Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
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: 0.010444204479035324
Energy: 0.010953100607633671
Energy: 0.4592285525774295
Energy: 0.01095310060813784
Energy: 0.010953100607633671
Energy: 0.413143754986182
Energy: 0.01095310060813784
Energy: 0.413143754986182
Energy: 0.45922855257793366
Energy: 0.010953100607633671
Energy: 0.010444204479035324
Energy: 0.010953100607633671
Energy: 0.010953100607633671
Energy: 0.413143754986182
Energy: 0.01095310060813784
Energy: 0.413143754986182

minimum gb energy = 0.010444204479035324 eV
minimum distance =  2.7887406907512 Angstroms
sigma value = 1


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

Energy: 0.5225170266220145
Energy: 0.5243071536621623
Energy: 0.5345742402945644
Energy: 0.5243071536627738
Energy: 0.5060711915595406
Energy: 0.5264739472075654
Energy: 0.5083903951435065
Energy: 0.5264739472075654
Energy: 0.4887531108549735
Energy: 0.513593348188357
Energy: 0.5153072176542515
Energy: 0.5135933481889684
Energy: 0.5036077741905771
Energy: 0.5384790134316446
Energy: 0.4940817268058158
Energy: 0.5384790134316446
Energy: 0.5035117956791958
Energy: 0.5286938943843896
Energy: 0.5148106031954967
Energy: 0.5286938943843896
Energy: 0.49236591510323563
Energy: 0.5863260168560305
Energy: 0.48386416501147056
Energy: 0.5863260168554191
Energy: 0.5263981444023471
Energy: 0.5137716987715123
Energy: 0.49239045471714893
Energy: 0.513771698770901
Energy: 0.4785722601047919
Energy: 0.5280859958647158
Energy: 0.47944239269191125
Energy: 0.5280859958647158
Energy: 0.4937586633312081
Energy: 0.5981005617414408
Energy: 0.5606654170978237
Energy: 0.5981005617420521
Energy: 0.48578951726985253
Energy: 0.5129253722387738
Energy: 0.47121805695265057
Energy: 0.5129253722387738
Energy: 0.5054879729184367
Energy: 0.5229208690920278
Energy: 0.49367200510322184
Energy: 0.5229208690926116
Energy: 0.5197059513896867
Energy: 0.5284825762326885
Energy: 0.4979993534545899
Energy: 0.5284825762326885
Energy: 0.5185053117707088
Energy: 0.5116965888050444
Energy: 0.5265114580718536
Energy: 0.5116965888056559
Energy: 0.514537294280871
Energy: 0.522708291876489
Energy: 0.49303941545652613
Energy: 0.5227082918771004
Energy: 0.49499619351530366
Energy: 0.5247548413427964
Energy: 0.49507853954800735
Energy: 0.5247548413421849
Energy: 0.49921857475058934
Energy: 0.5248770192758377
Energy: 0.5097732550544625
Energy: 0.5248770192764493
Energy: 0.5153747774039934
Energy: 0.5135493230364959
Energy: 0.4820969826091583
Energy: 0.5135493230371074
Energy: 0.508487889897583
Energy: 0.5149431695843255
Energy: 0.5211921844601236
Energy: 0.5149431695855207
Energy: 0.4941935372623347
Energy: 0.5269267462884635
Energy: 0.5033140451092177
Energy: 0.526926746287852
Energy: 0.5694930485270048
Energy: 0.5874180611730616
Energy: 0.4946928332591818
Energy: 0.587418061174896
Energy: 0.483443623547933
Energy: 0.5134862747185066
Energy: 0.47289181939313857
Energy: 0.5134862747197295
Energy: 0.49392555021794243
Energy: 0.5816143829215092
Energy: 0.5633544712704942
Energy: 0.5816143829208978
Energy: 0.5620448861450125
Energy: 0.5289044289617445
Energy: 0.48277497652303103
Energy: 0.528904428962356
Energy: 0.5353487160655166
Energy: 0.513631526587076
Energy: 0.4923050084227978
Energy: 0.5136315265864645
Energy: 0.4924792319410924
Energy: 0.5858672265319592
Energy: 0.5725036929184608
Energy: 0.5858672265325706
Energy: 0.5038297653301038
Energy: 0.5287134785581163
Energy: 0.4933846565674421
Energy: 0.5287134785581163
Energy: 0.5003000590367682
Energy: 0.5959985731135682
Energy: 0.4935792626377409
Energy: 0.5959985731141797
Energy: 0.4881477802488021
Energy: 0.5116463794940372
Energy: 0.516841776700229
Energy: 0.511646379493426
Energy: 0.5054660200482504
Energy: 0.5155314292469242
Energy: 0.4941014039563543
Energy: 0.5155314292463128
Energy: 0.534183526822901
Energy: 0.52500730452207
Energy: 0.5181340332174583
Energy: 0.5250073045214585
Energy: 0.5023968290922732
Energy: 0.5197552238127786
Energy: 0.5076229879353076
Energy: 0.5197552238133901
Energy: 0.4945298771246931
Energy: 0.5159183685118515
Energy: 0.5141828531508773
Energy: 0.5159183685106287
Energy: 0.5035709862626293
Energy: 0.5388448637528364
Energy: 0.4960926488031121
Energy: 0.5388448637540593

minimum gb energy = 0.47121805695265057 eV
minimum distance =  2.59885844728632 Angstroms
sigma value = 1


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

Energy: 0.568373159527344
Energy: 0.5625665396241701
Energy: 0.533712942732461
Energy: 0.5625665396234728
Energy: 0.513619113992861
Energy: 0.5434238312523707
Energy: 0.5160921776757478
Energy: 0.5434238312516736
Energy: 0.5038871074980555
Energy: 0.5634455354901825
Energy: 0.5309263331449385
Energy: 0.5634455354922738
Energy: 0.5049046436575144
Energy: 0.5098555687115057
Energy: 0.5068315805924931
Energy: 0.5098555687101115
Energy: 0.5051271963863933
Energy: 0.5443574425981041
Energy: 0.551862771212447
Energy: 0.5443574425967097
Energy: 0.5504180851061292
Energy: 0.5443154033620247
Energy: 0.49698060375702974
Energy: 0.5443154033655104
Energy: 0.5629305629842706
Energy: 0.5888645238831632
Energy: 0.4993036157265666
Energy: 0.5888645238789803
Energy: 0.4853716020041615
Energy: 0.5635227766667272
Energy: 0.4970341262981156
Energy: 0.5635227766688187
Energy: 0.5039608119739659
Energy: 0.5188666800753223
Energy: 0.5288330689264396
Energy: 0.5188666801094513
Energy: 0.5008700507092219
Energy: 0.5635676339542375
Energy: 0.5301202464142944
Energy: 0.5635676339521462
Energy: 0.5165499885270108
Energy: 0.5312204905176086
Energy: 0.516152880357743
Energy: 0.5312204905169116
Energy: 0.4948439610269142
Energy: 0.5526553284264293
Energy: 0.5309345789391385
Energy: 0.5526553284250667
Energy: 0.5171915090163817
Energy: 0.541890762375333
Energy: 0.5096897592045266
Energy: 0.5418907623760302
Energy: 0.5172217217447721
Energy: 0.5417925102690458
Energy: 0.5109943148695756
Energy: 0.5417925102676516
Energy: 0.4949184399945834
Energy: 0.5527187537865916
Energy: 0.5308583302211668
Energy: 0.5527187537886832
Energy: 0.516802974438105
Energy: 0.5313020061342288
Energy: 0.5127528295221111
Energy: 0.5313020061321374
Energy: 0.5008277858424232
Energy: 0.5638385467551027
Energy: 0.49161151673885156
Energy: 0.5638385467571941
Energy: 0.5039456462896402
Energy: 0.5187365595384014
Energy: 0.5286975991332972
Energy: 0.5187365595370069
Energy: 0.4862957697695022
Energy: 0.5634980994994063
Energy: 0.4970602654001517
Energy: 0.5634980995021949
Energy: 0.5630005211722688
Energy: 0.5890294397036295
Energy: 0.49941982830091564
Energy: 0.5890294397015382
Energy: 0.5500870286067677
Energy: 0.5443174181306843
Energy: 0.5115802420694959
Energy: 0.5443174181279276
Energy: 0.5050034319353564
Energy: 0.5446280872125161
Energy: 0.5431268992294014
Energy: 0.544628087211819
Energy: 0.50508676000993
Energy: 0.5097062204156937
Energy: 0.49920434664660907
Energy: 0.5097062204115108
Energy: 0.503906995781485
Energy: 0.5634316651015909
Energy: 0.530918281764816
Energy: 0.5634316650974079
Energy: 0.5136615492081157
Energy: 0.5434698313362358
Energy: 0.5160266496389727
Energy: 0.5434698313348415
Energy: 0.568373159527344
Energy: 0.5625665396241701
Energy: 0.5311834220342933
Energy: 0.5625665396234728
Energy: 0.5136191139921638
Energy: 0.5434238312523707
Energy: 0.5160921776757478
Energy: 0.5434238312523707
Energy: 0.5038871074973583
Energy: 0.5634455354901825
Energy: 0.5309263331435442
Energy: 0.5634455354922738
Energy: 0.5049046436561201
Energy: 0.5098555687115057
Energy: 0.5068315805924931
Energy: 0.5098555687101115

minimum gb energy = 0.4853716020041615 eV
minimum distance =  2.5365966279517 Angstroms
sigma value = 25


