Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.014210877881922252
Energy: 0.23484266898669162
Energy: 0.23493308744308672
Energy: 1.3071092886647828
Energy: 0.23493308744659086
Energy: 0.23484266898480682
Energy: 0.014210877881683334
Energy: 0.2348426689871429
Energy: 0.23493308744263544
Energy: 0.9725484461813914
Energy: 0.23468155534040613
Energy: 0.2345147903858007
Energy: 0.01559627991906161
Energy: 0.23398746900531012
Energy: 0.015596279918132488
Energy: 0.23451479038651746
Energy: 0.23468155534016719
Energy: 0.23451479038789783
Energy: 0.015596279917654653
Energy: 0.23398746900578796
Energy: 0.014210877881683334
Energy: 0.23484266898645267
Energy: 0.23493308744308672
Energy: 1.3071092886661901
Energy: 0.23493308744332567
Energy: 0.23484266898621378
Energy: 0.014210877881683334
Energy: 0.23484266898807202
Energy: 0.23493308744308672
Energy: 1.1607143771222106
Energy: 0.23468155533995483
Energy: 0.23451479038511047
Energy: 0.015596279916964446
Energy: 0.233987469005549
Energy: 0.015596279917203365
Energy: 0.23451479038394243
Energy: 0.23468155533995483
Energy: 0.23451479038556175
Energy: 0.015596279917415735
Energy: 0.23398746900531012
Energy: 0.014210877881683334
Energy: 0.23484266898807202
Energy: 0.23493308744239652
Energy: 1.3071092886657123
Energy: 0.2349330874449715
Energy: 0.23484266898597486
Energy: 0.014210877881683334
Energy: 0.23484266898621378
Energy: 0.23493308744215757
Energy: 1.160714377136227
Energy: 0.2346815553397159
Energy: 0.23451479038534936
Energy: 0.015596279917203365
Energy: 0.23398746900483225
Energy: 0.015596279918822693
Energy: 0.2345147903858007
Energy: 0.23468155534040613
Energy: 0.2345147903858007
Energy: 0.015596279917203365
Energy: 0.23398746900531012
Energy: 0.014210877881683334
Energy: 0.23484266899484135
Energy: 0.23493308744332567
Energy: 1.307109288662447
Energy: 0.23493308744682972
Energy: 0.23484266898645267
Energy: 0.014210877881922252
Energy: 0.2348426689978942
Energy: 0.23493308744239652
Energy: 1.0937226969547447

minimum gb energy = 0.014210877881683334 eV
minimum distance =  2.25063413315511 Angstroms
sigma value = 3


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

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Energy: 0.6611849076629688
Energy: 0.5862502102121523
Energy: 0.7193933457391032
Energy: 0.5861913791183126
Energy: 0.6611670174298332
Energy: 0.7211066521067645
Energy: 0.661184907658391
Energy: 0.5862502102104356
Energy: 0.7184583354987697
Energy: 0.6245179351630037
Energy: 0.5148258750019834
Energy: 0.585171961697438
Energy: 0.6753411963822948
Energy: 0.5816902294250021
Energy: 0.6042358158905602
Energy: 0.6245179351664369
Energy: 0.5148258750059889
Energy: 0.5851719616968658
Energy: 0.6753411963868726
Energy: 0.6687450241870556
Energy: 0.6492163509036634
Energy: 0.5774254722081638
Energy: 0.6434320389934282
Energy: 0.5906289231262811
Energy: 0.6619110632838607
Energy: 0.6687450241864833
Energy: 0.6492163509059522
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Energy: 0.6434320389934282
Energy: 0.581178038689945
Energy: 0.6164627439347105
Energy: 0.5615779974245299
Energy: 0.5918271267744716
Energy: 0.5387350793158119
Energy: 0.6347214640693837
Energy: 0.5811780386893728
Energy: 0.6164627439352826
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Energy: 0.6216265149964777
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Energy: 0.5994737438886889
Energy: 0.5748176300261207
Energy: 0.6562297542701514
Energy: 0.5779948192062123
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Energy: 0.6682868195444033
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Energy: 0.5779948192096456
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Energy: 0.5623204635050065
Energy: 0.6486159595755884
Energy: 0.5549090598034048
Energy: 0.5613382533987615
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Energy: 0.6247353431517246
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Energy: 0.648615959574444
Energy: 0.5549090598062658
Energy: 0.623438290982108
Energy: 0.5831668422497784
Energy: 0.6637359537508168
Energy: 0.5889181334037862
Energy: 0.6402588651449526
Energy: 0.6713125738332654
Energy: 0.6181286353878186
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Energy: 0.6637359537491002
Energy: 0.5889181334055029
Energy: 0.5787923286707511
Energy: 0.5814676079573535
Energy: 0.689941554282593
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Energy: 0.6035142339333747
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Energy: 0.4884959406948273
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Energy: 0.5371345419003541
Energy: 0.4884959406942551
Energy: 0.5887292407090587
Energy: 0.6341806494090251
Energy: 0.5674578696397061
Energy: 0.5894139441805617
Energy: 0.6501375834048697
Energy: 0.6418106533955474
Energy: 0.5887292407067699
Energy: 0.6341806494095974
Energy: 0.5674578696408505
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Energy: 0.5541949035645767
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Energy: 0.5822009907075769
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Energy: 0.6257575619495155
Energy: 0.5541949035645767
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Energy: 0.5822009907092934
Energy: 0.5770707650854195
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Energy: 0.7125129816888008
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Energy: 0.6705518115279456
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Energy: 0.5895745369214577
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Energy: 0.6234888751381178
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Energy: 0.5573323915102517
Energy: 0.6487455093115128
Energy: 0.5621906849698738
Energy: 0.6246879143181637
Energy: 0.5766682917206551
Energy: 0.656530078788243
Energy: 0.5772882172503042
Energy: 0.599473743898989
Energy: 0.6682860530456649
Energy: 0.6276978568859748
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Energy: 0.6565300787905319
Energy: 0.5772882172462988
Energy: 0.6006382692200356
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Energy: 0.6427502029271241
Energy: 0.6073097305944525
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Energy: 0.5877280670678067
Energy: 0.5303805421306473
Energy: 0.6481866237475623
Energy: 0.6427502029265519
Energy: 0.6073097305955969
Energy: 0.623680111134321
Energy: 0.5920865872367737
Energy: 0.5616668778809328
Energy: 0.6165641530996103
Energy: 0.5811792999775417
Energy: 0.6454759225113799
Energy: 0.5383812245434251
Energy: 0.5920865872327682
Energy: 0.5616668778832217
Energy: 0.6165641530984659
Energy: 0.5811792999763973
Energy: 0.6434320389962894
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Energy: 0.6489714588654855
Energy: 0.6620818270322091
Energy: 0.6589067475453904
Energy: 0.5898681167995573
Energy: 0.6434320389968615
Energy: 0.5776132844047727
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Energy: 0.6620818270327814
Energy: 0.6757747477856688
Energy: 0.5854573599986251
Energy: 0.5137365511602222
Energy: 0.6247074974195835
Energy: 0.6033609838654913
Energy: 0.5819559198294245
Energy: 0.6757747477856688
Energy: 0.5854573600020584
Energy: 0.5137365511482055
Energy: 0.6247074974161502
Energy: 0.7195225750333271
Energy: 0.5861913791154515
Energy: 0.6611670174246831
Energy: 0.7211066521067645
Energy: 0.6611849076543854
Energy: 0.5862502102092911
Energy: 0.7184583355010586
Energy: 0.5861913791143071
Energy: 0.6611670174258275
Energy: 0.7211066521084812
Energy: 0.6753411963868726
Energy: 0.5816902294278632
Energy: 0.6042358158865547
Energy: 0.6245179351658647
Energy: 0.5148258750168611
Energy: 0.5851719616911436
Energy: 0.6753411963834393
Energy: 0.581690229430152
Energy: 0.6042358158911324
Energy: 0.6245179351641481
Energy: 0.6434320389985784
Energy: 0.5906289231268532
Energy: 0.6619110632787109
Energy: 0.6687450241836222
Energy: 0.6492163509093856
Energy: 0.577425472216747
Energy: 0.6434320389962894
Energy: 0.5906289231228478
Energy: 0.6619110632758497
Energy: 0.66874502418305
Energy: 0.591827126778477
Energy: 0.5387350793106619
Energy: 0.6347214640659503
Energy: 0.5811780386933783
Energy: 0.6164627439324215
Energy: 0.5615779974279632
Energy: 0.5918271267807659
Energy: 0.5387350793118064
Energy: 0.6347214640716725
Energy: 0.5811780386956672

minimum gb energy = 0.4884959406942551 eV
minimum distance =  2.25518945519716 Angstroms
sigma value = 75


