Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264240729233
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -4.3766955338e-11 eV

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

Energy: 0.01264522801269778
Energy: 0.320569266645256
Energy: 0.4640529367302839
Energy: 0.5234217917692465
Energy: 0.5249131351404897
Energy: 0.19206127972627612
Energy: 0.014303121729731024
Energy: 0.066855848543592
Energy: 0.4211936975076342
Energy: 0.16134858772684627
Energy: 0.3190719814381995
Energy: 0.4214826136297524
Energy: 0.012934663035241064
Energy: 0.0672594711946942
Energy: 0.012983234314413408
Energy: 0.4223483914485264
Energy: 0.17911566461566383
Energy: 0.3189778757411263
Energy: 0.4212105453108516
Energy: 0.06694899845443893
Energy: 0.06870632013912226
Energy: 0.014284957183830292
Energy: 0.3243849444473008
Energy: 0.31899398175181864
Energy: 0.5236512568076578
Energy: 0.5256623341658726
Energy: 0.06703897693232859
Energy: 0.014082999335671854
Energy: 0.06690351702827418
Energy: 0.5251339862792552
Energy: 0.16141434390315568
Energy: 0.32091501072606077
Energy: 0.3194259023843079
Energy: 0.013114441636067257
Energy: 0.06691147339907678
Energy: 0.012926555830575594
Energy: 0.3638717531179897
Energy: 0.25787539553763195
Energy: 0.3192311842528564
Energy: 0.42063998975036987
Energy: 0.06690456037824695
Energy: 0.06852475000686326

minimum gb energy = 0.01264522801269778 eV
minimum distance =  2.83605022373692 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.6036034232992151
Energy: 0.7837174805760099
Energy: 0.6354302784885619
Energy: 0.5785196469265804
Energy: 0.6505953225495592
Energy: 0.603607784093464
Energy: 0.6522929354025307
Energy: 0.540295892060111
Energy: 0.6309293488326552
Energy: 0.5544383779258223
Energy: 0.6514009860853138
Energy: 0.6235180375820576
Energy: 0.597913070049212
Energy: 0.6366212783446098
Energy: 0.6212745163050104
Energy: 0.6811197307099076
Energy: 0.6621835073446877
Energy: 0.6460480189112536
Energy: 0.6688724318116304
Energy: 0.6568608471995063
Energy: 0.6638520941482703
Energy: 0.5334584083981485
Energy: 0.6688257685088521
Energy: 0.549531042113741
Energy: 0.6307638366256465
Energy: 0.6247794428603084
Energy: 0.5823111548912551
Energy: 0.7021096170604254
Energy: 0.6278890170003857
Energy: 0.6546217155473634
Energy: 0.5809610366762726
Energy: 0.6325538401245205
Energy: 0.5936473788075323
Energy: 0.645840303034106
Energy: 0.6417724105879232
Energy: 0.5842133210787127
Energy: 0.6192110794887272
Energy: 0.5943608693217367
Energy: 0.5761602087950101
Energy: 0.578188473505408
Energy: 0.6062521622900728
Energy: 0.6508997356042857
Energy: 0.6019218208264956
Energy: 0.6471712981866401
Energy: 0.6178997864561231
Energy: 0.6248388740720607
Energy: 0.6432797815889474
Energy: 0.603995730611994
Energy: 0.7091015062601805
Energy: 0.5574479873831947
Energy: 0.6861941180370581
Energy: 0.5308797725446732
Energy: 0.6399418605458522
Energy: 0.6345412783133753
Energy: 0.5790850935856983
Energy: 0.6871946015218576
Energy: 0.5937757656499006
Energy: 0.6485570721467381
Energy: 0.5742321922009396
Energy: 0.6395027561134704
Energy: 0.6301983361586071
Energy: 0.592102122760892
Energy: 0.6368343442074362
Energy: 0.5963725126670152
Energy: 0.6499922195063259
Energy: 0.5974257362439289
Energy: 0.6458907185027317
Energy: 0.609028644406489
Energy: 0.5887427802460463
Energy: 0.6460957209240856
Energy: 0.5545040739364774
Energy: 0.6576996212195932
Energy: 0.6079340872545672
Energy: 0.6479525277788551
Energy: 0.6317310625914023
Energy: 0.5771096681253588
Energy: 0.6330248553788158
Energy: 0.6349021867583294
Energy: 0.658036138762595
Energy: 0.638314095039204
Energy: 0.6454287216523408
Energy: 0.6438968134677223
Energy: 0.6054952761217318
Energy: 0.627559047175397
Energy: 0.5661751833228231
Energy: 0.6602819841589426
Energy: 0.6199716380898335
Energy: 0.5890257687212587
Energy: 0.614468342432124
Energy: 0.5944327053705789
Energy: 0.6430211263807846
Energy: 0.5925838908370898
Energy: 0.7267759445349752
Energy: 0.6359927646948068
Energy: 0.6423717977250163
Energy: 0.5959156049205806
Energy: 0.6174146423277217
Energy: 0.6517533827813611
Energy: 0.5617233766714302
Energy: 0.6200760671929919
Energy: 0.6064842665412763
Energy: 0.6025623143515102
Energy: 0.6040539127625145
Energy: 0.557123980843214
Energy: 0.6526994171333332
Energy: 0.6461323297635367
Energy: 0.6839809342911772
Energy: 0.6206384357009193
Energy: 0.6337418291174486
Energy: 0.618948395088921
Energy: 0.5849049611569334
Energy: 0.6806955034994329
Energy: 0.5688163462113868
Energy: 0.6711952753425514
Energy: 0.5881116446470014
Energy: 0.6176145218150317
Energy: 0.6064463853398773
Energy: 0.5969843386865813
Energy: 0.6934598448052689
Energy: 0.6517805608223767
Energy: 0.6854212211488839
Energy: 0.5981049380942922
Energy: 0.6252885424548865
Energy: 0.6412551531358825
Energy: 0.6572014318981909
Energy: 0.6444871896106443
Energy: 0.5949991164292038
Energy: 0.610215416637099
Energy: 0.570315511878111
Energy: 0.5767802584456848
Energy: 0.5843118958381989
Energy: 0.5763307268461912
Energy: 0.6446998744121025
Energy: 0.6298744116854889
Energy: 0.6060279130890235
Energy: 0.6174665473167865
Energy: 0.6065162164739806
Energy: 0.5989598577467455
Energy: 0.620641206699808
Energy: 0.6106356769149266
Energy: 0.553566554337272
Energy: 0.6483110706319793
Energy: 0.5816606393055538
Energy: 0.5991976050106463
Energy: 0.6325974218621718
Energy: 0.6174070488636202
Energy: 0.6823292268702817
Energy: 0.6338671383501663
Energy: 0.6582108821177516
Energy: 0.6516170062013489
Energy: 0.6798105142459321
Energy: 0.6670511777586563
Energy: 0.6154413997456353
Energy: 0.634640516316443
Energy: 0.5513543503646661
Energy: 0.6399274781283758
Energy: 0.5737296767192233
Energy: 0.6892969223887526
Energy: 0.6372650870626742
Energy: 0.5382652122246374
Energy: 0.6331243588747175
Energy: 0.6034786130703238
Energy: 0.6427630641577257
Energy: 0.6493359632933855
Energy: 0.5674332118292981
Energy: 0.6527763409118994
Energy: 0.6010341413858376
Energy: 0.6530933649247039
Energy: 0.5438946072203447
