Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049994595348835
cohesive_energy=3.360264143322612
mass=26.981538
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=[1.68087555026208e-19, 2.35348532298162e-19, 2.86972265622276e-19, 3.26738289678156e-19, 3.5887154424966e-19, 3.8687919398861397e-19, 4.1120824617590397e-19, 4.3076761852377597e-19, 4.4648176695004795e-19, 4.59767015599176e-19, 4.7150456161986e-19, 4.821029600537699e-19, 4.91687180678358e-19, 5.002796539665e-19, 5.0793805827702e-19, 5.14716867615474e-19, 5.20633705924836e-19, 5.25685368851838e-19, 5.29859038983408e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.37112092605526e-19, 5.355083137948919e-19, 5.331547163195459e-19, 5.29905502105794e-19, 5.25509129422098e-19, 5.19589086759468e-19, 5.1162626888848795e-19, 5.0109676404984e-19, 4.87595221555122e-19, 4.70906949735378e-19, 4.507707937992659e-19, 4.26690078990246e-19, 3.9780443645585994e-19, 3.6269593987501796e-19, 3.19203252968454e-19, 2.6457864280885797e-19, 1.96309896434118e-19, 1.127208166497432e-19, 9.67453532144658e-21, -1.2085971373279978e-19, -2.82970028390544e-19, -4.77062512363206e-19, -7.178488321571639e-19, -1.0440888449021459e-18, -1.517592922961238e-18, -2.23654245046596e-18, -3.46292855496126e-18, -5.8276451361472196e-18, -1.1163694415684217e-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: -5.87828410947289e-10 eV

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

Energy: 0.011681192508997835
Energy: 0.012304739414306163
Energy: 0.061709357205742346
Energy: 0.06186231664897663
Energy: 0.012320093025464624
Energy: 0.012592349328202709
Energy: 0.06201930530858388
Energy: 0.06166653054487138
Energy: 0.06180962730106106
Energy: 0.012252631334940011
Energy: 0.012250295239602119
Energy: 0.06195101078626418
Energy: 0.062455970383699995
Energy: 0.061633799193071916
Energy: 0.06202169896082703
Energy: 0.0621076002945275
Energy: 0.061861122147623945
Energy: 0.06263644670592892
Energy: 0.0616889860624765
Energy: 0.06223524484604647
Energy: 0.061702861310902433
Energy: 0.01219262279660491
Energy: 0.01195653407933063
Energy: 0.06191882725828521
Energy: 0.06170001375808314
Energy: 0.06221926958822658
Energy: 0.012073147123756352
Energy: 0.011947514295614907
Energy: 0.0617311259221182
Energy: 0.06157107474181089
Energy: 0.061691251987607734
Energy: 0.012236925760808417
Energy: 0.012092058619859129
Energy: 0.061730979722335044
Energy: 0.061634796775608944
Energy: 0.061862155717782995
Energy: 0.012223486998203343
Energy: 0.012047682364678007
Energy: 0.06156510018373538
Energy: 0.06155323469712681
Energy: 0.06166215313324833
Energy: 0.061901911381983914
Energy: 0.06181885183609153
Energy: 0.012099210231133535
Energy: 0.012228268079469798
Energy: 0.06156160216723409
Energy: 0.061896358990408185
Energy: 0.06214544306600301
Energy: 0.01206980189515506
Energy: 0.061625548827127154
Energy: 0.06175069139408557
Energy: 0.06166048521798123
Energy: 0.062061460771085764
Energy: 0.011988203684018688
Energy: 0.012172704521336024
Energy: 0.06170984278398906
Energy: 0.4069116069170307
Energy: 0.06238297418026958
Energy: 0.012047094649641285
Energy: 0.012367568502664567
Energy: 0.012266039298208069
Energy: 0.06183343746726373
Energy: 0.06156933926835674
Energy: 0.06361028418967223
Energy: 0.06207380238950371
Energy: 0.012266477000797193
Energy: 0.0618866946645968
Energy: 0.06159347878294938
Energy: 0.06245048335391464
Energy: 0.06248207648924431

minimum gb energy = 0.011681192508997835 eV
minimum distance =  2.82693532829842 Angstroms
sigma value = 3


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

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Energy: 0.565904218389015
Energy: 0.547079853822631
Energy: 0.548552102432597
Energy: 0.5599143299721627
Energy: 0.6003387941365611
Energy: 0.5427743274794977
Energy: 0.5474504558916284
Energy: 0.5495389198075146
Energy: 0.5678747387271652
Energy: 0.4671888876715342
Energy: 0.603427555369215
Energy: 0.5488801995096825
Energy: 0.5508854000050111
Energy: 0.48614606489839485
Energy: 0.5153503131932795
Energy: 0.6225587516785163
Energy: 0.5521349905578988
Energy: 0.552129590456229
Energy: 0.5333190072308599
Energy: 0.5460291792687053
Energy: 0.6848405653671836
Energy: 0.5689764514004344
Energy: 0.5275257522325073
Energy: 0.5257356122967842
Energy: 0.49471095457773606
Energy: 0.685204887134453
Energy: 0.5787409811962408
Energy: 0.529595797554051
Energy: 0.5282207785327567
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Energy: 0.6077329280486151
Energy: 0.48479365454598095
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Energy: 0.6082211398427184
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Energy: 0.6294435882717956
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Energy: 0.5889491913837613
Energy: 0.659436747546919
Energy: 0.6011623110958486
Energy: 0.560500658754188
Energy: 0.5699766177796296
Energy: 0.5712936417017026
Energy: 0.6012158135512636
Energy: 0.6018495999349232
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Energy: 0.5690073227959955
Energy: 0.5727280979802768
Energy: 0.6009523367368778
Energy: 0.4362610337826829
Energy: 0.709523892784832
Energy: 0.5743157161870629
Energy: 0.5692316377962571
Energy: 0.48170205247177217
Energy: 0.5138435109799605
Energy: 0.7076802822057128
Energy: 0.5743859588010528
Energy: 0.5689031677850613
Energy: 0.48217328880245536
Energy: 0.48579566695636384
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Energy: 0.5079989051495155
Energy: 0.5233757129892502
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Energy: 0.6842701676075635
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Energy: 0.5112804264489719
Energy: 0.6846764641177963
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Energy: 0.5082441542930151
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Energy: 0.45971103742873765
Energy: 0.6203545981058167
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Energy: 0.5973573412055863
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Energy: 0.5443469781089469
Energy: 0.6671249058681905
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Energy: 0.7122938742660152
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Energy: 0.5591848845386019
Energy: 0.43826202476717496
Energy: 0.6875237595655505
Energy: 0.5771661393663378
Energy: 0.5622757983863684
Energy: 0.5608184627091822
Energy: 0.45375925340016726
Energy: 0.6805169245709457
Energy: 0.5623994317563874
Energy: 0.5108993366386727
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Energy: 0.4879665912960022
Energy: 0.5095846913959795
Energy: 0.6130538020266206
Energy: 0.5164365574651945
Energy: 0.5290886415249307
Energy: 0.5133142996286988
Energy: 0.4943320250972943
Energy: 0.6142669112031457
Energy: 0.6168653118665172
Energy: 0.5121331997018604
Energy: 0.5273164691379246
Energy: 0.49194672668608386
Energy: 0.5489773983111825
Energy: 0.5212581961231268
Energy: 0.5237268551175126
Energy: 0.5303917153413626
Energy: 0.5101310731628533
Energy: 0.6145146959949819
Energy: 0.671531808077786
Energy: 0.5408868441796075
Energy: 0.5262468404220777
Energy: 0.5938184786661863
Energy: 0.5565033547562488
Energy: 0.6699589157762923
Energy: 0.4950140204105401
Energy: 0.6202708828895783
Energy: 0.6408060816808774
Energy: 0.5692266197737456
Energy: 0.6026473453635134
Energy: 0.543795952321783
Energy: 0.6213475141511827
Energy: 0.6300267167224235
Energy: 0.5968196698976141
Energy: 0.5641537404503203
Energy: 0.6694609553529934
Energy: 0.5789079452116384
Energy: 0.6299171484392919
Energy: 0.5970153117078237
Energy: 0.5388769231318034
Energy: 0.6242847026004954
Energy: 0.5613571682154661
Energy: 0.5796168631047509
Energy: 0.6123635138915161
Energy: 0.48622572663817865
Energy: 0.6202455999827986
Energy: 0.5515876279180125
Energy: 0.5624073288606831
Energy: 0.6375626531974574
Energy: 0.6400267757267724
Energy: 0.5425940318135745
Energy: 0.5495492900891842
Energy: 0.5526226160999234
Energy: 0.6024353559700711
Energy: 0.6036281769479097
Energy: 0.5447683925677206
Energy: 0.5455361914320356
Energy: 0.5487133980213501
Energy: 0.6590488084017978

