Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
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=2.8664999604225163
cohesive_energy=4.316339488656242
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.71738624797314e-25, 1.0098695563531739e-19, 2.0339311933303198e-19, 2.8320074182584e-19, 3.4680715419563997e-19, 3.9942263485619994e-19, 4.44084910705584e-19, 4.8259162392714e-19, 5.1578071290045e-19, 5.44768894739412e-19, 5.70257922809718e-19, 5.924833170765659e-19, 6.117062323312979e-19, 6.28200640778328e-19, 6.4222449285573e-19, 6.540309324716759e-19, 6.638602861212659e-19, 6.71911223707116e-19, 6.783631890122339e-19, 6.83371593170118e-19, 6.870758255479259e-19, 6.895944472165739e-19, 6.910380083638079e-19, 6.914994352343999e-19, 6.91001158301226e-19, 6.89358927251376e-19, 6.863228025299459e-19, 6.8160599451945e-19, 6.748736483033819e-19, 6.657332306064119e-19, 6.537265189112159e-19, 6.383135796921359e-19, 6.1885674664884e-19, 5.945885771736419e-19, 5.64643895884182e-19, 5.28127086042054e-19, 4.83974302362282e-19, 4.30894190477862e-19, 3.6731501511084e-19, 2.9107063345204797e-19, 1.9898873576616598e-19, 8.675834538409019e-20, -5.0077312436977196e-20, -2.18701917070902e-19, -4.3073717716772996e-19, -7.002761588354519e-19, -1.044590326188588e-18, -1.4863809199542838e-18, -2.0578516904759397e-18, -2.8102498595686797e-18, -3.86034846902496e-18, -5.41740780901152e-18, -7.87740583462146e-18, -1.2039235880866199e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014976294452910613
Energy: 0.015390168855694967
Energy: 0.09285377449515463
Energy: 0.09278715856137998
Energy: 0.10982566021044983
Energy: 0.09127181196814647
Energy: 0.10741768308065403
Energy: 0.09195765551028859
Energy: 0.09444192162306364
Energy: 0.018175872388281285
Energy: 0.015224918527709762
Energy: 0.0911953861204861
Energy: 0.10871059796620032
Energy: 0.015827370195864037
Energy: 0.01643322348527754
Energy: 0.09155477389467978
Energy: 0.09120527585769689
Energy: 0.1075690923974398
Energy: 0.09120645302328771
Energy: 0.10933933524850008
Energy: 0.0919440660381025
Energy: 0.0914735552857622
Energy: 0.10734977432027859
Energy: 0.015315440133330699
Energy: 0.09262701953759854
Energy: 0.10725184447989528
Energy: 0.017111897576388767
Energy: 0.015353993057815247
Energy: 0.10737446714309364
Energy: 0.09268448689596137
Energy: 0.016658585246899883
Energy: 0.10803787704317516
Energy: 0.09119013036420365
Energy: 0.09151084089483658
Energy: 0.0966477087007301
Energy: 0.0911423864900388
Energy: 0.01614192676281922
Energy: 0.01577305345334417
Energy: 0.09131991144022333
Energy: 0.015171384320524488
Energy: 0.017145324177290342
Energy: 0.09374533130641798
Energy: 0.09157645469787834
Energy: 0.016048609729344597
Energy: 0.015251276377573796
Energy: 0.09107839059242259
Energy: 0.09393243335269844
Energy: 0.09278109489622337
Energy: 0.0914232686861945
Energy: 0.015070541412200619
Energy: 0.09156594246672735
Energy: 0.09493009839010495
Energy: 0.10959170192567291
Energy: 0.015686509635046083
Energy: 0.015376611815681947
Energy: 0.0917340041186905
Energy: 0.01578394016421922
Energy: 0.01714739631452297
Energy: 0.1084166619100752
Energy: 0.09165323106269233
Energy: 0.01519954124459554
Energy: 0.1079689546946864
Energy: 0.09129827680520104
Energy: 0.10744761847803617
Energy: 0.09172500748533588
Energy: 0.10734124067646302
Energy: 0.0156420812606197
Energy: 0.017104242348624895
Energy: 0.10736473046014701
Energy: 0.09169151339494731

minimum gb energy = 0.014976294452910613 eV
minimum distance =  2.48207527551057 Angstroms
sigma value = 3