Energy: 0.646332724995185
Energy: 0.6263704654011848
Energy: 0.6539866637733418
Energy: 0.6142069608930523
Energy: 0.5834414847432441
Energy: 0.6083416437612361
Energy: 0.5606112561043358
Energy: 0.6789869500825274
Energy: 0.6334999162492135
Energy: 0.6474725620170839
Energy: 0.6445163832787209
Energy: 0.6271810060796305
Energy: 0.6786368518997307
Energy: 0.5334343526068934
Energy: 0.6893273584114616
Energy: 0.5494926658044857
Energy: 0.662795398328514
Energy: 0.6325229690385389
Energy: 0.6058975590559352
Energy: 0.6740141579463885
Energy: 0.6376982331846675
Energy: 0.6507946913591793
Energy: 0.580719224434769
Energy: 0.5595469012521137
Energy: 0.6209470744246354
Energy: 0.6411698073292786
Energy: 0.6296626767029389
Energy: 0.607911551979415
Energy: 0.6244788869257412
Energy: 0.5803630078317474
Energy: 0.5821294571270952
Energy: 0.5581945692272403
Energy: 0.6428753541963773
Energy: 0.6717137057658423
Energy: 0.6078632249446507
Energy: 0.6466637350983988
Energy: 0.6144474604205552
Energy: 0.6386894168344246
Energy: 0.6259314228335853
Energy: 0.6026111198322667
Energy: 0.6783641295001357
Energy: 0.5798926686088165
Energy: 0.6866872642263101
Energy: 0.6150867624090007
Energy: 0.6270590782907685
Energy: 0.6570189634651334
Energy: 0.6464913431361925
Energy: 0.6933447963229352
Energy: 0.5769834335114085
Energy: 0.6637387777880827
Energy: 0.6295106772883904
Energy: 0.6624810948443136
Energy: 0.6422114481379684
Energy: 0.584735860627093
Energy: 0.6365313014111793
Energy: 0.596791592360394
Energy: 0.6639317674366568
Energy: 0.6208669120976124
Energy: 0.5763708983769465
Energy: 0.6094332784963252
Energy: 0.5968968978097454
Energy: 0.6400848173368191
Energy: 0.5544981293829899
Energy: 0.631235403026128
Energy: 0.604324483750654
Energy: 0.6370212299108857
Energy: 0.6299077718628595
Energy: 0.5599275548441848
Energy: 0.6404525188834114
Energy: 0.639919337598781
Energy: 0.6244297363082175
Energy: 0.6437018912799978
Energy: 0.6592569801144845
Energy: 0.6794721241150051
Energy: 0.6192942758492742
Energy: 0.6217262244237141
Energy: 0.5670739526378625
Energy: 0.6558344255422546
Energy: 0.6108620649595964
Energy: 0.5998703506930592
Energy: 0.6218779020441718
Energy: 0.5908023470769358
Energy: 0.6387720510799609
Energy: 0.5948716820468044
Energy: 0.7055357179617104
Energy: 0.6361512870140886
Energy: 0.636646917926341
Energy: 0.5960262392820688
Energy: 0.6228808272556235
Energy: 0.6525670757023939
Energy: 0.5719222024973832
Energy: 0.61926820266743
Energy: 0.5750608951000444
Energy: 0.588705205850234
Energy: 0.6097092249503572
Energy: 0.5596997901510751
Energy: 0.6477318439127406
Energy: 0.6403275068331089
Energy: 0.6845112225713587
Energy: 0.6251825613575732
Energy: 0.629615715209901
Energy: 0.6123359483040223
Energy: 0.6146869796716588
Energy: 0.6633456824092403
Energy: 0.5684803053726489
Energy: 0.6648896670356242
Energy: 0.5730053152982947
Energy: 0.627659795735227
Energy: 0.5867565527855152
Energy: 0.5965752134310223
Energy: 0.6941114911325447
Energy: 0.6198634046990271
Energy: 0.6968478432307016
Energy: 0.5874678064114092
Energy: 0.630028595376538
Energy: 0.642788819382474
Energy: 0.652969094052312
Energy: 0.6796711914240231
Energy: 0.5809053820234248
Energy: 0.6109350180042331
Energy: 0.5722932619804598
Energy: 0.6005611706592603
Energy: 0.5674004949999122
Energy: 0.5825781692795975
Energy: 0.6128715637035685
Energy: 0.6205388911942722
Energy: 0.6854773832483917
Energy: 0.6170754859768833
Energy: 0.6075481745619846
Energy: 0.6206020603974507
Energy: 0.6165630567231054
Energy: 0.6093659965132595
Energy: 0.5507123953197897
Energy: 0.6527475875815958
Energy: 0.5934313760316382
Energy: 0.598457049355606
Energy: 0.6328871572965835
Energy: 0.6008537487725929
Energy: 0.6867057935242212
Energy: 0.6390283844288742
Energy: 0.6427137800093894
Energy: 0.621299068621378
Energy: 0.6550780998276605
Energy: 0.6988811792293504
Energy: 0.6597938663858348
Energy: 0.6259107554587702
Energy: 0.5564046804682847
Energy: 0.6459914321785489
Energy: 0.5817175204914832
Energy: 0.7143872396278234
Energy: 0.6427051205820546
Energy: 0.541279437866413
Energy: 0.6494132940607403
Energy: 0.5866767707706455
Energy: 0.670539773929459
Energy: 0.6121641261883738
Energy: 0.566083949996765
Energy: 0.6515126837235583
Energy: 0.5905321320586707
Energy: 0.6498253080867483

minimum gb energy = 0.5308797725446732 eV
minimum distance =  2.54501481140171 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.5424185357783716
Energy: 0.6618673699945343
Energy: 0.6559386487674332
Energy: 0.5570925759308876
Energy: 0.6957937043748201
Energy: 0.5531508824838569
Energy: 0.5441743341790969
Energy: 0.5430744178120115
Energy: 0.6019928395428992
Energy: 0.5686778727611757
Energy: 0.6378264132041884
Energy: 0.6593662941806722
Energy: 0.5677699580834308
Energy: 0.5935858313575249
Energy: 0.5889512326980866
Energy: 0.6720893330142216
Energy: 0.6312697012984274
Energy: 0.5895851279954637
Energy: 0.6181427083728878
Energy: 0.6510980724037968
Energy: 0.641589851648197
Energy: 0.5708465956231902
Energy: 0.5924358529113768
Energy: 0.5429013408789121
Energy: 0.629636236024117
Energy: 0.5689109139743215
Energy: 0.5389283707589873
Energy: 0.5782400690398839
Energy: 0.6111767832759233
Energy: 0.58197331914106
Energy: 0.5438673984612522
Energy: 0.5476758676814651
Energy: 0.5931843559186374
Energy: 0.5925495772198112
Energy: 0.645601364252309
Energy: 0.6168074071756295
Energy: 0.5744824575785997
Energy: 0.5527228140504294
Energy: 0.5453966707910433
Energy: 0.5344979204043453
Energy: 0.5482546913271934
Energy: 0.6729093538877731
Energy: 0.5938103654509295
Energy: 0.5903644759523248
Energy: 0.5831882441274358
Energy: 0.5958246574686326
Energy: 0.6227701190454806
Energy: 0.5380479969657299
Energy: 0.5861794739666436
Energy: 0.5431255966624101
Energy: 0.6933496796957718
Energy: 0.5475566659550879
Energy: 0.5383972140119371
Energy: 0.6213958785956604
Energy: 0.5709740417620429
Energy: 0.5931661468287283
Energy: 0.5529319267907867
Energy: 0.5434967567864251
Energy: 0.5530701313403751
Energy: 0.7063555664133646
