Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0320824623107905
cohesive_energy=3.3602642540255827
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19]
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: 0.010416751097206151
Energy: 0.010822258653911223
Energy: 0.010808920330061146
Energy: 0.01197856242591165
Energy: 0.01197856242591165
Energy: 0.010834728255203234
Energy: 0.010822258655367708
Energy: 0.010822258655367708
Energy: 0.010822258655367708
Energy: 0.010822258655367708
Energy: 0.010822258655367708
Energy: 0.010822258655367708
Energy: 0.010808920330061146
Energy: 0.010808920330061146
Energy: 0.010808920330061146
Energy: 0.010821114510364629
Energy: 0.010821114510364629
Energy: 0.010821114510364629
Energy: 0.011978562425407482
Energy: 0.011978562425407482
Energy: 0.010821114510616714
Energy: 0.010591765017503437
Energy: 0.010591765017503437
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010810169770531185
Energy: 0.010834728254951149
Energy: 0.010834728254951149
Energy: 0.010834728254951149
Energy: 0.010810169769802943
Energy: 0.010810169769802943
Energy: 0.010877014763624257

minimum gb energy = 0.010416751097206151 eV
minimum distance =  2.84472074104481 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.6422774465584591
Energy: 0.4764637005609548
Energy: 0.4213294371494965
Energy: 0.4350982352366526
Energy: 0.45601650747398625
Energy: 0.41891584268957854
Energy: 0.6416636706228366
Energy: 0.4696464456182122
Energy: 0.45064356407753214
Energy: 0.42681600499652
Energy: 0.4693446132730077
Energy: 0.45018730050329686
Energy: 0.6710598908529939
Energy: 0.42443870279605317
Energy: 0.4114487307978606
Energy: 0.4028963575975361
Energy: 0.4476054932195893
Energy: 0.410957181821749
Energy: 0.6727224993580772
Energy: 0.4107786060168248
Energy: 0.42426431719443464
Energy: 0.404960160583037
Energy: 0.4105803592667768
Energy: 0.4028297764955999
Energy: 0.6953637289254022
Energy: 0.4508138656681799
Energy: 0.44544686693014335
Energy: 0.4301374469361233
Energy: 0.45087638141310427
Energy: 0.44572161035394187
Energy: 0.5916274743431625
Energy: 0.43420255634666555
Energy: 0.43306226722003177
Energy: 0.4305888015086784
Energy: 0.44618126465311
Energy: 0.4311744489179782
Energy: 0.5906982402399115
Energy: 0.4500813620361361
Energy: 0.4300130579039659
Energy: 0.430853092390898
Energy: 0.4439101898913788
Energy: 0.43010195964548176
Energy: 0.5640905989355364
Energy: 0.44203475745251875
Energy: 0.44283306822159335
Energy: 0.4357132617363029
Energy: 0.44220913583689436
Energy: 0.43047620416055393
Energy: 0.4886105592965753
Energy: 0.4311179984067145
Energy: 0.43104997840973225
Energy: 0.4460969202134026
Energy: 0.431718313338294
Energy: 0.432253567548091
Energy: 0.4881244701134469
Energy: 0.43881435483029624
Energy: 0.4454873688838251
Energy: 0.4459879836011188
Energy: 0.43772044566377794
Energy: 0.4467695154320833
Energy: 0.5464645238673665
Energy: 0.4179790158318368
Energy: 0.439950105341406
Energy: 0.5029568220044925
Energy: 0.41823437909012073
Energy: 0.42590767147586905
Energy: 0.4700436246885092
Energy: 0.4028963261274189
Energy: 0.4109184399691765
Energy: 0.47008485488585633
Energy: 0.40814442300727655
Energy: 0.4111711348592144
Energy: 0.4681259362426655
Energy: 0.43380438773393787
Energy: 0.43647713584780135
Energy: 0.4679655418028142
Energy: 0.4183675823590046
Energy: 0.450242256882457
Energy: 0.5207612990206892
Energy: 0.40300044800423246
Energy: 0.4272811822266939
Energy: 0.4523930370211569
Energy: 0.4033194627059916
Energy: 0.41145783648478945
Energy: 0.4704774638408341
Energy: 0.45005300115730346
Energy: 0.41669909392918175
Energy: 0.4532045091050382
Energy: 0.4420007393651622
Energy: 0.45681922729193475
Energy: 0.47708288170671287
Energy: 0.4028256868715367
Energy: 0.4029816503789888
Energy: 0.46101252435664225
Energy: 0.40274635739330317
Energy: 0.40315145225767357
Energy: 0.548044158623149
Energy: 0.43007903803701475
Energy: 0.42959865068714065
Energy: 0.43345470728135266
Energy: 0.42990374931847597
Energy: 0.4027744704977436
Energy: 0.5290799376955211
Energy: 0.45048449419436337
Energy: 0.4484370402499226
Energy: 0.44485261282334815
Energy: 0.4406007472562398
Energy: 0.454031968358674
Energy: 0.5287085349827928
Energy: 0.45114201514003904
Energy: 0.451465986495905
Energy: 0.4453590768589843
Energy: 0.4450134771516439
Energy: 0.4458165335408576
Energy: 0.6828343043351752
Energy: 0.4522553571623199
Energy: 0.4503463329825361
Energy: 0.44441483917231134
Energy: 0.44514010334492266
Energy: 0.4453344718164929
Energy: 0.6291149422289057
Energy: 0.4271447498000126
Energy: 0.4166234810709127
Energy: 0.41736265099751707
Energy: 0.46166071371404116
Energy: 0.41645965489330167
Energy: 0.628977360980531
Energy: 0.42033284653481306
Energy: 0.4032450521306545
Energy: 0.4150801743348356
Energy: 0.45801478045156113
Energy: 0.40301068250066363
Energy: 0.6414990142479227
Energy: 0.4549694961002134
Energy: 0.4557334918247158
Energy: 0.4103261752223286
Energy: 0.4533044114518838
Energy: 0.45587485260281146

minimum gb energy = 0.40274635739330317 eV
minimum distance =  2.61951320906107 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.7637273938577347
Energy: 0.43064098896019143
Energy: 0.41099332950612105
Energy: 0.41102288538670545
Energy: 0.4718117424071892
Energy: 0.4298599517138122
Energy: 0.6299378194405203
Energy: 0.46520773937480764
Energy: 0.39784082519283726
Energy: 0.3803121536045692
Energy: 0.45291808595196165
Energy: 0.40876144634242734
Energy: 0.6255885080134321
Energy: 0.4708883938394351
Energy: 0.4564666413529446
Energy: 0.430810092105635
Energy: 0.4621270712242622
Energy: 0.4348455967583917
Energy: 0.6247485252424317
Energy: 0.4864524676518412
Energy: 0.49473891852622687
Energy: 0.42536221575078903
Energy: 0.49211119820205285
Energy: 0.42551920676479704
Energy: 0.44475625028615684
Energy: 0.5209119631683481
Energy: 0.47229640580984844
Energy: 0.41715161706908854
Energy: 0.47030385230388694
Energy: 0.51754920530278
Energy: 0.6314482470773075
Energy: 0.47026892378202956
Energy: 0.4661495375764988
Energy: 0.47253322946917753
Energy: 0.5117586661248535
Energy: 0.4696274885941836
Energy: 0.6374814853677342
Energy: 0.47630753936934483
Energy: 0.47472719396681917
Energy: 0.44903342889397546
Energy: 0.49066846029419275
Energy: 0.44739055825648016
Energy: 0.5687189417158072
Energy: 0.47484516797210197
Energy: 0.4752805099549123
Energy: 0.5113324291754991
Energy: 0.47463129465980863
Energy: 0.47579288290784466
Energy: 0.5082639730776045
Energy: 0.4825908436181177
Energy: 0.4567120361380551
Energy: 0.4778541005735485
Energy: 0.4742931826138365
Energy: 0.46094547820930726
Energy: 0.5074071265080867
Energy: 0.48378412143066724
Energy: 0.48718044725813425
Energy: 0.4896620080598687
Energy: 0.4677382455141058
Energy: 0.47532601416640025
Energy: 0.5226027708607156
Energy: 0.38096517647126954
Energy: 0.38096850943559857
Energy: 0.48002462619901964
Energy: 0.363402448098391
Energy: 0.3640753558759389
Energy: 0.48811677777707657
Energy: 0.38074348915462836
Energy: 0.42826138544011383
Energy: 0.4743352078585123
Energy: 0.3640609612601974
Energy: 0.43049022786671726
Energy: 0.48398887585435935
Energy: 0.45534420185646285
Energy: 0.45548780608440365
Energy: 0.48411135551551615
Energy: 0.46065869038786567
Energy: 0.4699728920387247
Energy: 0.5518865113629507
Energy: 0.42536449943999266
Energy: 0.42520378979582096
Energy: 0.525652410533287
Energy: 0.42595057184116863
Energy: 0.45083994599544086
Energy: 0.5197542647431024
Energy: 0.4463998071022515
Energy: 0.5154954164169655
Energy: 0.48547657377007475
Energy: 0.47213460260340434
Energy: 0.5153714531428674
Energy: 0.5202171823262867
Energy: 0.4643183190427971
Energy: 0.4663941915727014
Energy: 0.5100317096236066
Energy: 0.4656303909787737
Energy: 0.4663666716659173
Energy: 0.5011881435755253
Energy: 0.4783074015255194
Energy: 0.47664752304518226
Energy: 0.5230814741943659
Energy: 0.4790217388393761
Energy: 0.4789502565547481