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

Energy: 1.672442281121831
Energy: 1.5651321853162214
Energy: 1.574674622712717
Energy: 1.4646819391057992
Energy: 1.590493026062342
Energy: 1.5498503021226375
Energy: 1.568686246297018
Energy: 1.5530403644697168
Energy: 1.5730367324152033
Energy: 1.548472358203584
Energy: 1.4852197484781957
Energy: 1.4838426281167467
Energy: 1.5235550271062983
Energy: 1.545408739549812
Energy: 1.5907546744994014
Energy: 1.4807206973359084
Energy: 1.549876046905047
Energy: 1.5763682992713195
Energy: 1.567013802173478
Energy: 1.5883967400623775
Energy: 1.626871451789349
Energy: 1.4824795686468968
Energy: 1.5849618745233176
Energy: 1.6230744579679304
Energy: 1.5675189080230607
Energy: 1.5592288359919917
Energy: 1.5253025177572164
Energy: 1.461255828172454
Energy: 1.57658917994826
Energy: 1.5865828781630775
Energy: 1.4671226315892043
Energy: 1.482960887292418
Energy: 1.5629460021270922
Energy: 1.5413095704091924
Energy: 1.4748883371767096
Energy: 1.538016697879645
Energy: 1.5752620043066943
Energy: 1.5372580272229694
Energy: 1.562650565494139
Energy: 1.5107938817539277
Energy: 1.5318916367182391
Energy: 1.546185536861072
Energy: 1.5629461533997202
Energy: 1.4839665204809684
Energy: 1.4770019957536122
Energy: 1.5878909567880162
Energy: 1.550877347560369
Energy: 1.5790514951960635
Energy: 1.577974163303862
Energy: 1.482106312884867
Energy: 1.4828349925320718
Energy: 1.5249407522014946
Energy: 1.475349488822411
Energy: 1.477737557036971
Energy: 1.5349283141294752
Energy: 1.5429942677449286
Energy: 1.4764659974237468
Energy: 1.4820180138211518
Energy: 1.5806442793222144
Energy: 1.4838308250423717
Energy: 1.5027126059388018
Energy: 1.4745851372182612
Energy: 1.4790769873835432
Energy: 1.4761625446527262
Energy: 1.5087384759523572
Energy: 1.4879511715644957
Energy: 1.5051453919501707
Energy: 1.4775094457830522
Energy: 1.5757287036573235
Energy: 1.566400583990053
Energy: 1.5677098054514529
Energy: 1.4762239454541337
Energy: 1.5230827548881922
Energy: 1.5283244084636372
Energy: 1.5092000487199257
Energy: 1.465128262464917
Energy: 1.470307045389899
Energy: 1.604367067207001
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Energy: 1.4752194180300877
Energy: 1.4789158320986266
Energy: 1.5651123545217045
Energy: 1.467133265161674
Energy: 1.4638216102284034
Energy: 1.465005299755359
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Energy: 1.5104575302204335
Energy: 1.5366298815822124
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Energy: 1.4767055075030713
Energy: 1.5682769507993
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Energy: 1.4925463185748653
Energy: 1.5221581415939844
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Energy: 1.4787413986160947
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Energy: 1.5793245641721547
Energy: 1.489343734055688
Energy: 1.5642865192217366
Energy: 1.5147280636182123
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Energy: 1.4967062903098916
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Energy: 1.515982621704779
Energy: 1.5487750589539737
Energy: 1.53556464495888
Energy: 1.655992591247619
Energy: 1.4772106882946785
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Energy: 1.4790991147260713
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Energy: 1.5556386443124999
Energy: 1.51978957561934
Energy: 1.4859705467081659
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Energy: 1.4857049559537694
Energy: 1.4845511413240893
Energy: 1.4681891921338992
Energy: 1.4929273310515867
Energy: 1.4588264189268425
Energy: 1.4949400047824557
Energy: 1.4953523997780003
Energy: 1.465780886870594
Energy: 1.5588427975069468
Energy: 1.6176329104078417
Energy: 1.6039320942317115
Energy: 1.5169247982879648
Energy: 1.5158867248751962
Energy: 1.4811749284947722
Energy: 1.5495319402719214
Energy: 1.5438514516115613
Energy: 1.5292762099592032
Energy: 1.4850756583833118
Energy: 1.4841282984572195
Energy: 1.4866575253122827
Energy: 1.5914525223706997
Energy: 1.6055332043007164
Energy: 1.5149077633667813
Energy: 1.5752724375340976
Energy: 1.548994363263834
Energy: 1.536287296904681
Energy: 1.5833946481836392
Energy: 1.5779582118293896
Energy: 1.6167698954136838
Energy: 1.6173565192324426
Energy: 1.4611350709126973
Energy: 1.4632310159400428
Energy: 1.4951665131040361
Energy: 1.5880073029076105
Energy: 1.48530333332377
Energy: 1.5336809629660686
Energy: 1.5229291750932565
Energy: 1.5927429877414028
Energy: 1.6154528001804629
Energy: 1.4647665144233974
Energy: 1.5676377771909291
Energy: 1.5724661876995052
Energy: 1.6219605742131362
Energy: 1.4869118805246728
Energy: 1.5781835208334642
Energy: 1.5224159191651871
Energy: 1.5271750748261024
Energy: 1.5764773598726964
Energy: 1.4881388890947074
Energy: 1.4812441840512103
Energy: 1.481790399291934
Energy: 1.5501764272161707
Energy: 1.5571453257325727
Energy: 1.5244004355618688
Energy: 1.5959515674595304
Energy: 1.586203613255639
Energy: 1.5330177945201664
Energy: 1.5559332357392386
Energy: 1.4768555619924464
Energy: 1.5324078088458208
Energy: 1.6011931472147596
Energy: 1.5017273226674022
Energy: 1.5489271955997006
Energy: 1.4815430099047981
Energy: 1.5228867273160094
Energy: 1.538862492185866
Energy: 1.4680682978701352
Energy: 1.5696650387226512
Energy: 1.5062511929324425
Energy: 1.6172864579681259
Energy: 1.5261564479430805
Energy: 1.4793086150507695
Energy: 1.4631500471227836
Energy: 1.5309957142565191
Energy: 1.4828282753253412
Energy: 1.506114119251406
Energy: 1.6270985689707358
Energy: 1.4816783112105674
Energy: 1.557310239836754
Energy: 1.5853414245172017
Energy: 1.5295487396134484
Energy: 1.479721542086821
Energy: 1.4766264781612806
Energy: 1.5212482665579463
Energy: 1.519757008134412
Energy: 1.4643210487427776
Energy: 1.596234539446244
Energy: 1.7242585045588104
Energy: 1.477896531135007
Energy: 1.557340596973048
Energy: 1.4778553930778724
Energy: 1.5261866653288731
Energy: 1.4914604517690055
Energy: 1.5232763994738092
Energy: 1.5195708329230826
Energy: 1.520452535587434
Energy: 1.5648781809615544
Energy: 1.4983706572947815
Energy: 1.480054836806868
Energy: 1.5512041332519078
Energy: 1.5574849664785773
Energy: 1.4684749222597686
Energy: 1.5253711518401165
Energy: 1.4637915125589998
Energy: 1.4817331828987235
Energy: 1.5176081303788582
Energy: 1.4813567475189018
Energy: 1.4770607764783021
Energy: 1.5641848292873046
Energy: 1.478838650880686
Energy: 1.6206996105245977
Energy: 1.4712250129621327
Energy: 1.4708497360038404
Energy: 1.5230550948459833
Energy: 1.5236554709088403
Energy: 1.4796941584975385
Energy: 1.5202900633150933
Energy: 1.5146395574670595
Energy: 1.5267928368297343
Energy: 1.578958055084339
Energy: 1.4846497301745072
Energy: 1.5440054796487162
Energy: 1.4811305713562701
Energy: 1.5276138015112644
Energy: 1.5305084113952065
Energy: 1.4788885542527561
Energy: 1.5287800246729426
Energy: 1.5412653541007653
Energy: 1.507809981145374
Energy: 1.5777802091031314
Energy: 1.4717775888779063
Energy: 1.5539028355133968
Energy: 1.5911298479280023
Energy: 1.4775646170135417
Energy: 1.5799829961780385
Energy: 1.5060905287980462
Energy: 1.61820971291952
Energy: 1.4648853532985904
Energy: 1.4915347322466679
Energy: 1.5758842176740202
Energy: 1.5114040586340771
Energy: 1.5684262945654825
Energy: 1.5631151629025426
Energy: 1.4791966611259626
Energy: 1.4826070230144603
Energy: 1.585916577345433
Energy: 1.5069154195629648
Energy: 1.5087791811256033
Energy: 1.537270934871287
Energy: 1.5647165479216296
Energy: 1.5303869711812852
Energy: 1.4955290983094363
Energy: 1.5185271188381948
Energy: 1.5413014528455482
Energy: 1.5471980905710156
Energy: 1.6275993725718305
Energy: 1.5669220295091768
Energy: 1.500087714213567
Energy: 1.5844541886353454
Energy: 1.5608303253123628
Energy: 1.5719604084930507
Energy: 1.4833651051002843
Energy: 1.5602964792148046
Energy: 1.5849074444469706

