780564438428
Energy: 0.8023142154807603
Energy: 0.8765153563635626
Energy: 0.9480756716161026
Energy: 0.8765153563639436
Energy: 0.8664871032026547
Energy: 0.9027353811257165
Energy: 0.8301260843406288
Energy: 0.9027353811255373
Energy: 0.8387938968052919
Energy: 0.8785507646845563
Energy: 0.8296910229973012
Energy: 0.8785507646839738
Energy: 0.8368465786222815
Energy: 1.0405204883994317
Energy: 0.8311863623050025
Energy: 1.0405204883992296
Energy: 0.8411446791844687
Energy: 0.8776122473762449
Energy: 0.8293157155281454
Energy: 0.8776122473762449
Energy: 0.865357099496462
Energy: 0.9019389038698484
Energy: 0.8311085228483167
Energy: 0.9019389038696468
Energy: 0.7776884373631096
Energy: 0.8767187594318903
Energy: 0.9478293672828395
Energy: 0.8767187594320694
Energy: 0.773511184411502
Energy: 0.9306135120313888
Energy: 0.8597668045819561
Energy: 0.9306135120313888
Energy: 1.0214606301754152
Energy: 0.8769087338740343
Energy: 0.8184846907243767
Energy: 0.8769087338742139
Energy: 0.8057872307337539
Energy: 0.8769114819105857
Energy: 0.8180520158427665
Energy: 0.876911481910989
Energy: 0.8064473660616369
Energy: 0.8656696649413317
Energy: 0.9475286118906094
Energy: 0.8656696649407492
Energy: 0.8063966516591726
Energy: 0.843580156781832
Energy: 0.8980387314711711
Energy: 0.8435801567814286
Energy: 1.0209267307644854
Energy: 0.8769802070398275
Energy: 0.8183597168451452
Energy: 0.8769802070406119
Energy: 0.8416216487903595
Energy: 0.8761630924003988
Energy: 0.822290672348307
Energy: 0.876163092400197
Energy: 0.7779003011093409
Energy: 0.8766408440908827
Energy: 0.9476657282782148
Energy: 0.876640844090681
Energy: 0.7699684320006538
Energy: 0.9291958179559872
Energy: 0.9483694855125229
Energy: 0.9291958179559872

minimum gb energy = 0.7699684320006538 eV
minimum distance =  2.31537567958709 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7899191213216075
Energy: 0.81262124964344
Energy: 1.2731652660156678
Energy: 0.81262124964344
Energy: 0.7788969462843464
Energy: 0.8725933448620137
Energy: 0.7837419383026974
Energy: 0.8725933448620137
Energy: 0.9176688506569833
Energy: 0.8009137786330297
Energy: 0.7813852395350762
Energy: 0.8009137786330297
Energy: 0.7517964183451905
Energy: 0.8377897697675304
Energy: 0.7900567548053629
Energy: 0.8377897697675304
Energy: 0.745820986871797
Energy: 0.8062012477465396
Energy: 0.8529303167376521
Energy: 0.8062012477465396
Energy: 0.7416461457693394
Energy: 0.8376709097184165
Energy: 0.7844075458795013
Energy: 0.8376709097168766
Energy: 0.7892265265984478
Energy: 0.805525575226357
Energy: 0.7559600517892413
Energy: 0.8055255752248174
Energy: 0.7700259104322914
Energy: 0.8136703143127731
Energy: 0.7752689561861767
Energy: 0.8136703143127731
Energy: 0.7605058687433593
Energy: 0.8059561590137586
Energy: 0.7851258855341773
Energy: 0.8059561590122187
Energy: 0.7720081239349922
Energy: 0.8982083906404184
Energy: 0.7713639271618409
Energy: 0.8982083906404184
Energy: 0.752367036163059
Energy: 0.8053511110252267
Energy: 0.7925552936725077
Energy: 0.8053511110267666
Energy: 0.7517813383438544
Energy: 0.8123612819382328
Energy: 0.7741188568470101
Energy: 0.8123612819382328
Energy: 0.7915925404015918
Energy: 0.8057139124383519
Energy: 0.7152579297805254
Energy: 0.8057139124383519
Energy: 0.7873573298406443
Energy: 0.8365631945525148
Energy: 0.714882583696065
Energy: 0.8365631945525148
Energy: 0.6957774111312991
Energy: 0.8052670307292522
Energy: 0.854949730322925
Energy: 0.8052670307292522
Energy: 0.7573601634152209
Energy: 0.8056882062409151
Energy: 0.7884875006727429
Energy: 0.8056882062409151
Energy: 0.9143172334295742