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

Energy: 0.571652135373709
Energy: 0.5758120167860789
Energy: 0.5511420249191146
Energy: 0.5758120167860789
Energy: 0.5393785017077459
Energy: 0.5549831450958002
Energy: 0.5293580299496663
Energy: 0.5549831450966105
Energy: 0.5173605836946735
Energy: 0.6085767132286516
Energy: 0.5286159589809006
Energy: 0.6085767132294619
Energy: 0.51837815410433
Energy: 0.5779426641401686
Energy: 0.5207011185987881
Energy: 0.5779426641401686
Energy: 0.5226935598322648
Energy: 0.578739771414902
Energy: 0.579673001782629
Energy: 0.578739771414902
Energy: 0.5771059054252125
Energy: 0.6091073914881011
Energy: 0.6020540131863359
Energy: 0.6091073914889115
Energy: 0.5431616345107615
Energy: 0.5318310699256794
Energy: 0.5440757653866634
Energy: 0.5318310699264899
Energy: 0.612798685758423
Energy: 0.5778853764869282
Energy: 0.5147042793185367
Energy: 0.5778853764869282
Energy: 0.5442381181395692
Energy: 0.5538005879592157
Energy: 0.543594287741141
Energy: 0.5538005879592157
Energy: 0.5352778675419535
Energy: 0.6094466886057612
Energy: 0.5107419942154705
Energy: 0.6094466886065717
Energy: 0.5310961402345694
Energy: 0.5757296611905137
Energy: 0.5273741749028282
Energy: 0.5757296611913241
Energy: 0.5351020681203089
Energy: 0.5760155977623073
Energy: 0.5283496273078193
Energy: 0.5760155977614968
Energy: 0.5285486009498929
Energy: 0.572696446564309
Energy: 0.5101929703925708
Energy: 0.572696446564309
Energy: 0.5447073182302016
Energy: 0.5290951546415642
Energy: 0.5432023938560603
Energy: 0.5290951546407539
Energy: 0.5015796298024944
Energy: 0.5787012355553188
Energy: 0.5135922812241749
Energy: 0.5787012355553188
Energy: 0.5426037723148142
Energy: 0.5294389953199703
Energy: 0.5224063486173476
Energy: 0.5294389953199703
Energy: 0.4993637906200968
Energy: 0.6085491517461067
Energy: 0.49356997473558123
Energy: 0.6085491517461067
Energy: 0.5207310749823342
Energy: 0.5623284759250303
Energy: 0.5273956405248892
Energy: 0.5623284759250303
Energy: 0.5128103742432096
Energy: 0.5763979224677157
Energy: 0.5227955342556816
Energy: 0.5763979224677157
Energy: 0.5430721338179934
Energy: 0.6096779214794933
Energy: 0.5282340048894328
Energy: 0.6096779214786828
Energy: 0.5354385798910063
Energy: 0.5519826431510675
Energy: 0.5298541985172901
Energy: 0.5519826431510675
Energy: 0.5557448160588441
Energy: 0.5764682064322353
Energy: 0.566405393643073
Energy: 0.5764682064322353
Energy: 0.5387850363040463
Energy: 0.5658132827026384
Energy: 0.5280063826411571
Energy: 0.5658132827026384
Energy: 0.5161123218041598
Energy: 0.6077561646859857
Energy: 0.5352517599730573
Energy: 0.6077561646867963
Energy: 0.5277334075040023
Energy: 0.5383213167853319
Energy: 0.5202610348534172
Energy: 0.5383213167853319

minimum gb energy = 0.49356997473558123 eV
minimum distance =  2.53694103220518 Angstroms
sigma value = 9


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

Energy: 0.6068232789604204
Energy: 0.6168349687240698
Energy: 0.6404876079540145
Energy: 0.6168349687240698
Energy: 0.576161374343638
Energy: 0.5962762849219807
Energy: 0.5565833359180281
Energy: 0.5962762849200471
Energy: 0.5314280996450793
Energy: 0.5680741057804566
Energy: 0.5794212284542017
Energy: 0.5680741057794899
Energy: 0.6028767445723804
Energy: 0.624108113187879
Energy: 0.5471186640103444
Energy: 0.6241081131888457
Energy: 0.5884216489486112
Energy: 0.584646336483116
Energy: 0.5669427039675523
Energy: 0.584646336483116
Energy: 0.523186295369365
Energy: 0.5685587331344651
Energy: 0.5491572639768953
Energy: 0.5685587331354319
Energy: 0.5804566279646752
Energy: 0.534664658385893
Energy: 0.5346026299660263
Energy: 0.5346646583878266
Energy: 0.5376863811877594
Energy: 0.5684247361042942
Energy: 0.5566452929080735
Energy: 0.5684247361033273
Energy: 0.5642844504684411
Energy: 0.584918980078133
Energy: 0.6007540661047646
Energy: 0.584918980078133
Energy: 0.5632057625261129
Energy: 0.6165726587816601
Energy: 0.5622016768479436
Energy: 0.6165726587835937
Energy: 0.5315482278385973
Energy: 0.5998037789253795
Energy: 0.5643106306823323
Energy: 0.5998037789273132
Energy: 0.5771223741144689
Energy: 0.5921414237969673
Energy: 0.5470065975763905
Energy: 0.5921414237950338
Energy: 0.5172124407914543
Energy: 0.5673879859583563
Energy: 0.5069572225076695
Energy: 0.567387985959323
Energy: 0.577004708511864
Energy: 0.5607273408352232
Energy: 0.559301012058887
Energy: 0.5607273408303894
Energy: 0.5172643939141309
Energy: 0.5683351632637573
Energy: 0.5414053882273664
Energy: 0.5683351632627904
Energy: 0.6207289772063763
Energy: 0.5689495484982059
Energy: 0.5348744303485367
Energy: 0.5689495484991727
Energy: 0.5706998659754839
Energy: 0.5827233662658384
Energy: 0.5793053579158334
Energy: 0.5827233662668051
Energy: 0.5806737876228254
Energy: 0.6163406247656872
Energy: 0.5625466129274213
Energy: 0.6163406247656872
Energy: 0.5916265480158277
Energy: 0.5871823173922612
Energy: 0.5711047558401727
Energy: 0.5871823173903279
Energy: 0.5653982239601973
Energy: 0.5682580013142912
Energy: 0.5567651285017176
Energy: 0.5682580013152579
Energy: 0.5771813993597048
Energy: 0.547105392465072
Energy: 0.5472915002977173
Energy: 0.5471053924631383

minimum gb energy = 0.5069572225076695 eV
minimum distance =  2.57292531282308 Angstroms
sigma value = 25


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

Energy: 0.5584144975392193
Energy: 0.6393123751427291
Energy: 0.6172506416673641
Energy: 0.6393123751415335
Energy: 0.5296774634777228
Energy: 0.613437953516868
Energy: 0.5031857263830299
Energy: 0.6134379535156724
Energy: 0.560743816200625
Energy: 0.6670933152342841
Energy: 0.5042239965955243
Energy: 0.6670933152342841
Energy: 0.5955190060474232
Energy: 0.6291055790383954
Energy: 0.5932677499209689
Energy: 0.6291055790383954
Energy: 0.5928297021545607
Energy: 0.5202239309057743
Energy: 0.5578157435722121
Energy: 0.5202239309057743
Energy: 0.5050852737891732
Energy: 0.6646671983235182
Energy: 0.5600815693221644
Energy: 0.6646671983247138
Energy: 0.5026883370410938
Energy: 0.5918261114047872
Energy: 0.560087881292821
Energy: 0.5918261114059828
Energy: 0.6421496701680898
Energy: 0.6402819801370967
Energy: 0.5500579143735164
Energy: 0.6402819801370967
Energy: 0.5040951089948045
Energy: 0.5618479642626362
Energy: 0.5301247990270446
Energy: 0.5618479642626362
Energy: 0.6347120555810937
Energy: 0.5913152736507524
Energy: 0.5599781016935997
Energy: 0.5913152736471655
Energy: 0.5233814572684905
Energy: 0.6230070462202465
Energy: 0.6728372656121951
Energy: 0.6230070462202465
Energy: 0.5602987301555853
Energy: 0.5542878735618764
Energy: 0.6347920482227266
Energy: 0.5542878735618764
Energy: 0.58263902135591
Energy: 0.6679194919770043
Energy: 0.5022159628083452
Energy: 0.6679194919781999
Energy: 0.5612455194388111
Energy: 0.6236149656243872
Energy: 0.5951685197080727
Energy: 0.6236149656243872
Energy: 0.5424149028631176
Energy: 0.6395482364974556
Energy: 0.644309136953761
Energy: 0.6395482364962599
Energy: 0.5304006858775426
Energy: 0.6520621947981432
Energy: 0.5049779474343711
Energy: 0.6520621947981432
Energy: 0.5609751605105757
Energy: 0.5668290181961957
Energy: 0.6344804075444499
Energy: 0.5668290181950001

minimum gb energy = 0.5022159628083452 eV
minimum distance =  2.61720214781122 Angstroms
sigma value = 17


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

Energy: 0.5815137332377681
Energy: 0.5823132632750143
Energy: 0.692915418188465
Energy: 0.5823132632756914
Energy: 0.5886345294673763
Energy: 0.5820511697953047
Energy: 0.5172421562721515
Energy: 0.5820511697959819
Energy: 0.6277857978647503
Energy: 0.5787741316480967
Energy: 0.5176245015424563
Energy: 0.5787741316480967
Energy: 0.5629238701448708
Energy: 0.5806306925769813
Energy: 0.5726433294584239
Energy: 0.5806306925769813
Energy: 0.6349882792523462
Energy: 0.5562704062123376
Energy: 0.5560700518764011
Energy: 0.5562704062130146
Energy: 0.5330111803030267
Energy: 0.588954586892474
Energy: 0.5785873903901371
Energy: 0.588954586892474
Energy: 0.5571015410788263
Energy: 0.5816225099309243
Energy: 0.5546010848204215
Energy: 0.5816225099302471
Energy: 0.620520848779956
Energy: 0.5889800581600442
Energy: 0.5422502014687346
Energy: 0.5889800581593669
Energy: 0.5789604840269245
Energy: 0.6020153434410646
Energy: 0.626522034839111
Energy: 0.6020153434410646
Energy: 0.6604487879499821
Energy: 0.5853065567988673
Energy: 0.56479373308727
Energy: 0.5853065567988673
Energy: 0.5184004267373188
Energy: 0.5840933025423244
Energy: 0.6149615493281273
Energy: 0.5840933025423244
Energy: 0.569594298594995
Energy: 0.5808837489906591
Energy: 0.5705337437584103
Energy: 0.5808837489920136
Energy: 0.6248659852146043
Energy: 0.5821942312219828
Energy: 0.5840548514101785
Energy: 0.5821942312213056
Energy: 0.5186563966877135
Energy: 0.5916916822297944
Energy: 0.5990903926821125
Energy: 0.5916916822304715
Energy: 0.5859570390656903
Energy: 0.5859930452682975
Energy: 0.5713173644308907
Energy: 0.5859930452682975
Energy: 0.5838266596553403
Energy: 0.5889273499179127
Energy: 0.5925556724564457
Energy: 0.5889273499172355
Energy: 0.5544875235493414
Energy: 0.5997374980140493
Energy: 0.6662851030410564
Energy: 0.5997374980147263
Energy: 0.6467327395889558
Energy: 0.5699795267137712
Energy: 0.5331106678878014
Energy: 0.5699795267137712
Energy: 0.5800403383096633
Energy: 0.6028745228083622
Energy: 0.551356162793785
Energy: 0.6028745228083622
Energy: 0.555196203816124
Energy: 0.5803522090535828
Energy: 0.5720289703940393
Energy: 0.5803522090522285
Energy: 0.5540715368963223
Energy: 0.5686646893756948
Energy: 0.5975651733825106
Energy: 0.5686646893743407
Energy: 0.5673192412493784
Energy: 0.6223166529215562
Energy: 0.6694057545196738
Energy: 0.6223166529222333
Energy: 0.606848413265045
Energy: 0.5814289878667547
Energy: 0.5159477017571467
Energy: 0.5814289878660776
Energy: 0.5730217237404435
Energy: 0.6048167768379286
Energy: 0.6252149889396432
Energy: 0.6048167768372512
Energy: 0.5738697705666502
Energy: 0.5766317272679475
Energy: 0.6265934619568331
Energy: 0.5766317272679475
Energy: 0.6555139129833084
Energy: 0.5807057191535426
Energy: 0.5167023181141704
Energy: 0.5807057191535426
Energy: 0.5547359712093142
Energy: 0.6018449500660406
Energy: 0.702125027459518
Energy: 0.6018449500653634
Energy: 0.5797459421896718
Energy: 0.5903336230033644
Energy: 0.5987270076957225
Energy: 0.5903336230026873
Energy: 0.6497693752752033
Energy: 0.6132456487494894
Energy: 0.5569348912884168
Energy: 0.6132456487501664
Energy: 0.5418104433186731
Energy: 0.6024401757546982
Energy: 0.6288389268112594
Energy: 0.6024401757546982