Energy: 0.5411714574274772
Energy: 0.49880187780015656
Energy: 0.48370410552868326
Energy: 0.4746824360189126
Energy: 0.4905719720101264
Energy: 0.4745985043555972
Energy: 0.5343589589496489
Energy: 0.5031903846045472
Energy: 0.5067504095894574
Energy: 0.4748009717040353
Energy: 0.5032124692766954
Energy: 0.47382453564083477
Energy: 0.6604478756517346
Energy: 0.5040232266575113
Energy: 0.502803597124496
Energy: 0.505569959024722
Energy: 0.5041586326273478
Energy: 0.5023574296378001
Energy: 0.6755219537515978
Energy: 0.45900298991491784
Energy: 0.36405862105495723
Energy: 0.3636398146465109
Energy: 0.4597664069395721
Energy: 0.3637540677058395
Energy: 0.6743572335815088
Energy: 0.45976334794235835
Energy: 0.46014555112015093
Energy: 0.3638254791390335
Energy: 0.5022592078050465
Energy: 0.46130823928314774
Energy: 0.6573156677830169
Energy: 0.5024030120151382
Energy: 0.5024610599825753
Energy: 0.482157418343515
Energy: 0.5021113784605785
Energy: 0.4814029196067818
Energy: 0.6353377033237723
Energy: 0.5474003199039712
Energy: 0.5561884214665819
Energy: 0.4164222375015479
Energy: 0.5430001655814555
Energy: 0.4510736244298961
Energy: 0.6508888439068918
Energy: 0.519311160705036
Energy: 0.5196393432739383
Energy: 0.4366595907581796
Energy: 0.5181048447013769
Energy: 0.5234851134051643
Energy: 0.6326115927115549
Energy: 0.4672952082548688
Energy: 0.46529231666616666
Energy: 0.46436423353268036
Energy: 0.509035415529652
Energy: 0.46489608698118234
Energy: 0.6353780940115347
Energy: 0.4382030276901638
Energy: 0.43804611390785825
Energy: 0.4788253200883995
Energy: 0.47196539931767345
Energy: 0.48047293036885147
Energy: 0.6611673581537646
Energy: 0.47469452417090685
Energy: 0.4744606869810247
Energy: 0.49439460486011355
Energy: 0.47481067893773377
Energy: 0.4877741512832529
Energy: 0.49909331278495717
Energy: 0.4747535103644054
Energy: 0.4745804613180599
Energy: 0.4892417085043184
Energy: 0.47504987300349744
Energy: 0.4556382989308018
Energy: 0.5113467856235591
Energy: 0.47749615153174646
Energy: 0.46979655182849767
Energy: 0.48650712927281986
Energy: 0.5087363899368441
Energy: 0.4871990596524857
Energy: 0.4856121570882429
Energy: 0.3635743697640354
Energy: 0.3635142637989423
Energy: 0.4435866002000482
Energy: 0.3803841632883038
Energy: 0.3802499231846024
Energy: 0.488683894255594
Energy: 0.3635318046279871
Energy: 0.3637340688951954
Energy: 0.4858021993177545
Energy: 0.38048262331299754
Energy: 0.4317658868068236
Energy: 0.4925634238020486
Energy: 0.4189451315395007
Energy: 0.46243523527699687
Energy: 0.4933194433976197
Energy: 0.4539008730647207
Energy: 0.4844004412135547
Energy: 0.4764225412869216
Energy: 0.42503496075950387
Energy: 0.4258604008264492
Energy: 0.47657022409729066
Energy: 0.42506238018914
Energy: 0.43020226271691
Energy: 0.5232219458137309
Energy: 0.43752502049021746
Energy: 0.4767048953627934
Energy: 0.5184458861125399
Energy: 0.4773965882822557
Energy: 0.5052452914107295
Energy: 0.5212424934773912
Energy: 0.4465056230432741
Energy: 0.46773917833314194
Energy: 0.5114369740982642
Energy: 0.47009679280223204
Energy: 0.4682391075042099
Energy: 0.5176013320326645
Energy: 0.4818676724733174
Energy: 0.4154587982708566
Energy: 0.42876548071295584
Energy: 0.4174498963489596
Energy: 0.4806973335438784
Energy: 0.5364912803322198
Energy: 0.4898936181490327
Energy: 0.4700211050796791
Energy: 0.47487595937382926
Energy: 0.5106944978828329
Energy: 0.49167773968541195
Energy: 0.5401594518809414
Energy: 0.4697750375933387
Energy: 0.44210904092861847
Energy: 0.47428738718298197
Energy: 0.4603150162724698
Energy: 0.47490661741870893
Energy: 0.5288701328565075
Energy: 0.4659218214397098
Energy: 0.45366345402108343
Energy: 0.4397152223976194
Energy: 0.456632379335893
Energy: 0.46681565442729994
Energy: 0.7284882494848628
Energy: 0.4025772933140541
Energy: 0.3634278768315289
Energy: 0.3636399107115895
Energy: 0.4023378874033222
Energy: 0.3967521745671108

minimum gb energy = 0.363402448098391 eV
minimum distance =  2.61619109747709 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.6649090608716577
Energy: 0.46703502451868395
Energy: 0.46711807047388226
Energy: 0.42218508126194293
Energy: 0.43385006327937364
Energy: 0.40479945629156955
Energy: 0.6109069086761519
Energy: 0.4657866375147289
Energy: 0.4646189608772805
Energy: 0.49843401484273975
Energy: 0.466094174614638
Energy: 0.43402655811119933
Energy: 0.5973953669804598
Energy: 0.46332364253735825
Energy: 0.4033693031562425
Energy: 0.3737868723469203
Energy: 0.463557751900955
Energy: 0.39515007210194336
Energy: 0.5971283371547732
Energy: 0.39772280187486136
Energy: 0.39786714950383567
Energy: 0.42600104631872737
Energy: 0.4158920970293994
Energy: 0.3713767864858788
Energy: 0.6328049788388143
Energy: 0.45525928419556694
Energy: 0.4552511148127801
Energy: 0.4109604114604914
Energy: 0.4539140017521505
Energy: 0.45501486962325266
Energy: 0.51246911118314
Energy: 0.45510604140687705
Energy: 0.4372380805482621
Energy: 0.4540044062052459
Energy: 0.45499319976183367
Energy: 0.4302699562774272
Energy: 0.5134614302723118
Energy: 0.43825392103843774
Energy: 0.4544091461453029
Energy: 0.4539616743073821
Energy: 0.40999952002331025
Energy: 0.45434860718747916
Energy: 0.5357357899109795
Energy: 0.37677210685024803
Energy: 0.3765561021555055
Energy: 0.4434928322074485
Energy: 0.37686633982675877
Energy: 0.3766478927589811
Energy: 0.46348630928570006
Energy: 0.37674215998314703
Energy: 0.37679674114380424
Energy: 0.43180630254695407
Energy: 0.37607100465846016
Energy: 0.39790009235140006
Energy: 0.46240815912079225
Energy: 0.3886282206261879
Energy: 0.4336371128496275
Energy: 0.46240771036099587
Energy: 0.38373096523947814
Energy: 0.46249821878324116
Energy: 0.4659817070240246
Energy: 0.3966381471035716
Energy: 0.39674139023981086
Energy: 0.46532497898132075
Energy: 0.39629130967534304
Energy: 0.48621568208949134
Energy: 0.4663744032294265
Energy: 0.3887519841335757
Energy: 0.4339381183936476
Energy: 0.45804777178034517
Energy: 0.40216465945841945
Energy: 0.45828978071483484
Energy: 0.46620126678130547
Energy: 0.4032881876905321
Energy: 0.40350120146063695
Energy: 0.4580906477197997
Energy: 0.40302076504195466
Energy: 0.42559688433889153
Energy: 0.4666320277184323
Energy: 0.4123924958617177
Energy: 0.41231694340389125
Energy: 0.42499217787044496
Energy: 0.39637628828798005
Energy: 0.4103926323675028
Energy: 0.5439992076606291
Energy: 0.4155029449203934
Energy: 0.4137842474587405
Energy: 0.44303239087777546
Energy: 0.4561085277245433
Energy: 0.3956340655447395
Energy: 0.5443200762614101
Energy: 0.42514067791556376
Energy: 0.4092159201737328
Energy: 0.44112609917205936
Energy: 0.4246927941729568
Energy: 0.4403180041857706
Energy: 0.6157824048346956
Energy: 0.4585211682854759
Energy: 0.4585260489820805
Energy: 0.40384313187805587
Energy: 0.4595677416698427
Energy: 0.45840036233753223
Energy: 0.6483853905533875
Energy: 0.43951194637673235
Energy: 0.41463139643075014
Energy: 0.37605002178829033
Energy: 0.43344547683066725
Energy: 0.41467868057863483

minimum gb energy = 0.3713767864858788 eV
minimum distance =  2.66380045920703 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.5548720524296392
Energy: 0.3840680715255883
Energy: 0.3841262836626131
Energy: 0.38518828059811944
Energy: 0.4098784519159311
Energy: 0.38421004689299865
Energy: 0.5470690579044158
Energy: 0.4095561710940501
Energy: 0.40958370101624825
Energy: 0.37402458945313455
Energy: 0.4096600423724295
Energy: 0.39701153841599557
Energy: 0.5901469955272851
Energy: 0.4098792417414095
Energy: 0.40981656223866
Energy: 0.37534756222582955
Energy: 0.40964713710409284
Energy: 0.4099266105180297
Energy: 0.4747967040517073
Energy: 0.4101543132973784
Energy: 0.4100015598317769
Energy: 0.40814995538951243
Energy: 0.40965089510952235
Energy: 0.40988153563871194
Energy: 0.59107787158396
Energy: 0.41143306580760686
Energy: 0.4267471298049139
Energy: 0.4108582039802976
Energy: 0.41073052298395085
Energy: 0.42680914824559035