Energy: 0.7995755173383263
Energy: 0.7192678710756297
Energy: 0.7995755173368215
Energy: 0.7756973613702421
Energy: 0.8106807950090168
Energy: 0.7463807694563107
Energy: 0.8106807950090168
Energy: 0.7328866152699695
Energy: 0.811447909257022
Energy: 0.8564159828532167
Energy: 0.811447909258562
Energy: 0.7769047672613293
Energy: 0.7795805880706052
Energy: 0.7800671647482621
Energy: 0.7795805880706052
Energy: 0.9147903531684999
Energy: 0.7996392747332434
Energy: 0.7196003769824777
Energy: 0.7996392747347832
Energy: 0.8111609456826433
Energy: 0.7923701483227488
Energy: 0.7464802644436644
Energy: 0.7923701483227488
Energy: 0.6957558388855619
Energy: 0.8052834252712124
Energy: 0.8562278270313899
Energy: 0.8052834252712124
Energy: 0.7578904287518462
Energy: 0.8060297960800121
Energy: 0.7715805546169888
Energy: 0.8060297960800121
Energy: 0.7923923315896799
Energy: 0.8057188600793271
Energy: 0.715398379238264
Energy: 0.8057188600793271
Energy: 0.836292565431179
Energy: 0.8370341147226472
Energy: 0.712045269290827
Energy: 0.8370341147211073

minimum gb energy = 0.6957558388855619 eV
minimum distance =  2.32081774654437 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.7639247775218092
Energy: 0.7614196217019482
Energy: 1.1316586180202595
Energy: 0.7614196217019482
Energy: 0.7503111240004907
Energy: 0.8419177927858712
Energy: 0.7110370249976844
Energy: 0.8419177927858712
Energy: 0.8373649238672647
Energy: 0.75015562765691
Energy: 0.7173082452795433
Energy: 0.7501556276556476
Energy: 0.7165990520529969
Energy: 0.7600174712184106
Energy: 0.7113835669567236
Energy: 0.7600174712184106
Energy: 0.713358201934001
Energy: 0.7442972108743079
Energy: 0.7849567178778133
Energy: 0.7442972108743079
Energy: 0.716658801003543
Energy: 0.7985768739081176
Energy: 0.7013051779331949
Energy: 0.7985768739093799
Energy: 0.776431855594174
Energy: 0.7476087893559404
Energy: 0.6920881030275742
Energy: 0.7476087893559404
Energy: 0.7111365556271899
Energy: 0.7012417917256625
Energy: 0.690837605128298
Energy: 0.7012417917244002
Energy: 0.7027935428910898
Energy: 0.7472594306083991
Energy: 0.74070634007593
Energy: 0.7472594306083991
Energy: 0.7115330394391123
Energy: 0.7429081696725968
Energy: 0.709168336655632
Energy: 0.7429081696725968
Energy: 0.7067493934019878
Energy: 0.7471126127790176
Energy: 0.7285119141701432
Energy: 0.7471126127790176
Energy: 0.7273280274068777
Energy: 0.7324000820243194
Energy: 0.7094949717031341
Energy: 0.7324000820243194
Energy: 0.7456904712799678
Energy: 0.7468995824314366
Energy: 0.6754589863308811
Energy: 0.7468995824314366
Energy: 0.7121188882051843
Energy: 0.7448728307286552
Energy: 0.7097685177232844
Energy: 0.7448728307286552
Energy: 0.6631719733227817
Energy: 0.7470431462014133
Energy: 0.743525950829319
Energy: 0.7470431462026758
Energy: 0.6633015520222819
Energy: 0.7660433091689752
Energy: 0.7352977973816747
Energy: 0.7660433091689752
Energy: 0.780183360847463
Energy: 0.7476758793549357
Energy: 0.6529082989759417
Energy: 0.7476758793549357
Energy: 0.7143333481021943
Energy: 0.7477779940622618
Energy: 0.7035279801384725
Energy: 0.7477779940635243
Energy: 0.6970512393013435
Energy: 0.7429308063499269
Energy: 0.7873023590674442
Energy: 0.7429308063499269
Energy: 0.6971591893710238
Energy: 0.7383322614066047
Energy: 0.7576768122054964
Energy: 0.7383322614066047
Energy: 0.8352118134217503
Energy: 0.7496268105354835
Energy: 0.6694229261148893
Energy: 0.7496268105354835
Energy: 0.7524027069995664
Energy: 0.7384330690269274
Energy: 0.7149832637252813
Energy: 0.7384330690269274
Energy: 0.7076980616558549
Energy: 0.7620187006240223