Energy: 0.5962594429679642
Energy: 0.5948002610348521
Energy: 0.5387392908351772
Energy: 0.5426394715794205
Energy: 0.5913039050534877
Energy: 0.5616754148377768
Energy: 0.6524283071439084
Energy: 0.5978355730131355
Energy: 0.5373729386690607
Energy: 0.5954445390850279
Energy: 0.5456095848762176
Energy: 0.5380102847495775
Energy: 0.6480490936696921
Energy: 0.6223406884430516
Energy: 0.7022950216250988
Energy: 0.5324271376828399
Energy: 0.5433294257626511
Energy: 0.5599159720431651
Energy: 0.5451143572884617
Energy: 0.5873435364531907
Energy: 0.7132391955597908
Energy: 0.6567594633681004
Energy: 0.5974537221612645
Energy: 0.5420383455014982
Energy: 0.5844027233967612
Energy: 0.67123562291452
Energy: 0.5703214750121498
Energy: 0.591318015158223
Energy: 0.6193113648670767
Energy: 0.6352013308417302
Energy: 0.6437433118003678
Energy: 0.5729014988989793
Energy: 0.6413595868648102
Energy: 0.581724080343191
Energy: 0.6441615200964149
Energy: 0.5716881479534816
Energy: 0.5732248322675465
Energy: 0.5897582693699854
Energy: 0.6117778541363607
Energy: 0.5920467763292903
Energy: 0.5468085220557178
Energy: 0.5498754328658243
Energy: 0.5911113608556299
Energy: 0.5943274149432565
Energy: 0.6479318914722746
Energy: 0.6150003793996373
Energy: 0.5740216891269503
Energy: 0.5464138015378597
Energy: 0.5496202603606681
Energy: 0.5388484970309537
Energy: 0.5323025797958497
Energy: 0.6518961655795761
Energy: 0.5949118192451972
Energy: 0.5906573297338081
Energy: 0.5818339942289777
Energy: 0.5945185791087656
Energy: 0.5870068686773312
Energy: 0.6231516424440272
Energy: 0.6235173716513741
Energy: 0.5457134780620083
Energy: 0.6135871232409801
Energy: 0.5592744342365091
Energy: 0.5402323780926988
Energy: 0.6427974707621689
Energy: 0.683564264137931
Energy: 0.5902624579106243
Energy: 0.5580304860812102
Energy: 0.5433789167818267
Energy: 0.5396673246413357
Energy: 0.59126692031216
Energy: 0.7123831133003431
Energy: 0.6267269416395177
Energy: 0.5989112697373159
Energy: 0.540797101770683
Energy: 0.5899173405714235
Energy: 0.6238488549251942
Energy: 0.6563734286536002
Energy: 0.543607555949913
Energy: 0.5397004777111665
Energy: 0.5938880533781407
Energy: 0.5493954535371758
Energy: 0.5379777103656513
Energy: 0.6047061740804699
Energy: 0.6355093743007598
Energy: 0.605614011000458
Energy: 0.5331535089167174
Energy: 0.6000655145848347
Energy: 0.5525994666254094
Energy: 0.5388041450888038
Energy: 0.6457487737787909
Energy: 0.6284469686838249
Energy: 0.5862720871149782
Energy: 0.5339469814109943
Energy: 0.5396490558034759
Energy: 0.5422762242792077
Energy: 0.6865745748085249
Energy: 0.5753968641858414
Energy: 0.5920123283622271
Energy: 0.6219441117947455
Energy: 0.5706967338373734
Energy: 0.6407719951974614
Energy: 0.5712029864172982
Energy: 0.5911224413957714
Energy: 0.5829981006316911
Energy: 0.6455443914822614
Energy: 0.5995215024752197
Energy: 0.5743258302221063
Energy: 0.5933402928890374
Energy: 0.611968877909234
Energy: 0.5740832718553216
Energy: 0.5536615658559086
Energy: 0.5422456138616588
Energy: 0.5327537000949073
Energy: 0.5896454736117436
Energy: 0.661250188629294
Energy: 0.612891163970554
Energy: 0.5825593203125919
Energy: 0.5440430651922364
Energy: 0.547398026195644
Energy: 0.5789405607495766
Energy: 0.5319571239403033
Energy: 0.653319467466886
Energy: 0.5924753318187223
Energy: 0.5403934240163342
Energy: 0.5433027245148343
Energy: 0.5810579777852295
Energy: 0.5739678740743608
Energy: 0.5388156645523592
Energy: 0.6718077582947243
Energy: 0.6451175207517874
Energy: 0.6157304228602077
Energy: 0.5949580907017664
Energy: 0.5417358728487228
Energy: 0.6627116810537904
Energy: 0.596905714185446
Energy: 0.6800238654917103
Energy: 0.5523484742402864
Energy: 0.5487615465516115
Energy: 0.6078368443652262
Energy: 0.5925812787541626
Energy: 0.7118333427081757
Energy: 0.6041773271663934
Energy: 0.5819280107021438
Energy: 0.5426196402347664
Energy: 0.5887319875065521
Energy: 0.593746827089848
Energy: 0.592303452481951
Energy: 0.534250277943897
Energy: 0.5442456344273668
Energy: 0.5954166233688482
Energy: 0.5523919838284821
Energy: 0.5387913345217616
Energy: 0.6042506132654667
Energy: 0.5747260663695732
Energy: 0.5963920986394309
Energy: 0.5350744026308842
Energy: 0.5408763307818689
Energy: 0.5494851637046297
Energy: 0.5379232416534755
Energy: 0.6474701100602671
Energy: 0.6413929698670209
Energy: 0.5926374948210962
Energy: 0.5947164212359288
Energy: 0.6000560901719099
Energy: 0.5413081956410692
Energy: 0.5902570202968858
Energy: 0.5719178608609222
Energy: 0.6250194219516833
Energy: 0.5846452148463058
Energy: 0.5694965058944305
Energy: 0.6389801539910911
Energy: 0.6208323692936975
Energy: 0.6133550513522694
Energy: 0.5878852160561777
Energy: 0.5939561260743558
Energy: 0.6422419527704376
Energy: 0.6485029770492814
Energy: 0.6221498616912727
Energy: 0.5675898556096395
Energy: 0.5885365661481188
Energy: 0.5520422171475711
Energy: 0.5428238720834984
Energy: 0.5728488948185012
Energy: 0.655495849881619
Energy: 0.6564783083888304
Energy: 0.6126331891474855
Energy: 0.565606076871788
Energy: 0.543018254472914
Energy: 0.5468475816545676
Energy: 0.5951366265728961
Energy: 0.6964637954310812
Energy: 0.6005810814554483
Energy: 0.5904581567417548
Energy: 0.5897920602969902
Energy: 0.5404731043746344
Energy: 0.5436895823721383
Energy: 0.5735227503452048
Energy: 0.5384451834487917
Energy: 0.6672180091162091
Energy: 0.6229720722775856
Energy: 0.6347212702969456
Energy: 0.590990662366016
Energy: 0.5969476919066131
Energy: 0.576931954375965
Energy: 0.5973570619983517
Energy: 0.6656559232156958
Energy: 0.5498492946010335
Energy: 0.6008684077297248
Energy: 0.6073230235954176
Energy: 0.5918282701610487
Energy: 0.6635826430816356
Energy: 0.6055300366975287
Energy: 0.5698228219231525
Energy: 0.5852293956581932
Energy: 0.5867439462805766
Energy: 0.5720278143225744
Energy: 0.5906566886148579
Energy: 0.5312126578812434
Energy: 0.5852985035677536
Energy: 0.5941726537851472
Energy: 0.5598225850045341
Energy: 0.5980958941923928
Energy: 0.5856496107497594
Energy: 0.5749441236579181