Energy: 0.47633809249053327
Energy: 0.3980918778865915
Energy: 0.409609467494463
Energy: 0.41122780686183913
Energy: 0.3976941128937756
Energy: 0.4102968017231434
Energy: 0.4751601426487888
Energy: 0.41028868029440263
Energy: 0.4102647481547466
Energy: 0.4112041855622262
Energy: 0.38680852193907755
Energy: 0.4107513197499275
Energy: 0.47194926268146653
Energy: 0.35808077182491876
Energy: 0.357960897392734
Energy: 0.3966114980815236
Energy: 0.3581149800894192
Energy: 0.3579630561181168
Energy: 0.409561007882272
Energy: 0.35777579246373264
Energy: 0.3580821899101969
Energy: 0.4095616782243029
Energy: 0.3581056604920909
Energy: 0.35792879574985975
Energy: 0.4107741612379979
Energy: 0.3968985655414468
Energy: 0.40984637700912757
Energy: 0.40973461858195165
Energy: 0.37383450517634365
Energy: 0.40980713161425386
Energy: 0.4102155235143513
Energy: 0.4080526926954146
Energy: 0.4082860187372103
Energy: 0.4103733679200143
Energy: 0.4083069666642121
Energy: 0.39699582479657863
Energy: 0.4751850682304825
Energy: 0.41025707088453434
Energy: 0.41079182552064797
Energy: 0.4111843782716228
Energy: 0.38478401768370896
Energy: 0.39646294562107404
Energy: 0.39803745230939913
Energy: 0.4101103108952305
Energy: 0.3857284435094003
Energy: 0.399473833653627
Energy: 0.41048286933879397
Energy: 0.4106205603421743
Energy: 0.4749201834971137
Energy: 0.4112860629819002
Energy: 0.411112348739063
Energy: 0.4104344908996532
Energy: 0.411164992305694
Energy: 0.4107433898703057
Energy: 0.5469385256839001
Energy: 0.39684378300653445
Energy: 0.39668280101102715
Energy: 0.35815455020018994
Energy: 0.4119117364198806
Energy: 0.3580379449258141
Energy: 0.5472204762187677
Energy: 0.40967833119854513
Energy: 0.3581471066590018
Energy: 0.35848470968131446
Energy: 0.40973556374280073
Energy: 0.35804762032677817
Energy: 0.590417674890765
Energy: 0.4096669328990909
Energy: 0.40963497759947687
Energy: 0.3751116852430946
Energy: 0.4101489944403706
Energy: 0.4099045362131368
Energy: 0.475780973391189
Energy: 0.4100673962817848
Energy: 0.4100403336933754
Energy: 0.4081635310947079
Energy: 0.40994258266467193
Energy: 0.4100486469239587
Energy: 0.47447480058854136
Energy: 0.4100823074364698
Energy: 0.40991213725228015
Energy: 0.40823835732674446
Energy: 0.4097803999639207
Energy: 0.40991196410043756
Energy: 0.4747484072597347
Energy: 0.39764947628984165
Energy: 0.4260005653582454
Energy: 0.4106332972892409
Energy: 0.3975933775253555
Energy: 0.4264640350301886
Energy: 0.4746346696722982
Energy: 0.38574681471573485
Energy: 0.411030439262004
Energy: 0.4108684270223166
Energy: 0.410509149725041
Energy: 0.4106929298438611
Energy: 0.4745643578558355
Energy: 0.37359422503174655
Energy: 0.4110402459274748
Energy: 0.4106366740289952
Energy: 0.3747497922343783
Energy: 0.4106095828814179
Energy: 0.47231218396665214
Energy: 0.3586825576088801
Energy: 0.35808376292121863
Energy: 0.4723087047500688
Energy: 0.3583778449155195
Energy: 0.3841400609085471
Energy: 0.4095948066823312
Energy: 0.37486005450412757
Energy: 0.39677035120899634
Energy: 0.40969810707805054
Energy: 0.3579051372161825
Energy: 0.4098636073984421
Energy: 0.4096550980501505
Energy: 0.37364880995750394
Energy: 0.40978493363114904
Energy: 0.4096000663201065
Energy: 0.37442083772866297
Energy: 0.4096632676282522
Energy: 0.4726607806649861
Energy: 0.408844677381055
Energy: 0.4093726703567829
Energy: 0.4098928868082157
Energy: 0.4080224056667067
Energy: 0.40998621544612857
Energy: 0.4750248138693008
Energy: 0.4111278777773771
Energy: 0.41050791274584886
Energy: 0.41088910967357395
Energy: 0.41109973986027754
Energy: 0.42704850534529915
Energy: 0.3976641943160426
Energy: 0.41237720347438833
Energy: 0.41064582222027973
Energy: 0.39763496173797963
Energy: 0.4107274169114384
Energy: 0.40961725792490594
Energy: 0.4748978410379608
Energy: 0.4106867701344472
Energy: 0.4110326234441867
Energy: 0.3867856789346882
Energy: 0.4105974463642607
Energy: 0.41030495526142674
Energy: 0.5471717767397656
Energy: 0.3964881911629971
Energy: 0.3580230695609765
Energy: 0.35820974558637353
Energy: 0.39654649493505784
Energy: 0.3578263926524841

minimum gb energy = 0.35777579246373264 eV
minimum distance =  2.70520467616747 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.48103693959528865
Energy: 0.4826055485031849
Energy: 0.4737791946509158
Energy: 0.33208634150421856
Energy: 0.4350769721923038
Energy: 0.5613085281140086
Energy: 0.7193138961828652
Energy: 0.3998195155312262
Energy: 0.40000156248438457
Energy: 0.3612776807378808
Energy: 0.39983814654214356
Energy: 0.4028922815342265
Energy: 0.6088053986184189
Energy: 0.40240379296654893
Energy: 0.4002464688054997
Energy: 0.36072417175861066
Energy: 0.4022735298398438
Energy: 0.40060842393245816
Energy: 0.5587217199913606
Energy: 0.4011551900380365
Energy: 0.37561920766713947
Energy: 0.3604602390808101
Energy: 0.40189120808580103
Energy: 0.3758001131789407
Energy: 0.47920370845683763
Energy: 0.3190254598307448
Energy: 0.36311450329894235
Energy: 0.37559423735567066
Energy: 0.3189691489928489
Energy: 0.36260473111839175
Energy: 0.4000703229394131
Energy: 0.3187346061643745
Energy: 0.3188734212379549
Energy: 0.4002776888052721
Energy: 0.31948001568206735
Energy: 0.3190192619623041
Energy: 0.40218003841130734
Energy: 0.36302825343810624
Energy: 0.3762955768365257
Energy: 0.40203711467032494
Energy: 0.360698421466176
Energy: 0.39999786655255665
Energy: 0.40049809324137037
Energy: 0.3749867506508516
Energy: 0.37552821146896526
Energy: 0.40057013442931316
Energy: 0.3596530292561869
Energy: 0.3754627119703397
Energy: 0.4295053946896875
Energy: 0.36178536665434985
Energy: 0.3604275130643723
Energy: 0.40048318596298554
Energy: 0.3600313555955773
Energy: 0.38940865451369416
Energy: 0.4309331472716013
Energy: 0.36993455123854496
Energy: 0.3377875672465238
Energy: 0.37014017537224575
Energy: 0.371353032115304
Energy: 0.3691096868033061
Energy: 0.42957377042704786
Energy: 0.3704988155336554
Energy: 0.37089549017776385
Energy: 0.3702100760410021
Energy: 0.36970132252666527
Energy: 0.37172669300762046
Energy: 0.6159481319409397
Energy: 0.3695565526669964
Energy: 0.3701107389561054
Energy: 0.3613177096050963
Energy: 0.37057778792290846
Energy: 0.3893033495349762

minimum gb energy = 0.3187346061643745 eV
minimum distance =  2.66970316051616 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.8117233411802729
Energy: 0.41940141665134506
Energy: 0.4222471072731522
Energy: 0.4223195307963945
Energy: 0.3435391903279427
Energy: 0.4227913765225749
Energy: 0.5680757792134817
Energy: 0.3431385332152493
Energy: 0.34297997388535667
Energy: 0.3609899262839098
Energy: 0.3437841616487493
Energy: 0.36632402045499995
Energy: 0.4814936795622137
Energy: 0.3467596027712742
Energy: 0.3439925400045957
Energy: 0.3599781852550915
Energy: 0.3447331524564987
Energy: 0.35663670424550836
Energy: 0.4814852854823406
Energy: 0.3353630327227601
Energy: 0.3181473195671085
Energy: 0.3587982323258383
Energy: 0.3609320507091509
Energy: 0.3652437069535027
Energy: 0.5363184246222374
Energy: 0.35281412095422865
Energy: 0.3440649442991722
Energy: 0.3473886639117111
Energy: 0.3614454153639615
Energy: 0.3377509188577988
Energy: 0.346999339304009
Energy: 0.36303936931772135
Energy: 0.36174440210403325
Energy: 0.3471023036219066
Energy: 0.35934299294648864
Energy: 0.3449142361852765
Energy: 0.34827468165968994
Energy: 0.33563502141331253
Energy: 0.3598138125582388
Energy: 0.3484888958515602
Energy: 0.33771293984921064
Energy: 0.34706566761880575
Energy: 0.3474528911930646
Energy: 0.35949723061183453
Energy: 0.3540774263539943
Energy: 0.34724776648953626
Energy: 0.35838589985737795
Energy: 0.34739145486732503
Energy: 0.5531481512009462
Energy: 0.3592444617448095
Energy: 0.3371753135145115
Energy: 0.3530864959343398
Energy: 0.359392011502813
Energy: 0.33634376498939345
Energy: 0.5620345189290682
Energy: 0.34453065458065085
Energy: 0.3659272489683724
Energy: 0.35792611802378865
Energy: 0.35205174716793286