minimum gb energy = 1.4588264189268425 eV
minimum distance =  2.26352988646813 Angstroms
sigma value = 75


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

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Energy: 1.6324777859948352
Energy: 1.5915631456166273
Energy: 1.519960200724557
Energy: 1.55375877499171
Energy: 1.551821150690375
Energy: 1.5547290537311942
Energy: 1.5778672757971157
Energy: 1.6611980717844022
Energy: 1.6053887424583153
Energy: 1.5528406954630192
Energy: 1.7021615149030602
Energy: 1.5887120631665415
Energy: 1.5950806264938007
Energy: 1.5526396754300975
Energy: 1.6634008095347235
Energy: 1.5550346766897944
Energy: 1.5543532248900669
Energy: 1.5530729030720574
Energy: 1.6127209710030062
Energy: 1.6100704044449468
Energy: 1.5689224597271225
Energy: 1.5717523803570126
Energy: 1.5549340318606397
Energy: 1.6425218677261184
Energy: 1.569777342369763
Energy: 1.629235276498051
Energy: 1.4857380690081525
Energy: 1.756864812201988
Energy: 1.5523692263127784
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Energy: 1.5736191109538065
Energy: 1.553322723808386
Energy: 1.5529519756271717
Energy: 1.5796389076844166
Energy: 1.553389282616923
Energy: 1.5538331316170997
Energy: 1.6686608911271401
Energy: 1.57125551835434
Energy: 1.6272157950048871
Energy: 1.686211810337669
Energy: 1.5546607262447518
Energy: 1.6226122001263281
Energy: 1.553386462712097
Energy: 1.554701033996399
Energy: 1.5937898993929251
Energy: 1.5522341507842514
Energy: 1.6058537021580293
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Energy: 1.5711301252493017
Energy: 1.547346392618171
Energy: 1.5659864331923066
Energy: 1.5550248169004295
Energy: 1.5550320632829637
Energy: 1.5488330673540633
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Energy: 1.5797785031339648
Energy: 1.5081565000589923
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Energy: 1.5843186811257668
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Energy: 1.565498219473267
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Energy: 1.5892501863615964
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Energy: 1.6177061288589512
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Energy: 1.6234755698876995
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Energy: 1.569976758389153
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Energy: 1.5961865887482143
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Energy: 1.5603163142818675
Energy: 1.5650006921023731
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Energy: 1.493715839947511
Energy: 1.581809328198016
Energy: 1.6159193528775169
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Energy: 1.5605412982736397
Energy: 1.4857794951696899
Energy: 1.6863194016155185
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Energy: 1.5855035638792658
Energy: 1.6331989971372682
Energy: 1.745338459992441
Energy: 1.5755945092521664
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Energy: 1.5897936655693907
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Energy: 1.561428650634308
Energy: 1.5061781882765517
Energy: 1.5649031852316226
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Energy: 1.5650919752033519
Energy: 1.5659381085552537
Energy: 1.5938458668114952
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Energy: 1.6031753673136955
Energy: 1.5944854122561363
Energy: 1.5083702336207574
Energy: 1.5077280027559092
Energy: 1.6248473018944807
Energy: 1.5279285016760422
Energy: 1.545592348062294
Energy: 1.5578706388487087
Energy: 1.5056958614315714
Energy: 1.5906779946404694
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Energy: 1.5504267064075234
Energy: 1.6065327345827554
Energy: 1.5682399964979012
Energy: 1.5704810927176065
Energy: 1.5660342254552257
Energy: 1.5638251819098996
Energy: 1.5295535985807371
Energy: 1.5054856834410035
Energy: 1.5079370316367233
Energy: 1.6127775241079376
Energy: 1.580221552023457
Energy: 1.5692589671720278
Energy: 1.5840924070052298
Energy: 1.566237050905229
Energy: 1.560409931231544
Energy: 1.6842275257167667
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Energy: 1.619013756334594
Energy: 1.5782870606845025
Energy: 1.5659328346803323
Energy: 1.5944527679564515
Energy: 1.4930833624928994
Energy: 1.6081499276660693
Energy: 1.49741552651192
Energy: 1.650880503969988
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Energy: 1.5811955355585032
Energy: 1.5433865376921903
Energy: 1.588595825178849
Energy: 1.6055618795015754
Energy: 1.5890179129840305
Energy: 1.6542304263494192
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minimum gb energy = 1.4787993193818614 eV
minimum distance =  2.2471555609494 Angstroms
sigma value = 105