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

Energy: 0.6543274306234351
Energy: 0.6440473227394806
Energy: 0.5498425423619752
Energy: 0.6832460591007657
Energy: 0.5442677287987947
Energy: 0.6178298335176231
Energy: 0.6543274306234351
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Energy: 0.5650631557115022
Energy: 0.6275516711020036
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minimum gb energy = 0.5039196699489427 eV
minimum distance =  2.26416327168351 Angstroms
sigma value = 105


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

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Energy: 0.5597570392924831
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Energy: 0.5705473881704193
Energy: 0.5267355669058222
Energy: 0.623349296748996
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Energy: 0.5626715774584362
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Energy: 0.5267355669070822
Energy: 0.623349296749626
Energy: 0.6140621377017114
Energy: 0.6264373748715993
Energy: 0.5446928043379252
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Energy: 0.537372753047152
Energy: 0.5291264133249535
Energy: 0.6264373748697093
Energy: 0.5446928043376101
Energy: 0.5637037263796032
Energy: 0.5874249907238236
Energy: 0.5690323468804067
Energy: 0.5552613010412943
Energy: 0.5857403863876625
Energy: 0.5422948572806922
Energy: 0.5573509986658935
Energy: 0.5759151029361109
Energy: 0.5690323468845019
Energy: 0.5552613010419244
Energy: 0.5857403863876625
Energy: 0.5422948572803773
Energy: 0.5017259987819774
Energy: 0.5296430843310869
Energy: 0.5218325481358557
Energy: 0.5654052686010921
Energy: 0.5721191419872516
Energy: 0.5438136937821968
Energy: 0.5017259987810324
Energy: 0.5296430843310869
Energy: 0.5218325481330207
Energy: 0.5654052686020371
Energy: 0.5038172786366294
Energy: 0.5332357167412531
Energy: 0.5182807156390747
Energy: 0.5183443186850882
Energy: 0.5615556915027305
Energy: 0.5585167098288226
Energy: 0.5038172786315894
Energy: 0.5332357167453481
Energy: 0.5182807156422248
Energy: 0.5183443186787883
Energy: 0.5794946502451218
Energy: 0.6223530585844499
Energy: 0.5423828144824511
Energy: 0.5582235423537399
Energy: 0.49944147987165555
Energy: 0.5475255530239912
Energy: 0.5794946502473268
Energy: 0.622353058584765
Energy: 0.5423828144846561
Energy: 0.558223542349015

minimum gb energy = 0.4622466950784035 eV
minimum distance =  2.25561415098609 Angstroms
sigma value = 165


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

Energy: 0.6785213039936284
Energy: 0.6207273081308149
Energy: 0.627757370698513
Energy: 0.6818731279040801
Energy: 0.5872606700464909
Energy: 0.6204979771130551
Energy: 0.6785213039968727
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Energy: 0.6277573706995946
Energy: 0.6471507492517669
Energy: 0.6030660606607435
Energy: 0.6000341515844955
Energy: 0.5429339296910168
Energy: 0.5399814834936216
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Energy: 0.5276923850869948
Energy: 0.6030660606607435
Energy: 0.6000341515844955
Energy: 0.5429339296920737
Energy: 0.5399814834947031
Energy: 0.5952263798509796
Energy: 0.5473049249521481
Energy: 0.6250953718283462
Energy: 0.4857523255088979
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Energy: 0.5723059341005114
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Energy: 0.5838921598555454
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Energy: 0.5652738158011157
Energy: 0.6467161026825411
Energy: 0.6465876874477393
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Energy: 0.5773387498104028
Energy: 0.5276886811631658
Energy: 0.5455613953584314
Energy: 0.5360680561457034
Energy: 0.5563513041054217
Energy: 0.5713252051363225
Energy: 0.5727606812235271
Energy: 0.5276886811566774
Energy: 0.5455613953594882
Energy: 0.5360680561489476
Energy: 0.556351304106503
Energy: 0.4847360347817781
Energy: 0.6250953718251019
Energy: 0.5471242299269786
Energy: 0.5952255004918112
Energy: 0.5695211066520851
Energy: 0.6138909366099794
Energy: 0.4847360347828595
Energy: 0.6250953718294274
Energy: 0.5471242299269786
Energy: 0.5952255004918112
Energy: 0.5400976422351064
Energy: 0.5430737002619608
Energy: 0.6005759184828746
Energy: 0.6026393081409681
Energy: 0.5281019860415959
Energy: 0.5465122482030886
Energy: 0.5400976422307808
Energy: 0.543073700259798
Energy: 0.6005759184893629
Energy: 0.6026393081420496
Energy: 0.6471507492539297
Energy: 0.5872606700508164
Energy: 0.6204979771141363
Energy: 0.6785213039957912
Energy: 0.6207273081275708
Energy: 0.6277573706963503
Energy: 0.6471507492506854
Energy: 0.587260670049735
Energy: 0.6204979771141363
Energy: 0.6785213039936284

minimum gb energy = 0.4847360347817781 eV
minimum distance =  2.24101604155121 Angstroms
sigma value = 41


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

Energy: 0.6541460411790199
Energy: 0.6632785937275774
Energy: 0.7039854509903439
Energy: 0.7216173360100417
Energy: 0.6462146943019313
Energy: 0.6818877105646235
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Energy: 0.6800040211254781
Energy: 0.5833565875947937
Energy: 0.6432874046410152
Energy: 0.6063630414228975
Energy: 0.6000397331375014
Energy: 0.6322591920743525
Energy: 0.6172538304231718
Energy: 0.6554824234084087
Energy: 0.6212144566934316
Energy: 0.6368373124376051
Energy: 0.6000397331320468
Energy: 0.6322591920760309
Energy: 0.6172538304202349
Energy: 0.6554824234079891
Energy: 0.5472345135766333
Energy: 0.6690686800750475
Energy: 0.6517153700315649
Energy: 0.5513628324607963
Energy: 0.5755697819785819
Energy: 0.5227358911656703
Energy: 0.5472345135783117
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Energy: 0.6517153700298867
Energy: 0.5513628324641529
Energy: 0.5397638915472309
Energy: 0.5451769950260128
Energy: 0.5452424193049279
Energy: 0.5706957735351657
Energy: 0.6636294385298148
Energy: 0.5885361542443237
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Energy: 0.54524241930283
Energy: 0.5706957735389417
Energy: 0.7054592250378674
Energy: 0.6829067671136733
Energy: 0.6093264857203202
Energy: 0.6015613278700812
Energy: 0.5433380677533115
Energy: 0.6177865995849882
Energy: 0.7054592250403849
Energy: 0.6829067671140928
Energy: 0.6093264857211594
Energy: 0.6015613278713399
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Energy: 0.5616217529065541
Energy: 0.6344165459604358
Energy: 0.7029874224787006
Energy: 0.6911036689703968
Energy: 0.6687988560407268
Energy: 0.636374953803667
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Energy: 0.6344165459579186
Energy: 0.7029874224740852
Energy: 0.5209195788823757
Energy: 0.646191216098761
Energy: 0.7014022833117792
Energy: 0.651574567595294
Energy: 0.5432308587638132
Energy: 0.5796679390253614
Energy: 0.5209195788844736
Energy: 0.6461912160966631
Energy: 0.7014022833063247
Energy: 0.6515745675973917
Energy: 0.5492926413113516
Energy: 0.5507570874122282
Energy: 0.5345558359807879
Energy: 0.5581643997485186
Energy: 0.6219912411619749
Energy: 0.6623633383761302
Energy: 0.5492926413126102
Energy: 0.5507570874118086
Energy: 0.5345558359900184
Energy: 0.5581643997506164
Energy: 0.6148602771833603
Energy: 0.7022022852197641
Energy: 0.680463567033574
Energy: 0.5863161360331628
Energy: 0.6040643414153058
Energy: 0.565850310915173
Energy: 0.6148602771896539
Energy: 0.7022022852197641
Energy: 0.6804635670331545
Energy: 0.5863161360306454
Energy: 0.6791278688137072
Energy: 0.6284559464359103
Energy: 0.5688785148411426
Energy: 0.6407864905679802
Energy: 0.7030978169733422
Energy: 0.6943448057438939
Energy: 0.6791278688200008
Energy: 0.628455946437169
Energy: 0.5688785148398838
Energy: 0.6407864905700781
Energy: 0.6028049190795667
Energy: 0.58614257148354
Energy: 0.662846598942847
Energy: 0.6090910773489963
Energy: 0.6384285878595091
Energy: 0.6252016969796632
Energy: 0.6028049190749514
Energy: 0.5861425714881172
Energy: 0.6628465989411687
Energy: 0.6090910773489963
Energy: 0.6095730219769893
Energy: 0.607431482680623
Energy: 0.5631003198683201
Energy: 0.5401789345459654
Energy: 0.608312127214438
Energy: 0.6186341394468546
Energy: 0.6095730219799262
Energy: 0.6074314826827207
Energy: 0.5631003198595091
Energy: 0.540178934546385
Energy: 0.5573967757377611
Energy: 0.6855304952765156
Energy: 0.6895683309448866
Energy: 0.5587932281432773
Energy: 0.5723237163846948
Energy: 0.6291048322705151
Energy: 0.5573967757427959
Energy: 0.6855304952739981
Energy: 0.6895683309402714
Energy: 0.5587932281399207
Energy: 0.578063945065635
Energy: 0.6586668262420935
Energy: 0.6181749562007164
Energy: 0.5953677133211759
Energy: 0.6516356914703215
Energy: 0.6369859516709725
Energy: 0.5780639450698306
Energy: 0.6586668262341596
Energy: 0.6181749562015555
Energy: 0.5953677133215954
Energy: 0.6279623998400343
Energy: 0.597079203801104
Energy: 0.5501384539282105
Energy: 0.6430256347580865
Energy: 0.6569421557705952
Energy: 0.6237404088922015
Energy: 0.6279623998379364
Energy: 0.5970792038006845
Energy: 0.550138453933665
Energy: 0.6430256347572473