minimum gb energy = 0.5159477017571467 eV
minimum distance =  2.52423119115487 Angstroms
sigma value = 53


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

Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.668952278606003
Energy: 0.48455581272215326
Energy: 0.6177717922489454
Energy: 0.5664565914776512
Energy: 0.5473034794863798
Energy: 0.5664565914760923
Energy: 0.49767767953959136
Energy: 0.4846072229159571
Energy: 0.5435956276077291
Energy: 0.4846072229143981
Energy: 0.4973004739019102
Energy: 0.48459597759152895
Energy: 0.5442496116201518
Energy: 0.48459597759152895
Energy: 0.6177841951721883
Energy: 0.5663935597638717
Energy: 0.5474422994217825
Energy: 0.5663935597638717
Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.6906886643707305
Energy: 0.48455581272215326
Energy: 0.6177717922489454
Energy: 0.5664565914760923
Energy: 0.5619558230858618
Energy: 0.5664565914745334
Energy: 0.49767767953959136
Energy: 0.4846072229159571
Energy: 0.5879916148138234
Energy: 0.4846072229159571
Energy: 0.4973004739034691
Energy: 0.48459597759152895
Energy: 0.561732877410937
Energy: 0.48459597759152895
Energy: 0.6177841951721883
Energy: 0.5663935597638717
Energy: 0.6089779688706628
Energy: 0.5663935597623128
Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.6906886643691715
Energy: 0.48455581272215326
Energy: 0.6177717922489454
Energy: 0.5664565914776512
Energy: 0.5619558230858618
Energy: 0.5664565914760923
Energy: 0.49767767953959136
Energy: 0.4846072229159571
Energy: 0.5879916148138234
Energy: 0.4846072229143981

minimum gb energy = 0.4842929318171771 eV
minimum distance =  2.60222285881975 Angstroms
sigma value = 9


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

Energy: 0.5342023715131258
Energy: 0.6108660705629044
Energy: 0.7360321118696583
Energy: 0.6108660705629044
Energy: 0.6666668839150208
Energy: 0.5683772252276537
Energy: 0.5469030231173599
Energy: 0.5683772252282305
Energy: 0.5470841389544396
Energy: 0.5638751342448417
Energy: 0.5374467325300389
Energy: 0.5638751342448417
Energy: 0.6231926358530506
Energy: 0.6325142558477711
Energy: 0.5479451882836457
Energy: 0.632514255848925
Energy: 0.6201344700025191
Energy: 0.5553620137798502
Energy: 0.5399511697267544
Energy: 0.5553620137786962
Energy: 0.5231515518280249
Energy: 0.5230707528476651
Energy: 0.6245689742608034
Energy: 0.5230707528476651
Energy: 0.712415833505371
Energy: 0.5511647286984178
Energy: 0.5473127691293396
Energy: 0.5511647286989949
Energy: 0.5495422950178003
Energy: 0.6411016636245532
Energy: 0.6339362069379866
Energy: 0.6411016636251302
Energy: 0.5485937894442967
Energy: 0.5968030843825659
Energy: 0.5294150389195572
Energy: 0.5968030843831428
Energy: 0.5435528345798278
Energy: 0.5712067787287212
Energy: 0.5476480943497871
Energy: 0.571206778730452
Energy: 0.558699921144775
Energy: 0.5915436063875358
Energy: 0.7145264472514632
Energy: 0.5915436063881127
Energy: 0.6401323344871592
Energy: 0.6183490395683117
Energy: 0.5413308394865787
Energy: 0.6183490395671577
Energy: 0.5483872405648094
Energy: 0.6105479213815133
Energy: 0.6836986589371977
Energy: 0.6105479213826671
Energy: 0.6230334825749522
Energy: 0.655877646099353
Energy: 0.5387281032232131
Energy: 0.655877646098776
Energy: 0.5486308942237517
Energy: 0.6155866976952842
Energy: 0.6251326056948064
Energy: 0.6155866976952842
Energy: 0.5501280505963496
Energy: 0.6402831514688809
Energy: 0.6227938632451981
Energy: 0.6402831514688809
Energy: 0.5991276723238013
Energy: 0.6155075889832153
Energy: 0.5487836644438082
Energy: 0.6155075889837922
Energy: 0.5597786025168061
Energy: 0.551031744769902
Energy: 0.625614182408316
Energy: 0.5510317447687482
Energy: 0.6288651946455285
Energy: 0.5700293742668697
Energy: 0.5245378841777788
Energy: 0.5700293742657158
Energy: 0.5404961757853972
Energy: 0.5815638532075988
Energy: 0.6179236667335547
Energy: 0.5815638532081757
Energy: 0.6343598077306098
Energy: 0.6315663496953965
Energy: 0.6224424499998242
Energy: 0.6315663496953965
Energy: 0.6090532318001414
Energy: 0.6081441334123434
Energy: 0.5430950757946387
Energy: 0.6081441334123434
Energy: 0.5298658469172468
Energy: 0.5996968806513743
Energy: 0.556101467227183
Energy: 0.5996968806525282
Energy: 0.7160145703051956
Energy: 0.5882067462761891
Energy: 0.556694564782958
Energy: 0.5882067462756122
Energy: 0.5472331931261123
Energy: 0.6230530204115142
Energy: 0.7050476103093729
Energy: 0.6230530204115142
Energy: 0.5859099762519179
Energy: 0.5621742380477078
Energy: 0.5469670831313669
Energy: 0.5621742380482848
Energy: 0.5709113643302627
Energy: 0.6187889958806155
Energy: 0.6209733775080576
Energy: 0.6187889958800386
Energy: 0.5354393432371517
Energy: 0.6320699935318428
Energy: 0.6211024944647834
Energy: 0.6320699935324197
Energy: 0.5726845795112812
Energy: 0.5622957480805668
Energy: 0.5463339458138615
Energy: 0.5622957480817208
Energy: 0.5467911447590663
Energy: 0.6871328341768504
Energy: 0.7059434772378345
Energy: 0.6871328341762735
Energy: 0.677883393794011
Energy: 0.5888277362469586
Energy: 0.5559722444318159
Energy: 0.5888277362475356
Energy: 0.524298334981769
Energy: 0.5520534638017144
Energy: 0.5542945243559425
Energy: 0.5520534638028683
Energy: 0.525116054129426
Energy: 0.5966680216060659
Energy: 0.5429719129390022
Energy: 0.5966680216060659
Energy: 0.6316675805688057
Energy: 0.6316970135578164
Energy: 0.6225199353183009
Energy: 0.6316970135566624
Energy: 0.54018817291483
Energy: 0.6409149233933356
Energy: 0.7138698778267019
Energy: 0.6409149233927585

minimum gb energy = 0.5230707528476651 eV
minimum distance =  2.55511826128459 Angstroms
sigma value = 73