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

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Energy: 1.754112203471409
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Energy: 1.622898571857594
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Energy: 1.568897371162325
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Energy: 1.617636075081383
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Energy: 1.556515329977976
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Energy: 1.6205433541041783
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Energy: 1.6129772728494145
Energy: 1.6053001256693584
Energy: 1.7534487656956679
Energy: 1.637478380782396
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Energy: 1.644040208851287
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Energy: 1.6201392646909165
Energy: 1.5640784054299002
Energy: 1.7407636629846595
Energy: 1.5838365559168293
Energy: 1.778993729224622
Energy: 1.5852211566147847
Energy: 1.6179627700881238
Energy: 1.6000557713559627
Energy: 1.5625241431991803
Energy: 1.578979615327339
Energy: 1.582006286003034
Energy: 1.541579802151159
Energy: 1.5404998226437416
Energy: 1.7321352868712552
Energy: 1.683839344949044
Energy: 1.557523427707397
Energy: 1.6212957177219922
Energy: 1.558032078447402
Energy: 1.5575714012665463
Energy: 1.5597806300500279
Energy: 1.5580914879494563
Energy: 1.5579822851036653
Energy: 1.5466909250776018
Energy: 1.6035717345531086
Energy: 1.6032832967912338
Energy: 1.566483660726998
Energy: 1.5495445366299463
Energy: 1.5466444804015753
Energy: 1.5417666006651365
Energy: 1.589546786648502
Energy: 1.5401924293415563
Energy: 1.666462188927381
Energy: 1.5586999690011376
Energy: 1.631267153492793
Energy: 1.5683624170122799
Energy: 1.6532356989785604
Energy: 1.763802749809128
Energy: 1.7525179134479663
Energy: 1.5415539514983725
Energy: 1.542372146900449
Energy: 1.5410241672803084
Energy: 1.6150598740851596
Energy: 1.5589250841113225
Energy: 1.5836979934381823
Energy: 1.5891900416991505
Energy: 1.546039772025124
Energy: 1.794337998873316
Energy: 1.7332808396016344
Energy: 1.5269962441607448
Energy: 1.5255815858129496
Energy: 1.5625314203600236
Energy: 1.8021242197995493
Energy: 1.5838052937501805
Energy: 1.5007196196353776
Energy: 1.6025099016246573
Energy: 1.6048827310232219
Energy: 1.5273176530035268
Energy: 1.4901001402185117
Energy: 1.8067374228769426
Energy: 1.7701642304579566
Energy: 1.5192183313015595

minimum gb energy = 1.4500166687275784 eV
minimum distance =  2.30420875616445 Angstroms
sigma value = 165


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

Energy: 1.7862618928526477
Energy: 1.4693878823862443
Energy: 1.5021145841841284
Energy: 1.521644837380641
Energy: 1.5230580585171791
Energy: 1.4986748715233205
Energy: 1.496762776718409
Energy: 1.4928915787256813
Energy: 1.8140455713101828
Energy: 1.470848545949028
Energy: 1.5145559470790988
Energy: 1.8257112928162376
Energy: 1.6204252347944597
Energy: 1.8220680173529509
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Energy: 1.8118128034263064
Energy: 1.5003099208858475
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Energy: 1.5030211803272828
Energy: 1.542518880225084
Energy: 1.5492644890637624
Energy: 1.5190436561332539
Energy: 1.5230347840383907
Energy: 1.5782970813950001
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Energy: 1.541800216236522
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Energy: 1.5057020771698775
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Energy: 1.542899313167429
Energy: 1.4957901918812893
Energy: 1.5540257597931164
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Energy: 1.5216059245583156
Energy: 1.4992922273952844
Energy: 1.485575143893797
Energy: 1.833088081894876
Energy: 1.498253092562818
Energy: 1.5015860704650923
Energy: 1.5423523215667
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Energy: 1.5546387059097206
Energy: 1.5235740085579246
Energy: 1.5229022447820924
Energy: 1.4934393882116968
Energy: 1.5780991851138635
Energy: 1.500422960937007
Energy: 1.5190962362093794
Energy: 1.49563817719671
Energy: 1.5201201318102855
Energy: 1.5645012458172938
Energy: 1.522653998196289
Energy: 1.5217238021565227
Energy: 1.5329755245993582
Energy: 1.4912893245514645
Energy: 1.5185720593578402
Energy: 1.5050611639819258
Energy: 1.5038034153691708
Energy: 1.4997003836761336
Energy: 1.5351749309663218
Energy: 1.527298927784595
Energy: 1.5273367949981622
Energy: 1.5434338595272812
Energy: 1.5276218009012008
Energy: 1.4908862683213304
Energy: 1.500146704944921
Energy: 1.5026008545071257
Energy: 1.5368278969240596
Energy: 1.4935197701616085
Energy: 1.522613052094367
Energy: 1.4905023942254165
Energy: 1.5211746058163897
Energy: 1.645312559070039
Energy: 1.5425233993728265
Energy: 1.4967370566629172
Energy: 1.5040191722553096
Energy: 1.5037721679063476
Energy: 1.5145168781403782
Energy: 1.5310202269806263
Energy: 1.5202219608463146
Energy: 1.519121019852776
Energy: 1.52784416545708
Energy: 1.6176078775483314
Energy: 1.5154782701290064
Energy: 1.5142638817037921
Energy: 1.5233944419744287
Energy: 1.5219550831569453

minimum gb energy = 1.4693878823862443 eV
minimum distance =  2.26787393799418 Angstroms
sigma value = 41