Energy: 0.32913859032839626
Energy: 0.5601205296410192
Energy: 0.3474275035580153
Energy: 0.3473135341829712
Energy: 0.35931463934400754
Energy: 0.34741432070549244
Energy: 0.37557138446831384
Energy: 0.5650087338835812
Energy: 0.34788700267205386
Energy: 0.3475892051414431
Energy: 0.355595035699417
Energy: 0.34801730584981644
Energy: 0.3707806221270526
Energy: 0.6310516210488653
Energy: 0.3484216479024071
Energy: 0.4164817307216839
Energy: 0.3452358145877168
Energy: 0.3480959371997846
Energy: 0.4163109812326955
Energy: 0.5652855310371424
Energy: 0.3625586846180981
Energy: 0.3533834918055923
Energy: 0.35532185527134125
Energy: 0.3636843616170437
Energy: 0.35661907664080633
Energy: 0.34418065703469036
Energy: 0.35912143933815527
Energy: 0.3596528810340574
Energy: 0.34408111302053596
Energy: 0.360207435875572
Energy: 0.3700520229655057
Energy: 0.3444356423808774
Energy: 0.3254004163152277
Energy: 0.3356100898729905
Energy: 0.3445970876404039
Energy: 0.3577877216718211
Energy: 0.34341461895655123
Energy: 0.3438922861315431
Energy: 0.3452919006337815
Energy: 0.33775759168589414
Energy: 0.3436804264413239
Energy: 0.3544269254120499
Energy: 0.34354271238679784
Energy: 0.43622958907670284
Energy: 0.35482220302583856
Energy: 0.36277144883704165
Energy: 0.34365364283013544
Energy: 0.36579157793719297
Energy: 0.34862753089121185
Energy: 0.36695906700933084
Energy: 0.3466493477503805
Energy: 0.3282565196281094
Energy: 0.35165774139508643
Energy: 0.3476166833922256
Energy: 0.3489018935269009
Energy: 0.3664704741201064
Energy: 0.3496482814064565
Energy: 0.33102833419799416
Energy: 0.3488036350086803
Energy: 0.3491988948239945
Energy: 0.3317405785050694
Energy: 0.36606491379360334
Energy: 0.34990651182971966
Energy: 0.33672084464286567
Energy: 0.3259635926190861
Energy: 0.35090165406202867
Energy: 0.3320345012694881
Energy: 0.6651851799582927
Energy: 0.34241267897219
Energy: 0.35012311591181083
Energy: 0.35839919289693295
Energy: 0.3443861276386426
Energy: 0.35958302597319575
Energy: 0.6676769011736303
Energy: 0.3430975982345123
Energy: 0.3434291018618974
Energy: 0.36112687445647734
Energy: 0.3435494591477555
Energy: 0.32889838783502373
Energy: 0.4808651887957925
Energy: 0.3439692467899424
Energy: 0.34388335791185
Energy: 0.3602019222636687
Energy: 0.3449283117886064
Energy: 0.35663578394841083
Energy: 0.4953672716601916
Energy: 0.3246915283456461
Energy: 0.3508963267369726
Energy: 0.35669613382913895
Energy: 0.343281656910524
Energy: 0.36920183412785995
Energy: 0.48160048667979904
Energy: 0.34549710633974795
Energy: 0.33573584581705845
Energy: 0.35197936294901316
Energy: 0.35539823896550127
Energy: 0.35648786157608164
Energy: 0.40822256602254153
Energy: 0.35966048514805143
Energy: 0.3887189324405468
Energy: 0.43012297680750394
Energy: 0.3621861683722332
Energy: 0.35100184370311205
Energy: 0.34771626611189094
Energy: 0.3385893165643691
Energy: 0.33599126567394905
Energy: 0.3474632056146661
Energy: 0.34986302996195934
Energy: 0.34749929414450204
Energy: 0.3480423916332556
Energy: 0.34764875785894656
Energy: 0.33655299868696215
Energy: 0.34821496918510997
Energy: 0.35907923527977736
Energy: 0.3477613476121556
Energy: 0.532958229816492
Energy: 0.3592649566883791
Energy: 0.33722995954512086
Energy: 0.36429061978617805
Energy: 0.3584276018665297
Energy: 0.362051416834967
Energy: 0.5606794720074403
Energy: 0.34779151624150495
Energy: 0.37862264729078615
Energy: 0.36005311000664336
Energy: 0.35170372486749113
Energy: 0.37230715268720466
Energy: 0.5626533630233737
Energy: 0.34717114377403635
Energy: 0.34724490351645043
Energy: 0.3584136447839429
Energy: 0.34721490588881526
Energy: 0.33114000212680333
Energy: 0.46198058659612584
Energy: 0.3480834084258772
Energy: 0.347352197920249
Energy: 0.3366685113689579
Energy: 0.34886951831282176
Energy: 0.3619918882080025
Energy: 0.6147640787375914
Energy: 0.348180970379794
Energy: 0.3475694008926586
Energy: 0.3627164660673594
Energy: 0.3482950332261005
Energy: 0.3363670636065896
Energy: 0.6147472757181369
Energy: 0.34724824339457483
Energy: 0.3541986777383122
Energy: 0.36074094853463046
Energy: 0.3475008164535091
Energy: 0.3381804409593714
Energy: 0.42683711121329276
Energy: 0.3564125171070825
Energy: 0.3601935291229412
Energy: 0.34229359147577415
Energy: 0.35813437069484666
Energy: 0.33887197614251974
Energy: 0.3441979131221661
Energy: 0.3591412028762286
Energy: 0.3336937016663927
Energy: 0.3446910425017326
Energy: 0.363207426037704
Energy: 0.3244415903969361
Energy: 0.34361590362962907
Energy: 0.3301005129340792
Energy: 0.3297536976488443
Energy: 0.34363197190566286
Energy: 0.34473247523272244
Energy: 0.3436296403583042
Energy: 0.5413110683860894
Energy: 0.3878622080407963
Energy: 0.477938691470722
Energy: 0.5414486130891062
Energy: 0.3725351190828907
Energy: 0.34195423244768297
Energy: 0.3651502974390577
Energy: 0.3297947128949906
Energy: 0.33049161864398685
Energy: 0.3439493016096119
Energy: 0.3451319946763265
Energy: 0.3263831408454343
Energy: 0.3659930036171432
Energy: 0.3289885160369803
Energy: 0.3257135592398572
Energy: 0.3490297506541446
Energy: 0.35096766718390543
Energy: 0.32935543756391356
Energy: 0.3669931940908335
Energy: 0.3500608598289216
Energy: 0.3513050714926977
Energy: 0.3289385781269184
Energy: 0.3495839279697475
Energy: 0.33743358413785157
Energy: 0.6665739823792585
Energy: 0.3430459679607397
Energy: 0.32760480823912974
Energy: 0.36054198232207263
Energy: 0.34359813780714743
Energy: 0.3289720056901258

minimum gb energy = 0.3181473195671085 eV
minimum distance =  2.66290585166356 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.14228748431243132
Energy: 0.15345071945215447
Energy: 0.18497632362399583
Energy: 0.14377277938900113
Energy: 0.14377277938900113
Energy: 0.14272208491380053
Energy: 0.14294056454483778
Energy: 0.14294056454483778
Energy: 0.14294056454483778
Energy: 0.16710936120090814
Energy: 0.16710936120090814
Energy: 0.16710936120090814
Energy: 0.16710936120090814
Energy: 0.1672966037182072
Energy: 0.16807950084687237
Energy: 0.16712275093312803
Energy: 0.16654320638937836
Energy: 0.1681182193662322
Energy: 0.1681182193662322
Energy: 0.1673615630520799
Energy: 0.16825765733544512
Energy: 0.16825765733544512
Energy: 0.1672519360820677
Energy: 0.16890187834272333
Energy: 0.16890187834272333
Energy: 0.14415324839447824
Energy: 0.15854096560768777
Energy: 0.15854096560768777
Energy: 0.14288160250694207
Energy: 0.14288160250694207
Energy: 0.14288160250694207
Energy: 0.14303467924523058
Energy: 0.143113422214962
Energy: 0.143113422214962
Energy: 0.14264053546361558
Energy: 0.15702031733782287
Energy: 0.15702031733782287
Energy: 0.15027357615955042
Energy: 0.15016543139605595
Energy: 0.15016543139605595
Energy: 0.15110735697676816
Energy: 0.15012873613105102
Energy: 0.15012873613105102
Energy: 0.19267131196188905
Energy: 0.19199295892142845
Energy: 0.1663316605679743
Energy: 0.1683180192707824
Energy: 0.16857523303200259
Energy: 0.19341969603019177
Energy: 0.17209535065209783
Energy: 0.14949991917992647
Energy: 0.16643870286407983
Energy: 0.16643870286407983
Energy: 0.1674703710163077
Energy: 0.1425871013892294
Energy: 0.1425871013892294
Energy: 0.15781082949298597
Energy: 0.14257872389388448
Energy: 0.14257872389388448
Energy: 0.15718980102184052
Energy: 0.1424298587043767
Energy: 0.1424298587043767
Energy: 0.1424298587043767
Energy: 0.1426866044769523
Energy: 0.1426866044769523
Energy: 0.15859889435752547
Energy: 0.19417802043135207
Energy: 0.1673091850041633
Energy: 0.16983211073794063
Energy: 0.150644786448692
Energy: 0.150644786448692
Energy: 0.15019852983806783
Energy: 0.15019852983806783
Energy: 0.19818978751504826
Energy: 0.1928459635734518
Energy: 0.19394970318236626
Energy: 0.1940756498320441
Energy: 0.192692926222845
Energy: 0.192692926222845
Energy: 0.16706417162650447
Energy: 0.16733577658617782
Energy: 0.16733577658617782
Energy: 0.16746562822587094
Energy: 0.16746562822587094
Energy: 0.16746562822587094