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

Energy: 0.5620007531855356
Energy: 0.5634498883276695
Energy: 0.7149732765258466
Energy: 0.563449888326754
Energy: 0.623302683417516
Energy: 0.5742652089002039
Energy: 0.5643880359357168
Energy: 0.5742652088983732
Energy: 0.55780657049796
Energy: 0.5510772866766441
Energy: 0.5288351872632086
Energy: 0.5510772866784749
Energy: 0.5566938217450305
Energy: 0.6081358013690693
Energy: 0.5928365202059923
Energy: 0.6081358013690693
Energy: 0.5813103926376973
Energy: 0.5817812274094399
Energy: 0.5606160417614326
Energy: 0.5817812274103553
Energy: 0.5740214918450273
Energy: 0.5372291135280775
Energy: 0.6682243002093389
Energy: 0.5372291135271621
Energy: 0.7107146765208381
Energy: 0.6681307650617355
Energy: 0.5585936257109941
Energy: 0.66813076506082
Energy: 0.5484673137077366
Energy: 0.5178473931604931
Energy: 0.656616049492069
Energy: 0.5178473931586831
Energy: 0.692270162460178
Energy: 0.5178165615634301
Energy: 0.5180194330959235
Energy: 0.5178165615643456
Energy: 0.5598621072010516
Energy: 0.6081109931210182
Energy: 0.5598517790981747
Energy: 0.6081109931201029
Energy: 0.5488875957933493
Energy: 0.5514449418240007
Energy: 0.6726281382663432
Energy: 0.5514449418230853
Energy: 0.6193062952825951
Energy: 0.5428189577398421
Energy: 0.545549078962572
Energy: 0.5428189577398421
Energy: 0.5514916238421759
Energy: 0.5552489066703077
Energy: 0.6300998924502701
Energy: 0.5552489066703077
Energy: 0.6782340856200216
Energy: 0.5954051860696159
Energy: 0.5731044214239063
Energy: 0.5954051860687005
Energy: 0.5217943425665005
Energy: 0.6473261974074773
Energy: 0.6776434031676597
Energy: 0.6473261974074773
Energy: 0.6535076004223549
Energy: 0.5746174063769998
Energy: 0.5489257807636837
Energy: 0.5746174063779151
Energy: 0.5776989639535973
Energy: 0.5626106475226251
Energy: 0.5578606543235726
Energy: 0.5626106475226251
Energy: 0.5633316607102707
Energy: 0.5622654791893584
Energy: 0.5836442435088643
Energy: 0.5622654791911894
Energy: 0.542417558878811
Energy: 0.5514610784012317
Energy: 0.5471800463378598
Energy: 0.5514610784021471
Energy: 0.5574688592043708
Energy: 0.6019097848114813
Energy: 0.7341449660597463
Energy: 0.6019097848096504
Energy: 0.6680975664867697
Energy: 0.5858068332013898
Energy: 0.5723139853782753
Energy: 0.5858068332004744
Energy: 0.5928683929908508
Energy: 0.5899500053664523
Energy: 0.6169754122096633
Energy: 0.5899500053673677

minimum gb energy = 0.5178165615634301 eV
minimum distance =  2.57621827198211 Angstroms
sigma value = 7


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

Energy: 0.5288058540378422
Energy: 0.5292202908331443
Energy: 0.7304665302521538
Energy: 0.5292202908363809
Energy: 0.7094209042393442
Energy: 0.5671044034757933
Energy: 0.5595833952286065
Energy: 0.5671044034738514
Energy: 0.541679395619007
Energy: 0.5293950367804658
Energy: 0.5612535908377169
Energy: 0.5293950367811131
Energy: 0.5950753244668094
Energy: 0.5672323188975805
Energy: 0.5684701059871788
Energy: 0.567232318894344
Energy: 0.5500663779454248
Energy: 0.5788516458645924
Energy: 0.5312743261009307
Energy: 0.5788516458658869
Energy: 0.5431845647608156
Energy: 0.5723090203835077
Energy: 0.6862110479196883
Energy: 0.572309020390628
Energy: 0.6337004355034707
Energy: 0.6386940387889966
Energy: 0.5685476606648479
Energy: 0.6386940387915857
Energy: 0.5430011025050212
Energy: 0.572281558848724
Energy: 0.7205953422087883
Energy: 0.5722815588506659
Energy: 0.6224220006408305
Energy: 0.5580362385493006
Energy: 0.5688080246184224
Energy: 0.5580362385512424
Energy: 0.5490203351957513
Energy: 0.5713358644953523
Energy: 0.6196891861146688
Energy: 0.5713358644979415
Energy: 0.5655320144036932
Energy: 0.572151874823804
Energy: 0.6014974769376369
Energy: 0.5721518748225093
Energy: 0.5298260896417931
Energy: 0.5791516039874348
Energy: 0.5688474250999122
Energy: 0.579151603983551
Energy: 0.529447697726729
Energy: 0.5303641598928819
Energy: 0.6100094691854258
Energy: 0.5303641598935293
Energy: 0.5620807510265035
Energy: 0.5674889312123522
Energy: 0.6003322872000837
Energy: 0.5674889312104104
Energy: 0.5474934962651253
Energy: 0.6357627811223456
Energy: 0.6831464318495712
Energy: 0.6357627811197565
Energy: 0.7254887635559439
Energy: 0.5235648153010564
Energy: 0.5521855470218263
Energy: 0.5235648153004091
Energy: 0.562532251085284
Energy: 0.5835108193190837
Energy: 0.6405082001168672
Energy: 0.5835108193197308
Energy: 0.5364924951925163
Energy: 0.5801452399882462
Energy: 0.5692340691611899
Energy: 0.5801452399863044
Energy: 0.5625364300226819
Energy: 0.5726516961298196
Energy: 0.6016422084021555
Energy: 0.5726516961317615
Energy: 0.5490462903655137
Energy: 0.5697024844462042
Energy: 0.5719376900048042
Energy: 0.5697024844442624
Energy: 0.6053790407060338
Energy: 0.617457085359594
Energy: 0.5697104559709625
Energy: 0.6174570853576522
Energy: 0.5497520349691505
Energy: 0.6159710830378577
Energy: 0.6216734015369922
Energy: 0.615971083038505
Energy: 0.685893995423843
Energy: 0.5839139776286347
Energy: 0.5892909203794505
Energy: 0.5839139776260456
Energy: 0.5313418867968147
Energy: 0.5294502130940592
Energy: 0.6917908247721433
Energy: 0.5294502130927645
Energy: 0.6041893883454632
Energy: 0.5784608282192406
Energy: 0.5429550867108061
Energy: 0.5784608282166515
Energy: 0.5937365868659688
Energy: 0.6163427979685345
Energy: 0.5670517463341455
Energy: 0.6163427979678873
Energy: 0.5497481179307999
Energy: 0.5698752957773876
Energy: 0.5554090085693683
Energy: 0.5698752957760931
Energy: 0.6024373172251156
Energy: 0.5831589821239979
Energy: 0.5710116753238647
Energy: 0.583158982126587
Energy: 0.5406405414408865
Energy: 0.5721192090680849
Energy: 0.625399989905724
Energy: 0.5721192090667905
Energy: 0.653700312723134
Energy: 0.6425048621096543
Energy: 0.5590140300875287
Energy: 0.6425048621154797
Energy: 0.5406132307879733
Energy: 0.5721580444971059
Energy: 0.6643622043886451
Energy: 0.5721580444958114

minimum gb energy = 0.5235648153004091 eV
minimum distance =  2.56661799996223 Angstroms
sigma value = 29


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

Energy: 0.49368887923999105
Energy: 0.5005944901843593
Energy: 0.609079326748328
Energy: 0.5005944901843593
Energy: 0.6172401097357075
Energy: 0.49508979037501616
Energy: 0.5654833331351501
Energy: 0.4950896513492733
Energy: 0.5630445627852825
Energy: 0.5109380366401535
Energy: 0.5329399798549203
Energy: 0.5109380366410303
Energy: 0.4939846836975694
Energy: 0.4722903493563891
Energy: 0.5654533045985443
Energy: 0.4722903493559632
Energy: 0.49399018855198407
Energy: 0.5039446753275321
Energy: 0.642049760839809
Energy: 0.5039446753273067
Energy: 0.5463929542832056
Energy: 0.5105030766642847
Energy: 0.5465478909504472
Energy: 0.5105030766638337
Energy: 0.4722502726875795
Energy: 0.5038869352120139
Energy: 0.49393179053006003
Energy: 0.5038869352124649
Energy: 0.565432410881652
Energy: 0.4721810641809697
Energy: 0.49384766800372293
Energy: 0.47218106418382566
Energy: 0.5332087516330192
Energy: 0.5105900836644641
Energy: 0.592485412891291
Energy: 0.5105900836631364

minimum gb energy = 0.4721810641809697 eV
minimum distance =  2.61249480085341 Angstroms
sigma value = 5


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

Energy: 0.5070967072446059
Energy: 0.5113317412978152
Energy: 0.6835114704640368
Energy: 0.5113317412978152
Energy: 0.5940337873589175
Energy: 0.5372365159804541
Energy: 0.5210985924792965
Energy: 0.5372365159798427
Energy: 0.4981052721539591
Energy: 0.5571253441373822
Energy: 0.6128043032295849
Energy: 0.5571253441361592
Energy: 0.5161565751492385
Energy: 0.5345443691611491
Energy: 0.5002401979881562
Energy: 0.5345443691611491
Energy: 0.5004342606355643
Energy: 0.5377561237399219
Energy: 0.5936766891898069
Energy: 0.5377561237405333
Energy: 0.5650429426815079
Energy: 0.5589224575067571
Energy: 0.4970988626455583
Energy: 0.5589224575061458
Energy: 0.49768457753174317
Energy: 0.5351278161968943
Energy: 0.5075496162669052
Energy: 0.5351278161968943
Energy: 0.4950501499406205
Energy: 0.5590238694493287
Energy: 0.5126224264254132
Energy: 0.5590238694493287
Energy: 0.49886976096244384
Energy: 0.5956616342920582
Energy: 0.5174093897838462
Energy: 0.5956616342920582
Energy: 0.49743351171002104
Energy: 0.5353171128097731
Energy: 0.5219662425397537
Energy: 0.5353171128097731
Energy: 0.513425910430366
Energy: 0.5607643663202434
Energy: 0.5115674545546379
Energy: 0.5607643663202434
Energy: 0.5169695890561161
Energy: 0.5048882668150828
Energy: 0.5116866032048802
Energy: 0.5048882668144714
Energy: 0.5661420929288586
Energy: 0.5114615985642725
Energy: 0.5139216724389138
Energy: 0.5114615985648839
Energy: 0.5072576036150658
Energy: 0.511833196104445
Energy: 0.5216856477737182
Energy: 0.5118331961026106
Energy: 0.6476081552040015
Energy: 0.5941012437681036
Energy: 0.5114150601264492
Energy: 0.5941012437681036
Energy: 0.4973705029252866
Energy: 0.508940003582913
Energy: 0.6353387708423011
Energy: 0.508940003582913
Energy: 0.5895086539605362
Energy: 0.5051537621131691
Energy: 0.5154134264302297
Energy: 0.5051537621131691
Energy: 0.5004917863513073
Energy: 0.5586342362200998
Energy: 0.5977614251785008
Energy: 0.5586342362188769
Energy: 0.5135192926402742
Energy: 0.5365143543622525
Energy: 0.49253880958909296
Energy: 0.536514354362864
Energy: 0.4979948323124239
Energy: 0.605402018526482
Energy: 0.5020393165327077
Energy: 0.6054020185258705
Energy: 0.5156216837122941
Energy: 0.5331792982163535
Energy: 0.4974204384866186
Energy: 0.5331792982181879
Energy: 0.5221465671041857
Energy: 0.5353185959017444
Energy: 0.4957669896292785
Energy: 0.535318595901133
Energy: 0.5128300630278761
Energy: 0.5120106024242479
Energy: 0.5160571570730529
Energy: 0.5120106024242479
Energy: 0.5109550603685038
Energy: 0.5152898965611241
Energy: 0.5119653564082112
Energy: 0.5152898965592898
Energy: 0.515956711212282
Energy: 0.5083709779688885
Energy: 0.5134806892293533
Energy: 0.5083709779688885
Energy: 0.5080931804208295
Energy: 0.5116674896452746
Energy: 0.5005796718668841
Energy: 0.5116674896446632
Energy: 0.49822992905757174
Energy: 0.4933904537124101
Energy: 0.5551414330463839
Energy: 0.49339045371363294
Energy: 0.5748507703253711
Energy: 0.533365933573523
Energy: 0.4974003649522034
Energy: 0.533365933573523
Energy: 0.515529346545889
Energy: 0.5001749324610794
Energy: 0.6725144787987325
Energy: 0.5001749324610794
Energy: 0.6176856934609146
Energy: 0.5587209385682199
Energy: 0.5005492202379795
Energy: 0.5587209385682199
Energy: 0.49651404187728476
Energy: 0.5019251779715651
Energy: 0.6166586930778023
Energy: 0.5019251779715651
Energy: 0.591537402261904
Energy: 0.5497047997139762
Energy: 0.49874564557750994
Energy: 0.5497047997139762
Energy: 0.498694649350878
Energy: 0.5416599365170922
Energy: 0.5154775905421397
Energy: 0.5416599365170922