minimum gb energy = 0.5120312619399733 eV
minimum distance =  2.25071533897461 Angstroms
sigma value = 185


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

Energy: 0.6149308093246294
Energy: 0.645649008105933
Energy: 0.6154895336942818
Energy: 0.6726888471010433
Energy: 0.5800722406298838
Energy: 0.6494686150360484
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Energy: 0.6154895336942818
Energy: 0.6224864140315676
Energy: 0.6051511193301362
Energy: 0.5947479489803401
Energy: 0.597162734919884
Energy: 0.6204536472353132
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Energy: 0.6096541113999995
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Energy: 0.5971627349183898
Energy: 0.6204536472378034
Energy: 0.6114469085363327
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Energy: 0.6501000048159424
Energy: 0.6055086389853325
Energy: 0.5801695577923862
Energy: 0.5797213808428289
Energy: 0.6114469085333444
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Energy: 0.6055086389848344
Energy: 0.6464221583728605
Energy: 0.5575492958379721
Energy: 0.6118973197605718
Energy: 0.6299857809338794
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Energy: 0.5912967580456236
Energy: 0.6464221583703703
Energy: 0.5575492958324935
Energy: 0.6118973197595757
Energy: 0.6299857809333813
Energy: 0.6783726828342771
Energy: 0.5993945720883975
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Energy: 0.5977707147383063
Energy: 0.6783726828347753
Energy: 0.5993945720839152
Energy: 0.5616658041029027
Energy: 0.5930870361081786
Energy: 0.5857648283738246
Energy: 0.5781842557093203
Energy: 0.6386111026404475
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Energy: 0.5675931992289435
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Energy: 0.6386111026384552
Energy: 0.6003165152509832
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Energy: 0.6504409510011252
Energy: 0.6046110876284969
Energy: 0.6822582502695833
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Energy: 0.5830805615020748
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Energy: 0.648939335116927
Energy: 0.6046110876260067
Energy: 0.6822582502705793
Energy: 0.5691242047309432
Energy: 0.5595514822476172
Energy: 0.5959758183411721
Energy: 0.6648650050281157
Energy: 0.6027684512281997
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Energy: 0.5691242047244685
Energy: 0.5595514822486133
Energy: 0.5959758183411721
Energy: 0.6648650050286139
Energy: 0.6274900136871784
Energy: 0.5990239227830028
Energy: 0.569842869966187
Energy: 0.6557762143472046
Energy: 0.5805289773553686
Energy: 0.6164031805525424
Energy: 0.6274900136856841
Energy: 0.5990239227830028
Energy: 0.5698428699671833
Energy: 0.6557762143467065
Energy: 0.6632944917981141
Energy: 0.6562267525512577
Energy: 0.6033407404684239
Energy: 0.6242156699408776
Energy: 0.5769432771290145
Energy: 0.5648371254122121
Energy: 0.6632944918006043
Energy: 0.6562267560390856
Energy: 0.6033407404669296
Energy: 0.6242156699383873
Energy: 0.5848206873688437
Energy: 0.6028176092089926
Energy: 0.5991075361890441
Energy: 0.6103740244832315
Energy: 0.6334405082618729
Energy: 0.5922671781549034
Energy: 0.5848206873598789
Energy: 0.6028176092015218
Energy: 0.5991075360307534
Energy: 0.6103740244862199
Energy: 0.6513402948812399
Energy: 0.5705822723968549
Energy: 0.643477609272391
Energy: 0.6731704388690581
Energy: 0.6433991013278725
Energy: 0.6154895336962739
Energy: 0.6313531273887356
Energy: 0.5705822723938666
Energy: 0.643477609273387
Energy: 0.6731704388695563
Energy: 0.6204536472378034
Energy: 0.5919488141286365
Energy: 0.6334405082603787
Energy: 0.6075836175193893
Energy: 0.5947479489758576
Energy: 0.5971627349158996
Energy: 0.620453647225352
Energy: 0.5919488141366054
Energy: 0.6334405082583866
Energy: 0.6075836175243698
Energy: 0.6082135184328801
Energy: 0.5801695577973669
Energy: 0.5925381683678468
Energy: 0.6114469085328464
Energy: 0.5991021668815177
Energy: 0.6562267469640862
Energy: 0.6082135184323821
Energy: 0.5801695577943786
Energy: 0.5925381683663526
Energy: 0.6114469085353366
Energy: 0.6161979270109635
Energy: 0.61802131113009
Energy: 0.5903618984083062
Energy: 0.64360144647647
Energy: 0.5562973595014539
Energy: 0.6015061198020611
Energy: 0.6161979270119595
Energy: 0.6180213111266035
Energy: 0.5903618984102983
Energy: 0.6436014464774661
Energy: 0.5930870361061865
Energy: 0.6184520832124859
Energy: 0.6030004068086317
Energy: 0.6783726828302927
Energy: 0.5993945720898918
Energy: 0.561665804096428
Energy: 0.5930870361141553
Energy: 0.6184520832209528
Energy: 0.6030004068111219
Energy: 0.6783726828297946
Energy: 0.6003165152524774
Energy: 0.5880754876503208
Energy: 0.5705449257882073
Energy: 0.5621176928909303
Energy: 0.5781842557083241
Energy: 0.6438333725165399
Energy: 0.6003165152519795
Energy: 0.5880754876513169
Energy: 0.5705449257931878
Energy: 0.6202431194214166
Energy: 0.6822582502690852
Energy: 0.5603137837319944
Energy: 0.5830805614931551
Energy: 0.5856415908854999
Energy: 0.6386111026414436
Energy: 0.6071864393378877
Energy: 0.6822582502710774
Energy: 0.5603137836144989
Energy: 0.5830805615001278
Energy: 0.5856415908869941
Energy: 0.6648650050236332
Energy: 0.6027684495773765
Energy: 0.6424026380887335
Energy: 0.5691242047319393
Energy: 0.5651918513119152
Energy: 0.5955391161902128
Energy: 0.6648650050236332
Energy: 0.6027684510096445
Energy: 0.6424026380852471
Energy: 0.5691242047304451
Energy: 0.6557762143472046
Energy: 0.5805289773473997
Energy: 0.6164031805535386
Energy: 0.6274900136901667
Energy: 0.599023922786489
Energy: 0.5698428699696735
Energy: 0.6557762143486987
Energy: 0.5805289773523802
Energy: 0.6164031805495541
Energy: 0.6274900136876765
Energy: 0.6250408532480374
Energy: 0.5769432771315047
Energy: 0.5766811493010134
Energy: 0.6632944918006043
Energy: 0.6501000048542925
Energy: 0.6033407404684239
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Energy: 0.6632944917996083
Energy: 0.6221303533008904
Energy: 0.6096541113895404
Energy: 0.5749929310369549
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Energy: 0.5992145936016832
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Energy: 0.6221303533098552
Energy: 0.6096541113900386
Energy: 0.5749929310409394
Energy: 0.5762366056469658
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Energy: 0.645649008106431
Energy: 0.6154895336917915
Energy: 0.622486414027085
Energy: 0.5800722406328721
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Energy: 0.6149308093594933
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Energy: 0.6154895336937837
Energy: 0.6153508981458481
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Energy: 0.5971627349173937
Energy: 0.6204536472368074
Energy: 0.591948814132621
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Energy: 0.5947479489778497
Energy: 0.5971627349188879
Energy: 0.6204536472397957
Energy: 0.6114469085328464
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Energy: 0.6501000048527984
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Energy: 0.5801695577943786
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Energy: 0.6114469085353366
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Energy: 0.6464221583763469
Energy: 0.55754929583847
Energy: 0.611897319763062
Energy: 0.6299857809373657
Energy: 0.6100717257110626
Energy: 0.5912967580446277
Energy: 0.6464221583723625
Energy: 0.5575492958314974
Energy: 0.6118973197580816
Energy: 0.6299857809323852
Energy: 0.6783726828302927
Energy: 0.599394572092382
Energy: 0.5616658041004124
Energy: 0.5930870361091748
Energy: 0.6577075168753868
Energy: 0.5977707147373102
Energy: 0.6783726828287986
Energy: 0.5993945720883975
Energy: 0.5616658041004124
Energy: 0.5930870361081786
Energy: 0.5729637753501615
Energy: 0.578184255707328
Energy: 0.6351512250917087
Energy: 0.6003165152554657
Energy: 0.599388011171801
Energy: 0.5675931992324298
Energy: 0.5850021839131423
Energy: 0.5781842557058339
Energy: 0.6351512250912108
Energy: 0.6003165152549678
Energy: 0.5762459573813511
Energy: 0.6438333725215204
Energy: 0.6046110876260067
Energy: 0.6822582502685872
Energy: 0.5603137834626829
Energy: 0.5830805614961435
Energy: 0.5762459573818491
Energy: 0.6504409509981369
Energy: 0.6046110876255086
Energy: 0.6822582502695833
Energy: 0.5691242047279548
Energy: 0.5595514822461229
Energy: 0.5959758183471485
Energy: 0.6648650050136722
Energy: 0.6027684522263455
Energy: 0.6424026380952081
Energy: 0.5691242047269588
Energy: 0.5595514822451269
Energy: 0.5959758183461525
Energy: 0.6648650050037112
Energy: 0.627490013683692
Energy: 0.5990239227795615
Energy: 0.5698428699716657
Energy: 0.6557762143482007
Energy: 0.5805289773543725
Energy: 0.6164031805540365
Energy: 0.6274900136856841
Energy: 0.5990239227815085
Energy: 0.5698428699686774
Energy: 0.6557762143462086
Energy: 0.6632944918011024
Energy: 0.6562267324318618
Energy: 0.6033407404689219
Energy: 0.6242156699443641
Energy: 0.5769432771250301
Energy: 0.5648371254147023
Energy: 0.6632944917996083
Energy: 0.6562267732322776
Energy: 0.6033407404659336
Energy: 0.6242156699398815
Energy: 0.5848206873688437
Energy: 0.6028176092089926
Energy: 0.5991075359699907
Energy: 0.6103740244832315
Energy: 0.633440508243943
Energy: 0.5922671781554014
Energy: 0.5848206873583847
Energy: 0.6028176092040121
Energy: 0.599107535792774
Energy: 0.6103740244867178