minimum gb energy = 0.4362610337826829 eV
minimum distance =  2.50078867554298 Angstroms
sigma value = 75


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

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Energy: 0.5285471974792588
Energy: 0.4902901603857434
Energy: 0.541127467491894
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Energy: 0.5575831428331004
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Energy: 0.516679425147052
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Energy: 0.5289324979693159
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Energy: 0.67153375262429
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Energy: 0.5226650235132413
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Energy: 0.5960905660485611
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Energy: 0.5503194371271718
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Energy: 0.5615626510886181
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minimum gb energy = 0.48971627289355885 eV
minimum distance =  2.52001089885671 Angstroms
sigma value = 105


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

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Energy: 0.5249359092600484
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Energy: 0.5283298241708037
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Energy: 0.5166440134550068
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Energy: 0.5486236456282053
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Energy: 0.5034153100047862
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Energy: 0.5985952669950005
Energy: 0.5032643162458897
Energy: 0.5043322230967581
Energy: 0.5383559099807258
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Energy: 0.5171758016446353
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Energy: 0.5290409969530333
Energy: 0.5023625887806943
Energy: 0.5160510881051419
Energy: 0.5168356223982427
Energy: 0.5128304380007213
Energy: 0.530348179586204
Energy: 0.502145686619649
Energy: 0.5170718030206274
Energy: 0.5027344709057309
Energy: 0.5041603939433421
Energy: 0.5739406927942724
Energy: 0.5399444685464422
Energy: 0.6108511587761111
Energy: 0.5024472240215568
Energy: 0.5041194483468879
Energy: 0.5325252558499314
Energy: 0.552010054916272
Energy: 0.5281146489277808
Energy: 0.5485010993653524
Energy: 0.5365156958560054
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Energy: 0.502298110371936
Energy: 0.5218115903208704
Energy: 0.5042584347930911
Energy: 0.49110306495497413
Energy: 0.5011364231328066
Energy: 0.5022421210002341
Energy: 0.5791856036843325
Energy: 0.5439879342672881
Energy: 0.48876232812178605
Energy: 0.5072340970665963
Energy: 0.5157782882362801
Energy: 0.49789740042675
Energy: 0.544184408435643
Energy: 0.48892436852040333
Energy: 0.5075869501606581
Energy: 0.5166641714667898
Energy: 0.5382304288361757
Energy: 0.5123420395799632
Energy: 0.6292674253718238
Energy: 0.5146224925800172
Energy: 0.51735682699386
Energy: 0.5280224613201331
Energy: 0.5233685650376634
Energy: 0.5328625925704066
Energy: 0.5282053058827657
Energy: 0.5176112975713206
Energy: 0.528439500703746
Energy: 0.5004606330732396
Energy: 0.5397877682687499
Energy: 0.5072244017660247
Energy: 0.48961567854262583
Energy: 0.5159264446908086
Energy: 0.5040680939350856
Energy: 0.5394874854244323
Energy: 0.5070272087412327
Energy: 0.5332402175661153
Energy: 0.515830664243774
Energy: 0.528515930698956
Energy: 0.4895102080808316
Energy: 0.5110994481981475
Energy: 0.5116018250103246
Energy: 0.5104799069859743
Energy: 0.5143149164857133
Energy: 0.4895546783579064
Energy: 0.5111467168333291
Energy: 0.5115845435152556
Energy: 0.5018305585162948

minimum gb energy = 0.4845423928239897 eV
minimum distance =  2.59136518167688 Angstroms
sigma value = 165


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

Energy: 0.6534081584193543
Energy: 0.47447676989408294
Energy: 0.47884287233253003
Energy: 0.47857327511096404
Energy: 0.4590233086838403
Energy: 0.6021852895313612
Energy: 0.47946270502211463
Energy: 0.49559920366194893
Energy: 0.4915049090614452
Energy: 0.474474515261361
Energy: 0.5346049691274755
Energy: 0.5388880550470166
Energy: 0.4799217786157674
Energy: 0.4786239428864494
Energy: 0.48804515218751193
Energy: 0.5132406848918193
Energy: 0.5387145969164059
Energy: 0.5170680544373516
Energy: 0.5020000557666693
Energy: 0.5019619696256321
Energy: 0.5000121129871977
Energy: 0.5460490553713201
Energy: 0.5527021975795666
Energy: 0.5021079404789587
Energy: 0.5080819313419018
Energy: 0.47201451379643766
Energy: 0.5108222480842427
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Energy: 0.47276788728922575
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Energy: 0.5441650787263783
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Energy: 0.5101206862795699
Energy: 0.5200375295147313
Energy: 0.508766358667303
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Energy: 0.5037165560774103
Energy: 0.49054921906334986
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Energy: 0.5541454116856641
Energy: 0.49642706777963463
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Energy: 0.5721343433562269
Energy: 0.5740157795315541
Energy: 0.5292692092114
Energy: 0.6954353832242248
Energy: 0.4990166371731252
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Energy: 0.48992261063278075
Energy: 0.687453152002288
Energy: 0.5042783604506994
Energy: 0.5193441997576641
Energy: 0.5036717889160781
Energy: 0.4577134974224623
Energy: 0.5259098172019295
Energy: 0.5632418364714455
Energy: 0.5043074667242481
Energy: 0.5050325160387495
Energy: 0.49265762874909347
Energy: 0.47970599225878696
Energy: 0.5419767756558989
Energy: 0.49832367299015884
Energy: 0.5062306532307126
Energy: 0.5312097831206035
Energy: 0.49796069150158534
Energy: 0.5114364632895244
Energy: 0.544714503864173
Energy: 0.5052530331080981
Energy: 0.5515854058240263
Energy: 0.5119124222251568
Energy: 0.5036535504779467
Energy: 0.5417500533577049
Energy: 0.5229149896637747
Energy: 0.5867846074333816
Energy: 0.5048251631272003
Energy: 0.5163734614812664
Energy: 0.5031258864018348
Energy: 0.49915142308876287
Energy: 0.4932687012394773
Energy: 0.502661530259139
Energy: 0.49439081235079435
Energy: 0.5035130263158187
Energy: 0.5036524757119344
Energy: 0.49519398943931514
Energy: 0.514773063251278
Energy: 0.4839089276697629
Energy: 0.48498155216352284
Energy: 0.5000173238207076
Energy: 0.514480842432082
Energy: 0.47472173318182775
Energy: 0.4853011491920358
Energy: 0.5028933244791386
Energy: 0.5021213968469644
Energy: 0.4987774043591875
Energy: 0.4998093816378789
Energy: 0.47417580479179006
Energy: 0.5138148884544184
Energy: 0.48142788428104305
Energy: 0.5030498588329577
Energy: 0.4785512603953414
Energy: 0.4744212300725331
Energy: 0.5161831620744555
Energy: 0.4805047305173981
Energy: 0.5042131949200112
Energy: 0.6409370242192989
Energy: 0.5197553507326513
Energy: 0.5213171717231154
Energy: 0.5186252448752782
Energy: 0.5204446550067202
Energy: 0.5973291618511076
Energy: 0.4886587130920917
Energy: 0.5001230896285208
Energy: 0.49641562716837445
Energy: 0.539718678746172