minimum gb energy = 0.49253880958909296 eV
minimum distance =  2.56717043740843 Angstroms
sigma value = 1


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

Energy: 0.5506586696980846
Energy: 0.49527605453200035
Energy: 0.7280576576624989
Energy: 0.49527605455144513
Energy: 0.5460704516226011
Energy: 0.5231380107009495
Energy: 0.4858323092566152
Energy: 0.5231380107017949
Energy: 0.47860756053540576
Energy: 0.4915541807812247
Energy: 0.583605997048534
Energy: 0.49155418078207014
Energy: 0.5355766470412389
Energy: 0.5227431253650603
Energy: 0.4849042984559476
Energy: 0.5227431253659057
Energy: 0.47779879700929806
Energy: 0.48922842375371106
Energy: 0.5937578557086807
Energy: 0.4892284237528657
Energy: 0.47771991432486355
Energy: 0.5769414755193694
Energy: 0.48491132182038643
Energy: 0.5769414755185239
Energy: 0.47817762662279956
Energy: 0.5420245843812094
Energy: 0.4875707119176727
Energy: 0.5420245843803639
Energy: 0.4766076217488795
Energy: 0.5283417196562549
Energy: 0.5004333636623282
Energy: 0.5283417196562549
Energy: 0.4910072381644738
Energy: 0.4944345452938518
Energy: 0.49970172748277586
Energy: 0.4944345452938518
Energy: 0.49098948015354626
Energy: 0.5745745302948263
Energy: 0.5104050039821927
Energy: 0.5745745302956717
Energy: 0.4781748118115609
Energy: 0.5647988166044136
Energy: 0.4999160267172696
Energy: 0.564798816605259
Energy: 0.4789085379462176
Energy: 0.5364292032340259
Energy: 0.48754690743748186
Energy: 0.5364292032340259
Energy: 0.47247815307634
Energy: 0.49119400390503987
Energy: 0.48550182389223107
Energy: 0.49119400390503987
Energy: 0.4723089265739242
Energy: 0.5339536965217175
Energy: 0.5509390003645798
Energy: 0.5339536965200268
Energy: 0.5638823839231816
Energy: 0.5223936900419606
Energy: 0.4854499323276479
Energy: 0.5223936900436513
Energy: 0.47838993817535136
Energy: 0.5284889014577301
Energy: 0.5085850860214202
Energy: 0.5284889014602664
Energy: 0.7028045821466745
Energy: 0.5063633617660216
Energy: 0.48365357410249915
Energy: 0.5063633617660216
Energy: 0.5506586696972392
Energy: 0.495276054529464
Energy: 0.6745854461123494
Energy: 0.49527605451680184
Energy: 0.5460704516226011
Energy: 0.5231380107009495
Energy: 0.4858323092566152
Energy: 0.5231380107026403
Energy: 0.47860756053540576
Energy: 0.4915541807828963
Energy: 0.5836059970476887
Energy: 0.49155418078374175
Energy: 0.5355766470446206
Energy: 0.5227431253650603
Energy: 0.48490429845679306
Energy: 0.5227431253659057
Energy: 0.47779879700929806
Energy: 0.4892284237545565
Energy: 0.5937578557086807
Energy: 0.489228423755402
Energy: 0.47771991432486355
Energy: 0.5769414755185239
Energy: 0.48491132182038643
Energy: 0.5769414755185239
Energy: 0.478177626623645
Energy: 0.5420245843812094
Energy: 0.49900241432114373
Energy: 0.5420245843812094

minimum gb energy = 0.4723089265739242 eV
minimum distance =  2.57610362748989 Angstroms
sigma value = 17


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

Energy: 0.49421734024252933
Energy: 0.49483319869329956
Energy: 0.6756412401592942
Energy: 0.49483319869329956
Energy: 0.5607808445629352
Energy: 0.48981687675358365
Energy: 0.48283836501491384
Energy: 0.48981687675515134
Energy: 0.4806669536816625
Energy: 0.5342405153824544
Energy: 0.5882391143845506
Energy: 0.534240515382977
Energy: 0.546717135513124
Energy: 0.5760821324261421
Energy: 0.47992806228235296
Energy: 0.5760821324266648
Energy: 0.4823018323027077
Energy: 0.525282308680703
Energy: 0.6108032102708605
Energy: 0.5252823086822705
Energy: 0.4981785223663603
Energy: 0.5861750636423609
Energy: 0.48577552006532493
Energy: 0.5861750636454963
Energy: 0.4973073475077333
Energy: 0.5171976391370743
Energy: 0.4893919287868715
Energy: 0.5171976391375969
Energy: 0.49380253164308335
Energy: 0.5901800850392152
Energy: 0.48027164361176555
Energy: 0.59018008503817
Energy: 0.4963640428742437
Energy: 0.5870433296005623
Energy: 0.5110772816384519
Energy: 0.5870433295989946
Energy: 0.489015014675267
Energy: 0.5913854654898316
Energy: 0.487288172181161
Energy: 0.5913854654898316
Energy: 0.4847287336186063
Energy: 0.5809562847864007
Energy: 0.48231067263810734
Energy: 0.5809562847858781
Energy: 0.47756492795648586
Energy: 0.5132390005898775
Energy: 0.4740715377655772
Energy: 0.5132390005898775
Energy: 0.4969833646995413
Energy: 0.5869344667412837
Energy: 0.4839609677913821
Energy: 0.5869344667412837
Energy: 0.4885755591736302
Energy: 0.5248709041347074
Energy: 0.49488141077689957
Energy: 0.5248709041341848
Energy: 0.4860196451949531
Energy: 0.5783448719509344
Energy: 0.5001464469120878
Energy: 0.5783448719504118
Energy: 0.4856222958910884
Energy: 0.4894211595281672
Energy: 0.6061681315994979
Energy: 0.4894211595281672
Energy: 0.5110102803429084
Energy: 0.5780788747852791
Energy: 0.4839641402941749
Energy: 0.578078874784234
Energy: 0.4769079385192582
Energy: 0.5400745405928341
Energy: 0.6101537751073915
Energy: 0.5400745405933567
Energy: 0.5555517936792542
Energy: 0.5151871669244085
Energy: 0.4826683940932396
Energy: 0.5151871669312016
Energy: 0.4830129237545096
Energy: 0.4893448694176491
Energy: 0.6317333383308759
Energy: 0.489344869416604
Energy: 0.6515109908098626
Energy: 0.4855950319617749
Energy: 0.494067280811163
Energy: 0.4855950319617749
Energy: 0.49495810847735866
Energy: 0.5406138523697254
Energy: 0.648319910153189
Energy: 0.540613852372338
Energy: 0.5454975012568718
Energy: 0.5821332809161394
Energy: 0.48428055398383824
Energy: 0.5821332809166619
Energy: 0.48285990768594483
Energy: 0.5178793677273857
Energy: 0.5596423050298899
Energy: 0.5178793677279083
Energy: 0.5286957549857205
Energy: 0.540031498704182
Energy: 0.47800737451870134
Energy: 0.5400314987005717
Energy: 0.4849609229120036
Energy: 0.525171109405423
Energy: 0.5109458195740704
Energy: 0.525171109404378
Energy: 0.551737293944334
Energy: 0.5889432759826921
Energy: 0.48665388308763763
Energy: 0.5889432759821696
Energy: 0.502930121772857
Energy: 0.5786230844430441
Energy: 0.48445245665917974
Energy: 0.5786230844419991
Energy: 0.49471310341438857
Energy: 0.5246746717326692
Energy: 0.49126860992650423
Energy: 0.5246746717337144
Energy: 0.4858268038115347
Energy: 0.58701879382596
Energy: 0.523807425329222
Energy: 0.587018793824915
Energy: 0.48357091648070494
Energy: 0.5233256018970027
Energy: 0.477309162660142
Energy: 0.5233256018954351
Energy: 0.4848384970603812
Energy: 0.5805613179748176
Energy: 0.48293078501826137
Energy: 0.58056131797534
Energy: 0.48619646692984664
Energy: 0.5916955447938884
Energy: 0.5639047473731666
Energy: 0.5916955447965011
Energy: 0.5277755262350691
Energy: 0.5865854193803373
Energy: 0.4897531850637404
Energy: 0.5865854193798147
Energy: 0.47958717632181963
Energy: 0.5407420600061144
Energy: 0.5098234125725434
Energy: 0.5407420600045467
Energy: 0.4897720862660349
Energy: 0.5177807857547491
Energy: 0.49560517491061096
Energy: 0.5177807857531814
Energy: 0.48421112390164345
Energy: 0.5883349235435169
Energy: 0.5189607022626198
Energy: 0.5883349235424719
Energy: 0.6234852748773765
Energy: 0.5260441202557292
Energy: 0.48429051350444535
Energy: 0.5260441202552067

minimum gb energy = 0.4740715377655772 eV
minimum distance =  2.57184767996345 Angstroms
sigma value = 89