minimum gb energy = 0.5562973595014539 eV
minimum distance =  2.26169225722359 Angstroms
sigma value = 33


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

Energy: 0.6772936431187734
Energy: 0.6154975733648692
Energy: 0.6680805206317968
Energy: 0.6283336460103165
Energy: 0.6236787376111909
Energy: 0.6021345116384135
Energy: 0.6772936431149456
Energy: 0.6154975733695174
Energy: 0.6680805206274221
Energy: 0.6283336460111367
Energy: 0.6718204252848166
Energy: 0.6314646174056828
Energy: 0.6289497124739314
Energy: 0.5883365285656816
Energy: 0.6045561589199281
Energy: 0.6084014096931524
Energy: 0.671820425286457
Energy: 0.631464617409784
Energy: 0.6289497124673694
Energy: 0.5883365285640411
Energy: 0.5797146168873852
Energy: 0.6315428294558799
Energy: 0.6458344451944695
Energy: 0.6531333678038
Energy: 0.5491220798206045
Energy: 0.5587416221155228
Energy: 0.5797146168868386
Energy: 0.6315428294561534
Energy: 0.64583444519611
Energy: 0.6531333678048937
Energy: 0.6242269390552859
Energy: 0.6023732564997167
Energy: 0.5565199205817294
Energy: 0.6755867497358041
Energy: 0.6262731334940206
Energy: 0.6387701086022499
Energy: 0.6242269390582935
Energy: 0.6023732565065523
Energy: 0.5565199205833699
Energy: 0.6755867497374447
Energy: 0.5698625388460267
Energy: 0.6052090155880763
Energy: 0.6281507283059526
Energy: 0.6896108675632152
Energy: 0.6767390231172773
Energy: 0.5985317645281341
Energy: 0.5698625388534089
Energy: 0.6052090155826079
Energy: 0.6281507283075932
Energy: 0.6896108675648557
Energy: 0.6452140733317905
Energy: 0.5690985641667264
Energy: 0.5450638566545035
Energy: 0.60125410048915
Energy: 0.5890724530608348
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Energy: 0.645214073328236
Energy: 0.5690985641700075
Energy: 0.5450638566539567
Energy: 0.601254100491064
Energy: 0.6411030444532058
Energy: 0.646147822122851
Energy: 0.6527617531021885
Energy: 0.5924111711678464
Energy: 0.5874109158979532
Energy: 0.5680943137155589
Energy: 0.6411030444551197
Energy: 0.6461478221220308
Energy: 0.6527617530964468
Energy: 0.5924111711763222
Energy: 0.6306812576933982
Energy: 0.5930277704855474
Energy: 0.675804403502213
Energy: 0.6298546373492491
Energy: 0.6288769019638422
Energy: 0.6103779731295957
Energy: 0.6306812576890236
Energy: 0.593027770485821
Energy: 0.6758044034994788
Energy: 0.6298546373500693
Energy: 0.5994674617442911
Energy: 0.6061520238048927
Energy: 0.6819098000605587
Energy: 0.6347623631731881
Energy: 0.6153922155293912
Energy: 0.5908942388113502
Energy: 0.599467461747572
Energy: 0.6061520238048927
Energy: 0.6819098000597384
Energy: 0.6347623631660793
Energy: 0.5745553492861675
Energy: 0.5578577105906415
Energy: 0.5795837004410664
Energy: 0.6236500446739422
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Energy: 0.6456194860355177
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Energy: 0.5578577105873603
Energy: 0.5795837004377854
Energy: 0.6236500446720283
Energy: 0.5897929185111127
Energy: 0.6725492548718118
Energy: 0.6512991075222739
Energy: 0.6020263218985021
Energy: 0.5651358751009821
Energy: 0.6720010856581847
Energy: 0.5897929185070114
Energy: 0.6725492548663434
Energy: 0.6512991075244614
Energy: 0.6020263218965882
Energy: 0.6762010115286027
Energy: 0.5994973939857099
Energy: 0.5697109975582472
Energy: 0.5944959166585064
Energy: 0.6253702841454307
Energy: 0.6275775188950694
Energy: 0.6762010115310634
Energy: 0.5994973939909046
Energy: 0.5697109975563331
Energy: 0.5944959166574127
Energy: 0.5874670075568523
Energy: 0.5541222510997394
Energy: 0.6348294104215885
Energy: 0.5582902128805735
Energy: 0.5478833767307305
Energy: 0.6017882397045976
Energy: 0.587467007557946
Energy: 0.5541222511087374
Energy: 0.6348294104300646
Energy: 0.5582902128770191
Energy: 0.5600026157690317
Energy: 0.5686883372680884
Energy: 0.6188834438898964
Energy: 0.6570118692901452
Energy: 0.6615706358092805
Energy: 0.6058658144775843
Energy: 0.5600026157701254
Energy: 0.5686883372656277
Energy: 0.618883443891537
Energy: 0.6570118692909654
Energy: 0.6298639548675229
Energy: 0.6129236539819437
Energy: 0.6418674729198367
Energy: 0.6007112543294153
Energy: 0.702951431619106
Energy: 0.6309684688761235
Energy: 0.6298639548699836
Energy: 0.61292365398085
Energy: 0.6418674729195631
Energy: 0.6007112543193237
Energy: 0.5983284214111759
Energy: 0.5917403960020958
Energy: 0.5996630780321985
Energy: 0.5923710907685599
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Energy: 0.6601290196822353
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Energy: 0.6645303900373911
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Energy: 0.5978485093817124
Energy: 0.553448900910173
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Energy: 0.679064456051403
Energy: 0.6660360645496686
Energy: 0.5382268760408221
Energy: 0.5794746982097794
Energy: 0.6082774604468455
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Energy: 0.6660360645488481
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Energy: 0.6470263093616159
Energy: 0.6435038069504644
Energy: 0.590506792254657
Energy: 0.6040529690808615
Energy: 0.6373776206393231

minimum gb energy = 0.5199126218744842 eV
minimum distance =  2.25602363277087 Angstroms
sigma value = 219