Energy: 0.6482994868304267
Energy: 0.5485209582805957
Energy: 0.5432625625284425

minimum gb energy = 0.5312126578812434 eV
minimum distance =  2.57127468078482 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5976406635404717
Energy: 0.6012944359325949
Energy: 0.602468063897022
Energy: 0.6171025117989629
Energy: 0.6216979024559073
Energy: 0.5794350307134667
Energy: 0.5778040110809021
Energy: 0.5593210790398835
Energy: 0.5908843463654985
Energy: 0.5550054297452784
Energy: 0.6101894027583342
Energy: 0.590914323315695
Energy: 0.6140030233698198
Energy: 0.6518385970202895
Energy: 0.5711070704233789
Energy: 0.644730995279067
Energy: 0.5865043809404779
Energy: 0.5925724013058691
Energy: 0.6073191591082945
Energy: 0.5675983821620025
Energy: 0.617301221292988
Energy: 0.5537927036481664
Energy: 0.6453580556561718
Energy: 0.5807028004791349
Energy: 0.6649040131098347
Energy: 0.5844313863030837
Energy: 0.5489735352532502
Energy: 0.5710027569339033
Energy: 0.572946679997693
Energy: 0.5971829145555885
Energy: 0.5882679145787943
Energy: 0.6108499976387516
Energy: 0.5952785024025
Energy: 0.6044501386056573
Energy: 0.5932116623501467
Energy: 0.5641720108703169
Energy: 0.5776007303978431
Energy: 0.5602346007019153
Energy: 0.5767874063208248
Energy: 0.5750180290012332
Energy: 0.575428109389475
Energy: 0.5767834352283799
Energy: 0.6021992535317099
Energy: 0.6081922500391588
Energy: 0.604773717087928
Energy: 0.6011810991080663
Energy: 0.6615570838743549
Energy: 0.5891227573619812
Energy: 0.5909670388873162
Energy: 0.577342100319028
Energy: 0.6067532409470586
Energy: 0.5548764951052751
Energy: 0.6137877534306084
Energy: 0.624947751484265
Energy: 0.6045323624347057
Energy: 0.6632007802780013
Energy: 0.6206376472242215
Energy: 0.6081564786093109
Energy: 0.5902435060159412
Energy: 0.6113113900856783
Energy: 0.6238345874954166
Energy: 0.5599487175986154
Energy: 0.6329957022795116
Energy: 0.5567385672830693
Energy: 0.6476644710935651
Energy: 0.5542818795403199
Energy: 0.5945091835204425
Energy: 0.5690505871839995
Energy: 0.5503475534462573
Energy: 0.5860016060262259
Energy: 0.5782234019144302
Energy: 0.6067112706197831
Energy: 0.5994619916047833
Energy: 0.5976851689903292
Energy: 0.5720034859954647
Energy: 0.6143738361862102
Energy: 0.5898298353920041
Energy: 0.5591669998900192
Energy: 0.599951272145225
Energy: 0.5721413936176069
Energy: 0.5795609017552418
Energy: 0.5531511991865955
Energy: 0.5411673404041298
Energy: 0.579229919783518
Energy: 0.6026094074907821
Energy: 0.6201908767384658
Energy: 0.6029061509158106
Energy: 0.5883490269814904
Energy: 0.6590428514634951
Energy: 0.5839721839677128
Energy: 0.6154712562228339
Energy: 0.5764120948404929
Energy: 0.5779953096137906
Energy: 0.5803942039406823
Energy: 0.6122731959102403
Energy: 0.6134250604712415
Energy: 0.602077571868096
Energy: 0.6434675293600495
Energy: 0.5895440105985231
Energy: 0.5819578099182481
Energy: 0.5805544451784286
Energy: 0.6389790938438507
Energy: 0.6141015565154706
Energy: 0.5798842130726949
Energy: 0.6192830743809175
Energy: 0.5469980928501565
Energy: 0.6109308575274127
Energy: 0.5969890723614991
Energy: 0.5789921549354768
Energy: 0.5751215614181828
Energy: 0.5574045292499396
Energy: 0.6157018029440969
Energy: 0.5969447749060183
Energy: 0.5820948636434795
Energy: 0.5834534898918263
Energy: 0.6476355750168886
Energy: 0.5848498727481894
Energy: 0.6292547618708784
Energy: 0.6063765303755775
Energy: 0.5860639781571019
Energy: 0.5829372810835769
Energy: 0.5536999317807985
Energy: 0.5797628319505389
Energy: 0.5634127557167657
Energy: 0.5625016273994569
Energy: 0.5904647323225781
Energy: 0.6067354167580771
Energy: 0.6059670852248723
Energy: 0.603537776934832
Energy: 0.6009996151302143
Energy: 0.6169638860716002
Energy: 0.6101051823728063
Energy: 0.6235947561516471
Energy: 0.5825651905966374
Energy: 0.5900449329057743
Energy: 0.5795309920205205
Energy: 0.6041555743467399
Energy: 0.6032313504753769
Energy: 0.5887818469915956
Energy: 0.640360534303827
Energy: 0.5604551315327975
Energy: 0.6171346792916943
Energy: 0.5855817343033034
Energy: 0.6123329202287833
Energy: 0.6010569846845653
Energy: 0.6022515229500682
Energy: 0.630747484767134
Energy: 0.5503827900611619
Energy: 0.6190061930953811
Energy: 0.5649946996483881
Energy: 0.6014442972470071
Energy: 0.583513332447005
Energy: 0.5461163191349452
Energy: 0.5680675390969161
Energy: 0.6189429457367565
Energy: 0.6227621603646987
Energy: 0.5652631523571251
Energy: 0.6492200899099637
Energy: 0.5796820854283253
Energy: 0.6287955177114848
Energy: 0.5989856921572819
Energy: 0.5849607552586344
Energy: 0.5952915365176528
Energy: 0.558213734841443
Energy: 0.5787580848579686
Energy: 0.5524314916317389
Energy: 0.5531322976430959
Energy: 0.584033211082707
Energy: 0.6019244814719036
Energy: 0.6058295804598995
Energy: 0.6058012164630103
Energy: 0.6161373927920213
Energy: 0.6013514107020194
Energy: 0.6046694273173867
Energy: 0.6276660583745738
Energy: 0.5835767486671185
Energy: 0.6064560117941565
Energy: 0.5784373318398962
Energy: 0.6171457860814136
Energy: 0.5968515550186646
Energy: 0.5787879315272366
Energy: 0.6095013758754114
Energy: 0.5998123682688058
Energy: 0.6224789959014497
Energy: 0.5892083281015811
Energy: 0.5831361115274705
Energy: 0.6191465979155379
Energy: 0.5435453055151386
Energy: 0.6438521818574613
Energy: 0.5605816705405681
Energy: 0.5980766054080693
Energy: 0.5687619264302061
Energy: 0.5956040357536181
Energy: 0.5717065194930787
Energy: 0.5379927284732444
Energy: 0.5830718781879629
Energy: 0.5531408889225857
Energy: 0.5801351196973116
Energy: 0.5836344207788465
Energy: 0.618568290864755
Energy: 0.568991042396386
Energy: 0.6119312198324215
Energy: 0.5903261238104408
Energy: 0.5717372333599863
Energy: 0.6098047152761403
Energy: 0.5854210345287242
Energy: 0.6067200615957831
Energy: 0.5529371408436718
Energy: 0.566661257184341
Energy: 0.5803874998897705
Energy: 0.6021673146958884
Energy: 0.5931597943062595
Energy: 0.5777455723739299
Energy: 0.5919470407975068
Energy: 0.5973332402672105
Energy: 0.5592248142374159
Energy: 0.61872797528557