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

Energy: 0.4314741198206788
Energy: 0.43190204008387134
Energy: 0.5835021903694497
Energy: 0.43190204008523864
Energy: 0.43190111854786073
Energy: 0.4479550777592771
Energy: 0.4429916235610862
Energy: 0.4479550777592771
Energy: 0.44096531474942596
Energy: 0.6523255161223808
Energy: 0.7655863197523548
Energy: 0.6523255161223808
Energy: 0.4527607781181291
Energy: 0.4478916641680176
Energy: 0.442895541259064
Energy: 0.4478916641680176
Energy: 0.4411452271092973
Energy: 0.47636430735268637
Energy: 0.742852482529169
Energy: 0.47636430735268637
Energy: 0.44111520633462514
Energy: 0.43197439120337583
Energy: 0.4341680394073914
Energy: 0.43197439120337583
Energy: 0.4410526712359763
Energy: 0.5154730690183786
Energy: 0.4318253070050767
Energy: 0.5154730690183786
Energy: 0.44765651697656944
Energy: 0.5137955281618333
Energy: 0.44291728309924916
Energy: 0.5137955281768729
Energy: 0.44110944657241663
Energy: 0.47641665014681106
Energy: 0.45393115626358693
Energy: 0.47641665014681106
Energy: 0.44797331466645257
Energy: 0.474419008982695
Energy: 0.4413382659366322
Energy: 0.47441900897449163
Energy: 0.4315813011639888
Energy: 0.4479166355011133
Energy: 0.44128226731450937
Energy: 0.4479166354997461
Energy: 0.43169673445225876
Energy: 0.5135161559545719
Energy: 0.4430075431635662
Energy: 0.5135161559545719
Energy: 0.4412126595928493
Energy: 0.43178168252365173
Energy: 0.45260858255562036
Energy: 0.43178168252365173
Energy: 0.44149473484280616
Energy: 0.4743996080489071
Energy: 0.4413249772885134
Energy: 0.4743996080489071
Energy: 0.4586102996803567
Energy: 0.4324513791250796
Energy: 0.44117269332829534
Energy: 0.43245137912371234

minimum gb energy = 0.4314741198206788 eV
minimum distance =  2.58608707672732 Angstroms
sigma value = 13


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

Energy: 0.4501369932139537
Energy: 0.4345095569265219
Energy: 0.6320672508521747
Energy: 0.4345095569248027
Energy: 0.6188328263814378
Energy: 0.445580081298852
Energy: 0.43339560556809875
Energy: 0.4455800813011443
Energy: 0.4343543874986241
Energy: 0.5012853543312218
Energy: 0.5350967288891406
Energy: 0.5012853543317948
Energy: 0.4330301834098946
Energy: 0.44669708581059314
Energy: 0.4300688259592541
Energy: 0.44669708581059314
Energy: 0.440330566317776
Energy: 0.4671301847080816
Energy: 0.47573104474060446
Energy: 0.46713018470235107
Energy: 0.4324989231540104
Energy: 0.44569613251563023
Energy: 0.43962033550516516
Energy: 0.445696132513338
Energy: 0.4401433783669778
Energy: 0.50451046611295
Energy: 0.6067027713122538
Energy: 0.5045104661123769
Energy: 0.43344493193995176
Energy: 0.5114616920566525
Energy: 0.43971963818126425
Energy: 0.5114616920566525
Energy: 0.4401181048710742
Energy: 0.4659887029542604
Energy: 0.5079564208527645
Energy: 0.46598870295540656
Energy: 0.5136264428661982
Energy: 0.511017354784791
Energy: 0.4301578099616234
Energy: 0.5110173547876562
Energy: 0.4403117633064459
Energy: 0.47637802227688436
Energy: 0.43257086216931606
Energy: 0.4763780222791765
Energy: 0.5739007742721347
Energy: 0.5347747590119337
Energy: 0.4345350666842638
Energy: 0.5347747590136529
Energy: 0.45659937108798365
Energy: 0.4433533106375453
Energy: 0.44099901131091784
Energy: 0.44335331065301786
Energy: 0.576210204082496
Energy: 0.4752994092972891
Energy: 0.4364919859862473
Energy: 0.47529940929556985
Energy: 0.44036807446534737
Energy: 0.5442375400629318
Energy: 0.43955078954083404
Energy: 0.5442375400623588
Energy: 0.43234504666925616
Energy: 0.4754834071130306
Energy: 0.42913367003810826
Energy: 0.4754834071147498
Energy: 0.44030685438028844
Energy: 0.4627565783576301
Energy: 0.4288225173912123
Energy: 0.4627565783530457
Energy: 0.44939274932649037
Energy: 0.4642646112732122
Energy: 0.43833755750850073
Energy: 0.46426461128066204
Energy: 0.44030086433568244
Energy: 0.5040487368230325
Energy: 0.4379985326062398
Energy: 0.5040487368213133
Energy: 0.44049565431638865
Energy: 0.5042379956874239
Energy: 0.43817607832390615
Energy: 0.5042379956937276
Energy: 0.4493393421356916
Energy: 0.4643524207601366
Energy: 0.43804981656746983
Energy: 0.46435242076070965
Energy: 0.4402701379187123
Energy: 0.46246616492289455
Energy: 0.42885738697570236
Energy: 0.4624661649240407
Energy: 0.43228099769879796
Energy: 0.4755680836915219
Energy: 0.4287220760503784
Energy: 0.47556808369553333
Energy: 0.4405700117664276
Energy: 0.5441816011188358
Energy: 0.43732791708903646
Energy: 0.5441816011176898
Energy: 0.575940728209026
Energy: 0.4754998971847618
Energy: 0.43633320916656
Energy: 0.4754998971836156
Energy: 0.45658641872003924
Energy: 0.44289904637125993
Energy: 0.43333490170583594
Energy: 0.4428990463735522
Energy: 0.573114611085272
Energy: 0.5349683978132572
Energy: 0.43427561669996073
Energy: 0.5349683978161226
Energy: 0.44058595247889504
Energy: 0.47649857510636645
Energy: 0.4306692754494251
Energy: 0.4764985751075126
Energy: 0.5135750831996619
Energy: 0.5112799163749391
Energy: 0.4301279637708122
Energy: 0.5112799163875464
Energy: 0.44055824390708953
Energy: 0.4657138891984027
Energy: 0.5078995458598288
Energy: 0.4657138891943913
Energy: 0.433497607024464
Energy: 0.5116892397527345
Energy: 0.43957458591897663
Energy: 0.5116892397555998
Energy: 0.44041569253652013
Energy: 0.5038153788261729
Energy: 0.5839190723912417
Energy: 0.5038153788336227
Energy: 0.43284418117167406
Energy: 0.44558096330068686
Energy: 0.439549843968064
Energy: 0.4455809633012599
Energy: 0.44030074986584283
Energy: 0.46690787324901206
Energy: 0.5624140646568496
Energy: 0.4669078731928783
Energy: 0.43394809459197087
Energy: 0.44651235461064304
Energy: 0.4301118476431967
Energy: 0.44651235461293526

minimum gb energy = 0.4287220760503784 eV
minimum distance =  2.5935370162544 Angstroms
sigma value = 37


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

Energy: 0.47879396740639923
Energy: 0.47838578678988386
Energy: 0.41386855285533375
Energy: 0.4783857867888979
Energy: 0.6582093838192559
Energy: 0.5424523846247543
Energy: 0.4042518989102605
Energy: 0.5424523846247543
Energy: 0.4125941556411585
Energy: 0.6545800680233665
Energy: 0.5560109537597655
Energy: 0.6545800680243524
Energy: 0.4545794090625111
Energy: 0.4146489458898775
Energy: 0.40606308670613045
Energy: 0.41464894588790563
Energy: 0.40425971895355317
Energy: 0.414646488995059
Energy: 0.4733347629015131
Energy: 0.41464648899604495
Energy: 0.40984027873966866
Energy: 0.5425999209692499
Energy: 0.45502994371214833
Energy: 0.5425999209692499
Energy: 0.41120474962338865
Energy: 0.6906038379223132
Energy: 0.5816625337331418
Energy: 0.6906038379223132
Energy: 0.3979241826098976
Energy: 0.41480832034635695
Energy: 0.4166228394846401
Energy: 0.414808320345371
Energy: 0.404493090195082
Energy: 0.5423818835274349
Energy: 0.5102441851053576
Energy: 0.5423818835274349
Energy: 0.556078086462391
Energy: 0.6483122464808134
Energy: 0.4550416520143127
Energy: 0.6483122464808134
Energy: 0.40424687296862155
Energy: 0.6513748353430158
Energy: 0.45427737507855104
Energy: 0.6513748353430158
Energy: 0.5253984936561922
Energy: 0.41446601513876996
Energy: 0.40599061610902193
Energy: 0.41446601513581216
Energy: 0.4543521960842917
Energy: 0.5426236702091576
Energy: 0.4096059471753004
Energy: 0.5426236702091576
Energy: 0.5815183743324582
Energy: 0.6759451806509807
Energy: 0.3980277953817749
Energy: 0.6759451806509807
Energy: 0.4783082989591459
Energy: 0.4374047853580953
Energy: 0.397931112119818
Energy: 0.4374047853580953
Energy: 0.4782919931003941
Energy: 0.5423945193634013
Energy: 0.40403917342779533
Energy: 0.5423945193634013
Energy: 0.4542756023762648
Energy: 0.45872804075794343
Energy: 0.40851536079626694
Energy: 0.4587280407589293
Energy: 0.45422090146281896
Energy: 0.6514889115454734
Energy: 0.40445513694049434
Energy: 0.651488911549417
Energy: 0.40476482042784323
Energy: 0.41453273436801524
Energy: 0.40429280420218733
Energy: 0.4145327343670293
Energy: 0.40420644515451865
Energy: 0.5427527100500446
Energy: 0.4543914523364671
Energy: 0.5427527100520165

minimum gb energy = 0.3979241826098976 eV
minimum distance =  2.57679766742241 Angstroms
sigma value = 25