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

Energy: 0.6446648570991044
Energy: 0.5353490331747643
Energy: 0.6092038746482064
Energy: 0.7723067938051544
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Energy: 0.5700571391321431
Energy: 0.6439177439891035
Energy: 0.5326593750582543
Energy: 0.5990649680283947
Energy: 0.6229829456588922
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Energy: 0.6439177439891035
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Energy: 0.5990649680282097
Energy: 0.6229829456603522
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Energy: 0.5355446635894509
Energy: 0.5865671443588779
Energy: 0.6270838205761328
Energy: 0.6052596791558422
Energy: 0.6115717578695506

minimum gb energy = 0.5326593750580693 eV
minimum distance =  2.26121784334913 Angstroms
sigma value = 15


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

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Energy: 0.58722076296138
Energy: 0.6301835351287417
Energy: 0.5837575225086372
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Energy: 0.5826590333112294
Energy: 0.6187836691470512
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minimum gb energy = 0.4954752933111328 eV
minimum distance =  2.26964569905055 Angstroms
sigma value = 293


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

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Energy: 0.5308580560599293
Energy: 0.5415793950242792
Energy: 0.5611581566576596
Energy: 0.511439570567448
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Energy: 0.5664468927275352
Energy: 0.5865386932306987
Energy: 0.5415793950242792
Energy: 0.5611581566588858
Energy: 0.5114395705666306
Energy: 0.5520936945804272
Energy: 0.5214719784959874
Energy: 0.6077855968909507
Energy: 0.5259013659737808
Energy: 0.5897273573008683
Energy: 0.5160806319689826
Energy: 0.6870091967831629
Energy: 0.5214719784923089
Energy: 0.6077855968917681
Energy: 0.5259013659754157
Energy: 0.5897273572984161
Energy: 0.514438872938778
Energy: 0.5756948412122332
Energy: 0.5098969684056615
Energy: 0.6134555867781901
Energy: 0.5011543729722272
Energy: 0.6808147387451484
Energy: 0.5144388729383692
Energy: 0.5756948412122332
Energy: 0.5098969684068876
Energy: 0.6134555867785988
Energy: 0.6230362412661457
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Energy: 0.5726572209258777
Energy: 0.5192373213147287
Energy: 0.5967641113169455
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Energy: 0.5192373213147287
Energy: 0.6927126850736594
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Energy: 0.5929940730291833
Energy: 0.6255587792965033
Energy: 0.5929034958441102
Energy: 0.5723129435472349
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Energy: 0.5929940730295921
Energy: 0.6255587792944597
Energy: 0.6211419663667047
Energy: 0.5667573748734456
Energy: 0.5967214226695547
Energy: 0.518893528094147
Energy: 0.5727069002706067
Energy: 0.5640908508682126
Energy: 0.6211419663622085
Energy: 0.5667573748722193
Energy: 0.596721422670781
Energy: 0.5188935280953731
Energy: 0.5144512558627793
Energy: 0.6806537111647759
Energy: 0.5016740654840981
Energy: 0.6213783827505266
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Energy: 0.5756331990660584
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Energy: 0.6806537111655934
Energy: 0.5016740654832806
Energy: 0.6213783827505266
Energy: 0.5214493933797558
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Energy: 0.5961443676942024
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Energy: 0.5961443676950198
Energy: 0.5416134563625845
Energy: 0.5865386932299186
Energy: 0.5663930463751925
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Energy: 0.5114395705666306
Energy: 0.5613395913033463
Energy: 0.5416134563638108
Energy: 0.5865386932306987
Energy: 0.5663930463739664
Energy: 0.5529992033729216
Energy: 0.5248065241754862
Energy: 0.5112455511288614
Energy: 0.6131425941099712
Energy: 0.5309489236063036
Energy: 0.6445419837660011
Energy: 0.5095247825108259
Energy: 0.524806524178756
Energy: 0.5112455511276351
Energy: 0.6131425941103799
Energy: 0.5309489236067124
Energy: 0.5938639969051605
Energy: 0.5111438670224541
Energy: 0.657596630503037
Energy: 0.5646675023365142
Energy: 0.6958828831017719
Energy: 0.5638463768614432
Energy: 0.5938639969076129
Energy: 0.5111438670228629
Energy: 0.657596630505861
Energy: 0.564667502336923
Energy: 0.5658944692844633
Energy: 0.568533100756184
Energy: 0.5684496245305041
Energy: 0.5658406359729924
Energy: 0.5135281915998163
Energy: 0.5135833355192967
Energy: 0.5658944692840546
Energy: 0.5685331007541404
Energy: 0.5684496245288692
Energy: 0.5658406359729924
Energy: 0.5648214701366104
Energy: 0.6574917914839948
Energy: 0.5111141842552679
Energy: 0.5940363918272419
Energy: 0.5638104441382437
Energy: 0.6958383653619078
Energy: 0.5648214701362018
Energy: 0.6574917914835862
Energy: 0.511114184258129
Energy: 0.5940363918272419
Energy: 0.5308580560566595
Energy: 0.6132480650818257
Energy: 0.5115290845415532
Energy: 0.5250461667927836
Energy: 0.509587379163469
Energy: 0.6416281596046169
Energy: 0.530858056055842
Energy: 0.6132480650818257
Energy: 0.5115290845399183
Energy: 0.5250461667915575
Energy: 0.5520936945787923
Energy: 0.5664468927267178
Energy: 0.5865386932299186
Energy: 0.5415793950267315
Energy: 0.5611581566605207
Energy: 0.511439570571944
Energy: 0.5520936945767487
Energy: 0.5664468927250829
Energy: 0.5865386932286923
Energy: 0.5415793950271403
Energy: 0.5897273572963723
Energy: 0.516080631974259
Energy: 0.6870091967864328
Energy: 0.5214719784963961
Energy: 0.6077855968938117
Energy: 0.5259013659733721
Energy: 0.5897273572959636
Energy: 0.5160806319722153
Energy: 0.6870091967852066
Energy: 0.5214719784980311

minimum gb energy = 0.5011543729722272 eV
minimum distance =  2.27072771743864 Angstroms
sigma value = 293