Energy: 0.14253645572940668
Energy: 0.14271815854108724
Energy: 0.14271815854108724
Energy: 0.1455208738414884
Energy: 0.1433510110759971
Energy: 0.1433510110759971
Energy: 0.1433510110759971
Energy: 0.1433510110759971
Energy: 0.1433510110759971
Energy: 0.14305653846262553
Energy: 0.14305653846262553
Energy: 0.14305653846262553
Energy: 0.15114447221090088
Energy: 0.15276627081284788
Energy: 0.15276627081284788
Energy: 0.16758473103887975
Energy: 0.1680086001782048
Energy: 0.1941788316699812
Energy: 0.16881480891308864
Energy: 0.1923217984730276
Energy: 0.19448022999082942
Energy: 0.19448022999082942
Energy: 0.16887880671072225
Energy: 0.14246806939948053
Energy: 0.14246806939948053
Energy: 0.14246806939948053
Energy: 0.14270553426914834
Energy: 0.14270553426914834
Energy: 0.14270553426914834

minimum gb energy = 0.14228748431243132 eV
minimum distance =  2.71774308771291 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6939125927500659
Energy: 0.3750743921821484
Energy: 0.38564231253480985
Energy: 0.3929662797806131
Energy: 0.6182511388600053
Energy: 0.3859045948266711
Energy: 0.5068546322193002
Energy: 0.30970082674606636
Energy: 0.3118374189998867
Energy: 0.31084276855098497
Energy: 0.30270131725899685
Energy: 0.3136151070809309
Energy: 0.3027868159553498
Energy: 0.3042324251355504
Energy: 0.3065189677798296
Energy: 0.30329979935278845
Energy: 0.30522186219516745
Energy: 0.3082081478680097
Energy: 0.3029069244880115
Energy: 0.31362773315794906
Energy: 0.3154186177771301
Energy: 0.3033715846445242
Energy: 0.29895287187493275
Energy: 0.3085549618666502
Energy: 0.3016910563813579
Energy: 0.3158080666104017
Energy: 0.3012694310047571
Energy: 0.308721653314897
Energy: 0.33801686695811456
Energy: 0.3094818817795508
Energy: 0.40972806778531595
Energy: 0.3001127930698195
Energy: 0.30940094887675107
Energy: 0.324398421345328
Energy: 0.3406029239833905
Energy: 0.2998958288689259
Energy: 0.3971626023144076
Energy: 0.31481656276193354
Energy: 0.30735383397004096
Energy: 0.3064078632424787
Energy: 0.30887540500212024
Energy: 0.3010119330577355
Energy: 0.3393435442490386
Energy: 0.3287909892623864
Energy: 0.3257950114708052
Energy: 0.32402706056317754
Energy: 0.32742094133205407
Energy: 0.3259144581617484
Energy: 0.4124766369022743
Energy: 0.3069359827619717
Energy: 0.310310631385391
Energy: 0.3223477125792144
Energy: 0.31302531739453593
Energy: 0.32508940252804125
Energy: 0.5396794849046734
Energy: 0.30654112303975584
Energy: 0.3004362471535228
Energy: 0.30954907323290004
Energy: 0.2995360688490489
Energy: 0.316796930201949
Energy: 0.5385691641589663
Energy: 0.2990975610961742
Energy: 0.2996829946067988
Energy: 0.3380297985603478
Energy: 0.310779692476947
Energy: 0.3015236458335683
Energy: 0.44382418723891687
Energy: 0.29083877050259016
Energy: 0.3115502113561088
Energy: 0.3222878061577139
Energy: 0.2872392385148936
Energy: 0.32543451479819274
Energy: 0.34783843900089806
Energy: 0.30489773596542374
Energy: 0.31987692007120916
Energy: 0.34749862864012027
Energy: 0.2868362542583799
Energy: 0.31956429525567637
Energy: 0.3394927051389743
Energy: 0.3131644857996813
Energy: 0.3209755582699681
Energy: 0.33976193915171476
Energy: 0.31094577375776083
Energy: 0.32169716966560963
Energy: 0.3364903281155582
Energy: 0.43063184865688436
Energy: 0.4287203264497172
Energy: 0.33636479464973523
Energy: 0.35642262068026925
Energy: 0.3096360964867623
Energy: 0.5387075574296376
Energy: 0.3207964835035322
Energy: 0.3206780849561891
Energy: 0.309804947665814
Energy: 0.3289234931856815
Energy: 0.32194308419702955
Energy: 0.4727481112337105
Energy: 0.39962913082274143
Energy: 0.31308822099264266
Energy: 0.3799864596669519
Energy: 0.39926109989365777
Energy: 0.31343390566980256
Energy: 0.534730032842548
Energy: 0.31319495879413795
Energy: 0.32258762844656286
Energy: 0.33404038976831896
Energy: 0.32709502225398335
Energy: 0.3263032511205349
Energy: 0.5042922419163582
Energy: 0.32448500445264783
Energy: 0.3303607875164588
Energy: 0.3124413050462304
Energy: 0.34032433593132216
Energy: 0.31623605816360656
Energy: 0.397040867565396
Energy: 0.443556240856686
Energy: 0.32282077659063546
Energy: 0.3023593412501656
Energy: 0.35774880602327547
Energy: 0.34849151827663394
Energy: 0.5200059287339805
Energy: 0.3218657832111945
Energy: 0.3098583719809897
Energy: 0.3012924950085173
Energy: 0.32885433976665035
Energy: 0.30900537675210127
Energy: 0.43433953350847987
Energy: 0.40299092423277844
Energy: 0.4042818930251446
Energy: 0.4344237807932889
Energy: 0.40450206210888345
Energy: 0.311004728102995
Energy: 0.31492654239625356
Energy: 0.31856366216289966
Energy: 0.31592872651289583
Energy: 0.311730501757067
Energy: 0.32751919150670294
Energy: 0.3102632961774011
Energy: 0.31611559555395413
Energy: 0.30669936964964606
Energy: 0.3054675205680965
Energy: 0.3172771052968172
Energy: 0.303834242202245
Energy: 0.3141697021779355
Energy: 0.4019230121154811
Energy: 0.3064147592003237
Energy: 0.30828950205228367
Energy: 0.3108926570473618
Energy: 0.3036046878655126
Energy: 0.3069556286156761
Energy: 0.5402084700862835
Energy: 0.3170213734778342
Energy: 0.3091602218646614
Energy: 0.3421938109263588
Energy: 0.3123935622836548
Energy: 0.29329351499953105

minimum gb energy = 0.2868362542583799 eV
minimum distance =  2.67866116416713 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.6722297641631648
Energy: 0.4210526725459424
Energy: 0.4209687453851462
Energy: 0.4485971403642185
Energy: 0.33458745112013655
Energy: 0.4489110116436092
Energy: 0.6196827949852148
Energy: 0.3324114115459171
Energy: 0.3328209849918058
Energy: 0.33642797296614974
Energy: 0.3362370514213487
Energy: 0.33236132275108
Energy: 0.33464070619301034
Energy: 0.33279995431778064
Energy: 0.3226609049661608
Energy: 0.3355960883721612
Energy: 0.3338239563843107
Energy: 0.32305042664833744
Energy: 0.33520451830801895
Energy: 0.34581570582379967
Energy: 0.32238560701376445
Energy: 0.33582077217906464
Energy: 0.32322643777370946
Energy: 0.32564858463981405
Energy: 0.3354901216766564
Energy: 0.35039739163048367
Energy: 0.3376501053818307
Energy: 0.34327922663086147
Energy: 0.3494033750939142
Energy: 0.33008409251147297
Energy: 0.4805561755200233
Energy: 0.33581274001568423
Energy: 0.34064989584872696
Energy: 0.3455236237179982
Energy: 0.3353838323488844
Energy: 0.34744812833613326
Energy: 0.470513402299508
Energy: 0.3434833188551094
Energy: 0.3333518732136728
Energy: 0.33564730571643486
Energy: 0.3386708713360221
Energy: 0.3305437769844732
Energy: 0.3944876183316747
Energy: 0.3737495807483782
Energy: 0.3739259741432701
Energy: 0.3062433070581675
Energy: 0.3746183205959633
Energy: 0.30522293904838743
Energy: 0.47976695368998135
Energy: 0.3434574446294318
Energy: 0.3474610292963329
Energy: 0.34399669249805354
Energy: 0.3363133141284489
Energy: 0.3419481475176466
Energy: 0.46970329577090925
Energy: 0.34503320532204723
Energy: 0.3472768995837848
Energy: 0.3362904082230121
Energy: 0.3421049258980772
Energy: 0.3373400160426947
Energy: 0.47100504959225464
Energy: 0.3480277071403226
Energy: 0.34609805774703944
Energy: 0.34184160379555345
Energy: 0.34494579696496686
Energy: 0.34672274169590045
Energy: 0.5357357259253623
Energy: 0.31760600143735324
Energy: 0.34596991797903126
Energy: 0.341742641678725
Energy: 0.3078408935562634
Energy: 0.33787544998110597
Energy: 0.3377355500154291
Energy: 0.3068189048622588
Energy: 0.3062938043819741
Energy: 0.343886632522824
Energy: 0.30751982475954714
Energy: 0.30858859101371094
Energy: 0.3356227210536573
Energy: 0.3429284588923868
Energy: 0.33240150160611437
Energy: 0.3367669835669091
Energy: 0.3432371425281827
Energy: 0.3346050971009621
Energy: 0.3744155214424208
Energy: 0.3381500669784178
Energy: 0.3774868012046036
Energy: 0.374717358904335
Energy: 0.3958240170321662
Energy: 0.3754990421230034
Energy: 0.46787279581409746
Energy: 0.3479287635869255
Energy: 0.3310834240058852
Energy: 0.33711479264031546
Energy: 0.3363981803351688
Energy: 0.33448170404710065