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

Energy: 0.44474027767309615
Energy: 0.5986995112695743
Energy: 0.42176689203022627
Energy: 0.5986995112695743
Energy: 0.63416664847949
Energy: 0.5881869828247662
Energy: 0.376881511252612
Energy: 0.5881869828232265
Energy: 0.4186753172376017
Energy: 0.4190265714750882
Energy: 0.49580687174583493
Energy: 0.419026571476628
Energy: 0.49523885441885557
Energy: 0.5032470826168458
Energy: 0.3785208963096339
Energy: 0.5032470826168458
Energy: 0.38293627033081573
Energy: 0.4950998552198281
Energy: 0.42247232322576794
Energy: 0.49509985522059796
Energy: 0.4071562407974325
Energy: 0.5285753628313472
Energy: 0.38439280595438724
Energy: 0.5285753628313472
Energy: 0.37676640470141554
Energy: 0.37279426888582584
Energy: 0.5737420430677682
Energy: 0.372794268884286
Energy: 0.37115464229776807
Energy: 0.5446967627437547
Energy: 0.41880422413880425
Energy: 0.5446967627437547
Energy: 0.3765164768308819
Energy: 0.5992526030999271
Energy: 0.5734858050157491
Energy: 0.5992526030976175
Energy: 0.3660662873523491
Energy: 0.5397575202820633
Energy: 0.3983647278711281
Energy: 0.5397575202828332
Energy: 0.3774007035211616
Energy: 0.48235928607365663
Energy: 0.5382584495915338
Energy: 0.4823592860751964
Energy: 0.4960422207409145
Energy: 0.5555865949434402
Energy: 0.4187730517530067
Energy: 0.5555865949426704
Energy: 0.37949298840038526
Energy: 0.5026616909884914
Energy: 0.494649041349215
Energy: 0.5026616909884914
Energy: 0.47755847303418986
Energy: 0.5542250678641313
Energy: 0.3841582682394309
Energy: 0.5542250678633612
Energy: 0.38383035537169846
Energy: 0.48266478197633356
Energy: 0.4070754663790666
Energy: 0.48266478197783835
Energy: 0.5173064748579308
Energy: 0.6214893185789643
Energy: 0.37587670603550755
Energy: 0.6214893185789643
Energy: 0.4210369708789454
Energy: 0.5054828872315644
Energy: 0.412106999569188
Energy: 0.5054828872323344
Energy: 0.5092917176359755
Energy: 0.5477052891027566
Energy: 0.37697759830552796
Energy: 0.5477052891027566
Energy: 0.44697259173929094
Energy: 0.5564286777915617
Energy: 0.36643659094853004
Energy: 0.5564286777907919
Energy: 0.5827337680195042
Energy: 0.5662413751654618
Energy: 0.37637389123610043
Energy: 0.5662413751646919
Energy: 0.4214308424948241
Energy: 0.4757287005148695
Energy: 0.37040741228853247
Energy: 0.4757287005164092
Energy: 0.41838213571707544
Energy: 0.5027121921155489
Energy: 0.38234149170534104
Energy: 0.5027121921148139
Energy: 0.3836632041794292
Energy: 0.5005086055678521
Energy: 0.4776132848074767
Energy: 0.5005086055686221
Energy: 0.4070392241678512
Energy: 0.6059993190925612
Energy: 0.38256979522630696
Energy: 0.6059993190948709
Energy: 0.37596003787831106
Energy: 0.6285548831938995
Energy: 0.5173820349291726
Energy: 0.6285548831923597
Energy: 0.36871961216333515
Energy: 0.5057334426063331
Energy: 0.4184968536535074
Energy: 0.5057334426078729

minimum gb energy = 0.3660662873523491 eV
minimum distance =  2.56388482954514 Angstroms
sigma value = 41


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

Energy: 0.4870052210005338
Energy: 0.5387989436173898
Energy: 0.34461954554816365
Energy: 0.5387989436180209
Energy: 0.6165917759903047
Energy: 0.5306095583119772
Energy: 0.3448240996246031
Energy: 0.5306095583113459
Energy: 0.35575756547929915
Energy: 0.5256331076664039
Energy: 0.6702958155537523
Energy: 0.5256331076670351
Energy: 0.477624756702809
Energy: 0.5287072113614187
Energy: 0.3446611585382909
Energy: 0.5287072113614187
Energy: 0.34167354003964573
Energy: 0.5226230482801953
Energy: 0.33653154482002523
Energy: 0.5226230482801953
Energy: 0.40960204561804076
Energy: 0.507610722601267
Energy: 0.34465127812326707
Energy: 0.507610722601267
Energy: 0.34394200538349357
Energy: 0.44245006535854153
Energy: 0.38136992633367
Energy: 0.4424500653591727
Energy: 0.3364156824485094
Energy: 0.44852662762773526
Energy: 0.34227839725858616
Energy: 0.44852662762710405
Energy: 0.3466279947619249
Energy: 0.5549392656354177
Energy: 0.5264207930206967
Energy: 0.5549392656354177
Energy: 0.3383150718205228
Energy: 0.5265908748512471
Energy: 0.3564562645816416
Energy: 0.5265908748512471
Energy: 0.34409241210648706
Energy: 0.5309839344409227
Energy: 0.5449520748018197
Energy: 0.530983934441554
Energy: 0.33880736089808494
Energy: 0.5145317531983236
Energy: 0.4847972905490824
Energy: 0.5145317531951678
Energy: 0.3461195892151505
Energy: 0.5507038732290762
Energy: 0.5444834082346727
Energy: 0.5507038732297075
Energy: 0.44537390270820737
Energy: 0.5599378369619333
Energy: 0.35645099157352744
Energy: 0.559937836960671
Energy: 0.3440976874804492
Energy: 0.5302356098734805
Energy: 0.47724504669064416
Energy: 0.5302356098722181
Energy: 0.4344287845031835
Energy: 0.4881372692612851
Energy: 0.342322576182718
Energy: 0.4881372692600227
Energy: 0.3462583059364829
Energy: 0.5503179186818422
Energy: 0.4449349851539888
Energy: 0.5503179186831046
Energy: 0.4317716282662932
Energy: 0.5597335113586495
Energy: 0.3446778059721529
Energy: 0.5597335113573872
Energy: 0.3440641242720058
Energy: 0.4500955747541299
Energy: 0.3365232769080353
Energy: 0.4500955747534987
Energy: 0.4281653704429349
Energy: 0.5538092518371013
Energy: 0.34809695294136217
Energy: 0.5538092518371013
Energy: 0.35801202785462144
Energy: 0.5507723671122372
Energy: 0.33824407369362575
Energy: 0.550772367110975
Energy: 0.5445669326481898
Energy: 0.5731814458228062
Energy: 0.34472408325959547
Energy: 0.5731814458234372
Energy: 0.4853221240070387
Energy: 0.4498048390433463
Energy: 0.338800645068872
Energy: 0.44980483904019036
Energy: 0.4853440141824392
Energy: 0.4632535211045923
Energy: 0.3476528854811035
Energy: 0.46325352110332996
Energy: 0.358228744676734
Energy: 0.5713141114728474
Energy: 0.34192851369014055
Energy: 0.5713141114722161
Energy: 0.4770920335844536
Energy: 0.5644229947895834
Energy: 0.34482002468353745
Energy: 0.5644229947870586
Energy: 0.34421210799231927
Energy: 0.4224604598946804
Energy: 0.43435621542404773
Energy: 0.4224604598953116
Energy: 0.3420397821124779
Energy: 0.5486522986629104
Energy: 0.3477341570451348
Energy: 0.5486522986616481
Energy: 0.34636959060683625
Energy: 0.5714090854997326
Energy: 0.43163723555290134
Energy: 0.5714090854997326
Energy: 0.33641008271596523
Energy: 0.5462967785164239
Energy: 0.3469604152253229
Energy: 0.5462967785164239
Energy: 0.34597162703801687
Energy: 0.4686735201937042
Energy: 0.42807287968251195
Energy: 0.4686735201943354
Energy: 0.3387153786124252
Energy: 0.5486591949188235
Energy: 0.3608320074281212
Energy: 0.5486591949188235

minimum gb energy = 0.33641008271596523 eV
minimum distance =  2.55682731204515 Angstroms
sigma value = 15