minimum gb energy = 0.4577134974224623 eV
minimum distance =  2.57907410057996 Angstroms
sigma value = 41


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

Energy: 0.9441698163930565
Energy: 0.43679097560182645
Energy: 0.4568170289431456
Energy: 0.4188010029045871
Energy: 0.4525475206168444
Energy: 0.41042070951967385
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Energy: 0.40289794635469944
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Energy: 0.41493444651769384
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Energy: 0.4066391679689639
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Energy: 0.46035916865932747
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Energy: 0.4235866881712904
Energy: 0.4079859660348624
Energy: 0.4128669342702008
Energy: 0.41747698975561587
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Energy: 0.406394959831311
Energy: 0.4456446833177813
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Energy: 0.4276770735782759
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Energy: 0.43831066998711027
Energy: 0.49451560368058245
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Energy: 0.40716396691673257
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Energy: 0.4341123115156701
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Energy: 0.4826133789619958
Energy: 0.45990721421239167
Energy: 0.40989184149596664
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Energy: 0.4165539807298147
Energy: 0.4729643953111615
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Energy: 0.4080109934716045
Energy: 0.43895040425486825
Energy: 0.48169659883802557
Energy: 0.4429227735387636
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Energy: 0.4066038980023275
Energy: 0.4558691828596036
Energy: 0.4437403859110228
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Energy: 0.4349053458663955
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Energy: 0.4083607893846052
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Energy: 0.40674973671618253
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Energy: 0.49219882574496643
Energy: 0.41105174993926624
Energy: 0.4393739338105786
Energy: 0.41339652422622447
Energy: 0.4139883078844113
Energy: 0.41368879890203736
Energy: 0.4109459098180675
Energy: 0.5336335348642884
Energy: 0.4132748399407354
Energy: 0.4130012829448896
Energy: 0.4388400535748981
Energy: 0.40595787921588855
Energy: 0.4428302570106226
Energy: 0.4364377242350722
Energy: 0.4275899710117589
Energy: 0.43235582561301206
Energy: 0.4061049196491044
Energy: 0.4545338252305158
Energy: 0.43659060047552783
Energy: 0.42730255550253043
Energy: 0.4405608124898526
Energy: 0.41640034707553375
Energy: 0.41764578231688393
Energy: 0.4419474874705763
Energy: 0.43278567723564737
Energy: 0.4299311857475054
Energy: 0.41360786160527463
Energy: 0.41843456717770666
Energy: 0.44070381199404995
Energy: 0.43416464681434286
Energy: 0.42977950488814476
Energy: 0.5328015847388052
Energy: 0.4131214955423713
Energy: 0.4530563280575039
Energy: 0.4546570177411528
Energy: 0.40808369169645775
Energy: 0.5090049938100497
Energy: 0.4130824525780751
Energy: 0.45197191269785414
Energy: 0.45282452069416484
Energy: 0.4043120282039057

minimum gb energy = 0.4021535652941309 eV
minimum distance =  2.65262997143316 Angstroms
sigma value = 185


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

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Energy: 0.2567642111848923
Energy: 0.3424280018083008
Energy: 0.32700551885569673
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Energy: 0.1861074753462092
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Energy: 0.36185555784425505
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Energy: 0.3506261182994771
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Energy: 0.32230917786522595
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Energy: 0.18580550006248886
Energy: 0.3441715789645088
Energy: 0.3581830685775942
Energy: 0.3310217300809921
Energy: 0.187267842521567
Energy: 0.1889506771000448
Energy: 0.3278559931257797
Energy: 0.36770963976683557
Energy: 0.2894663551395979
Energy: 0.1867961114167617
Energy: 0.18619254069593352
Energy: 0.31429210530539875
Energy: 0.3384266946022558
Energy: 0.30918458570894286
Energy: 0.3314230418594905
Energy: 0.3463172157303712
Energy: 0.35933486220212996
Energy: 0.36611099578142364
Energy: 0.30581789889388944
Energy: 0.3157708062064669
Energy: 0.31960806361562805
Energy: 0.32154249642656124
Energy: 0.3547949528354085
Energy: 0.3250045701350656
Energy: 0.26476120726999797
Energy: 0.3278918553552084
Energy: 0.35223464555385153
Energy: 0.3587033612219202
Energy: 0.2984516929827154
Energy: 0.2145335456815007
Energy: 0.30956868259063863
Energy: 0.32335639469129546
Energy: 0.34115257132580923
Energy: 0.25724188469875536

minimum gb energy = 0.16429861931759218 eV
minimum distance =  2.64850411554005 Angstroms
sigma value = 33


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

Energy: 0.5287177828121992
Energy: 0.3760432055666041
Energy: 0.4060436991863963
Energy: 0.375691308215457
Energy: 0.37703550096575855
Energy: 0.37820465022885
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Energy: 0.37661832864065564
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Energy: 0.3887065447888661
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Energy: 0.44307816165287867
Energy: 0.37688170358196177
Energy: 0.37756169486195923
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Energy: 0.37691623169529065
Energy: 0.3770039350408588
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Energy: 0.3772051428597024
Energy: 0.4031449085247452
Energy: 0.38341323195408794
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Energy: 0.3777209673015456
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Energy: 0.37748600697248447
Energy: 0.41074172922962005
Energy: 0.46193261862716306
Energy: 0.37836349940595815
Energy: 0.3754885719719408
Energy: 0.38722243265351486
Energy: 0.41098206525626063
Energy: 0.46170257399664805
Energy: 0.375256255505587
Energy: 0.3764762951205887
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Energy: 0.38273841365831657
Energy: 0.3829351641891478
Energy: 0.375828856312544
Energy: 0.37714875431246647
Energy: 0.4466511191509308
Energy: 0.38358202448156364
Energy: 0.38276471539005136
Energy: 0.40326356307627026
Energy: 0.376858621158075
Energy: 0.3984695598961647
Energy: 0.38895826585075843
Energy: 0.38296279830862573
Energy: 0.40314295103541387
Energy: 0.402759010704818
Energy: 0.3987143716261748
Energy: 0.3893739795214107
Energy: 0.3829800232751497
Energy: 0.3819954334240368
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Energy: 0.4059750770042172
Energy: 0.39431857922387364
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Energy: 0.38299689349576826
Energy: 0.40601938657127756
Energy: 0.39408552712251754
Energy: 0.3754143610739958

minimum gb energy = 0.3627701802159972 eV
minimum distance =  2.65885444796148 Angstroms
sigma value = 219