Energy: 0.5893251602442824
Energy: 0.6254239473320619
Energy: 0.5636523829299263
Energy: 0.6234901477416739
Energy: 0.6044615562313683
Energy: 0.570269481654135
Energy: 0.6134220557296427
Energy: 0.5643381771090179
Energy: 0.6000130187684874
Energy: 0.5731828319286368
Energy: 0.6160476389649769
Energy: 0.6354926646616543
Energy: 0.5674801713785931
Energy: 0.6461216701483368
Energy: 0.5752022987930875
Energy: 0.6001312236693641
Energy: 0.5854047879111762
Energy: 0.5834592736642006
Energy: 0.5799712546116748
Energy: 0.5532357152745214
Energy: 0.6043975572407282
Energy: 0.5687952769607953
Energy: 0.5611456198820428
Energy: 0.5721525761291595
Energy: 0.6451924838770416
Energy: 0.5758386101804454
Energy: 0.565161416106084
Energy: 0.6105787916318857
Energy: 0.586769908768931
Energy: 0.6005192757798049
Energy: 0.5895448159274728
Energy: 0.5987737160480436
Energy: 0.6032974728310867
Energy: 0.5782459585456282
Energy: 0.5892798343130359

minimum gb energy = 0.5379927284732444 eV
minimum distance =  2.53567562520255 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.517849472613736
Energy: 0.6976538396618294
Energy: 0.5615864103255794
Energy: 0.6209380558283958
Energy: 0.5784807255631437
Energy: 0.5787545439281144
Energy: 0.5065046111371787
Energy: 0.5316962913874501
Energy: 0.5669264926707721
Energy: 0.5759512708852726
Energy: 0.5695234841661856
Energy: 0.5772574128953804
Energy: 0.5336074371955337
Energy: 0.7038657603851237
Energy: 0.5316960225035784
Energy: 0.5450359520814522
Energy: 0.572684176072072
Energy: 0.5886419021950503
Energy: 0.5755628335958851
Energy: 0.5326600753169156
Energy: 0.5349420947438447
Energy: 0.5483354315288405
Energy: 0.5793457407809147
Energy: 0.5845951553984112
Energy: 0.5854547067793937
Energy: 0.5916544833970991
Energy: 0.5787294055884868
Energy: 0.6392325408332725
Energy: 0.5447366078171257
Energy: 0.5548682952654095
Energy: 0.5735201160744705
Energy: 0.5617826776717735
Energy: 0.6360618383343939
Energy: 0.5902836980287091
Energy: 0.5318063980173424
Energy: 0.49710022228633843
Energy: 0.5534697524878901
Energy: 0.5505581909093891
Energy: 0.593105728405627
Energy: 0.5804622204560732
Energy: 0.5324913635868744
Energy: 0.5321431231843109
Energy: 0.5448100877385789
Energy: 0.5537163613723869
Energy: 0.5492237544133304
Energy: 0.7098948849827363
Energy: 0.5072559622960479
Energy: 0.5080578103714104
Energy: 0.5424438154441211
Energy: 0.4959964900464762
Energy: 0.5797217531614569
Energy: 0.6830607861444348
Energy: 0.5923005877527908
Energy: 0.5930384159749656
Energy: 0.5792512600425256
Energy: 0.5324085855402508
Energy: 0.4967302641765149
Energy: 0.5795452606313622
Energy: 0.6813107399065184
Energy: 0.552193548564092
Energy: 0.5694035967974459
Energy: 0.5796541025245924
Energy: 0.5323463353088583
Energy: 0.5838313921801066
Energy: 0.5857384058535986
Energy: 0.5782963825357819
Energy: 0.5933300349200032
Energy: 0.5760525050405486
Energy: 0.5325509679552858
Energy: 0.5324511026249337
Energy: 0.5440205034697523
Energy: 0.5497659847094295
Energy: 0.5794981470179633
Energy: 0.5456393201407245
Energy: 0.5784362321552012
Energy: 0.546569663033746
Energy: 0.577207674316941
Energy: 0.5481921246504913
Energy: 0.557792370261985
Energy: 0.5765881645181291
Energy: 0.569866022587954
Energy: 0.5704798859156596
Energy: 0.5700723797687104
Energy: 0.547391688598579
Energy: 0.5092252438970757
Energy: 0.5768519300795226
Energy: 0.6071207407372771
Energy: 0.5813798464117849
Energy: 0.5919257589985519
Energy: 0.5759515768554074
Energy: 0.5322123024022063
Energy: 0.5698834045458758
Energy: 0.5450587779502283
Energy: 0.5638848066918664
Energy: 0.6389761579813795
Energy: 0.5067240645610958
Energy: 0.5068001886074818
Energy: 0.5431841679515217
Energy: 0.4967629861402052
Energy: 0.5850855818309413
Energy: 0.5493232296880207
Energy: 0.6448961291656694
Energy: 0.5067617044432785
Energy: 0.4971136845176374
Energy: 0.5334220642905106
Energy: 0.5178882001050066
Energy: 0.5776841555763239
Energy: 0.5486673467695032
Energy: 0.5621111691628161
Energy: 0.5788236378901205
Energy: 0.5799667494896772
Energy: 0.506595274632778
Energy: 0.5317112325514624
Energy: 0.5680314113500078
Energy: 0.5758340463988205
Energy: 0.5697379740039492
Energy: 0.5773873169541598
Energy: 0.5333045000631325
Energy: 0.6895051203333699
Energy: 0.5330523598243218
Energy: 0.5450244967088564
Energy: 0.5726774694532835
Energy: 0.5881927279280177
Energy: 0.5756195601247477
Energy: 0.5326181484704455
Energy: 0.534292099043708
Energy: 0.5480711074648891
Energy: 0.5786688826862619
Energy: 0.5767295495391052
Energy: 0.5782301053075162
Energy: 0.5917422967037956
Energy: 0.5776886508618573
Energy: 0.638929542188995
Energy: 0.5448765169914551
Energy: 0.5544806248639451
Energy: 0.5726199665404276
Energy: 0.5618885873048394
Energy: 0.6362825344964791
Energy: 0.5927139266661478
Energy: 0.5320976392707932
Energy: 0.49683545816278574
Energy: 0.5540303738522356
Energy: 0.5505016773887721
Energy: 0.5932426608886002
Energy: 0.5812717194098972
Energy: 0.49752029772647416
Energy: 0.532291932288631
Energy: 0.5676073013663553
Energy: 0.552220377924866
Energy: 0.5495916078526757
Energy: 0.6411467610368446
Energy: 0.5078873371543283
Energy: 0.5082930001665892
Energy: 0.5424959091315177
Energy: 0.49643960685017746
Energy: 0.5820056761840545
Energy: 0.6867584806337516
Energy: 0.5948489359127822
Energy: 0.5925921424244585
Energy: 0.5804547028156009
Energy: 0.5324334446802275
Energy: 0.49692398349559497
Energy: 0.579631552647227
Energy: 0.6811688724391728
Energy: 0.55202949096239
Energy: 0.5696716148582951
Energy: 0.5792456907868658
Energy: 0.5321729065535024
Energy: 0.5839315672260877
Energy: 0.5562689035452631
Energy: 0.5785494407939762
Energy: 0.5931178510031283
Energy: 0.576015915643836
Energy: 0.5326210245168054
Energy: 0.5325131436018337
Energy: 0.5437654608481641
Energy: 0.549946130960425
Energy: 0.5870537906030407
Energy: 0.5458644131301974
Energy: 0.5807145928531182
Energy: 0.5785925823740601
Energy: 0.576799834160313
Energy: 0.5511147261949826
Energy: 0.5551892068367935
Energy: 0.576020686246685