Energy: 0.7882858264513025
Energy: 0.7620187006240223
Energy: 0.7198035908229425
Energy: 0.7431474088471057
Energy: 0.7570937492067636
Energy: 0.7431474088458432
Energy: 0.8408714048788923
Energy: 0.7497124490063914
Energy: 0.6696079498906297
Energy: 0.7497124490063914
Energy: 0.7162935391029219
Energy: 0.7491629027559302
Energy: 0.7095902759889465
Energy: 0.7491629027559302
Energy: 0.6966713545887799
Energy: 0.7427917980200147
Energy: 0.7883350709761521
Energy: 0.7427917980187522
Energy: 0.6890927496583237
Energy: 0.7540484924332617
Energy: 0.7355849975738362
Energy: 0.7540484924319992
Energy: 0.7755111140279212
Energy: 0.747163929524097
Energy: 0.6531019958637883
Energy: 0.7471639295228345
Energy: 0.7155547799046303
Energy: 0.7462510316218115
Energy: 0.6943750218804892
Energy: 0.7462510316218115
Energy: 0.6635042900581022
Energy: 0.747064329503184
Energy: 0.7415685544608169
Energy: 0.747064329503184
Energy: 0.6897391785519524
Energy: 0.7652485256012718
Energy: 0.7502379132560593
Energy: 0.7652485256012718

minimum gb energy = 0.6529082989759417 eV
minimum distance =  2.32732349798006 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.711870774223762
Energy: 0.7150333453085919
Energy: 1.027266357572762
Energy: 0.7150333453085919
Energy: 0.6983382893216468
Energy: 0.7745992249578257
Energy: 0.6930223195864914
Energy: 0.7745992249610342
Energy: 0.7747188116933426
Energy: 0.7081232850190383
Energy: 0.9462136052645175
Energy: 0.7081232850179687
Energy: 0.6644539179513383
Energy: 0.7555116508207197
Energy: 0.6932415793428308
Energy: 0.7555116508196503
Energy: 0.9401305402791428
Energy: 0.7037992629622464
Energy: 0.7328267022502449
Energy: 0.7037992629611768
Energy: 0.6642881572334379
Energy: 0.6932722849941486
Energy: 0.6686680441392464
Energy: 0.6932722849941486
Energy: 0.7247377888673171
Energy: 0.6950792385877315
Energy: 0.8572231159175232
Energy: 0.6950792385877315
Energy: 0.6546494322268164
Energy: 0.7371471595503102
Energy: 0.6687262475221744
Energy: 0.7371471595503102
Energy: 0.8576790724062885
Energy: 0.6980477652352983
Energy: 0.7003045880418818
Energy: 0.6980477652342288
Energy: 0.6544348255532337
Energy: 0.6553847995805019
Energy: 0.6684032610432091
Energy: 0.655384799578363
Energy: 0.7001917748086284
Energy: 0.6975465738412586
Energy: 0.7880320142714473
Energy: 0.6975465738423281
Energy: 0.6670668410589834
Energy: 0.6820478760094648
Energy: 0.6684265082507874
Energy: 0.6820478760073745
Energy: 0.7946384269407318
Energy: 0.6977708720056583
Energy: 0.6857288532139184
Energy: 0.6977708720056583
Energy: 0.6671979071292324
Energy: 0.7330655989367426
Energy: 0.6764366387436145
Energy: 0.7330655989378122
Energy: 0.6475085855899828
Energy: 0.698032593078154
Energy: 0.741396082335901
Energy: 0.698032593080293
Energy: 0.667156748289211
Energy: 0.7324128540414822
Energy: 0.669083048257855
Energy: 0.7324128540414822
Energy: 0.7575894660209312
Energy: 0.6980597125152377
Energy: 0.6409999748322256
Energy: 0.6980597125130987
Energy: 0.6815961145113221
Energy: 0.710911396063722
Energy: 0.6598923281825152
Energy: 0.710911396063722
Energy: 0.6225098122925713
Energy: 0.6980457733054268
Energy: 0.7025739840460942
Energy: 0.6980457733075658
Energy: 0.6666700232705649
Energy: 0.7164480395548364
Energy: 0.6665958060885291
Energy: 0.7164480395559057
Energy: 0.7268092741164297
Energy: 0.6951332363146984
Energy: 0.6243033415516175
Energy: 0.6951332363146984
Energy: 0.6934165403043301
Energy: 0.6867028661346797
Energy: 0.661082235425453
Energy: 0.6867028661357492
Energy: 0.6650746364915503
Energy: 0.7004013476696843
Energy: 0.7339875000375737