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

Energy: 0.7408888294391263
Energy: 0.46625265656458165
Energy: 0.4811200338056562
Energy: 0.46669457755398214
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Energy: 0.4810586734537497
Energy: 0.481326566292468
Energy: 0.46586803740275085
Energy: 0.4658466185008323
Energy: 0.4658820088494953
Energy: 0.4785707043591138
Energy: 0.4659478873683053
Energy: 0.46616510682045637
Energy: 0.46600611622707583
Energy: 0.4802929864225611
Energy: 0.4783965022597285
Energy: 0.47933166166649593
Energy: 0.4898583861174195
Energy: 0.4813709988137347
Energy: 0.4834596501349689
Energy: 0.47418704270638234
Energy: 0.49033840665562944
Energy: 0.48972532828603227
Energy: 0.4828245303848254
Energy: 0.4803916807714228
Energy: 0.47894460037060016
Energy: 0.47893622610627246
Energy: 0.48256754038316635
Energy: 0.4423303715060385
Energy: 0.4793025990209052
Energy: 0.4758609499135554
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Energy: 0.4426556131373895
Energy: 0.44234126046936134
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Energy: 0.47588793737830637
Energy: 0.480343087485141
Energy: 0.4808227295723273
Energy: 0.5556567278657515
Energy: 0.4901626732715038
Energy: 0.4769287464838097
Energy: 0.4800894080289003
Energy: 0.48206022261483356
Energy: 0.4815993758147487
Energy: 0.505107921490083
Energy: 0.47584528629614076
Energy: 0.6269592256520194
Energy: 0.4660173379777444
Energy: 0.4763605568512963
Energy: 0.4760982078124173
Energy: 0.480828397521582
Energy: 0.6275314790832015
Energy: 0.4663073001692054
Energy: 0.4762622207059598
Energy: 0.5300521037140591
Energy: 0.4807095760273348
Energy: 0.481293762818519
Energy: 0.4864902664395163
Energy: 0.4898820091085248
Energy: 0.483180956101526
Energy: 0.4800939981066961
Energy: 0.4765570443909672
Energy: 0.48669744188433467
Energy: 0.49132226704557225
Energy: 0.4824343220929335
Energy: 0.4815921440128764
Energy: 0.4653062820417199
Energy: 0.47670885979647704
Energy: 0.48104533558357593
Energy: 0.4816444306148979
Energy: 0.47964985308333036
Energy: 0.46535296414507843
Energy: 0.47652322592454954
Energy: 0.48105179503136924
Energy: 0.48333013130420216
Energy: 0.47938343394961147

minimum gb energy = 0.4423303715060385 eV
minimum distance =  2.6155908200955 Angstroms
sigma value = 15


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

Energy: 0.865995706271833
Energy: 0.5489004176819542
Energy: 0.5375105898601309
Energy: 0.531539273792949
Energy: 0.5281596682445663
Energy: 0.7028687106466122
Energy: 0.5492741354487992
Energy: 0.5389830834551528
Energy: 0.5309928720904195
Energy: 0.5278755279299229
Energy: 0.579623564694515
Energy: 0.5397839581831252
Energy: 0.5228689112475475
Energy: 0.5241601714502458
Energy: 0.5391214996029534
Energy: 0.5745520097422312
Energy: 0.5401094935236872
Energy: 0.522280344492501
Energy: 0.524645857858341
Energy: 0.5586506738461755
Energy: 0.5499773366490317
Energy: 0.5409458468677472
Energy: 0.5424767774331203
Energy: 0.5197457489733726
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minimum gb energy = 0.5085665356482988 eV
minimum distance =  2.5645324486418 Angstroms
sigma value = 293