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

Energy: 0.5110672401901165
Energy: 0.40921101138439175
Energy: 0.42149008245339625
Energy: 0.5662770111984967
Energy: 0.4212681432000253
Energy: 0.4089326508360677
Energy: 0.5110672401893779
Energy: 0.40921101138660787
Energy: 0.4214900824489639
Energy: 0.5101441804429245
Energy: 0.5136160428881109
Energy: 0.5753774864310587
Energy: 0.39526439128370866
Energy: 0.4642668574657458
Energy: 0.4903124078689241
Energy: 0.4703098054702294
Energy: 0.5136160428895883
Energy: 0.5116661176425916
Energy: 0.3952643912851861
Energy: 0.4642668574642684
Energy: 0.4022213195031108
Energy: 0.48542159405896584
Energy: 0.4651992518836854
Energy: 0.5264055323050622
Energy: 0.4146110053555038
Energy: 0.3812479839078798
Energy: 0.40222131950237205
Energy: 0.48542159405896584
Energy: 0.4651992518822079
Energy: 0.5264055323050622
Energy: 0.4657252780864179
Energy: 0.4854052158338025
Energy: 0.40269817270417696
Energy: 0.38090230444179496
Energy: 0.4148645260068744
Energy: 0.5264091419409105
Energy: 0.46572527808567915
Energy: 0.4854052158367574
Energy: 0.40269817270639313
Energy: 0.3809023044425337
Energy: 0.3953279089316178
Energy: 0.6108655268393803
Energy: 0.5141344285823428
Energy: 0.47028419121014325
Energy: 0.4901394530343205
Energy: 0.5415525619307513
Energy: 0.39532790893014036
Energy: 0.6108655268393803
Energy: 0.5141344285830816
Energy: 0.47028419120940457
Energy: 0.42126814320150274
Energy: 0.4089326508360677
Energy: 0.5110672401893779
Energy: 0.40921101138439175
Energy: 0.4214900824519188
Energy: 0.5975848659759515
Energy: 0.42126814320150274
Energy: 0.40893265083680647
Energy: 0.5110672401901165
Energy: 0.409211011383653
Energy: 0.4903124078689241
Energy: 0.4703098054709682
Energy: 0.5136160428888495
Energy: 0.6048060938728202
Energy: 0.39526439128370866
Energy: 0.46426685746500707
Energy: 0.4903124078689241
Energy: 0.4703098054702294
Energy: 0.5136160428895883
Energy: 0.6086575641674424
Energy: 0.4146110053555038
Energy: 0.38124798390566356
Energy: 0.40222131950237205
Energy: 0.48542159405822716
Energy: 0.4651992518836854
Energy: 0.5264055323050622
Energy: 0.4146110053555038
Energy: 0.38124798390861847
Energy: 0.4022213195016333
Energy: 0.4854215940574884
Energy: 0.4148645260076131
Energy: 0.5264091419401719
Energy: 0.4657252780864179
Energy: 0.4854052158345412
Energy: 0.40269817270491565
Energy: 0.3809023044425337
Energy: 0.41486452600613566
Energy: 0.5264091419394331
Energy: 0.46572527808715664
Energy: 0.48540521583601864
Energy: 0.4901394530350593
Energy: 0.5897326535562146
Energy: 0.39532790893235653
Energy: 0.5410380502071694
Energy: 0.5141344285830816
Energy: 0.47028419120940457
Energy: 0.490139453035798
Energy: 0.5575305528910092
Energy: 0.39532790893087905
Energy: 0.5410380502093858
Energy: 0.4214900824497026
Energy: 0.5443374851288586
Energy: 0.4212681432000253
Energy: 0.4089326508360677
Energy: 0.5110672401901165
Energy: 0.40921101138439175
Energy: 0.4214900824526575
Energy: 0.5849534443780411
Energy: 0.42126814320150274
Energy: 0.4089326508360677
Energy: 0.39526439128370866
Energy: 0.46426685746500707
Energy: 0.4903124078696628
Energy: 0.4703098054709682
Energy: 0.5136160428873722
Energy: 0.6086575641689199
Energy: 0.3952643912844474
Energy: 0.4642668574657458
Energy: 0.4903124078689241
Energy: 0.4703098054709682
Energy: 0.4651992518836854
Energy: 0.5264055323050622
Energy: 0.41461100535624257
Energy: 0.3812479839064023
Energy: 0.4022213195031108
Energy: 0.485421594061182
Energy: 0.46519925188442407
Energy: 0.526405532302846
Energy: 0.4146110053555038
Energy: 0.3812479839078798
Energy: 0.40269817270639313
Energy: 0.3809023044425337
Energy: 0.41486452600835183
Energy: 0.5264091419394331
Energy: 0.46572527808715664
Energy: 0.48540521583601864
Energy: 0.40269817270639313
Energy: 0.3809023044425337
Energy: 0.4148645260068744
Energy: 0.5264091419416492
Energy: 0.5141344285830816
Energy: 0.47028419120940457
Energy: 0.4901394530350593
Energy: 0.4702395563321232
Energy: 0.39532790893235653
Energy: 0.4358715016031598
Energy: 0.5141344285830816
Energy: 0.47028419121014325
Energy: 0.490139453035798
Energy: 0.4702395563336007
Energy: 0.5110672401893779
Energy: 0.409211011383653
Energy: 0.4214900824497026
Energy: 0.529146126819256
Energy: 0.42126814320076406
Energy: 0.40893265083680647
Energy: 0.5110672401901165
Energy: 0.409211011383653
Energy: 0.42149008245339625
Energy: 0.5291461268207335
Energy: 0.5136160428888495
Energy: 0.5753774864303198
Energy: 0.39526439128297
Energy: 0.46426685746500707
Energy: 0.4903124078689241
Energy: 0.4703098054709682
Energy: 0.5136160428873722
Energy: 0.5753774864303198
Energy: 0.3952643912822312
Energy: 0.4642668574642684
Energy: 0.4022213195016333
Energy: 0.4854215940597046
Energy: 0.4651992518836854
Energy: 0.5264055323050622
Energy: 0.41461100535624257
Energy: 0.38124798390566356
Energy: 0.40222131950606577
Energy: 0.48542159406044333
Energy: 0.4651992518836854
Energy: 0.5264055323043235
Energy: 0.46572527808789543
Energy: 0.4854052158374961
Energy: 0.40269817270860936
Energy: 0.38090230444179496
Energy: 0.41486452600835183
Energy: 0.5264091419394331
Energy: 0.46572527808715664
Energy: 0.4854052158367574
Energy: 0.4026981727019608
Energy: 0.38090230444179496
Energy: 0.39532790893087905
Energy: 0.43587150160389854
Energy: 0.5141344285838203
Energy: 0.4702841912086658
Energy: 0.4901394530350593
Energy: 0.4702395563336007
Energy: 0.39532790893087905
Energy: 0.4358715016031598
Energy: 0.5141344285823428
Energy: 0.47028419121014325
Energy: 0.42126814320150274
Energy: 0.408932650835329
Energy: 0.5110672401893779
Energy: 0.409211011383653
Energy: 0.4214900824467477
Energy: 0.5291461268229496
Energy: 0.4212681432022415
Energy: 0.40893265083680647
Energy: 0.5110672401893779
Energy: 0.40921101138439175
Energy: 0.4903124078689241
Energy: 0.4703098054702294
Energy: 0.5136160428881109
Energy: 0.5753774864288423
Energy: 0.3952643912822312
Energy: 0.4642668574642684
Energy: 0.4903124078696628
Energy: 0.4703098054709682
Energy: 0.5136160428858946
Energy: 0.5753774864295812

minimum gb energy = 0.38090230444179496 eV
minimum distance =  2.26927998969565 Angstroms
sigma value = 15