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

Energy: 2.8105862050174606
Energy: 1.4405951913495088
Energy: 1.5262540118985286
Energy: 1.3895098746828611
Energy: 1.435414327135778
Energy: 1.6142568372558401
Energy: 1.6029108105241532
Energy: 1.6510334400635485
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Energy: 1.3630116019063712
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Energy: 1.4370930466358967
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Energy: 1.510448018525184
Energy: 1.378101819492801
Energy: 1.6139083214115861
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Energy: 1.4475029992272852
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Energy: 1.4755353660889419
Energy: 1.4335227737933327
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Energy: 1.5105094066285731
Energy: 1.6311289128917932
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Energy: 1.4469152983576357
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Energy: 1.519071415654777
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Energy: 1.5468288075456678
Energy: 1.5386543102999122
Energy: 1.3808741622403233
Energy: 1.4584033268572394
Energy: 1.5972063791605104
Energy: 1.6303868542739448
Energy: 1.5463374500090898
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Energy: 1.5865798266100408
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Energy: 1.4362861396087179
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Energy: 1.511202877206809
Energy: 1.4937733272962848
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Energy: 1.514168870152765
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Energy: 1.3639331447070382
Energy: 1.5120676548104333
Energy: 1.4876244596870785
Energy: 1.4788893423845426
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Energy: 1.4265019485665906
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Energy: 1.5216451420069823
Energy: 1.3711480150504276
Energy: 1.2784239605978753
Energy: 1.454937497738017
Energy: 1.6635645125751983
Energy: 1.4280906600868626
Energy: 1.3893514706209373
Energy: 1.6005006053450632
Energy: 1.576559009318456
Energy: 1.4012473215563432
Energy: 1.4513104077584638
Energy: 1.3668806978017176
Energy: 1.4316397453608127
Energy: 1.6090544256828585
Energy: 1.437974667327648
Energy: 1.3376884427828908
Energy: 1.4229244170138868
Energy: 1.3607740816938902
Energy: 1.521437729564906
Energy: 1.6020441267937948
Energy: 1.576342726239873
Energy: 1.4409539491180043
Energy: 1.4292461230445197
Energy: 1.4309870703192467
Energy: 1.4390738493060293
Energy: 1.3411733571798967
Energy: 1.4156245594601826
Energy: 1.4215530003958303
Energy: 1.5682132065182397
Energy: 1.608181975772466
Energy: 1.4941746652616787
Energy: 1.5957213632381322
Energy: 1.6236774386939823
Energy: 1.4281508205665747
Energy: 1.4284870751176855
Energy: 1.4207706500158614
Energy: 1.424963878861172
Energy: 1.5820132461039478
Energy: 1.4208321488552924
Energy: 1.499254018233903
Energy: 1.509773706113749
Energy: 1.7772731011370426
Energy: 1.429718259646779
Energy: 1.4280110902260594
Energy: 1.3761876304067278
Energy: 1.4913318518167757
Energy: 1.5771128787930075
Energy: 1.4274326851577965
Energy: 1.463650785190777
Energy: 1.4716613261163756
Energy: 1.5372282784766405
Energy: 1.5099215997939193
Energy: 1.499775354717254
Energy: 1.3923183396808008

minimum gb energy = 1.277717908188085 eV
minimum distance =  2.24786646105039 Angstroms
sigma value = 185


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

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Energy: 1.470402812748904
Energy: 1.589760881527923
Energy: 1.5051349964111052
Energy: 1.5969531799734829
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Energy: 1.8275736938987512
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Energy: 1.859533514542292
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Energy: 1.87553730802483
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Energy: 1.8203050911381873
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Energy: 1.607912998584817
Energy: 1.5915493293928324
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Energy: 1.4299242476770573
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Energy: 1.4124856432104829
Energy: 1.358360483514612
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Energy: 1.4827328093204197
Energy: 1.7140289228913113
Energy: 1.59914836860793
Energy: 1.6656608348083846
Energy: 1.661484160663439
Energy: 1.6869979834112239
Energy: 1.4217409811052335
Energy: 1.824750859652151
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Energy: 1.8221519788143714
Energy: 1.4535176432978996
Energy: 1.4291870607078758
Energy: 1.4696284451177082
Energy: 1.4315461019502371
Energy: 1.7899443947206897
Energy: 1.8747683088975564
Energy: 1.862094864614391
Energy: 1.4623406778188548
Energy: 1.4852759834280778
Energy: 1.7196127116535211
Energy: 1.632493972882887
Energy: 1.5290801952663942
Energy: 1.6208964451711863
Energy: 1.43104932904019
Energy: 1.468218021572793
Energy: 1.461045943815636
Energy: 1.4618398182770678
Energy: 1.462322182358611
Energy: 1.4972140253433661
Energy: 1.5026373861291984
Energy: 1.5028108348371085
Energy: 1.599290329667133
Energy: 1.6204157499406773
Energy: 1.6583148278173108
Energy: 1.815469285550455
Energy: 1.8594788282048016
Energy: 1.716552657372446
Energy: 1.7152959376490473
Energy: 1.7200718343203039
Energy: 1.496435345643135
Energy: 1.6229009088845958
Energy: 1.504490132097675
Energy: 1.542914141221884
Energy: 1.4775800636024496
Energy: 1.47636343042561
Energy: 1.7089399059143764
Energy: 1.8036932961640442
Energy: 1.7759109310424908
Energy: 1.8127044155232126
Energy: 1.8053964544958645
Energy: 1.5051367618004576
Energy: 1.5973785987734215
Energy: 1.5574375817826782
Energy: 1.47636898133861
Energy: 1.4777977956410075
Energy: 1.4908546488624719
Energy: 1.4498459520999853

minimum gb energy = 1.358011986243388 eV
minimum distance =  2.27541676311685 Angstroms
sigma value = 33


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

Energy: 1.8229934960468774
Energy: 1.7207528398425562
Energy: 1.6112803391719317
Energy: 1.4594389235591245
Energy: 1.6221666624647983
Energy: 1.6732587675438282
Energy: 1.712419948273858
Energy: 1.6130114184509459
Energy: 1.6306091623831434
Energy: 1.4905145376248117
Energy: 1.4336533360190935
Energy: 1.7137508941339994
Energy: 1.728540757087115
Energy: 1.5929431900711826
Energy: 1.5882061738530813
Energy: 1.7339723660033934
Energy: 1.7660897536370639
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Energy: 1.4738176163332242
Energy: 1.4718195226782285
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Energy: 1.6026226918423103
Energy: 1.519212233494471
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Energy: 1.4779130251682289
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Energy: 1.4816875268402332
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Energy: 1.6135471767744236
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Energy: 1.487792612156853
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Energy: 1.4814193148454948
Energy: 1.5079813226442789
Energy: 1.550879616017133
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Energy: 1.480744928977343
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Energy: 1.5506612380535612
Energy: 1.6137166573211537
Energy: 1.6564914695349964
Energy: 1.6463263036973121
Energy: 1.6561673092183198
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Energy: 1.6725344385870085
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Energy: 1.6239976144228279
Energy: 1.7245846960810503
Energy: 1.723918604718631
Energy: 1.798743097631483
Energy: 1.4801206861804657
Energy: 1.47742883281612
Energy: 1.4555971522935947
Energy: 1.6929156296562107
Energy: 1.7115863391082207
Energy: 1.5930867841607392
Energy: 1.591624678676118
Energy: 1.7113961640561945
Energy: 1.4806561761553914
Energy: 1.4806409437097594
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Energy: 1.472678210971038
Energy: 1.614291587240878
Energy: 1.712981625391227
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Energy: 1.4727545950056569
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Energy: 1.4534325323479818
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Energy: 1.6348371373311081
Energy: 1.775377037724056
Energy: 1.6148261753852087
Energy: 1.651782112880841
Energy: 1.4901392046111968

minimum gb energy = 1.427744148745676 eV
minimum distance =  2.29335916158465 Angstroms
sigma value = 219