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

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Energy: 0.5730519715986894
Energy: 0.5469369036305826
Energy: 0.5332532404980395
Energy: 0.5400931530502869
Energy: 0.6070726503454493
Energy: 0.5385253835367392
Energy: 0.5409847229097389
Energy: 0.561093454656234
Energy: 0.5412435780382926
Energy: 0.6035010022796822
Energy: 0.5540702711505625
Energy: 0.5601847599722483
Energy: 0.5633975622425398
Energy: 0.6216969767309612
Energy: 0.5943299763310383
Energy: 0.5409905428886672
Energy: 0.5571243569306404
Energy: 0.5555916055184208
Energy: 0.5852067135060813
Energy: 0.6146855650425119
Energy: 0.5271182449444459
Energy: 0.585687526363401
Energy: 0.6196901379906654
Energy: 0.5316338453749463
Energy: 0.5632343719633606
Energy: 0.5273162519626384
Energy: 0.585732710049877
Energy: 0.61805407149533
Energy: 0.5311259851084438
Energy: 0.5658760258809603
Energy: 0.670696769571588
Energy: 0.5531189340376133
Energy: 0.5240815023085839
Energy: 0.5354308644745135
Energy: 0.5210000825905273
Energy: 0.6700500772921627
Energy: 0.5529424508688412
Energy: 0.524125612396472
Energy: 0.5353139543484412
Energy: 0.5336306108009412
Energy: 0.5796290532904598
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Energy: 0.5341508394556883
Energy: 0.5303774218672891
Energy: 0.5424375630100375
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Energy: 0.5497246925534964
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Energy: 0.5256402137359444
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Energy: 0.669383469712613
Energy: 0.5399533494910731
Energy: 0.53532806011941
Energy: 0.5291524667972877
Energy: 0.5576929509631138
Energy: 0.5328166023280376
Energy: 0.5331724297363848
Energy: 0.5249723420622611
Energy: 0.5275641705376991
Energy: 0.5581464720925158
Energy: 0.5357438140287084
Energy: 0.5251006661478834
Energy: 0.5250347787157534
Energy: 0.5268613422303563
Energy: 0.5508703026982485
Energy: 0.6787262890339686
Energy: 0.5431319787669656
Energy: 0.5239273582355672
Energy: 0.5606111624341712
Energy: 0.5407952971438289
Energy: 0.661760393687655
Energy: 0.5433427051827608
Energy: 0.5238665604157942
Energy: 0.5451036783696301
Energy: 0.5788417583622902
Energy: 0.5911597574087262
Energy: 0.5680892590241261
Energy: 0.5468985599768527
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Energy: 0.5849583654341066
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Energy: 0.5571933359860162
Energy: 0.5933153961692543
Energy: 0.6078406524996974
Energy: 0.5476109795960065
Energy: 0.5714537761940787
Energy: 0.6154741845605356
Energy: 0.591713720761861
Energy: 0.6074200586490576
Energy: 0.5477909065069007
Energy: 0.5758282853965074
Energy: 0.622351918418668
Energy: 0.5861916732357709
Energy: 0.5702190669162938
Energy: 0.5823904136581346
Energy: 0.5868706542912754
Energy: 0.5873405271601008
Energy: 0.5859734056484118
Energy: 0.5276516573177252
Energy: 0.5588524382339991
Energy: 0.6218868678300119
Energy: 0.5311002214126773
Energy: 0.5388314807907868
Energy: 0.674772817439355
Energy: 0.5030829180541557
Energy: 0.5282463473410346
Energy: 0.5302244141435574
Energy: 0.5369183963387878
Energy: 0.6718789339348532
Energy: 0.5031976213669372
Energy: 0.5284975488183032
Energy: 0.5375683311043394
Energy: 0.5304667759095502
Energy: 0.5322000390671145
Energy: 0.5460457945378436
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Energy: 0.5371773405265599
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Energy: 0.5478397783359877
Energy: 0.549991854728992
Energy: 0.5406197607624591
Energy: 0.5356251643314488
Energy: 0.5265929298895018
Energy: 0.6126630740464102
Energy: 0.5592644848252359
Energy: 0.5521184329870062
Energy: 0.5469792693345302
Energy: 0.5824611687731088
Energy: 0.6118951792320941
Energy: 0.5524801137616517
Energy: 0.5419854284999059
Energy: 0.5749484503667306
Energy: 0.5628293916573243
Energy: 0.5673102889885536
Energy: 0.5624577857624543
Energy: 0.6156417962712257
Energy: 0.5636647900565676
Energy: 0.6043315751387128
Energy: 0.561321343042471
Energy: 0.5682145868974268
Energy: 0.6847010234015083
Energy: 0.5250157876973965
Energy: 0.527119578681096
Energy: 0.5580404540806729
Energy: 0.5584823383436606
Energy: 0.6128587113051838
Energy: 0.5233298290382093
Energy: 0.5259366406995678
Energy: 0.5571557060117585
Energy: 0.5637893770852589
Energy: 0.5098883631134703
Energy: 0.5234374362963292
Energy: 0.524831725643818
Energy: 0.5296304232188891
Energy: 0.5902795694310625
Energy: 0.5898898486989618
Energy: 0.5227562311075754
Energy: 0.5257334674503635
Energy: 0.5306228789808474
Energy: 0.5896405651417422
Energy: 0.5371883504418152
Energy: 0.5264132319715084
Energy: 0.5557018734447402
Energy: 0.540800068561789
Energy: 0.6676249930657382
Energy: 0.5402304460936171
Energy: 0.5244202948761008
Energy: 0.5550731633921876
Energy: 0.5294406917724921
Energy: 0.6788217296320477
Energy: 0.5428960989897691
Energy: 0.5355930171253477
Energy: 0.5450164683636213
Energy: 0.583060532955784
Energy: 0.5475915675326468
Energy: 0.6002719270773599
Energy: 0.5397417181904466
Energy: 0.5475510920039298
Energy: 0.5713765332791556
Energy: 0.5480347423854466
Energy: 0.6069421109959069
Energy: 0.546853442999977
Energy: 0.552896756774794
Energy: 0.5681491920195739
Energy: 0.6199615572456553
Energy: 0.5903690691401963
Energy: 0.5299317312691488
Energy: 0.5571874819848807
Energy: 0.5626699229137315
Energy: 0.5809285920079996
Energy: 0.6197214220105141
Energy: 0.6022477357824584
Energy: 0.5570383175772357
Energy: 0.6156106549784092
Energy: 0.5848175499282918
Energy: 0.5621885466831104
Energy: 0.6705542517415741
Energy: 0.5553181399152995
Energy: 0.6093317317524994
Energy: 0.5797295114045032
Energy: 0.549780430589963

minimum gb energy = 0.5030829180541557 eV
minimum distance =  2.57308905702996 Angstroms
sigma value = 293