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

Energy: 0.44801687438412596
Energy: 0.5135256698922404
Energy: 0.6685823306897174
Energy: 0.5135256698927751
Energy: 0.6027195988224379
Energy: 0.5035588480416167
Energy: 0.3286681401734839
Energy: 0.5035588480416167
Energy: 0.3403500725552748
Energy: 0.4938669167370533
Energy: 0.7069736908393184
Energy: 0.4938669167381228
Energy: 0.6020710718888921
Energy: 0.5018385283576021
Energy: 0.3285265667162104
Energy: 0.5018385283586715
Energy: 0.3266549084025856
Energy: 0.5220746846041668
Energy: 0.3166625144607872
Energy: 0.5220746846025628
Energy: 0.43266931318689794
Energy: 0.5043634294254873
Energy: 0.3286659026403676
Energy: 0.5043634294254873
Energy: 0.3280283495315334
Energy: 0.3881080932850251
Energy: 0.35264719918138765
Energy: 0.3881080932802128
Energy: 0.3752257689595029
Energy: 0.3904564127937994
Energy: 0.32849783557596857
Energy: 0.390456412791126
Energy: 0.32992781301942864
Energy: 0.5255913260499894
Energy: 0.4518487238720878
Energy: 0.5255913260494547
Energy: 0.31504553283073006
Energy: 0.5047677634477641
Energy: 0.3269135585342846
Energy: 0.5047677634466947
Energy: 0.32823572528083933
Energy: 0.5069650635785717
Energy: 0.5055173990001504
Energy: 0.506965063578037
Energy: 0.3166096913176875
Energy: 0.32846924550839723
Energy: 0.3408259290293334
Energy: 0.32846924551107076
Energy: 0.3298035746396231
Energy: 0.520022955991391
Energy: 0.5663649533081051
Energy: 0.520022955991391
Energy: 0.3167951182052231
Energy: 0.5127149900116139
Energy: 0.4470258079849099
Energy: 0.5127149900116139
Energy: 0.32811348600636736
Energy: 0.502549026595884
Energy: 0.5489799698669273
Energy: 0.5025490265948146
Energy: 0.4061633934454362
Energy: 0.38535094068286785
Energy: 0.3407790831427269
Energy: 0.3853509406801943
Energy: 0.3296650311061094
Energy: 0.5203109975307809
Energy: 0.4913587073233811
Energy: 0.5203109975313155
Energy: 0.4000660270063109
Energy: 0.5205340988471748
Energy: 0.32693408694738524
Energy: 0.5205340988455709
Energy: 0.32816270814445153
Energy: 0.5030830258411936
Energy: 0.43290867671696015
Energy: 0.5030830258406589
Energy: 0.3976123299391966
Energy: 0.44023335417140064
Energy: 0.32854407496047194
Energy: 0.4402333541697966
Energy: 0.3297507184481164
Energy: 0.49200089156244964
Energy: 0.37614409023438217
Energy: 0.4920008915608455
Energy: 0.39479839921027304
Energy: 0.5274306436160434
Energy: 0.33147036376945055
Energy: 0.5274306436155087
Energy: 0.32823445872453333
Energy: 0.5032891423861965
Energy: 0.3151128678210959
Energy: 0.5032891423872657
Energy: 0.5033399517589409
Energy: 0.4818984851089129
Energy: 0.3285570640324625
Energy: 0.48189848510517
Energy: 0.3416989633401848
Energy: 0.5158679455654129
Energy: 0.3168006240259616
Energy: 0.5158679455654129
Energy: 0.4994162335522118
Energy: 0.5226976190677692
Energy: 0.3315614560147536
Energy: 0.522697619068304
Energy: 0.4472664658624701
Energy: 0.5158305896675263
Energy: 0.3169593529929826
Energy: 0.5158305896664569
Energy: 0.5582470495406882
Energy: 0.42530703515815194
Energy: 0.3284972022521235
Energy: 0.4253070351576172
Energy: 0.34174211155428086
Energy: 0.5365825095599898
Energy: 0.3190478300898875
Energy: 0.5365825095599898
Energy: 0.4375934364213672
Energy: 0.5179609377922971
Energy: 0.3315850684242148
Energy: 0.5179609377939013
Energy: 0.3280526468549505
Energy: 0.5217754818821357
Energy: 0.4002887915465418
Energy: 0.5217754818821357
Energy: 0.4328250163414751
Energy: 0.5019668272086005
Energy: 0.3285835591146648
Energy: 0.5019668272080657
Energy: 0.32985601062962233
Energy: 0.5365429168719693
Energy: 0.3978240918103698
Energy: 0.5365429168719693
Energy: 0.3183686839746232
Energy: 0.5139526404382339
Energy: 0.33152480633592585
Energy: 0.5139526404376991
Energy: 0.32579559148545645
Energy: 0.5218218576777445
Energy: 0.39507229221963563
Energy: 0.5218218576798833
Energy: 0.31509529309567186
Energy: 0.5021146720504099
Energy: 0.329931687089552
Energy: 0.5021146720514793
Energy: 0.32969334746475165
Energy: 0.5364864500240628
Energy: 0.5016386364681766
Energy: 0.5364864500240628

minimum gb energy = 0.31504553283073006 eV
minimum distance =  2.58369003731255 Angstroms
sigma value = 85


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

Energy: 0.4541839785410577
Energy: 0.4969957868104906
Energy: 0.4268896149622086
Energy: 0.49699578680956313
Energy: 0.6118656244601012
Energy: 0.4760299032666432
Energy: 0.30169971936967444
Energy: 0.47602990326617933
Energy: 0.4355442670368863
Energy: 0.4142260608223244
Energy: 0.3928196429039795
Energy: 0.41422606082000574
Energy: 0.5739658515709144
Energy: 0.4284015609753082
Energy: 0.3016563480568549
Energy: 0.4284015609748445
Energy: 0.3432418459722637
Energy: 0.3532883432275828
Energy: 0.3505162329543331
Energy: 0.3532883432317565
Energy: 0.544363300660803
Energy: 0.45840804745095004
Energy: 0.30160546719670583
Energy: 0.45840804745234126
Energy: 0.3263074023566916
Energy: 0.4132593481608177
Energy: 0.370971034700113
Energy: 0.4132593481626727
Energy: 0.4138179528084883
Energy: 0.42673019423830494
Energy: 0.30593510027862814
Energy: 0.4267301942415512
Energy: 0.3051105208978492
Energy: 0.3529923976052177
Energy: 0.43089956787456485
Energy: 0.352992397604754
Energy: 0.36150792140486493
Energy: 0.3657844978496558
Energy: 0.3263781761321076
Energy: 0.3657844978515108
Energy: 0.302769648877661
Energy: 0.43051043308749926
Energy: 0.4779763525512652
Energy: 0.43051043308749926
Energy: 0.3109632971370224
Energy: 0.48439743035728966
Energy: 0.34337247329831544
Energy: 0.48439743036099964
Energy: 0.3013908474920356
Energy: 0.30822488343254567
Energy: 0.5219461657950636
Energy: 0.3082248834334731
Energy: 0.2876825865077687
Energy: 0.39309721849311524
Energy: 0.43294548907414876
Energy: 0.393097218493579
Energy: 0.3027273730003904
Energy: 0.4072803073533023
Energy: 0.5544230310123256
Energy: 0.4072803073523748
Energy: 0.2867653846870623
Energy: 0.4903812360120328
Energy: 0.4226865469636796
Energy: 0.49038123601296035
Energy: 0.3013577985559836
Energy: 0.30910925099384445
Energy: 0.5346737267124102
Energy: 0.30910925099430825
Energy: 0.3633397236628701
Energy: 0.45982130731853
Energy: 0.43295538613972595
Energy: 0.45982130731853
Energy: 0.3027230364432395
Energy: 0.40709519340927297
Energy: 0.5122404073270589
Energy: 0.4070951934088093
Energy: 0.3609165837819726
Energy: 0.48992978408645765
Energy: 0.34342506071070683
Energy: 0.48992978408738513
Energy: 0.30198430602687015
Energy: 0.3134223287151918
Energy: 0.4669731249545093
Energy: 0.313422328716583
Energy: 0.38354076017278854
Energy: 0.4071806853083966
Energy: 0.3263694346036477
Energy: 0.4071806853097878
Energy: 0.3070513892584732
Energy: 0.4056543574845009
Energy: 0.41421377115993835
Energy: 0.4056543574821822
Energy: 0.3837497483456742
Energy: 0.4955765831301699
Energy: 0.30590389776768295
Energy: 0.49557658313109737
Energy: 0.327272485416944
Energy: 0.33964197772917726
Energy: 0.36145627515773016
Energy: 0.33964197772964094
Energy: 0.47995046515454054
Energy: 0.45142342443132616
Energy: 0.30225405031097047
Energy: 0.4514234244308625
Energy: 0.34430547408133605
Energy: 0.47588174675769496
Energy: 0.31049521365205196
Energy: 0.47588174675815864
Energy: 0.48347352152519024
Energy: 0.4926779604897569
Energy: 0.3019287614886713
Energy: 0.4926779604892932
Energy: 0.43294845960537764
Energy: 0.3928187066520866
Energy: 0.3127605850499766
Energy: 0.3928187066520866
Energy: 0.554396805333928
Energy: 0.44895379345942155
Energy: 0.3022938752944934
Energy: 0.44895379345988523
Energy: 0.45155111999250397
Energy: 0.4933652523560715
Energy: 0.2868168422797817
Energy: 0.49336525235653517
Energy: 0.5247690010700866
Energy: 0.49259736580584723
Energy: 0.30178039033117715
Energy: 0.49259736580399227
Energy: 0.43284629473458386
Energy: 0.43820509917089306
Energy: 0.28826760517450994
Energy: 0.4382050991690381
Energy: 0.5139781551217405
Energy: 0.42748700260780675
Energy: 0.30201570346062634
Energy: 0.42748700260780675
Energy: 0.34414120345562677
Energy: 0.49415033999671215
Energy: 0.3606461949268368
Energy: 0.49415033999532093
Energy: 0.4213758955755155
Energy: 0.48372414692785143
Energy: 0.3032218447526059
Energy: 0.4837241469273877
Energy: 0.3273030514650599
Energy: 0.361888660219322
Energy: 0.3830255013870803
Energy: 0.361888660219322
Energy: 0.41399922453167387
Energy: 0.40524743555486475
Energy: 0.3055421294995488
Energy: 0.40524743555625603
Energy: 0.3072566136675884
Energy: 0.4939304882969409
Energy: 0.3837000910001458
Energy: 0.4939304882964772
Energy: 0.31539289299059153
Energy: 0.4682196898701371
Energy: 0.32883845345112733
Energy: 0.4682196898692096
Energy: 0.3014445081398421
Energy: 0.40715703058879404
Energy: 0.4800599960304858
Energy: 0.40715703058879404
Energy: 0.3104993971070545
Energy: 0.4756856949615603
Energy: 0.3459260442187793
Energy: 0.47568569496109653
Energy: 0.30268346422297615
Energy: 0.4936427463111875
Energy: 0.48352203544391886
Energy: 0.49364274631026

minimum gb energy = 0.2867653846870623 eV
minimum distance =  2.58070318958071 Angstroms
sigma value = 113


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

Energy: 0.011810498514587512
Energy: 0.013508970360343962
Energy: 0.7268340256182847
Energy: 0.013508970361037157
Energy: 0.6174265263112282
Energy: 0.18368135361367338
Energy: 0.18350198747357857
Energy: 0.18368135361333665
Energy: 0.011810498514587512
Energy: 0.013508970360343962
Energy: 0.7268340256147989
Energy: 0.013508970361037157
Energy: 0.6174265263108716
Energy: 0.18368135361402987
Energy: 0.18350198747322208
Energy: 0.18368135361333665
Energy: 0.011810498514587512
Energy: 0.013508970360680656
Energy: 0.7268340256130561
Energy: 0.013508970361037157
Energy: 0.6174265263112282
Energy: 0.18368135361402987
Energy: 0.18350198747427177
Energy: 0.18368135361333665

minimum gb energy = 0.011810498514587512 eV
minimum distance =  2.8324938173234 Angstroms
sigma value = 1