Energy: 0.5807425969055626
Energy: 0.33712243834767913
Energy: 0.3238658448934068
Energy: 0.3221865233205873
Energy: 0.33681352059629927
Energy: 0.4431018929835871
Energy: 0.6195948279710962
Energy: 0.33190013631462595
Energy: 0.3314675485298398
Energy: 0.35994208982164466
Energy: 0.334130291226739
Energy: 0.32478439550297517
Energy: 0.33443450074102143
Energy: 0.3338063430094883
Energy: 0.33410260440986733
Energy: 0.3354822803855425
Energy: 0.3371169217438893
Energy: 0.32215111129566315
Energy: 0.33550566572686796
Energy: 0.3235850281753501
Energy: 0.3227060960027956
Energy: 0.33659470255705015
Energy: 0.33750033484426717
Energy: 0.3241922539935738
Energy: 0.33580838704131416
Energy: 0.32351446666145023
Energy: 0.33137456468892834
Energy: 0.3432552101977182
Energy: 0.33695504182905356
Energy: 0.331169903101501
Energy: 0.420237697688328
Energy: 0.4137772218360278
Energy: 0.41368111049765693
Energy: 0.4202760950866947
Energy: 0.4136197313072037
Energy: 0.4132653757434976
Energy: 0.47163823706520475
Energy: 0.34496241246527376
Energy: 0.3318633565841786
Energy: 0.3438629253222598
Energy: 0.3362932716212252
Energy: 0.33278658916023895
Energy: 0.3585138066865451
Energy: 0.37869458691674884
Energy: 0.37697811931606273
Energy: 0.3585835707259932
Energy: 0.3779510013198153
Energy: 0.3051321486717612
Energy: 0.4705939505835807
Energy: 0.34392753809098237
Energy: 0.3347291205184117
Energy: 0.3437730152804722
Energy: 0.33686776734807033
Energy: 0.33003796293543186
Energy: 0.47185060984672395
Energy: 0.34541150827913525
Energy: 0.346216868662593
Energy: 0.3418786690587098
Energy: 0.347205002790994
Energy: 0.34657484378991466
Energy: 0.4698014296293686
Energy: 0.34583624300777954
Energy: 0.33734116958638943
Energy: 0.3358136040359462
Energy: 0.34547110388910107
Energy: 0.3368635586044715
Energy: 0.6101622289228665
Energy: 0.3347353359919242
Energy: 0.34494684021151484
Energy: 0.34565361165137487
Energy: 0.3233357604548063
Energy: 0.3462338977050676
Energy: 0.33741000007043304
Energy: 0.3580389218096667
Energy: 0.35821864284261107
Energy: 0.33928212392244717
Energy: 0.3583178533436178
Energy: 0.44345877942303347
Energy: 0.33645622487410437
Energy: 0.34481635216359946
Energy: 0.3384144705207283
Energy: 0.33676565232118094
Energy: 0.3528851550379819
Energy: 0.33967681206583994
Energy: 0.37369002788570516
Energy: 0.3393537775914609
Energy: 0.35761011098961726
Energy: 0.3746276154214317
Energy: 0.33439104269335806
Energy: 0.3363950969256907
Energy: 0.46846165169348997
Energy: 0.3352079142142671
Energy: 0.3329600752466887
Energy: 0.35409015023550117
Energy: 0.3358699311317296
Energy: 0.3351649743910076
Energy: 0.5833680957606424
Energy: 0.3462952406251408
Energy: 0.32396871649288633
Energy: 0.32072872942672004
Energy: 0.3439264180471026
Energy: 0.32437861616573416

minimum gb energy = 0.3051321486717612 eV
minimum distance =  2.6724511341309 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.45764666029134987
Energy: 0.408893065310646
Energy: 0.4067647501396537
Energy: 0.32939950153412373
Energy: 0.7141129245080827
Energy: 0.4063928244666084
Energy: 0.680134512257066
Energy: 0.34840432307046026
Energy: 0.36232120675020263
Energy: 0.35502091003294395
Energy: 0.37262618675435216
Energy: 0.3636862782880252
Energy: 0.3732181690794345
Energy: 0.3457859686195371
Energy: 0.3416452329149736
Energy: 0.3737570480237759
Energy: 0.344690631490766
Energy: 0.3410710481624151
Energy: 0.37106027999881797
Energy: 0.3460139414602053
Energy: 0.34513634958440215
Energy: 0.3711892866893242
Energy: 0.3485867568454503
Energy: 0.3452691177097427
Energy: 0.3711770672614379
Energy: 0.34989556159638346
Energy: 0.35632120952357416
Energy: 0.39050256155455065
Energy: 0.3506741462959072
Energy: 0.3607159979010355
Energy: 0.42540125758282804
Energy: 0.3564565043767992
Energy: 0.3503539238373629
Energy: 0.3920502628695415
Energy: 0.3483752675153047
Energy: 0.34806359913256607
Energy: 0.542710594771006
Energy: 0.3575191564298672
Energy: 0.3556455309463668
Energy: 0.3722563050780686
Energy: 0.35533064350995286
Energy: 0.3619286107752161
Energy: 0.45757488543163244
Energy: 0.34087671449545415
Energy: 0.3281874901387641
Energy: 0.33306246089381797
Energy: 0.3431511463963765
Energy: 0.32978715410898907
Energy: 0.40593549368627196
Energy: 0.3552328865465214
Energy: 0.3573108253246722
Energy: 0.34094107573361326
Energy: 0.34036031211746043
Energy: 0.355643177218811
Energy: 0.5427998753772015
Energy: 0.3508270639116983
Energy: 0.3577609760044245
Energy: 0.3738634879264303
Energy: 0.3507300535116316
Energy: 0.3578638188594173
Energy: 0.5451902062061771
Energy: 0.35897409667636987
Energy: 0.3569577315744517
Energy: 0.37148723949129675
Energy: 0.35896818724542306
Energy: 0.34576047071096466
Energy: 0.4896966502733953
Energy: 0.3346256258966528
Energy: 0.35289678505387445
Energy: 0.3723151847338183
Energy: 0.3344623654628313
Energy: 0.38658532638399334
Energy: 0.37221933361476695
Energy: 0.3380378978118259
Energy: 0.3340512885961751
Energy: 0.3721747226970848
Energy: 0.33371865337617035
Energy: 0.36801911097206264
Energy: 0.37439635981005115
Energy: 0.34813109425023
Energy: 0.34696470116213024
Energy: 0.3750095908541768
Energy: 0.3469180125037761
Energy: 0.34673665747847043
Energy: 0.32833421002768765
Energy: 0.3418534970669011
Energy: 0.3410509189151463
Energy: 0.34441644172312424
Energy: 0.34152929393179665
Energy: 0.3404010634570603
Energy: 0.37421373817474946
Energy: 0.375063404562091
Energy: 0.3473176200519134
Energy: 0.34669462771527143
Energy: 0.3723301659325079
Energy: 0.34774265055704373
Energy: 0.5422076522831565
Energy: 0.40511115102065665
Energy: 0.44127767963048614
Energy: 0.34748465309425247
Energy: 0.3916779379241399
Energy: 0.34666830233756696
Energy: 0.5442285505009977
Energy: 0.3904620452112497
Energy: 0.3608830443059139
Energy: 0.37463496952778025
Energy: 0.3919868234663308
Energy: 0.35763451179840156
Energy: 0.3704951437012537
Energy: 0.3318667993447151
Energy: 0.3295332218889008
Energy: 0.3604599757305275
Energy: 0.410644702023154
Energy: 0.3752141125446315
Energy: 0.34966071737447113
Energy: 0.3329084835335685
Energy: 0.3308098498353475
Energy: 0.3578350095374531
Energy: 0.38165485546918043
Energy: 0.35689862418446217
Energy: 0.3453450853954674
Energy: 0.3630939535302706
Energy: 0.3737559350476955
Energy: 0.3458550193803014
Energy: 0.3626996327468289
Energy: 0.35554785056678073
Energy: 0.44373650297649914
Energy: 0.3565697619128365
Energy: 0.35558454556008334
Energy: 0.44454045226917005
Energy: 0.34888231281269644
Energy: 0.3434650465946331
Energy: 0.5132011336094763
Energy: 0.3631248731397873
Energy: 0.3636887816405816
Energy: 0.3447187341503949
Energy: 0.37849350578817303
Energy: 0.37413215654926274
Energy: 0.45731650976987026
Energy: 0.4469519661470731
Energy: 0.33727969241235156
Energy: 0.3300962330611853
Energy: 0.5024657530636512
Energy: 0.3324616084151432
Energy: 0.6812982263754427
Energy: 0.3612824895581972
Energy: 0.36269977695244127
Energy: 0.34470518477790085
Energy: 0.34688105289117055
Energy: 0.36183846484741805
Energy: 0.3715064243198396
Energy: 0.34800874765079703
Energy: 0.34395833366908124
Energy: 0.37206029735620105
Energy: 0.3461664119540394
Energy: 0.34317021469041337
Energy: 0.3726153407185162
Energy: 0.3463219852530029
Energy: 0.3436314761694891
Energy: 0.37290992952919166
Energy: 0.34884115800071974
Energy: 0.3442827803468455
Energy: 0.3721622421681398
Energy: 0.3601552335965621
Energy: 0.35700504661664656
Energy: 0.3909400407963119
Energy: 0.3535903966778565
Energy: 0.3621706222186717
Energy: 0.5015838941507298
Energy: 0.35289331835850546
Energy: 0.3540124011603638
Energy: 0.5027143860086083
Energy: 0.35222737705043644
Energy: 0.3525334737385699
Energy: 0.5425165882038847
Energy: 0.3567359166451688
Energy: 0.3581146689342064
Energy: 0.38708519893826243
Energy: 0.35469604427936746
Energy: 0.3623213376167361
Energy: 0.45767395984683834
Energy: 0.44095463818523906
Energy: 0.3281072921935371