Energy: 0.5693766894987405
Energy: 0.5683555609949046
Energy: 0.569944965568879
Energy: 0.5482331686869986
Energy: 0.5092495491631663
Energy: 0.5768706386860535
Energy: 0.6074720467029018
Energy: 0.581389491832304
Energy: 0.5918112154688395
Energy: 0.5756199854012767
Energy: 0.5322974154360326
Energy: 0.5691494644690565
Energy: 0.5449357308034138
Energy: 0.5638142951764318
Energy: 0.6394661792796287
Energy: 0.5068498386864592
Energy: 0.4964907493315006
Energy: 0.5431593742603146
Energy: 0.49683910624068495
Energy: 0.5852432382154124
Energy: 0.5492076502310294
Energy: 0.5923040475906226
Energy: 0.5067503024752553
Energy: 0.49740471030573696
Energy: 0.5332992665912176

minimum gb energy = 0.4959964900464762 eV
minimum distance =  2.57078499387542 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6519991538319254
Energy: 0.7670255308126114
Energy: 0.5568526261419323
Energy: 0.726775946431552
Energy: 0.567041417044369
Energy: 0.5682101315891924
Energy: 0.6602340839423825
Energy: 0.5336955809062184
Energy: 0.5846702450574016
Energy: 0.6542433582541841
Energy: 0.6595033245845351
Energy: 0.6823695813456558
Energy: 0.6706277044366851
Energy: 0.5991115923446279
Energy: 0.5669625185600191
Energy: 0.605297699026074
Energy: 0.5676139441704152
Energy: 0.5898547723686357
Energy: 0.5202870911544221
Energy: 0.6043786271010295
Energy: 0.6201145748960826
Energy: 0.6584430431170748
Energy: 0.6612431333343953
Energy: 0.5551311285428384
Energy: 0.5914463671194882
Energy: 0.5808253917890356
Energy: 0.527444853997325
Energy: 0.6177589676455617
Energy: 0.5178152281601661
Energy: 0.5590355798932598
Energy: 0.539752142930226
Energy: 0.5425450841526771
Energy: 0.5295174055859067
Energy: 0.5362560755413466
Energy: 0.5656892782848164
Energy: 0.5034548698324686
Energy: 0.5411026128806656
Energy: 0.5354326626413596
Energy: 0.6478312940122782
Energy: 0.5587566666798717
Energy: 0.5123627075989845
Energy: 0.5618957254088345
Energy: 0.5156297265888469
Energy: 0.6031670947847211
Energy: 0.5283533669103253
Energy: 0.5399984225390533
Energy: 0.5051019806729146
Energy: 0.5047806102624781
Energy: 0.5530406999747979
Energy: 0.5685821223469097
Energy: 0.5408219995512745
Energy: 0.5623860595659215
Energy: 0.5648751639361308
Energy: 0.5614049220213825
Energy: 0.5134962684639768
Energy: 0.5505014505375851
Energy: 0.5281269353357795
Energy: 0.5487623156516805
Energy: 0.6188208839472376
Energy: 0.6420043910952166
Energy: 0.6720085113419401
Energy: 0.5805025262858563
Energy: 0.5367692662583119
Energy: 0.6626918674024495
Energy: 0.5920077059646663
Energy: 0.5370846843342144
Energy: 0.6343016183754829
Energy: 0.5202823613583466
Energy: 0.5273268719089008
Energy: 0.6579062887185422
Energy: 0.5276454452080742
Energy: 0.6155344479984294
Energy: 0.5449860266936319
Energy: 0.6360187460555556
Energy: 0.5298504595850371
Energy: 0.5066713926743435
Energy: 0.6269726174206034
Energy: 0.5278121888977474
Energy: 0.6783363562146079
Energy: 0.6621916417676471
Energy: 0.659467838395057
Energy: 0.6441237138203898
Energy: 0.6479366940525209
Energy: 0.5988043880687031
Energy: 0.6443835156939184
Energy: 0.5959714785702442
Energy: 0.6145595318098073
Energy: 0.6333099434212469
Energy: 0.6076286750652703
Energy: 0.5517233715387744
Energy: 0.6443780870427913
Energy: 0.5067196178061484
Energy: 0.5829740752499447
Energy: 0.544875179454243
Energy: 0.5764642491625019
Energy: 0.6239865633681987
Energy: 0.574089501430182
Energy: 0.7018391455438779
Energy: 0.5403182781552784
Energy: 0.6227328708354274
Energy: 0.601470745187393
Energy: 0.5460812579468999
Energy: 0.5183213573239319
Energy: 0.6578519423377762
Energy: 0.7114382736613001
Energy: 0.6584622519701016
Energy: 0.5490721125841266
Energy: 0.599008167177627
Energy: 0.5654055464297666
Energy: 0.5816674013300461
Energy: 0.558655821109486
Energy: 0.6162999056752333
Energy: 0.5280828810170819
Energy: 0.5628876687752685
Energy: 0.5414270673398884
Energy: 0.5573649140971334
Energy: 0.5264584387071514
Energy: 0.5350149201264554
Energy: 0.5692249115896746
Energy: 0.5043466381752587
Energy: 0.5565804539226529
Energy: 0.6074752529496017
Energy: 0.5887250364746601
Energy: 0.5597483008702924
Energy: 0.5129916152629163
Energy: 0.5391121305127831
Energy: 0.5069184635331432
Energy: 0.5156876541282772
Energy: 0.5429425833565471
Energy: 0.5677316757848934
Energy: 0.5039897868041493
Energy: 0.5063781531095723
Energy: 0.5682819376554995
Energy: 0.5287653051706115
Energy: 0.5332147515221349
Energy: 0.5649365355223821
Energy: 0.5672891705441406
Energy: 0.5593311527950291
Energy: 0.5180015807017476
Energy: 0.550990770699333
Energy: 0.5274530375518577
Energy: 0.5708940966891726
Energy: 0.5580811573966991
Energy: 0.628369637185197
Energy: 0.5275292260224164
Energy: 0.5919238723465495
Energy: 0.684549790995781
Energy: 0.60700331060608
Energy: 0.5659814302392596
Energy: 0.5372603613290875
Energy: 0.5636312829350449
Energy: 0.6027913544463193
Energy: 0.5283365299761672
Energy: 0.6118679323399475
Energy: 0.5958829761273046
Energy: 0.5486862002777856
Energy: 0.5462965504154532
Energy: 0.6360237007936491
Energy: 0.6068913739459282
Energy: 0.5766375122891458
Energy: 0.6072897396257523
Energy: 0.567518164473329
Energy: 0.6331816682715466
Energy: 0.5956135733815686
Energy: 0.5394462824421888
Energy: 0.6608504192600549
Energy: 0.647854381082414
Energy: 0.6304528060782097
Energy: 0.5067225220698894
Energy: 0.5831853523214007
Energy: 0.6305254434865082
Energy: 0.6441972230514527
Energy: 0.5305487238947503
Energy: 0.5741945622036441
Energy: 0.6076306579546816

minimum gb energy = 0.5034548698324686 eV
minimum distance =  2.5629970313003 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.6491640193700482
Energy: 0.7603915157731542
Energy: 0.7071231490865498
Energy: 0.7117654263365949
Energy: 0.6694289389165989
Energy: 0.6373503999260287
Energy: 0.7374073874442725
Energy: 0.6670168722859005
Energy: 0.719816707863747
Energy: 0.6876550617180621
Energy: 0.7096457826840162
Energy: 0.7129864925786248
Energy: 0.699166228940631
Energy: 0.7544610167239706
Energy: 0.6694371892669043