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

Energy: 0.5014399963572368
Energy: 0.5501705899805266
Energy: 0.5610542833370677
Energy: 0.5914383214299087
Energy: 0.5500091708344065
Energy: 0.5021260881267752
Energy: 0.5696412923435519
Energy: 0.5621980654232916
Energy: 0.5915475098396026
Energy: 0.5056965665373361
Energy: 0.502829020891318
Energy: 0.548090243791278
Energy: 0.5486457684930026
Energy: 0.591573221967803
Energy: 0.5909406388918192
Energy: 0.5885331861982507
Energy: 0.5478122404618451
Energy: 0.5515668675520498
Energy: 0.5924910500463841
Energy: 0.590980875747368
Energy: 0.591203500109912
Energy: 0.5488863178037768
Energy: 0.5470859805057534
Energy: 0.5613253066596774
Energy: 0.5434007737540193
Energy: 0.5924663486218366
Energy: 0.5481270252598547
Energy: 0.5473588689597864
Energy: 0.562070744294273
Energy: 0.5869339395533438
Energy: 0.5876095034038027
Energy: 0.5031547038912259
Energy: 0.5031863256032602
Energy: 0.5916014437632533
Energy: 0.5633231619631157
Energy: 0.5875004382398181
Energy: 0.5025480380305665
Energy: 0.5033408860887627
Energy: 0.5923059407578202
Energy: 0.5434097502528261
Energy: 0.5914161104941057
Energy: 0.5510573776441392
Energy: 0.5023140986807696
Energy: 0.5619278314411247
Energy: 0.546902255643013
Energy: 0.5912160013677239
Energy: 0.5057070109233679
Energy: 0.5025046697266679
Energy: 0.5131747861437194
Energy: 0.5473079233613056
Energy: 0.591289368041485
Energy: 0.5619374073631729
Energy: 0.5691771801062326
Energy: 0.5490590820441782
Energy: 0.5853392980508697
Energy: 0.5914692697065624
Energy: 0.5608283622707854
Energy: 0.5690451802272917
Energy: 0.5477149202701846
Energy: 0.5850043642320693
Energy: 0.5887514109491699
Energy: 0.5064551903640198
Energy: 0.5927230829911249
Energy: 0.5484444499973233
Energy: 0.5133684698449581
Energy: 0.5883971896781551
Energy: 0.5052663530540517
Energy: 0.5925631928872398
Energy: 0.5482440854320323
Energy: 0.5143584000684847
Energy: 0.59155559599816
Energy: 0.5871834846445458
Energy: 0.5611887642607385
Energy: 0.5019663010573319
Energy: 0.5520273169305346
Energy: 0.5914372864229397
Energy: 0.5886057574286245
Energy: 0.5623499047016538
Energy: 0.5017746085457225
Energy: 0.5840170232613099
Energy: 0.5479260795081955
Energy: 0.5525907225315133
Energy: 0.5914216479429293
Energy: 0.5031989216881088
Energy: 0.588503812314946
Energy: 0.5483704347142442
Energy: 0.592224461953827
Energy: 0.5914132652589574
Energy: 0.5030911394953992
Energy: 0.5887997463828796
Energy: 0.5481740106379046
Energy: 0.5138101174472718
Energy: 0.588725967480321
Energy: 0.5698907053158491
Energy: 0.5913039966077724
Energy: 0.5485362940881748
Energy: 0.5141719558147406
Energy: 0.5881017335939747
Energy: 0.5699680225690649
Energy: 0.548041364232635
Energy: 0.5028854521820536
Energy: 0.5914156718451493
Energy: 0.5916605930281742
Energy: 0.5925388907087481
Energy: 0.5696076829344123
Energy: 0.5034421690079106
Energy: 0.5916785588325092
Energy: 0.54533113856085
Energy: 0.5703697399328567
Energy: 0.5696237390243054
Energy: 0.5015692208334659
Energy: 0.5693806736247854
Energy: 0.561858928602836
Energy: 0.5910701977903513
Energy: 0.5501863742844402
Energy: 0.502210450331098
Energy: 0.5697123289544056
Energy: 0.5621065506845444
Energy: 0.5916025847038052
Energy: 0.5515233053727749
Energy: 0.5875648819193248
Energy: 0.5481032582107823
Energy: 0.5484136905946458
Energy: 0.5917531116424927
Energy: 0.5909806758848101
Energy: 0.5878772010233649
Energy: 0.5476020030508653
Energy: 0.5511850573080238
Energy: 0.592623391370105
Energy: 0.5910657755914445
Energy: 0.591158036720664
Energy: 0.5490010418920123
Energy: 0.5470458957008112
Energy: 0.5618881960866089
Energy: 0.5425827401692981
Energy: 0.5925598433617574
Energy: 0.5487814410326104
Energy: 0.547338816058711
Energy: 0.56249151719896
Energy: 0.5869414947633599
Energy: 0.5608395417187026
Energy: 0.5029882111939279
Energy: 0.5030633353152778
Energy: 0.5913900472845361
Energy: 0.5613357422158194
Energy: 0.5880933739647072
Energy: 0.5026855188358782
Energy: 0.5031090137591392
Energy: 0.5921516754792121
Energy: 0.5446135198663853
Energy: 0.5915833406777075
Energy: 0.5513954674475718
Energy: 0.5023013248237399
Energy: 0.5625806610576801
Energy: 0.5469029259662999
Energy: 0.5929963268399038
Energy: 0.5500170146179945
Energy: 0.5026903492993152
Energy: 0.5125948071983455
Energy: 0.5473066210848533
Energy: 0.5912626622658315
Energy: 0.561695876195856
Energy: 0.5695742192501323
Energy: 0.5488046315759781
Energy: 0.5841386586979179
Energy: 0.5915241373926725
Energy: 0.5888084887960977
Energy: 0.5690943184985389
Energy: 0.5475960367560436
Energy: 0.5840793502310231
Energy: 0.5698616947864166
Energy: 0.5452833878209645
Energy: 0.5911642730832626
Energy: 0.548598461652083
Energy: 0.562153757457125
Energy: 0.570078817126719
Energy: 0.5055188480693625
Energy: 0.5913258699640689
Energy: 0.5483073869576853
Energy: 0.562914432305674
Energy: 0.591426092586769
Energy: 0.5871201343943289
Energy: 0.5878626618775519
Energy: 0.5021189825007776
Energy: 0.5516674718604169
Energy: 0.5714713589603989
Energy: 0.5881591485318967
Energy: 0.5620057978202302
Energy: 0.5018361878752758
Energy: 0.5847150054721053
Energy: 0.5478076574650801
Energy: 0.5840893447698591
Energy: 0.5918363117303205
Energy: 0.5033580506099433
Energy: 0.5888373070343842
Energy: 0.5484059449999236
Energy: 0.5918392144540372
Energy: 0.591767863564442
Energy: 0.503178044073876
Energy: 0.5471542836202108
Energy: 0.5488580792870168
Energy: 0.5135062591558911
Energy: 0.5883100199502822
Energy: 0.5698925136962067
Energy: 0.591922455929076
Energy: 0.549028414966596
Energy: 0.5141127879810526
Energy: 0.6249320490098967
Energy: 0.5702404040174889
Energy: 0.5925603036817246
Energy: 0.5030351502241565
Energy: 0.5915914806226681
Energy: 0.5915165486694008
Energy: 0.5887583500343839
Energy: 0.5696386163382732
Energy: 0.5030935872165336
Energy: 0.5911830278119355
Energy: 0.54564599699032
Energy: 0.5701321026933368
Energy: 0.5700044135792459

minimum gb energy = 0.5014399963572368 eV
minimum distance =  2.61234691218591 Angstroms
sigma value = 15