Energy: 0.33259260666357127
Energy: 0.4445127403773659
Energy: 0.3279335746077792
Energy: 0.40702087205605575
Energy: 0.3564204157016555
Energy: 0.3579474482964094
Energy: 0.36136919377131055
Energy: 0.3544849186427988
Energy: 0.3750194565358649
Energy: 0.5426519345487174
Energy: 0.35624284453626864
Energy: 0.3567236678632935
Energy: 0.37278992587186455
Energy: 0.3492667675550699
Energy: 0.35700304808656763
Energy: 0.5427116790592426
Energy: 0.3571096375780876
Energy: 0.35673432531195476
Energy: 0.3718301341806681
Energy: 0.35156114056933563
Energy: 0.3463100302990304
Energy: 0.4073892621548471
Energy: 0.3548340594783412
Energy: 0.36795030485919933
Energy: 0.3916567750711994
Energy: 0.334125531554694
Energy: 0.3742320591607921
Energy: 0.3715958261135915
Energy: 0.3722601927527481
Energy: 0.3554765518000046
Energy: 0.3711901801389506
Energy: 0.3330647399873726
Energy: 0.3373429766294526
Energy: 0.3752744053248854
Energy: 0.3472787823653235
Energy: 0.36162693898824955
Energy: 0.3757626903322423
Energy: 0.34615215333954735
Energy: 0.34672915202996935
Energy: 0.3277881126792598
Energy: 0.3441818948179035
Energy: 0.3406105213334286
Energy: 0.3288036917507064
Energy: 0.3474630651606956
Energy: 0.3404415422314414
Energy: 0.3722362452163973
Energy: 0.3733806120397485
Energy: 0.34643832631741023
Energy: 0.34699320337402556
Energy: 0.37136802423944815
Energy: 0.34665640701101896
Energy: 0.5429280114206955
Energy: 0.3562474843102916
Energy: 0.35649504161154
Energy: 0.3773378905308617
Energy: 0.4052930179161522
Energy: 0.3473580658917282
Energy: 0.5460694816849289
Energy: 0.39086170643708595
Energy: 0.3611849017393974
Energy: 0.3749712058158046
Energy: 0.3901491527032312
Energy: 0.35674762163661644
Energy: 0.3705359667094774
Energy: 0.33470748192069416
Energy: 0.33313190234173257
Energy: 0.35894774674703067
Energy: 0.40844840262804916
Energy: 0.37468282931959795
Energy: 0.3503849770494148
Energy: 0.3306589359510359
Energy: 0.32801648686277046
Energy: 0.3497330704258295
Energy: 0.3351826006470281
Energy: 0.3280488251428716
Energy: 0.3444375028464633
Energy: 0.3646423668899466
Energy: 0.3614364172616805
Energy: 0.34488439703121593
Energy: 0.3608581841216617
Energy: 0.35556089064242374
Energy: 0.4404619106921184
Energy: 0.3476035402610874
Energy: 0.347373398192009
Energy: 0.43995472943478725
Energy: 0.35691059519276486
Energy: 0.34758247275883636
Energy: 0.5115227404370652
Energy: 0.36319530748658624
Energy: 0.3630836310253377
Energy: 0.3472528837531985
Energy: 0.37678847411508143
Energy: 0.3732596096767915
Energy: 0.6794183361907008
Energy: 0.3455997490733282
Energy: 0.33718903929752664
Energy: 0.3325241105975473
Energy: 0.4913282361616549
Energy: 0.36750120468281994

minimum gb energy = 0.3277881126792598 eV
minimum distance =  2.66587247364527 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5541278864158293
Energy: 0.34580533206715736
Energy: 0.34592194874820403
Energy: 0.34558039550404374
Energy: 0.5911604987001746
Energy: 0.3456726165692002
Energy: 0.4509896815568805
Energy: 0.37019939563405097
Energy: 0.370645753710115
Energy: 0.3692028630417238
Energy: 0.37103448287648294
Energy: 0.370462847209724
Energy: 0.40594350978391947
Energy: 0.3384630909053511
Energy: 0.361999723155507
Energy: 0.3606215057989361
Energy: 0.3392103028030387
Energy: 0.36173050790807154
Energy: 0.40413013617055654
Energy: 0.36346904436270977
Energy: 0.3622410793577879
Energy: 0.36569310164541763
Energy: 0.362703563250747
Energy: 0.36210100308329696
Energy: 0.3997138484843316
Energy: 0.370257439705589
Energy: 0.37043292548443063
Energy: 0.40025676355581963
Energy: 0.3650978662977145
Energy: 0.37116772001917137
Energy: 0.399509659504502
Energy: 0.35384338500237256
Energy: 0.37030063990601714
Energy: 0.4002085945538389
Energy: 0.35324905199552586
Energy: 0.3708369592074066
Energy: 0.45076299951742355
Energy: 0.37310635709279283
Energy: 0.3715673132029876
Energy: 0.34087929461394917
Energy: 0.37043652933111065
Energy: 0.3707208843607842

minimum gb energy = 0.3384630909053511 eV
minimum distance =  2.70862834234916 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.7495808883576925
Energy: 0.497104275188676
Energy: 0.46292651152412556
Energy: 0.4257038756805346
Energy: 0.6753252707612251
Energy: 0.464712900680819
Energy: 0.42903361617645597
Energy: 0.46063792266476283
Energy: 0.39932743898780537
Energy: 0.3997047800084958
Energy: 0.4853259047713819
Energy: 0.3984716407735611
Energy: 0.40248225585869996
Energy: 0.3942457804988835
Energy: 0.3945917579260962
Energy: 0.3967724647242748
Energy: 0.395589821833453
Energy: 0.3968193094159045
Energy: 0.3982431658121219
Energy: 0.3957392824669025
Energy: 0.3960526807305065
Energy: 0.39890862051634146
Energy: 0.3938553095093295
Energy: 0.395880005722669
Energy: 0.4070511902156229
Energy: 0.39774866282636995
Energy: 0.39772339047947497
Energy: 0.4077176839576604
Energy: 0.3975323611933445
Energy: 0.39991845661695596
Energy: 0.4363350373634162
Energy: 0.3973064557935694
Energy: 0.39770083267640177
Energy: 0.4568299686922938
Energy: 0.4220929223351607
Energy: 0.3979064411038041
Energy: 0.3976387212340656
Energy: 0.4635897463112313
Energy: 0.46472001664022855
Energy: 0.4029574160703642
Energy: 0.4739418816961664
Energy: 0.4289139704542779
Energy: 0.5462357847890309
Energy: 0.4212373685316078
Energy: 0.4946195028093078
Energy: 0.39726308250690273
Energy: 0.42198913207649363
Energy: 0.44834372246208853
Energy: 0.4470835545381889
Energy: 0.4299970054852581
Energy: 0.4287864064306744
Energy: 0.4467894347067894
Energy: 0.47408748655067706
Energy: 0.4295672274837783
Energy: 0.5259311166754264
Energy: 0.398017014961252
Energy: 0.40979561811101584
Energy: 0.5233129366418758
Energy: 0.39680926791728455
Energy: 0.393120140442797
Energy: 0.4668703803846899
Energy: 0.42197840013011073
Energy: 0.41915759280541554
Energy: 0.4654379471286883
Energy: 0.4478264791001475
Energy: 0.46162826244853533
Energy: 0.4731002878566917
Energy: 0.4240433672790976
Energy: 0.40064801019120233
Energy: 0.4398586270321984
Energy: 0.445389968263945
Energy: 0.4003152087396558
Energy: 0.4652189268015806
Energy: 0.4015407293831333
Energy: 0.400726611973459
Energy: 0.40259731795393044
Energy: 0.40142843013593954
Energy: 0.39890075636389344
Energy: 0.5120323794059036
Energy: 0.402859823215376
Energy: 0.3984250454485559
Energy: 0.4259286455638759
Energy: 0.3993969798980347
Energy: 0.3981971951129587
Energy: 0.48881626179264026
Energy: 0.3985913873662676
Energy: 0.3999852270220207
Energy: 0.3963255389123731
Energy: 0.3986630357941442
Energy: 0.4621516521246928
Energy: 0.5373783451907741
Energy: 0.401893660970349
Energy: 0.40015769577598825
Energy: 0.47291748940026845
Energy: 0.4136446107581007
Energy: 0.398246558045495
Energy: 0.5244764635968714
Energy: 0.4333759997008892
Energy: 0.43168789805232977
Energy: 0.4831704355799668
Energy: 0.394175482221154
Energy: 0.4624163345539966
Energy: 0.5073490333122723
Energy: 0.4304566168541399
Energy: 0.42197781326587214
Energy: 0.5053178820201915
Energy: 0.43391865820332126
Energy: 0.4313044092044213
Energy: 0.552711668290224
Energy: 0.4213711174434262
Energy: 0.4246647574056201
Energy: 0.3967051043773314
Energy: 0.4740856555159702
Energy: 0.3969547777268086
Energy: 0.5110777035756823
Energy: 0.42227485024419026
Energy: 0.4215990300735118
Energy: 0.3973230487022052
Energy: 0.42201640016589104
Energy: 0.4093605509323948
Energy: 0.4428212288321752
Energy: 0.42587891364855174
Energy: 0.42614445276907215
Energy: 0.4558128740992974
Energy: 0.4241757257162496
Energy: 0.42408654473161317
Energy: 0.43601911538262134
Energy: 0.4578354409000107
Energy: 0.447289227348754
Energy: 0.44040749364250353
Energy: 0.44621842305953396
Energy: 0.4481303529301744
Energy: 0.4285847206745114
Energy: 0.4226830226740048
Energy: 0.4453865719670532
Energy: 0.43054528011027343
Energy: 0.42409176776456425
Energy: 0.4430826677497205
Energy: 0.4292249437632747
Energy: 0.3978976262314559
Energy: 0.39842018565361714