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

Energy: 0.7837896084994498
Energy: 0.5670868235246068
Energy: 0.5726230803421284
Energy: 0.6189281619656172
Energy: 0.5727177241439156
Energy: 0.5540726361255474
Energy: 0.7837896085014588
Energy: 0.5670868235202535
Energy: 0.572623080345477
Energy: 0.6086180716086308
Energy: 0.5962353561964142
Energy: 0.5993659292655302
Energy: 0.5717161643733781
Energy: 0.5851082058368962
Energy: 0.607600647000736
Energy: 0.5922055159214858
Energy: 0.5962353561954095
Energy: 0.5993659292655302
Energy: 0.5717161643740479
Energy: 0.5851082058352218
Energy: 0.555505610941292
Energy: 0.5662423100010759
Energy: 0.5750922902636717
Energy: 0.6037827264723911
Energy: 0.5834830667293661
Energy: 0.6607802542484695
Energy: 0.5555056109416269
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Energy: 0.5750922902643414
Energy: 0.6037827264730607
Energy: 0.6051714833674308
Energy: 0.5843476095225976
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Energy: 0.6075583303151183
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Energy: 0.6157643697761979
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Energy: 0.5843476095246067
Energy: 0.5664814397976813
Energy: 0.6075583303154531
Energy: 0.6262141387346892
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Energy: 0.5997308915822708
Energy: 0.5900238643104084
Energy: 0.616844597672319
Energy: 0.5999341510783524
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Energy: 0.5799788916181519
Energy: 0.5997308915822708
Energy: 0.5900238643127526
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Energy: 0.532487091431102
Energy: 0.6708982204890731
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Energy: 0.5324870914337809
Energy: 0.6708982204900776
Energy: 0.5956887394297988
Energy: 0.5565675193866565
Energy: 0.6069405706490137
Energy: 0.6248158358255043
Energy: 0.5958306314618106
Energy: 0.5755425929872823
Energy: 0.5724177113799053
Energy: 0.5565675193893354
Energy: 0.6069405706500183
Energy: 0.6248158358224905
Energy: 0.5958306314604711
Energy: 0.5335041035705098
Energy: 0.5970677974111139
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Energy: 0.6030336743674329
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Energy: 0.5335041035731888
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Energy: 0.5895452070179203
Energy: 0.6232662924940363
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Energy: 0.5784039678836164
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Energy: 0.5813695353899813
Energy: 0.6232662924950408
Energy: 0.6149341846922425
Energy: 0.5979553077432294
Energy: 0.578403967884956
Energy: 0.6322729202916936
Energy: 0.56387016052615
Energy: 0.5950884289670743
Energy: 0.5533978367011347
Energy: 0.5980196820700836
Energy: 0.5698674913004151
Energy: 0.6322729202920283
Energy: 0.5638701605251454
Energy: 0.5950884289650652
Energy: 0.5533978367031438
Energy: 0.6101068658182601
Energy: 0.6033666525989614
Energy: 0.5155307573159654
Energy: 0.577754030097437
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Energy: 0.5823445488420371
Energy: 0.6101068658165858
Energy: 0.6033666525969521
Energy: 0.5155307573202883
Energy: 0.5777540300977719
Energy: 0.5815858832391727
Energy: 0.6052496608041754
Energy: 0.5874718590551292
Energy: 0.5511643653632049
Energy: 0.5965829769715565
Energy: 0.6039934525032822
Energy: 0.5815858832408469
Energy: 0.6052496608028358
Energy: 0.5874718590504412
Energy: 0.5511643653648793
Energy: 0.5748384864516035
Energy: 0.5552232814055328
Energy: 0.5351359705242031
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Energy: 0.5904710731794114
Energy: 0.6265577079212733
Energy: 0.5748384864509337
Energy: 0.5552232814035236
Energy: 0.5351359705235335
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Energy: 0.572024480859057
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Energy: 0.547023815427943
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Energy: 0.6049401262545776
Energy: 0.5995066028857573
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Energy: 0.5470238154292825
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Energy: 0.586815933228853
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Energy: 0.5813116558636916
Energy: 0.5868159332305273
Energy: 0.5745860287253821
Energy: 0.5652674792179248
Energy: 0.5693597043657536
Energy: 0.5996375815223176
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Energy: 0.5795497044804134
Energy: 0.5980619572464634
Energy: 0.5606273122867842
Energy: 0.5903983857382703
Energy: 0.5996375815233222
Energy: 0.5790283751308352
Energy: 0.5795497044810833
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Energy: 0.5598646189895701
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Energy: 0.5972972819764026
Energy: 0.6082734750441701
Energy: 0.5634797902895441
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Energy: 0.5855071568385851
Energy: 0.6052322517503826
Energy: 0.5992809771839804
Energy: 0.5822706237986855
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Energy: 0.5950683889750903
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Energy: 0.5807633139445808
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Energy: 0.5734660114464607
Energy: 0.611082527681517
Energy: 0.5541988985426782
Energy: 0.6707631949110231
Energy: 0.5807633139425717
Energy: 0.6175693577645462
Energy: 0.5734660114484699
Energy: 0.6110825276798426
Energy: 0.5947414862345235
Energy: 0.5799587369252723
Energy: 0.5732885759328264
Energy: 0.5648144806967434
Energy: 0.6311320591546997
Energy: 0.553340524790781
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Energy: 0.5799587369242679
Energy: 0.5732885759308172
Energy: 0.5648144806957387
Energy: 0.5911714057878672
Energy: 0.5944137254278474
Energy: 0.5713813774502515
Energy: 0.5995701202507411
Energy: 0.5969730535627205
Energy: 0.5325258589591058
Energy: 0.5911714057871975
Energy: 0.5944137254281823
Energy: 0.5713813774479074
Energy: 0.5995701202520805
Energy: 0.5963329305087336
Energy: 0.5785907090744984
Energy: 0.5812195220241003
Energy: 0.5988103340836884
Energy: 0.6442794033045235
Energy: 0.6113848193280061
Energy: 0.5963329305080639
Energy: 0.5785907090741635
Energy: 0.5812195220251049
Energy: 0.5988103340843581
Energy: 0.5936575997943813
Energy: 0.6202199677600192
Energy: 0.5679674228916238
Energy: 0.6325584371682907
Energy: 0.5432815182790361
Energy: 0.6038547656925353
Energy: 0.5936575997937116
Energy: 0.6202199677623632
Energy: 0.5679674228936331
Energy: 0.6325584371692954
Energy: 0.5764640113499077
Energy: 0.6072993027101877
Energy: 0.5820788317796793
Energy: 0.575990612515786
Energy: 0.5813223736167369
Energy: 0.5746646687565837
Energy: 0.5764640113509122
Energy: 0.6072993027115272
Energy: 0.5820788317793444
Energy: 0.5759906125167906
Energy: 0.6268427375755118
Energy: 0.6229481004923583
Energy: 0.6058988409062056
Energy: 0.5820939285051958
Energy: 0.5569194844723885
Energy: 0.5967391335093054
Energy: 0.6268427375758467
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Energy: 0.5820939285018473
Energy: 0.7044257827372559
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Energy: 0.5839893479194668
Energy: 0.5866777557324508
Energy: 0.6052310219362307
Energy: 0.5569212352869456
Energy: 0.704425782739265
Energy: 0.5776809923153753
Energy: 0.5839893479187971
Energy: 0.5866777557317812
Energy: 0.5481640719968432
Energy: 0.5922647543255958
Energy: 0.5717947205793789
Energy: 0.5758140377827523
Energy: 0.5978782630082861
Energy: 0.6660700855010051
Energy: 0.5481640719978479
Energy: 0.5922647543242563
Energy: 0.5717947205777046
Energy: 0.5758140377820826
Energy: 0.5332453686705628
Energy: 0.6071126020199858
Energy: 0.615470591798289
Energy: 0.5702749867150197
Energy: 0.5815292804759105
Energy: 0.7144152464234972
Energy: 0.5332453686695582
Energy: 0.6071126020240043
Energy: 0.6154705917999633
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Energy: 0.5807096070331659
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Energy: 0.592768506552853
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Energy: 0.5949398775947043
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Energy: 0.6263624643635054
Energy: 0.5403386365985443
Energy: 0.60513756127151
Energy: 0.5965735001121579
Energy: 0.5915058873609218
Energy: 0.5640275547574064
Energy: 0.6117947160892939
Energy: 0.5417845004144857
Energy: 0.6265542820978781
Energy: 0.5757721533447736
Energy: 0.604146231171599
Energy: 0.5828942966999935
Energy: 0.6117947160859453
Energy: 0.5417845004141508
Energy: 0.626554282098213
Energy: 0.5757721533407552
Energy: 0.5765008136721509
Energy: 0.5905122474893822
Energy: 0.6420681432764163
Energy: 0.6195369220490767
Energy: 0.5776570571449129
Energy: 0.5938948278906478
Energy: 0.576500813671816
Energy: 0.5905122474850288
Energy: 0.6420681432800998
Energy: 0.6195369220467327
Energy: 0.5317668506307096
Energy: 0.7181641578538445
Energy: 0.6002494718569374
Energy: 0.5615379266596352
Energy: 0.59736978108939
Energy: 0.6059062606219155
Energy: 0.5317668506303748
Energy: 0.7181641578528398
Energy: 0.6002494718552631
Energy: 0.5615379266616444
Energy: 0.547698133617598
Energy: 0.6542765732425115
Energy: 0.6014408733523094
Energy: 0.5783992721922231
Energy: 0.5757487868241941
Energy: 0.5949396193046836
Energy: 0.5476981336196072
Energy: 0.6542765732405024
Energy: 0.6014408733516398
Energy: 0.5783992721945671
Energy: 0.7044540145461201
Energy: 0.5541017897937146
Energy: 0.604612289094736
Energy: 0.5796508572978617
Energy: 0.5983682356675208
Energy: 0.5702448388211865
Energy: 0.7044540145434411
Energy: 0.5541017897927101
Energy: 0.604612289092392
Energy: 0.5796508572992012
Energy: 0.6061735422724531
Energy: 0.568431814492855
Energy: 0.5519066079185454
Energy: 0.5928050434876342
Energy: 0.5858583938770686
Energy: 0.6149928991695156
Energy: 0.6061735422684347
Energy: 0.5684318144918503
Energy: 0.5519066079192153
Energy: 0.5928050434876342
Energy: 0.5729488445889159
Energy: 0.5537490226595818
Energy: 0.5503542456835758
Energy: 0.5804624009656579
Energy: 0.5636444489894538
Energy: 0.6021125282603877
Energy: 0.5729488445909251
Energy: 0.5537490226615911
Energy: 0.5503542456822365
Energy: 0.580462400965323
Energy: 0.6058454231224528
Energy: 0.562505890515597
Energy: 0.5658987598990388
Energy: 0.5707544338327526
Energy: 0.571551030527229
Energy: 0.6051293420287632
Energy: 0.6058454231251318
Energy: 0.562505890515597
Energy: 0.5658987598997085
Energy: 0.5707544338387802
Energy: 0.572423600863614
Energy: 0.605022468154747
Energy: 0.5736425991828601
Energy: 0.5813983482404143
Energy: 0.6034915909081026
Energy: 0.5775299577534113
Energy: 0.5724236008639488
Energy: 0.6050224681520681
Energy: 0.5736425991798463
Energy: 0.5813983482461068
Energy: 0.5960508128190987
Energy: 0.5357884934961166
Energy: 0.6013232775165807
Energy: 0.5832271980973356
Energy: 0.605112971053212
Energy: 0.5610573561170081
Energy: 0.5960508128211078
Energy: 0.5357884934937724
Energy: 0.60132327751859
Energy: 0.5832271980976703
Energy: 0.6015930338483859
Energy: 0.5575626017071446
Energy: 0.6483283456584042
Energy: 0.588396814994639
Energy: 0.5822862892312256
Energy: 0.5784614579746243
Energy: 0.6015930338463766
Energy: 0.5575626017051354
Energy: 0.6483283456584042
Energy: 0.5883968149963135
Energy: 0.5786693429026576
Energy: 0.6387187275395033
Energy: 0.5635004947209467
Energy: 0.6064789869370276
Energy: 0.5717560680531941
Energy: 0.5777197159136627
Energy: 0.578669342901653
Energy: 0.6387187275348152
Energy: 0.563500494717263
Energy: 0.6064789869376973
Energy: 0.5810098928220981
Energy: 0.5908417807010317
Energy: 0.6488827561142668
Energy: 0.5462709972294841
Energy: 0.586401024431448
Energy: 0.5795791364392832
Energy: 0.5810098928214283
Energy: 0.590841780700362
Energy: 0.648882756108909
Energy: 0.5462709972294841
Energy: 0.6060243172598638
Energy: 0.5987903619941102
Energy: 0.5652812967852331
Energy: 0.5722724911063323
Energy: 0.5613644284138591
Energy: 0.6012874072499699
Energy: 0.6060243172605336
Energy: 0.5987903619947799
Energy: 0.5652812967932699
Energy: 0.5722724911063323
Energy: 0.5925496174586642
Energy: 0.6440720736072248
Energy: 0.5987460024339356
Energy: 0.6033749543750839
Energy: 0.5892968514627728
Energy: 0.5856870418861155
Energy: 0.5925496174536411
Energy: 0.6440720736075597
Energy: 0.5987460024362796
Energy: 0.6033749543744142
Energy: 0.5720554322148554
Energy: 0.5670073843101856
Energy: 0.5479280807213603
Energy: 0.57055195559243
Energy: 0.6320785116727319
Energy: 0.5893103001942226
Energy: 0.5720554322132116
Energy: 0.5670073843078416
Energy: 0.5479280807203557
Energy: 0.5705519555930998