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

Energy: 0.5393108036728552
Energy: 0.5457206991457338
Energy: 0.5986147176240755
Energy: 0.5863926278916913
Energy: 0.5380635357351157
Energy: 0.5278607465709597
Energy: 0.578075198983222
Energy: 0.5564683564344745
Energy: 0.5846046308617902
Energy: 0.5511827764112516
Energy: 0.511867520620419
Energy: 0.5736971605348353
Energy: 0.5379412232589951
Energy: 0.5444380962584776
Energy: 0.579006918570378
Energy: 0.612896425176362
Energy: 0.5771171168840603
Energy: 0.5368530002426818
Energy: 0.5961847871161636
Energy: 0.5780316939903241
Energy: 0.594213862454649
Energy: 0.5900953810981111
Energy: 0.5780674135263183
Energy: 0.556277710341558
Energy: 0.5922094583744711
Energy: 0.5845612812013277
Energy: 0.6152213425135991
Energy: 0.5959530717699312
Energy: 0.5506848199492614
Energy: 0.5877977497778125
Energy: 0.5884115542805348
Energy: 0.5555292318721058
Energy: 0.5931868608626718
Energy: 0.5943480877646444
Energy: 0.5904706235498378
Energy: 0.5906261982167572
Energy: 0.5511500341107249
Energy: 0.5844267348133948
Energy: 0.5912958401504128
Energy: 0.5875012971342692
Energy: 0.629246672615816
Energy: 0.583984745275005
Energy: 0.5986366983767649
Energy: 0.5286125087111886
Energy: 0.63109253745552
Energy: 0.6250308861870265
Energy: 0.5895459766169527
Energy: 0.5735666963483796
Energy: 0.5270835883980306
Energy: 0.6267455445871779
Energy: 0.6366386342957319
Energy: 0.5233317088817786
Energy: 0.5324475066143411
Energy: 0.5924288241509461
Energy: 0.6358672090485146
Energy: 0.5907017800750703
Energy: 0.5296082613809155
Energy: 0.5327387212879237
Energy: 0.6081700228690354
Energy: 0.659407438506244
Energy: 0.5265409674483419
Energy: 0.5271186353310399
Energy: 0.5347196873485056
Energy: 0.6408620990025652
Energy: 0.5887293201379955
Energy: 0.5283500757416696
Energy: 0.5243418952213169
Energy: 0.5330908311111721
Energy: 0.6530315177710917
Energy: 0.5905693883543173
Energy: 0.5867208699002946
Energy: 0.5251080976088487
Energy: 0.5249469840131402
Energy: 0.6051029227644258
Energy: 0.5875718167006959
Energy: 0.5281942641759132
Energy: 0.5251591794597404
Energy: 0.5459269242902628
Energy: 0.6364009364027354
Energy: 0.5967513644467431
Energy: 0.5653344548921393
Energy: 0.64673786662836
Energy: 0.5724499338541116
Energy: 0.5863800099642427
Energy: 0.5330373008344126
Energy: 0.5617998730108316
Energy: 0.6454922520470344
Energy: 0.5742618182742701
Energy: 0.575341218782116
Energy: 0.534818197939269
Energy: 0.5853833253052446
Energy: 0.5289619674921167
Energy: 0.5265658168395708
Energy: 0.5258061894548657
Energy: 0.5286396915878689
Energy: 0.5428927404810557
Energy: 0.5381747574900688
Energy: 0.5260499808868486
Energy: 0.5312488110434883
Energy: 0.5284835950861311
Energy: 0.5985867021568776
Energy: 0.603449418435191
Energy: 0.5466089880862325
Energy: 0.5298962975331503
Energy: 0.5277452347477958
Energy: 0.6310996998293655
Energy: 0.6124182992704109
Energy: 0.5461581000181607
Energy: 0.5305303952101553
Energy: 0.5256235150963918
Energy: 0.5938012995350137
Energy: 0.5854622752659878
Energy: 0.5375961900931405
Energy: 0.5189770892618788
Energy: 0.5860654704216958
Energy: 0.5944239626176223
Energy: 0.5810250408319172
Energy: 0.5348139164984218
Energy: 0.5721440718491854
Energy: 0.5855035374832018
Energy: 0.5934782281135959
Energy: 0.5932782210891983
Energy: 0.529384811873326
Energy: 0.5372202847000181
Energy: 0.5885049749698794
Energy: 0.5938481225031045
Energy: 0.5926121338985233
Energy: 0.5285774533576248
Energy: 0.5381676728380452
Energy: 0.587563617988673
Energy: 0.5352189939134905
Energy: 0.5833212167301728
Energy: 0.5730340510321167
Energy: 0.6057859238412794
Energy: 0.5817916567936666
Energy: 0.5360375037130245
Energy: 0.583414947018496
Energy: 0.5785961605771368
Energy: 0.5925936606899225
Energy: 0.578000780342124
Energy: 0.5674547785835148
Energy: 0.5552992715344504
Energy: 0.594943683579262
Energy: 0.6195567708160047
Energy: 0.5855482494154117
Energy: 0.5631747687715926
Energy: 0.5916246868390309
Energy: 0.5952059072518524
Energy: 0.6220911251344527
Energy: 0.5853322442035184
Energy: 0.6230281831272502
Energy: 0.5957304819117811
Energy: 0.5919538388296497
Energy: 0.5938484198431928
Energy: 0.5654520398157515
Energy: 0.6230881448728482
Energy: 0.5940250393570935
Energy: 0.5921929499410936
Energy: 0.594104905543988
Energy: 0.576929647541257
Energy: 0.5601023953906472
Energy: 0.5699396627115478
Energy: 0.6116229183172689
Energy: 0.6300321428427208
Energy: 0.5935258977621211
Energy: 0.5730870046079493
Energy: 0.5424794245999016
Energy: 0.6064730995877955
Energy: 0.6241609336298913
Energy: 0.5820372208290632
Energy: 0.6355794106425843
Energy: 0.6469988099645291
Energy: 0.6340058048611942
Energy: 0.5932677552563617
Energy: 0.5348872258092369
Energy: 0.6075972192049394
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Energy: 0.6342655590158743
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Energy: 0.5976580039576532
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Energy: 0.6090177824970727
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Energy: 0.5625156413614529
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Energy: 0.5762053319357893
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Energy: 0.5918480556829756
Energy: 0.5934656427489541
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Energy: 0.5951615683994269
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Energy: 0.616071925713219
Energy: 0.6184502529413551
Energy: 0.6383665215609594
Energy: 0.5287418302966607
Energy: 0.5331167436832659
Energy: 0.6194779124495056
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Energy: 0.6089005779422021
Energy: 0.5237011208236175
Energy: 0.5330027644031098
Energy: 0.6180560190632983
Energy: 0.6597913829743814
Energy: 0.52701845465006
Energy: 0.5275655197260724
Energy: 0.5324832989445467
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Energy: 0.5268168158499787
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Energy: 0.5868321991466626
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Energy: 0.5421829026908696
Energy: 0.649742531820375
Energy: 0.5365521932379833
Energy: 0.5257283105098427
Energy: 0.5285589638257784
Energy: 0.546370509975231
Energy: 0.6537893357853474
Energy: 0.5267166333142599
Energy: 0.5260304817872047
Energy: 0.5280426958486704
Energy: 0.5761760459972669
Energy: 0.6090700483965045
Energy: 0.5459187675769471
Energy: 0.5278468144804657
Energy: 0.5276745233488884
Energy: 0.6280666058351912
Energy: 0.6110245241006135
Energy: 0.5443504088637098
Energy: 0.5283930332995073
Energy: 0.5274499880006639
Energy: 0.5938167453947767
Energy: 0.5842578940409534
Energy: 0.5391163806395209
Energy: 0.5270985805769772
Energy: 0.5864305908898623
Energy: 0.5942404737541365
Energy: 0.5849584932211205
Energy: 0.540267846183514
Energy: 0.5171479615868984
Energy: 0.5862525547469939
Energy: 0.5707488033668161
Energy: 0.5188450893004892
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Energy: 0.5377980859963828
Energy: 0.5861057085003114
Energy: 0.5560739377277136
Energy: 0.5186872156228144
Energy: 0.563788052993987
Energy: 0.5392381052023864
Energy: 0.5861109430429431
Energy: 0.5329803973636353
Energy: 0.5848479044605166
Energy: 0.5392085398255844
Energy: 0.5815915959857116
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Energy: 0.5347415943984641
Energy: 0.583410029109356
Energy: 0.536569896917791
Energy: 0.563692228392299
Energy: 0.5781486827961807
Energy: 0.5755337237103598
Energy: 0.5544569754486723
Energy: 0.5921702032420317
Energy: 0.6263673088315124
Energy: 0.5805541494049795
Energy: 0.5753841957330094
Energy: 0.5550885752616757
Energy: 0.5919378355894671
Energy: 0.6255651355473362
Energy: 0.5783353765007062
Energy: 0.6095942538198472
Energy: 0.5942517696665753
Energy: 0.5922297904705668
Energy: 0.5997506708605242
Energy: 0.548731124261691
Energy: 0.6096609294092834
Energy: 0.5930722284270052
Energy: 0.5923134347351195
Energy: 0.5813545141886554
Energy: 0.5301713856692131
Energy: 0.5819886423249271
Energy: 0.6080888747127378
Energy: 0.6423625724264375
Energy: 0.6095496704482826
Energy: 0.5810876835639703
Energy: 0.5867868935342837
Energy: 0.5934505476525268
Energy: 0.6239325963792937
Energy: 0.6097518120108758
Energy: 0.5812706031891279
Energy: 0.6066398722968673
Energy: 0.6479510161667272
Energy: 0.6490104611736871
Energy: 0.6104096085217666
Energy: 0.5320118107500407
Energy: 0.6068034795949409
Energy: 0.6478400637403878
Energy: 0.648159061487229
Energy: 0.6098858955888241
Energy: 0.5326764783002286
Energy: 0.531404706951091
Energy: 0.6114076404632908
Energy: 0.5246608766697357
Energy: 0.5299960866725615
Energy: 0.5354285968005477
Energy: 0.5321928680619651
Energy: 0.611331530494687
Energy: 0.52682284647714
Energy: 0.529745533079068
Energy: 0.5355153730360187
Energy: 0.5304380021444883
Energy: 0.597996171995891
Energy: 0.609940761055267
Energy: 0.5281789990030281
Energy: 0.5241343150913261
Energy: 0.5390778818777399
Energy: 0.5866690297276849
Energy: 0.5697261520122074
Energy: 0.5242555346457745
Energy: 0.5241443567676197
Energy: 0.5928376809581268
Energy: 0.5799842667723462
Energy: 0.5244457849711616
Energy: 0.5309093208787621
Energy: 0.5732201494805516
Energy: 0.5889208849735013
Energy: 0.5822569672720369
Energy: 0.5217047496352815
Energy: 0.5355918677532757
Energy: 0.5816026465060309
Energy: 0.5220920290677588
Energy: 0.5246800863879019
Energy: 0.571263662021803
Energy: 0.6456398974210723
Energy: 0.5669227423911724
Energy: 0.5255564879878811
Energy: 0.5265753008713954
Energy: 0.5825720669025225
Energy: 0.6465103680721516
Energy: 0.5785088237315116
Energy: 0.534785960375126
Energy: 0.5312092459803952
Energy: 0.5239162755228339
Energy: 0.6295000074714009
Energy: 0.5270705348264356
Energy: 0.5336871007185126
Energy: 0.5327998950997795
Energy: 0.5257975868411704
Energy: 0.5797976791574657
Energy: 0.526974281912151
Energy: 0.5353700050658319
Energy: 0.5279730755047504
Energy: 0.5987285840952101
Energy: 0.5943351960429452
Energy: 0.6185565556572219
Energy: 0.5355534872957866
Energy: 0.5875259454165312
Energy: 0.597763533369184
Energy: 0.578204684902671
Energy: 0.6279014084703683
Energy: 0.538003517583086
Energy: 0.6282585535391279
Energy: 0.5970666720880985
Energy: 0.5594545543914016
Energy: 0.5438575177201335
Energy: 0.5284902175486874
Energy: 0.5772702528394992
Energy: 0.5786118571396627
Energy: 0.5618360621738587
Energy: 0.5527258532544945