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

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Energy: 1.4409638653819306
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Energy: 1.4434905198331696
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Energy: 1.416285555352382
Energy: 1.4092984366348906
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Energy: 1.3544976537770006
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Energy: 1.3861683217966543
Energy: 1.4113057873913522
Energy: 1.3535179335459713
Energy: 1.3530817629230416
Energy: 1.4500069819491257
Energy: 1.4163886422071115

minimum gb energy = 1.3519744764412036 eV
minimum distance =  2.30264667866013 Angstroms
sigma value = 15


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

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Energy: 1.598016859008994
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Energy: 1.5654450704847638
Energy: 1.5937768647307604
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minimum gb energy = 1.518711899608532 eV
minimum distance =  2.28369835268699 Angstroms
sigma value = 293


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

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Energy: 1.70290412796304
Energy: 1.6647483357931414
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Energy: 1.6398573307428024
Energy: 1.6601771295843746
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Energy: 1.7195116494646792
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Energy: 1.6741748126055813
Energy: 1.5355187517702145
Energy: 1.6095043048989934
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Energy: 1.6660719929645216
Energy: 1.648780830149963
Energy: 1.6669656184455846
Energy: 1.7724715378497784
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Energy: 1.5920150999161728
Energy: 1.6214067889854973
Energy: 1.5927697183587861
Energy: 1.7893380753417398
Energy: 1.6702889844440492
Energy: 1.6697096834158516
Energy: 1.6698569080260186
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Energy: 1.6688762308993517
Energy: 1.6736238489523314
Energy: 1.6195762671798184
Energy: 1.680899369205925
Energy: 1.8213910045053436
Energy: 1.703404277810953
Energy: 1.6274609946815055
Energy: 1.6737382002011147
Energy: 1.6131655108534966
Energy: 1.697410564727749
Energy: 1.7788043196150276
Energy: 1.6504383094850927
Energy: 1.6297094824140144
Energy: 1.6035590842347973
Energy: 1.6765331088327329
Energy: 1.5290955843243426
Energy: 1.7359033468387763
Energy: 1.8772527116399458
Energy: 1.5361804403349724
Energy: 1.611541641372511
Energy: 1.5365432436691324
Energy: 1.6445456607424245
Energy: 1.5904454078046846
Energy: 1.5819166070136557
Energy: 1.5786954897069874
Energy: 1.7805780420649937
Energy: 1.7341489451014596
Energy: 1.834109393657634
Energy: 1.6859543498135734
Energy: 1.6293993330422607
Energy: 1.5355897713882738
Energy: 1.536924107853602
Energy: 1.5896499547281222
Energy: 1.716978940550652
Energy: 1.647780192767557
Energy: 1.775948408136831
Energy: 1.6754533391385973
Energy: 1.5044079535396968
Energy: 1.6215277800964127
Energy: 1.5372518219361155
Energy: 1.5371970892982836
Energy: 1.6198481772189106
Energy: 1.621648379546516
Energy: 1.6581271619971198
Energy: 1.6577097753638166
Energy: 1.6640902708220386
Energy: 1.6726815116779932

minimum gb energy = 1.5044079535396968 eV
minimum distance =  2.26762982828075 Angstroms
sigma value = 293


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

Energy: 1.890082037850221
Energy: 1.7068003183819453
Energy: 1.4947458550255444
Energy: 1.4948880488448362
Energy: 1.4967996874872656
Energy: 1.5869411070874173
Energy: 1.3471762848227182
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Energy: 1.6114417096545073
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Energy: 1.3458246983856923
Energy: 1.6093929854953193
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Energy: 1.3521135443813859
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Energy: 1.4924510458915905
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Energy: 1.705782114534124
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Energy: 1.3501924142299786
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Energy: 1.2294800852658938
Energy: 1.7086554143774322
Energy: 1.494557740946413
Energy: 1.643370764442322
Energy: 1.4681632660195532
Energy: 1.5637384014382538
Energy: 1.3481780686111504
Energy: 1.347808754014125
Energy: 1.349628178997177
Energy: 1.5451377605186392
Energy: 1.7074956627490923
Energy: 1.2288811205050028
Energy: 1.3458333608148036
Energy: 1.349666720142399
Energy: 1.615382958049224
Energy: 1.494740259564829
Energy: 1.4957585847705561
Energy: 1.4997521435706604
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Energy: 1.3491385301154502
Energy: 1.3457684552806666
Energy: 1.6140030793001232
Energy: 1.6457670458927796
Energy: 1.4947376374743804
Energy: 1.6095241663228401
Energy: 1.6158165372043711
Energy: 1.4919648282474418
Energy: 1.3464362159864074
Energy: 1.3442299591764724
Energy: 1.4521757194071168
Energy: 1.4898012715557012
Energy: 1.6117520363225375
Energy: 1.612699772420229
Energy: 1.346467574313485
Energy: 1.492654968443078
Energy: 1.6116643863375497
Energy: 1.3499483391707503
Energy: 1.3486235973410172
Energy: 1.5013370885897361
Energy: 1.4507906821632144
Energy: 1.3491390451024412
Energy: 1.3471882937051551
Energy: 1.5617289040569342
Energy: 1.7051850264998747
Energy: 1.3469655890014416
Energy: 1.496472465125298
Energy: 1.4692197725355207
Energy: 1.3459027249008735
Energy: 1.342953403280331
Energy: 1.3468781530634095
Energy: 1.5030670413408065
Energy: 1.5469944531352786
Energy: 1.230775627768328
Energy: 1.3517484129985318
Energy: 1.6455585684204372
Energy: 1.346928334926888
Energy: 1.6159489189194942
Energy: 1.4954384557118292
Energy: 1.4960313401101313
Energy: 1.450720195893701
Energy: 1.348568842508925
Energy: 1.3494378488385388
Energy: 1.4927251329139855
Energy: 1.6421952441271295
Energy: 1.2297828195579399
Energy: 1.493476098042178
Energy: 1.6468292873644832
Energy: 1.613936153937845
Energy: 1.3464470705503102
Energy: 1.3438618415161054
Energy: 1.3475373526823307
Energy: 1.4946800918938339
Energy: 1.4921715564093985
Energy: 1.3500356733391803

minimum gb energy = 1.226027595106798 eV
minimum distance =  2.39753345356936 Angstroms
sigma value = 15