minimum gb energy = 0.5155307573159654 eV
minimum distance =  2.28702507093478 Angstroms
sigma value = 437


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

Energy: 0.7327168073536967
Energy: 0.6014721263731352
Energy: 0.6245732614256949
Energy: 0.6179569841826721
Energy: 0.5542397805295022
Energy: 0.5862534456465023
Energy: 0.7327168073536967
Energy: 0.6014721263706952
Energy: 0.6245732614256949
Energy: 0.571096028871749
Energy: 0.5861582277607886
Energy: 0.6419697278981629
Energy: 0.5897291553561763
Energy: 0.6162409198449592
Energy: 0.6199388773893412
Energy: 0.6424154186369492
Energy: 0.5861582277583486
Energy: 0.6419697279030427
Energy: 0.5897291553586163
Energy: 0.6162409198498393
Energy: 0.53105546863017
Energy: 0.5769045325128774
Energy: 0.6006900436207653
Energy: 0.6144887909383584
Energy: 0.5886361223756347
Energy: 0.6036412102301105
Energy: 0.53105546862773
Energy: 0.5769045325177574
Energy: 0.6006900436171054
Energy: 0.6144887909383584
Energy: 0.6378968257420985
Energy: 0.5862503717020701
Energy: 0.6426556929818873
Energy: 0.6007114267581016
Energy: 0.5496504119023832
Energy: 0.6129346604273768
Energy: 0.6378968257481983
Energy: 0.58625037170451
Energy: 0.6426556929843272
Energy: 0.6007114267581016
Energy: 0.5789529540077875
Energy: 0.5921208170547217
Energy: 0.6387062114197805
Energy: 0.5973282531859211
Energy: 0.635945180566787
Energy: 0.5832931094184991
Energy: 0.5789529540077875
Energy: 0.5921208170498419
Energy: 0.6387062114234403
Energy: 0.597328253190801
Energy: 0.5394416428256988
Energy: 0.5655451107784766
Energy: 0.630169783527487
Energy: 0.5720428206688366
Energy: 0.6400082299774204
Energy: 0.5687500814355111
Energy: 0.5394416428281389
Energy: 0.5655451107760365
Energy: 0.630169783527487
Energy: 0.5720428206712765
Energy: 0.5791048800470033
Energy: 0.6356705685683248
Energy: 0.6340131736058432
Energy: 0.6034109267084423
Energy: 0.6029367715934233
Energy: 0.5771515447223782
Energy: 0.5791048800531032
Energy: 0.6356705685732047
Energy: 0.6340131736046232
Energy: 0.6034109267047824
Energy: 0.5411343872744545
Energy: 0.5794304838298288
Energy: 0.6315450448715703
Energy: 0.5966709945322682
Energy: 0.5836969246540621
Energy: 0.5894384358450343
Energy: 0.5411343872781142
Energy: 0.5794304838322687
Energy: 0.63154504487523
Energy: 0.5966709945347082
Energy: 0.6300608319860562
Energy: 0.5926744136263233
Energy: 0.6035914794374911
Energy: 0.5976404303491926
Energy: 0.5873265852864341
Energy: 0.5970529552667688
Energy: 0.630060831988496
Energy: 0.5926744136226635
Energy: 0.6035914794411511
Energy: 0.5976404303504126
Energy: 0.59590398404173
Energy: 0.5900738370212649
Energy: 0.6591588498923883
Energy: 0.5599387944788565
Energy: 0.6142649571362914
Energy: 0.5846921582220196
Energy: 0.59590398404295
Energy: 0.590073837026145
Energy: 0.6591588498936083
Energy: 0.5599387944751966
Energy: 0.6768837704379361
Energy: 0.6163522395037975
Energy: 0.5851485290235514
Energy: 0.5990560946572011
Energy: 0.633336532713225
Energy: 0.6331500097465378
Energy: 0.676883770439156
Energy: 0.6163522395037975
Energy: 0.5851485290235514
Energy: 0.5990560946572011
Energy: 0.5776053046053714
Energy: 0.5779384348496179
Energy: 0.6008601988477448
Energy: 0.5948670512728671
Energy: 0.5840384001983042
Energy: 0.5752173788152847
Energy: 0.5776053046187911
Energy: 0.577938434845958
Energy: 0.6008601988489648
Energy: 0.5948670512765271
Energy: 0.6909618987581511
Energy: 0.5949072335565897
Energy: 0.6075390392515506
Energy: 0.5990598603930821
Energy: 0.5683899312337686
Energy: 0.5798073319231523
Energy: 0.6909618987544911
Energy: 0.5949072335578097
Energy: 0.6075390392491107
Energy: 0.5990598603918622
Energy: 0.5955321647991269
Energy: 0.56299231736304
Energy: 0.6044634071996065
Energy: 0.5432959573481366
Energy: 0.6307361986132312
Energy: 0.5864971208241923
Energy: 0.5955321648406061
Energy: 0.5629923173606001
Energy: 0.6044634071971665
Energy: 0.5432959573505766

minimum gb energy = 0.53105546862773 eV
minimum distance =  2.26501489812256 Angstroms
sigma value = 33