Energy: 0.7004013476718233
Energy: 0.6672284858880302
Energy: 0.7069701203238646
Energy: 0.6893849530582834
Energy: 0.7069701203238646
Energy: 0.7729156032636358
Energy: 0.7070698690411021
Energy: 0.6417068324851833
Energy: 0.7070698690389632
Energy: 0.7226019688963671
Energy: 0.7064227900479488
Energy: 0.6736380476067101
Energy: 0.7064227900479488
Energy: 0.6626048566527903
Energy: 0.7154751473934395
Energy: 0.7348660711698206
Energy: 0.7154751473934395
Energy: 0.6936259350154605
Energy: 0.7111945811051374
Energy: 0.6891555049473175
Energy: 0.7111945811062068
Energy: 0.7897043199047258
Energy: 0.7076159138582712
Energy: 0.6415700084393484
Energy: 0.7076159138582712
Energy: 0.6936909128327965
Energy: 0.6865130969576744
Energy: 0.6735603569803005
Energy: 0.6865130969576744
Energy: 0.6652864734959317
Energy: 0.7008694762126573
Energy: 0.7348304088696619
Energy: 0.7008694762137267
Energy: 0.6687373846625064
Energy: 0.692487977874718
Energy: 0.6668547650881581
Energy: 0.6924879778768571
Energy: 0.7241268036243781
Energy: 0.6946717453248634
Energy: 0.6241611940006925
Energy: 0.6946717453248634
Energy: 0.6808756741044019
Energy: 0.7033094427938502
Energy: 0.6530431594103151
Energy: 0.7033094427927807
Energy: 0.6224960001697304
Energy: 0.6979355611268389
Energy: 0.721643577450086
Energy: 0.6979355611257694
Energy: 0.6573522274009852
Energy: 0.7162109899861513
Energy: 0.6689611372253744
Energy: 0.7162109899872209
Energy: 0.6948030815111803
Energy: 0.6974085360922221
Energy: 0.6298799931351655
Energy: 0.6974085360922221

minimum gb energy = 0.6224960001697304 eV
minimum distance =  2.33269514801825 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.6880601080808932
Energy: 0.6597676361554511
Energy: 0.9173010185049676
Energy: 0.6597676361554511
Energy: 0.6257407779142835
Energy: 0.7030689567973336
Energy: 0.6157791348752126
Energy: 0.7030689567973336
Energy: 0.7126668829824422
Energy: 0.6612120830890652
Energy: 0.6609376747314158
Energy: 0.6612120830890652
Energy: 0.6044373222964935
Energy: 0.6987695570832742
Energy: 0.6157346136795957
Energy: 0.6987695570842016
Energy: 0.7070375204639446
Energy: 0.6331028815934847
Energy: 0.6765658859684193
Energy: 0.6331028815934847
Energy: 0.6043271110641734
Energy: 0.6931651091808457
Energy: 0.5994396172506042
Energy: 0.6931651091808457
Energy: 0.6734210753994797
Energy: 0.6364816423402377
Energy: 0.6818440484431397
Energy: 0.6364816423402377
Energy: 0.6060075541989235
Energy: 0.6211937463552851
Energy: 0.6009580371181441
Energy: 0.6211937463552851
Energy: 0.6634293432770073
Energy: 0.6251010764292599
Energy: 0.676708458444637
Energy: 0.6251010764292599
Energy: 0.6067039061464579
Energy: 0.7195875783860806
Energy: 0.6038722803876406
Energy: 0.7195875783860806
Energy: 0.6343761784144656
Energy: 0.625290221954285
Energy: 0.6543500743235294
Energy: 0.625290221954285
Energy: 0.6256375777523079
Energy: 0.6549302881486212
Energy: 0.6033582390043567
Energy: 0.6549302881486212
Energy: 0.6343842478836127
Energy: 0.6251815133386667
Energy: 0.6375070444718393
Energy: 0.6251815133386667
Energy: 0.6254968246233701
Energy: 0.658657383265061
Energy: 0.6245848901991998
Energy: 0.658657383265061
Energy: 0.6234679943791933
Energy: 0.6253939389731916
Energy: 0.6396586745462876
Energy: 0.6253939389731916
Energy: 0.6242161366627167
Energy: 0.6871773318979565
Energy: 0.6244374274540031
Energy: 0.6871773318979565
Energy: 0.6219192678559966
Energy: 0.6254428558018251
Energy: 0.6076501456237082
Energy: 0.6254428558018251
Energy: 0.6257043518263046
Energy: 0.6871210023270892
Energy: 0.6244789755316096
Energy: 0.6871210023270892