minimum gb energy = 0.511867520620419 eV
minimum distance =  2.56110419367156 Angstroms
sigma value = 437


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

Energy: 0.7086995290731977
Energy: 0.560825731936547
Energy: 0.5778545689339597
Energy: 0.5602737520090032
Energy: 0.511756009121694
Energy: 0.7083908902948368
Energy: 0.5555433953635659
Energy: 0.5483589897546928
Energy: 0.5603772899702758
Energy: 0.5945528125234963
Energy: 0.5602565752828929
Energy: 0.6185438006041011
Energy: 0.5920158510485389
Energy: 0.5957544125404676
Energy: 0.6216082693887856
Energy: 0.5636511715559201
Energy: 0.6187172381515808
Energy: 0.5923806635009193
Energy: 0.6221868041750143
Energy: 0.591106902147886
Energy: 0.5651420731628836
Energy: 0.5822518485796254
Energy: 0.5607197446108616
Energy: 0.5260307773053845
Energy: 0.5560069381046523
Energy: 0.5654137443244204
Energy: 0.6291411463716572
Energy: 0.5605454240494646
Energy: 0.5268504330939544
Energy: 0.5558958562460851
Energy: 0.5234396108671485
Energy: 0.5327039538987188
Energy: 0.5612294275946732
Energy: 0.5830981685110233
Energy: 0.5552772620273169
Energy: 0.5259437476000454
Energy: 0.5238131490366117
Energy: 0.5548336963314754
Energy: 0.6010225134066604
Energy: 0.5515463954332107
Energy: 0.5845897282536233
Energy: 0.6170404001479759
Energy: 0.5230015198047606
Energy: 0.5346910429431381
Energy: 0.5803838462898538
Energy: 0.5857564919076564
Energy: 0.6185172760533326
Energy: 0.5230097083984293
Energy: 0.5541385021959215
Energy: 0.5190949522937472
Energy: 0.5656917058423703
Energy: 0.5261928178457006
Energy: 0.5546616462114996
Energy: 0.5913003939675169
Energy: 0.6481039857764052
Energy: 0.566056639083319
Energy: 0.5241858579780773
Energy: 0.5546795406613261
Energy: 0.5926919637061868
Energy: 0.6497393950093008
Energy: 0.5653140454325861
Energy: 0.5571018121837252
Energy: 0.5569849315048152
Energy: 0.5981908152312129
Energy: 0.6183522675831288
Energy: 0.5638066330934457
Energy: 0.5565870387402935
Energy: 0.5573410209177297
Energy: 0.6020643819092799
Energy: 0.6186276530541909
Energy: 0.5768486456387494
Energy: 0.559826769261534
Energy: 0.5226046147727574
Energy: 0.62261816742467
Energy: 0.6230474858524615
Energy: 0.5767083085283233
Energy: 0.5578761960700124
Energy: 0.523952039398713
Energy: 0.6233050452404969
Energy: 0.6238393410315797
Energy: 0.5304330852491873
Energy: 0.6242581798268271
Energy: 0.6141322394962277
Energy: 0.5602896179768707
Energy: 0.5252832976787898
Energy: 0.5311343335358732
Energy: 0.6237198114581342
Energy: 0.6207635705144454
Energy: 0.5601413638755622
Energy: 0.5234849868164958
Energy: 0.6116205360971599
Energy: 0.6441268146312346
Energy: 0.5244733930875679
Energy: 0.5134405997334459
Energy: 0.6185549454047995
Energy: 0.5966259048765568
Energy: 0.5236488875922666
Energy: 0.5254023705219885
Energy: 0.6786275883326559
Energy: 0.6183635208855494
Energy: 0.5118074732549258
Energy: 0.5193493970193045
Energy: 0.6102373081518024
Energy: 0.650275802131414
Energy: 0.5128112170077785
Energy: 0.5119660721838099
Energy: 0.5192050166685955
Energy: 0.6099879780250985
Energy: 0.6519935688776882
Energy: 0.5251258124224202
Energy: 0.5193824413902377
Energy: 0.5191702162835806
Energy: 0.5225801592988637
Energy: 0.5543433556670384
Energy: 0.5235740345144646
Energy: 0.519427644922768
Energy: 0.5233560995396355
Energy: 0.5223832461309899
Energy: 0.6106193145157429
Energy: 0.5242579263062034
Energy: 0.5123782752951994
Energy: 0.52289819577261
Energy: 0.6211574008347421
Energy: 0.6218013703764901
Energy: 0.6107866187019584
Energy: 0.5122324599791407
Energy: 0.5218486171107567
Energy: 0.6218181399960255
Energy: 0.6213494052599831
Energy: 0.6102212901036558
Energy: 0.5989769591079671
Energy: 0.6113579260881894
Energy: 0.5538696892067132
Energy: 0.5229991405472272
Energy: 0.5176071261601883
Energy: 0.5981267969076541
Energy: 0.5571251579168089
Energy: 0.5837952562562879
Energy: 0.5194644667566228
Energy: 0.5683611791898993

minimum gb energy = 0.511756009121694 eV
minimum distance =  2.55633859907882 Angstroms
sigma value = 33