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

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Energy: 1.5227795670763862
Energy: 1.540566069381602
Energy: 1.5553696746536125
Energy: 1.5085991058384476
Energy: 1.6908814033800823
Energy: 1.4972526388036336
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Energy: 1.5487868285645419
Energy: 1.6442127511855853
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Energy: 1.5090018594810073
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Energy: 1.5004572049946456
Energy: 1.6842101250728452
Energy: 1.6443018743395832
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Energy: 1.6113536188695292
Energy: 1.5669997095755321
Energy: 1.5501850883192627
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Energy: 1.6737789201145712
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Energy: 1.5093242012895263
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Energy: 1.5277183320244219
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Energy: 1.6794982166599595
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Energy: 1.5087972421544966
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Energy: 1.5524591019701937
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Energy: 1.6708576516569282
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Energy: 1.541516949897232
Energy: 1.5421153801747904
Energy: 1.5753266567478077
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Energy: 1.6290337359909492
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Energy: 1.606022723744589
Energy: 1.6874014764912915
Energy: 1.7605412143266772
Energy: 1.5382237974394701
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Energy: 1.687527378120044
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Energy: 1.574550156167189
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Energy: 1.671588931518172
Energy: 1.640004621687513
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Energy: 1.7463161747346028
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Energy: 1.6005636357001034
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Energy: 1.599592662463264
Energy: 1.663833100695109
Energy: 1.5738404121992957
Energy: 1.5412903641423485
Energy: 1.6862675239196305
Energy: 1.6323336272819244
Energy: 1.604440356423869
Energy: 1.645518088630681
Energy: 1.634313200762472
Energy: 1.6033566705568003
Energy: 1.6056799275558937
Energy: 1.6634448503426946
Energy: 1.7621112666916023
Energy: 1.7619896888350182
Energy: 1.5413149641702861
Energy: 1.4981224682209375
Energy: 1.550938046373047
Energy: 1.6828033785408003
Energy: 1.4962832771958212
Energy: 1.5044232925112206
Energy: 1.5868163687876755
Energy: 1.7765813520085045
Energy: 1.6323506565303985
Energy: 1.539605898896
Energy: 1.5558837905870881
Energy: 1.5568592645518657
Energy: 1.763455854254484
Energy: 1.6430256942654233
Energy: 1.4964131671931065
Energy: 1.7774994668316728
Energy: 1.528428443239691
Energy: 1.4948254976556525
Energy: 1.4964800325092555
Energy: 1.553246952737789
Energy: 1.5509011669456203
Energy: 1.508541826617479
Energy: 1.7134474053800313
Energy: 1.705768742933271
Energy: 1.6431509332835357
Energy: 1.6961476085122635
Energy: 1.5654272065815118
Energy: 1.496020507188314
Energy: 1.4933008203009324
Energy: 1.5411965693071432
Energy: 1.5416011778251997
Energy: 1.4654057391784268
Energy: 1.5889703566785338
Energy: 1.5503876073038483
Energy: 1.568118917651227
Energy: 1.6692792424999305
Energy: 1.5410933060191614
Energy: 1.4983559395362966
Energy: 1.4958563811678638
Energy: 1.5899245756455733
Energy: 1.5093474031477525
Energy: 1.5478454087644784
Energy: 1.5891820323707873
Energy: 1.5410907284469884
Energy: 1.693581016531286
Energy: 1.5069881052999585
Energy: 1.5892606235044424
Energy: 1.4963902947760996
Energy: 1.4968006558763582
Energy: 1.5643147048149533
Energy: 1.5093829668434933
Energy: 1.5069885169287767
Energy: 1.5489783908739665
Energy: 1.667333216080857
Energy: 1.5877310759630832
Energy: 1.5667360092760045
Energy: 1.5499504020215291
Energy: 1.6803444458133794
Energy: 1.4966910153304542
Energy: 1.5694801324502348
Energy: 1.6118674963638264
Energy: 1.5086011519669904
Energy: 1.508153317909374
Energy: 1.6715012975480295
Energy: 1.6316970042493932
Energy: 1.6729055148591345
Energy: 1.5384095650727303
Energy: 1.609752639692534
Energy: 1.6107269210999364
Energy: 1.6084229596260042
Energy: 1.5667186691813682
Energy: 1.5978550448382505
Energy: 1.6737598008663124
Energy: 1.6736268348740793
Energy: 1.723915902175818
Energy: 1.6688463979219759
Energy: 1.538423472728694
Energy: 1.5565459381763878
Energy: 1.5605106652754226
Energy: 1.5681330866267131
Energy: 1.7126216414760485
Energy: 1.7014608318199207
Energy: 1.6775125573741616
Energy: 1.5085384111484137
Energy: 1.5085774280846844
Energy: 1.597720862483917
Energy: 1.4958343398228764
Energy: 1.670809772646006
Energy: 1.666945507874343
Energy: 1.7129477613797321
Energy: 1.5671320619536724
Energy: 1.5645846170132653
Energy: 1.6668380643596727
Energy: 1.604592663898662
Energy: 1.5083914002029617
Energy: 1.758415926943176
Energy: 1.5088725042977855
Energy: 1.5085492210055376
Energy: 1.6702821229829754
Energy: 1.566711660480495
Energy: 1.7118306250063178
Energy: 1.7130302293633806
Energy: 1.730654551979201
Energy: 1.7151743557039483
Energy: 1.53781219536745
Energy: 1.6822974543552769
Energy: 1.5632450355660268
Energy: 1.501721799259444
Energy: 1.7069311089897863
Energy: 1.6417942799155347
Energy: 1.6329153939748786
Energy: 1.5643137213200091
Energy: 1.5547666480245588
Energy: 1.539468309213297
Energy: 1.6415792632917254
Energy: 1.6238066753117992
Energy: 1.6666163909140912
Energy: 1.6961140021697487
Energy: 1.513224301030829
Energy: 1.5257969657340016
Energy: 1.6095010959008165
Energy: 1.6100957962420477
Energy: 1.6099515101282802
Energy: 1.5540906919951316
Energy: 1.6081596223488417
Energy: 1.6725420983839567
Energy: 1.6366460687858282
Energy: 1.6688507534853672
Energy: 1.5491215798714069
Energy: 1.5067971103798454
Energy: 1.5105192096485487
Energy: 1.5644520696740092
Energy: 1.4985901383981048
Energy: 1.4978083648976888
Energy: 1.652546748160218
Energy: 1.6063786964310458
Energy: 1.6685908545506336
Energy: 1.5224310856157781
Energy: 1.5886838913659258
Energy: 1.5556329701057243
Energy: 1.5088393605187957
Energy: 1.543955165802275
Energy: 1.496940349371417
Energy: 1.4968093520654642
Energy: 1.540528891121523
Energy: 1.4617710822851386