Energy: 0.5732477684424632
Energy: 0.6255874663019406
Energy: 0.6460847915732928
Energy: 0.625587466301013
Energy: 0.6109314585263383
Energy: 0.6531516273208295
Energy: 0.6278193710947533
Energy: 0.6531516273199021
Energy: 0.6343229865383079
Energy: 0.6251281589366605
Energy: 0.6040845380715393
Energy: 0.6251281589366605
Energy: 0.6058035355341181
Energy: 0.6517178259122121
Energy: 0.6150304592391385
Energy: 0.6517178259122121
Energy: 0.5744943302928096
Energy: 0.6252044953161077
Energy: 0.6760491640715103
Energy: 0.6252044953161077
Energy: 0.5975536718130592
Energy: 0.6203234363587213
Energy: 0.610700662106022
Energy: 0.6203234363587213
Energy: 0.674864696255533
Energy: 0.6353838872727621
Energy: 0.5759137078304968
Energy: 0.6353838872736896
Energy: 0.6051096504672692
Energy: 0.6167177827764015
Energy: 0.5995094714222469
Energy: 0.6167177827773291
Energy: 0.5894665464693972
Energy: 0.6333531349350421
Energy: 0.6777056681659708
Energy: 0.6333531349350421
Energy: 0.6078132248254537
Energy: 0.6178131731605515
Energy: 0.6123517179492439
Energy: 0.6178131731614791
Energy: 0.7114024258301437
Energy: 0.6617349515336487
Energy: 0.5964223834920754
Energy: 0.661734951532721
Energy: 0.6261254138053175
Energy: 0.6186875340694937
Energy: 0.6156043119721435
Energy: 0.6186875340694937
Energy: 0.6275622049268348
Energy: 0.6599670306328302
Energy: 0.6785096156601016
Energy: 0.6599670306328302
Energy: 0.6407475119007285
Energy: 0.6183060140912731
Energy: 0.612520038762777
Energy: 0.6183060140903454
Energy: 0.7118706432649841
Energy: 0.6619045820155822
Energy: 0.5963261229906155
Energy: 0.6619045820165097
Energy: 0.6054082540615066
Energy: 0.6103090991116406
Energy: 0.6155274875849122
Energy: 0.6103090991116406
Energy: 0.5884957070323422
Energy: 0.6334483463117988
Energy: 0.6783535490528039
Energy: 0.6334483463117988
Energy: 0.6077100805072471
Energy: 0.6151731375833562
Energy: 0.6106974778342856
Energy: 0.6151731375833562
Energy: 0.6728021711657342
Energy: 0.6355248199397541
Energy: 0.5757604919848628
Energy: 0.6355248199397541
Energy: 0.6061012885166874
Energy: 0.6232202650592162
Energy: 0.5994409996554513
Energy: 0.6232202650601439
Energy: 0.5749171315805437
Energy: 0.625411833121726
Energy: 0.6752186137306729
Energy: 0.625411833121726
Energy: 0.5986660826889932
Energy: 0.6260102432882791
Energy: 0.6276644919321077
Energy: 0.6260102432892066
Energy: 0.6340020607031082
Energy: 0.6250249212122312
Energy: 0.6041255319802649
Energy: 0.6250249212131588
Energy: 0.6257557207319109
Energy: 0.6509516123999799
Energy: 0.6047345340364337
Energy: 0.6509516123999799
Energy: 0.5734690833886754
Energy: 0.6277969377585195
Energy: 0.6420074860514707
Energy: 0.6277969377594471

minimum gb energy = 0.5732477684424632 eV
minimum distance =  2.33455982689514 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.015042786812206237
Energy: 0.015358858068296882
Energy: 1.426731708467788
Energy: 0.015358858068296882
Energy: 0.015555655667196102
Energy: 0.5707677443852374
Energy: 0.015555655572398987
Energy: 0.5707677443852374
Energy: 1.426731708467788
Energy: 0.015358858068296882
Energy: 0.015042786812206237
Energy: 0.015358858068296882
Energy: 0.015555655595414919
Energy: 0.5707677443852374
Energy: 0.015555655568912927
Energy: 0.5707677443852374
Energy: 0.015042786812206237
Energy: 0.015358858068296882
Energy: 1.426731708467788
Energy: 0.015358858067583823
Energy: 0.015555655838607341
Energy: 0.5707677443852374
Energy: 0.015555655672068664
Energy: 0.5707677443852374

minimum gb energy = 0.015042786812206237 eV
minimum distance =  2.43819146691029 Angstroms
sigma value = 1