Energy: 0.7497297337316667
Energy: 0.6556223963108292
Energy: 0.6715223384827482
Energy: 0.7103118728450445
Energy: 0.6579626718520319
Energy: 0.70055869658791
Energy: 0.6523299908363457
Energy: 0.6741173688755723
Energy: 0.6458940190200813
Energy: 0.6487035386991269
Energy: 0.6443528505608541
Energy: 0.6410601558903885
Energy: 0.7059229020203817
Energy: 0.6417660252613162
Energy: 0.716329965079959
Energy: 0.6618022439044244
Energy: 0.6877995799792431
Energy: 0.6398423340494838
Energy: 0.6515276437575289
Energy: 0.665284299454978
Energy: 0.5694030835901472
Energy: 0.644159932227898
Energy: 0.616839768031118
Energy: 0.6566006985127321
Energy: 0.5979405636081289
Energy: 0.6029988593834879
Energy: 0.6364537297518815
Energy: 0.6517855834272716
Energy: 0.6551799427918911
Energy: 0.6376959575437061
Energy: 0.6273444770003558
Energy: 0.628204533386833
Energy: 0.6124778999729809
Energy: 0.6587492610485728
Energy: 0.5957075633213781
Energy: 0.6142056021511981
Energy: 0.6230132518334517
Energy: 0.6472291416946847
Energy: 0.6638515176985871
Energy: 0.6450746513082057
Energy: 0.6188210455562261
Energy: 0.6184672940790311
Energy: 0.6534001961697933
Energy: 0.6288188818653617
Energy: 0.5902812925646105
Energy: 0.6080885609144191
Energy: 0.6139556365701967
Energy: 0.6055915048394122
Energy: 0.6294802469023825
Energy: 0.6857738812329607
Energy: 0.626155618784657
Energy: 0.6300240890910623
Energy: 0.6738010277622796
Energy: 0.6107950610634448
Energy: 0.6222255815277717
Energy: 0.6319219323933859
Energy: 0.6374486780383959
Energy: 0.6651305564577998
Energy: 0.5967767454432261
Energy: 0.6477066962778475
Energy: 0.5972200445331945
Energy: 0.6249841924946241
Energy: 0.6688970577060949
Energy: 0.5605420960829198
Energy: 0.6615537364301246
Energy: 0.6456633316886153
Energy: 0.6039619992006685
Energy: 0.6262726042888027
Energy: 0.5996341199154535
Energy: 0.6114409868470665
Energy: 0.6077485844106315
Energy: 0.6134144139388439
Energy: 0.6405536294105381
Energy: 0.6692450921778863
Energy: 0.6215583593378217
Energy: 0.6105769453629126
Energy: 0.6602422781170988
Energy: 0.606080669087113
Energy: 0.5676721231230888
Energy: 0.6601628140349318
Energy: 0.6673023673097735
Energy: 0.5916611077259726
Energy: 0.6366404830709469
Energy: 0.5885951936973002
Energy: 0.6679015339245669
Energy: 0.6193453440543816
Energy: 0.6492450085576682
Energy: 0.5811863515352764
Energy: 0.5824616949286271
Energy: 0.6154524199624317
Energy: 0.6391544315124431
Energy: 0.6606812577640762
Energy: 0.6332514014031505
Energy: 0.6103687861629324
Energy: 0.6212884256634617
Energy: 0.6370411031729825
Energy: 0.6643223268676032
Energy: 0.6412927456159349
Energy: 0.707158841996736
Energy: 0.6084530386426891
Energy: 0.6386371947413298
Energy: 0.6454411315203422
Energy: 0.6363768117581331
Energy: 0.6786374388477944
Energy: 0.6044923121972781
Energy: 0.675971521399039
Energy: 0.6108137010866043
Energy: 0.655526182386791
Energy: 0.6597086914857752
Energy: 0.6550324791842532
Energy: 0.690777321958285
Energy: 0.6726052301377593
Energy: 0.7298655035569332
Energy: 0.6813758874379632
Energy: 0.7170187157413029
Energy: 0.7402600235176473
Energy: 0.7347956124364864
Energy: 0.7265944065591956
Energy: 0.6527654876697997
Energy: 0.7518315496589567
Energy: 0.6559732971662952
Energy: 0.7166366945410558
Energy: 0.6458551422853324
Energy: 0.6395346007803878
Energy: 0.6615909631959144
Energy: 0.6716621766785634
Energy: 0.7497236383531539
Energy: 0.6551946526135735
Energy: 0.7158242990823187
Energy: 0.6850263297750655
Energy: 0.6469476968657515
Energy: 0.7537132511692537
Energy: 0.6681014476488827
Energy: 0.7247880127460501
Energy: 0.6573438614069158
Energy: 0.7289459596483027
Energy: 0.6847299711402767
Energy: 0.6453534000521672
Energy: 0.754241533423531
Energy: 0.6485391166282805
Energy: 0.6861278400653049
Energy: 0.6953298515279897
Energy: 0.7121718983035397
Energy: 0.6710167417937574
Energy: 0.6378164423166661
Energy: 0.7334682280048261
Energy: 0.7078588974508304
Energy: 0.6891860231824057
Energy: 0.7029144874534052
Energy: 0.6973269035310429
Energy: 0.7340356106330804
Energy: 0.6878144767542719
Energy: 0.7685383991439383
Energy: 0.608461162678993
Energy: 0.7509951210956118
Energy: 0.655460882414645
Energy: 0.6998350406269028
Energy: 0.6626273107400181
Energy: 0.6547772106914673
Energy: 0.7003652644196378
Energy: 0.652143420399247
Energy: 0.7202598800810346
Energy: 0.6459767723170157
Energy: 0.6674674498761092
Energy: 0.6465514775153298
Energy: 0.6420051207406263
Energy: 0.7069505884967838
Energy: 0.6566562293882474
Energy: 0.7175807328809979
Energy: 0.6552983986345234
Energy: 0.6781492088874601
Energy: 0.6821744301609907
Energy: 0.6510000663883697
Energy: 0.6664754556078638
Energy: 0.5689180150154902
Energy: 0.6720259465520917
Energy: 0.6457149985529892
Energy: 0.6552668261400353
Energy: 0.5983275722021208
Energy: 0.6034466452103739
Energy: 0.6482966128407754
Energy: 0.651867167262051
Energy: 0.6568924052009393
Energy: 0.5821789144979345
Energy: 0.6502695152555793
Energy: 0.6323787212697951
Energy: 0.6154850177978721
Energy: 0.6649537203476118
Energy: 0.6456039344653125
Energy: 0.6120489743101309
Energy: 0.614363474928814
Energy: 0.6620832734398154
Energy: 0.6633520739126691
Energy: 0.6148017994548336
Energy: 0.6175587239904375
Energy: 0.5597529556353197
Energy: 0.6038539652851833
Energy: 0.6409338451011083
Energy: 0.5907124993447823
Energy: 0.6104435287914909
Energy: 0.6626027812795918
Energy: 0.6048006880669431
Energy: 0.6649500333891517
Energy: 0.6860822517948705
Energy: 0.6668771241332558
Energy: 0.630391940984145
Energy: 0.5965981850679476
Energy: 0.6460929960013677
Energy: 0.6267184631519308
Energy: 0.6309434065819746
Energy: 0.637202478066908
Energy: 0.6437397515178633
Energy: 0.5993974417284748
Energy: 0.6589022371353397
Energy: 0.6281496393280162
Energy: 0.6254018299774348
Energy: 0.555313369147898
Energy: 0.5692424771716408
Energy: 0.6624650435226437
Energy: 0.6446111071728481
Energy: 0.6134035630395894
Energy: 0.6129323627540404
Energy: 0.6497945385121262
Energy: 0.6087588743746996