minimum gb energy = 1.4617710822851386 eV
minimum distance =  2.30725953770035 Angstroms
sigma value = 437


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

Energy: 1.6257468146971459
Energy: 1.554467486135622
Energy: 1.5694700493137097
Energy: 1.5586008971564818
Energy: 1.5089724828900681
Energy: 1.5789770979564446
Energy: 1.5931271197663408
Energy: 1.5080458080857444
Energy: 1.516721234422982
Energy: 1.5309708061777554
Energy: 1.5362295050894694
Energy: 1.5568886152492454
Energy: 1.5032531317600841
Energy: 1.5016784613063054
Energy: 1.5657215013930836
Energy: 1.5165795338747492
Energy: 1.5869696918309286
Energy: 1.5846810303554801
Energy: 1.5380983285579966
Energy: 1.502398094520647
Energy: 1.50686493876907
Energy: 1.5351572886998397
Energy: 1.5052974891958837
Energy: 1.5377988509882845
Energy: 1.5383080141054244
Energy: 1.5936058910904518
Energy: 1.5929083706211713
Energy: 1.504766199716587
Energy: 1.5377866722951932
Energy: 1.5025568405721048
Energy: 1.5738359538866862
Energy: 1.557541778376061
Energy: 1.5001315296174147
Energy: 1.5635221740087237
Energy: 1.595803006079458
Energy: 1.4995421912976183
Energy: 1.5868350180680786
Energy: 1.5220246516981664
Energy: 1.463818840880992
Energy: 1.5977894419540697
Energy: 1.5681138551543006
Energy: 1.499819115341971
Energy: 1.5527264802796659
Energy: 1.5240368552934627
Energy: 1.586110481589187
Energy: 1.503071120526173
Energy: 1.5020315003309495
Energy: 1.5050345904625755
Energy: 1.5048496371553755
Energy: 1.5654673797055245
Energy: 1.5382689623211576
Energy: 1.5068782422476628
Energy: 1.535039866718512
Energy: 1.5060503521058335
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Energy: 1.5053974184090297
Energy: 1.5040669977663106
Energy: 1.5045236757409435
Energy: 1.506203724856551
Energy: 1.5339962082825438
Energy: 1.509958467355517
Energy: 1.5382569385603055
Energy: 1.5662457767488516
Energy: 1.5365325767398845
Energy: 1.5476695083074292
Energy: 1.5002559476690132
Energy: 1.5044891267685347
Energy: 1.5043286181439586
Energy: 1.501630710893421
Energy: 1.5643001152786606
Energy: 1.5118591912136412
Energy: 1.523252691160579
Energy: 1.5810176943549115
Energy: 1.5581298215578836
Energy: 1.501527896125392
Energy: 1.5752996176192626
Energy: 1.505952563261267
Energy: 1.5927033672103756
Energy: 1.5649470074138065
Energy: 1.512601703288424
Energy: 1.5056952991661279
Energy: 1.5364866955440095
Energy: 1.521617335174668
Energy: 1.502741718589518
Energy: 1.565834299733792
Energy: 1.5058009093400275
Energy: 1.5850436686697376
Energy: 1.5022504111287707
Energy: 1.5369045680480973
Energy: 1.5023196889204038
Energy: 1.5021030012297978
Energy: 1.535755917842324
Energy: 1.5048075663531697
Energy: 1.5396720435137041
Energy: 1.543308673468735
Energy: 1.586021179668229
Energy: 1.5444264445307823
Energy: 1.5160078564842934
Energy: 1.5290445796184517
Energy: 1.5025667456736258
Energy: 1.5174232735066902
Energy: 1.5535716177291452
Energy: 1.5014277730192287
Energy: 1.5793715801411286
Energy: 1.5953325515730434
Energy: 1.5022047824125713
Energy: 1.5023819445733029
Energy: 1.516916421574415
Energy: 1.4657582353773753
Energy: 1.5765227092934218
Energy: 1.5389613762321182
Energy: 1.5021032857428442
Energy: 1.5537863698558965
Energy: 1.5021044342704826
Energy: 1.5027238679793562
Energy: 1.50869631284475
Energy: 1.5022591256931155
Energy: 1.5037141205442843
Energy: 1.5056342387546287
Energy: 1.5377323255260873
Energy: 1.5373897276836672
Energy: 1.5034315569528913
Energy: 1.5365270702820772
Energy: 1.5045392052872673
Energy: 1.503135924323184
Energy: 1.5008634418270055
Energy: 1.5080062951385393
Energy: 1.591787898594956
Energy: 1.5031624276965354
Energy: 1.5374948621846145
Energy: 1.5117896418216326
Energy: 1.5110514666497659
Energy: 1.5683183785287267
Energy: 1.538791801095999
Energy: 1.5504130468182922
Energy: 1.5248058382654772
Energy: 1.5062056652123277
Energy: 1.510228247559648
Energy: 1.523211813716905
Energy: 1.5579916481115568

minimum gb energy = 1.463818840880992 eV
minimum distance =  2.30973753993425 Angstroms
sigma value = 33