Energy: 0.6066549135826929
Energy: 0.628350053757918
Energy: 0.625285202342667
Energy: 0.6067415620819411
Energy: 0.6396922381991869
Energy: 0.6056019467289319
Energy: 0.6587719344055247
Energy: 0.6057166149501038
Energy: 0.5682165180572821
Energy: 0.6496954141188516
Energy: 0.6700797187661263
Energy: 0.5873587558722356
Energy: 0.6352491281170657
Energy: 0.5808600921859741
Energy: 0.6684965434758585
Energy: 0.6177262997734442
Energy: 0.6184825337353591
Energy: 0.5811913713489539
Energy: 0.5825746754411248
Energy: 0.6589057874729984
Energy: 0.6400195154282792
Energy: 0.6649429308727604
Energy: 0.6351156102268655
Energy: 0.6441985442857268
Energy: 0.6399404617374767
Energy: 0.6375673635542809
Energy: 0.6626250984449682
Energy: 0.6407018948129592
Energy: 0.7044876674597889
Energy: 0.6082218836274352
Energy: 0.673899330391433
Energy: 0.6364633590688111
Energy: 0.6054291065232503
Energy: 0.6778288079497525
Energy: 0.6053720937247439
Energy: 0.6879432478847471
Energy: 0.6129345004172685
Energy: 0.6527327155763748
Energy: 0.6960717983918607
Energy: 0.6558703442845691
Energy: 0.6683090567188938
Energy: 0.6731956093525071
Energy: 0.728831870226112
Energy: 0.6889829252649131
Energy: 0.7303612602496318
Energy: 0.7142814722475198
Energy: 0.7032050926882987
Energy: 0.7262568211992159
Energy: 0.6551193795620632
Energy: 0.7156084319309503
Energy: 0.6575114969944295
Energy: 0.6990010098712571
Energy: 0.6448592830330048
Energy: 0.6394695867023458
Energy: 0.6598328402566405
Energy: 0.673986411832658
Energy: 0.7496024042762848
Energy: 0.6431511367960896
Energy: 0.7277322006340815
Energy: 0.6847829439575379
Energy: 0.6480233349028114
Energy: 0.7542233676757953
Energy: 0.6670454641540126
Energy: 0.6960477043985895
Energy: 0.6705620392943619
Energy: 0.7409442032179258
Energy: 0.6847302087160719
Energy: 0.6476444469024959
Energy: 0.7532009461456411
Energy: 0.6469198413038377
Energy: 0.684936180123904
Energy: 0.6959660010428403
Energy: 0.7107860109431221
Energy: 0.6720783666945159
Energy: 0.6389019312232994
Energy: 0.7090397449117812

minimum gb energy = 0.555313369147898 eV
minimum distance =  2.49661959582987 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.5946575677505166
Energy: 0.7004842990434172
Energy: 0.5920301305433958
Energy: 0.593351229091534
Energy: 0.5926231944193667
Energy: 0.5916209800405711
Energy: 0.5937465250875933
Energy: 0.5543825781228895
Energy: 0.6969685161190601
Energy: 0.5568689949870652
Energy: 0.5346202769179884
Energy: 0.5551985225460052
Energy: 0.5579535491620559
Energy: 0.7027583108058777
Energy: 0.5532166255538652
Energy: 0.7285608560229877
Energy: 0.5567274638700198
Energy: 0.5537982957838308
Energy: 0.554424053021801
Energy: 0.5579449164399467
Energy: 0.566063540399023
Energy: 0.5538127029414665
Energy: 0.7307704995636157
Energy: 0.557343302651011
Energy: 0.593834917189937
Energy: 0.553756765270748
Energy: 0.5588652605833967
Energy: 0.5914879054407556
Energy: 0.5607861682183665
Energy: 0.6967694003589897
Energy: 0.5618303942672804
Energy: 0.6985329254553783
Energy: 0.5336308291888431
Energy: 0.5624639275153069
Energy: 0.7018307287865789
Energy: 0.5546940291132378
Energy: 0.7319906468958073
Energy: 0.5549960006407617
Energy: 0.5936398496317652
Energy: 0.5929700372918767
Energy: 0.5921133222812457
Energy: 0.5940429982065994
Energy: 0.5535177339447216
Energy: 0.7318480109196286
Energy: 0.5563708164637271
Energy: 0.5544457343495731
Energy: 0.5545259852242546
Energy: 0.5578954272850104
Energy: 0.697678857795371
Energy: 0.5530432788818721
Energy: 0.731052052385304
Energy: 0.5563164635395139
Energy: 0.5540858035662298
Energy: 0.5546003452795926
Energy: 0.5576994101865618
Energy: 0.7327893895395163
Energy: 0.5543606426648787
Energy: 0.7311481403684423
Energy: 0.5591100470711328
Energy: 0.593395601284021
Energy: 0.5935154290130658
Energy: 0.5569779617040697
Energy: 0.5917352975156803
Energy: 0.5605085480764439
Energy: 0.6972920062679326
Energy: 0.5615510826693993
Energy: 0.6983904681527351
Energy: 0.6975654729748132
Energy: 0.5621634190677901
Energy: 0.7017373799088801
Energy: 0.5546707357737877
Energy: 0.7307921962040898
Energy: 0.5582590272203627
Energy: 0.593454920058195
Energy: 0.593873366512512
Energy: 0.5598451470490167
Energy: 0.591723067134821
Energy: 0.5529944370110887
Energy: 0.7308672128391761
Energy: 0.5564413425753258
Energy: 0.5544965042099864
Energy: 0.5537907270582345
Energy: 0.5577248767859825
Energy: 0.7322511240951796
Energy: 0.5537378042385119
Energy: 0.7334832906858321
Energy: 0.5565314719571952
Energy: 0.5550641549187129
Energy: 0.5552091874145217
Energy: 0.557995487354327
Energy: 0.7014906347019627
Energy: 0.5548755076568352
Energy: 0.7325418773953275
Energy: 0.5923560173223804
Energy: 0.5930076636906274
Energy: 0.5927608724074299
Energy: 0.5917973124197002
Energy: 0.5938609684395475
Energy: 0.560969206350459
Energy: 0.703217158683961
Energy: 0.5621623788139378
Energy: 0.5338445175953273
Energy: 0.5555349107336556
Energy: 0.5547171815842998
Energy: 0.7024254932201783
Energy: 0.5534178275705383
Energy: 0.730531443566552
Energy: 0.5571317345667534
Energy: 0.5923542590123232
Energy: 0.5536481976027399
Energy: 0.5583359595040505
Energy: 0.5664728664234991
Energy: 0.5533422304242314
Energy: 0.7302562986823048
Energy: 0.5568359769115704
Energy: 0.5533447475207761
Energy: 0.5542397624687627
Energy: 0.5582462732334754
Energy: 0.5913311104598057
Energy: 0.5612019740637758
Energy: 0.7024806916251803
Energy: 0.5573101724170175
Energy: 0.5555212000382389
Energy: 0.5341820418097156
Energy: 0.5547089114085255
Energy: 0.7026376820998242
Energy: 0.5546110067423872
Energy: 0.7326146205298918
Energy: 0.5920905264033036
Energy: 0.5936192102281848
Energy: 0.5927315270623383
Energy: 0.5917294931765326
Energy: 0.5938911780770592
Energy: 0.5540974253424361
Energy: 0.7027492470274174
Energy: 0.55680081048313
Energy: 0.5351346043530381
Energy: 0.5550836337844954
Energy: 0.5580132159894851
Energy: 0.6975677295786167

minimum gb energy = 0.5336308291888431 eV
minimum distance =  2.52196852036481 Angstroms
sigma value = 23