Energy: 0.42923520251777886
Energy: 0.39779035087771253
Energy: 0.4291660278243601
Energy: 0.39449024001506716
Energy: 0.3915589441789649
Energy: 0.3909429525643068
Energy: 0.4421860108523878
Energy: 0.47625635440441466
Energy: 0.3908975683810208
Energy: 0.6710074962180312
Energy: 0.47450483976266833
Energy: 0.4819667164149556
Energy: 0.38999891709195733
Energy: 0.4738163786868581
Energy: 0.4034101145499049
Energy: 0.5763874326946833
Energy: 0.40404331821986855
Energy: 0.4796813427614979
Energy: 0.3902152394675708
Energy: 0.5003018184382652
Energy: 0.42934414134038656
Energy: 0.40243859996448617
Energy: 0.3915400507603947
Energy: 0.3908819379533647
Energy: 0.4231488164650357
Energy: 0.39293700061142206
Energy: 0.3908723335982946
Energy: 0.4084063720781793
Energy: 0.396242525560612
Energy: 0.3960040915895427
Energy: 0.40876849067834004
Energy: 0.39628158619636367
Energy: 0.40584053923632607
Energy: 0.40383733214481227
Energy: 0.4184111883153424
Energy: 0.41575173340025523
Energy: 0.4052357674532495
Energy: 0.437055193762289
Energy: 0.41015684733339786
Energy: 0.4096899853072271
Energy: 0.42000260566992015
Energy: 0.41734425786024765
Energy: 0.4196074260377041
Energy: 0.4199627036022845
Energy: 0.4205371547664931
Energy: 0.409216571150068
Energy: 0.42154872528925175
Energy: 0.42002121991351743
Energy: 0.41827678670133084
Energy: 0.46831480561376027
Energy: 0.4159683057795621
Energy: 0.5343752493440962
Energy: 0.4599738568149011
Energy: 0.40109090081886684
Energy: 0.39640344541551925
Energy: 0.45671122978045203
Energy: 0.43156413758627715
Energy: 0.5595243049019405
Energy: 0.41423832942460176
Energy: 0.42350808144293595
Energy: 0.3940311467580551
Energy: 0.49033430582016974
Energy: 0.4315407622556009
Energy: 0.4340315230056552
Energy: 0.42220653581861745
Energy: 0.416059001026053
Energy: 0.46054572417023326
Energy: 0.4242536294039229
Energy: 0.4292326924362259
Energy: 0.47375538381853355
Energy: 0.39604256379562053
Energy: 0.4097070198409551
Energy: 0.4700136785124374
Energy: 0.39720462262552775
Energy: 0.43073736115653166
Energy: 0.484573510925292
Energy: 0.40371752424967045
Energy: 0.4015231110106721
Energy: 0.4609478560410374
Energy: 0.4372140422792851
Energy: 0.44836818194900435
Energy: 0.4623170669694479
Energy: 0.44839340026692637
Energy: 0.4510801285648005
Energy: 0.4023071296185759
Energy: 0.4251428711778731
Energy: 0.4500528315772466
Energy: 0.44560978319861017
Energy: 0.4030551670424162
Energy: 0.40179620515247966
Energy: 0.43975846598837665
Energy: 0.4007049393662349
Energy: 0.4017091861062455
Energy: 0.5016449790660468
Energy: 0.3986796399935518
Energy: 0.39931335248589855
Energy: 0.39619457551443693
Energy: 0.40565763974689534
Energy: 0.3989306207833078
Energy: 0.5216846910281557
Energy: 0.4022428855168718
Energy: 0.397124147683929
Energy: 0.3991332165185211
Energy: 0.41901976093759613
Energy: 0.396878361223563
Energy: 0.5242951317766352
Energy: 0.4470048188188609
Energy: 0.4469643816049038
Energy: 0.5111874576793706
Energy: 0.39332811214687197
Energy: 0.3995002593949279
Energy: 0.5391953700542962
Energy: 0.393167792032079
Energy: 0.43223565675383796
Energy: 0.5307921418436751
Energy: 0.3934985595539272
Energy: 0.3983750347643816
Energy: 0.5642584216443707
Energy: 0.42577920625645493
Energy: 0.41128705822167133
Energy: 0.4361154469823475
Energy: 0.4231315273947838
Energy: 0.4000296025825318
Energy: 0.6554410371968132
Energy: 0.4213074004461049
Energy: 0.4256920673320893
Energy: 0.4127294753562999
Energy: 0.42110566950514455
Energy: 0.4254597101625574
Energy: 0.4255349367711384
Energy: 0.4270536768183201
Energy: 0.42960366608760564
Energy: 0.4032553052788221
Energy: 0.4230842327168917
Energy: 0.4275808344696752
Energy: 0.428373699278896
Energy: 0.45172431816654707
Energy: 0.45134488811297163
Energy: 0.44532557843247067
Energy: 0.43151328076674306
Energy: 0.4510871977742763
Energy: 0.43240521491133505
Energy: 0.4265359521796887
Energy: 0.41385661990931755
Energy: 0.4331756654974312
Energy: 0.4541529401227704
Energy: 0.4187174666273736
Energy: 0.42234760543494615
Energy: 0.39567333168414026
Energy: 0.39675894533467754
Energy: 0.42364349195652945
Energy: 0.3957265885573167
Energy: 0.4215361676249549
Energy: 0.4572868685930519
Energy: 0.39584972171869026
Energy: 0.3961771082456032
Energy: 0.4551504714606142
Energy: 0.3957936655838069
Energy: 0.3964844921236067
Energy: 0.4665546135942453
Energy: 0.4595927138579143
Energy: 0.4004793773581826
Energy: 0.42288572561901683
Energy: 0.482758354542135
Energy: 0.4226379390081027

minimum gb energy = 0.38999891709195733 eV
minimum distance =  2.59102410704707 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.7472412044406184
Energy: 0.39775607456707696
Energy: 0.3984478274973356
Energy: 0.39724115994502174
Energy: 0.4146552143351213
Energy: 0.3989139288491
Energy: 0.47588352648056104
Energy: 0.40965799466352054
Energy: 0.4092981342978703
Energy: 0.3931171773322306
Energy: 0.3956345316434171
Energy: 0.4106703408681794
Energy: 0.3921216267431985
Energy: 0.4300246887736121
Energy: 0.43018752879679895
Energy: 0.4116269149453099
Energy: 0.41355327288714155
Energy: 0.41242106086905217
Energy: 0.39381251230685216
Energy: 0.437310668602009
Energy: 0.4092181778861977
Energy: 0.3904032059381267
Energy: 0.4105746222009992
Energy: 0.3908935505454938
Energy: 0.3907110062694464
Energy: 0.40948930492358854
Energy: 0.4104941540028704
Energy: 0.39080123696046204
Energy: 0.40912682476265966
Energy: 0.4120569091482064
Energy: 0.42706303044027427
Energy: 0.40978046591218353
Energy: 0.4104288939541997
Energy: 0.452081417282067
Energy: 0.4067047838721285
Energy: 0.4122199195445048
Energy: 0.3911579212903913
Energy: 0.40672278399287604
Energy: 0.40754055938839717
Energy: 0.39396508310063183
Energy: 0.43592910496541926
Energy: 0.4075281655092372
Energy: 0.5757428723360698
Energy: 0.4104598173569067
Energy: 0.4135682692845214
Energy: 0.4114436869191001
Energy: 0.4116521210214734
Energy: 0.41179695512515224
Energy: 0.3914564551472496
Energy: 0.39661423141590824
Energy: 0.3945439280529146
Energy: 0.3929389158154096
Energy: 0.4072529556481065
Energy: 0.3946851829702296
Energy: 0.42604843519872837
Energy: 0.3789796784232563
Energy: 0.37916644563043744
Energy: 0.4273497010410549
Energy: 0.3788406174675543
Energy: 0.3788967328420806
Energy: 0.3925929963717151
Energy: 0.3768282668903959
Energy: 0.3770949221310793
Energy: 0.39226663205369444
Energy: 0.3784356049846111
Energy: 0.41018689609659953
Energy: 0.3821251575263783
Energy: 0.4098155391706317
Energy: 0.41021922436373737
Energy: 0.3821400637723354
Energy: 0.41013773077066096
Energy: 0.4105354477954004
Energy: 0.38140428301669044
Energy: 0.39066332791624575
Energy: 0.4131981565673364
Energy: 0.4307541703516429
Energy: 0.3906046344579258
Energy: 0.42969744081166555
Energy: 0.3926618606146348
Energy: 0.39023575127975085
Energy: 0.41141360347897477
Energy: 0.4038283821214575
Energy: 0.39274807141492246
Energy: 0.4102441821942585
Energy: 0.4665354375767825
Energy: 0.41819859219284605
Energy: 0.4140215961832341
Energy: 0.41166180939244496
Energy: 0.41772019723717013
Energy: 0.4130035306314629
Energy: 0.4031929782983035
Energy: 0.41300009826505585
Energy: 0.40896742719984
Energy: 0.4175059341739637
Energy: 0.39393265491820334
Energy: 0.4091064839677761
Energy: 0.46491708293354994
Energy: 0.41056975478659075
Energy: 0.4121954173692459
Energy: 0.41315719675140083
Energy: 0.41005006946112915
Energy: 0.413814078942474
Energy: 0.471746226606065
Energy: 0.40739174857489935
Energy: 0.39732730496195284
Energy: 0.42820517960380894
Energy: 0.3935357582403537
Energy: 0.39724256549037934
Energy: 0.4738445133895553
Energy: 0.40991524339181873
Energy: 0.3777503859060602
Energy: 0.3771634744409503
Energy: 0.393154202830964
Energy: 0.37758323042071246
Energy: 0.537731848320833
Energy: 0.41064605708573404
Energy: 0.37808605459650274
Energy: 0.3774106357820248
Energy: 0.3930369904871957
Energy: 0.37815257584264544
Energy: 0.39033189709611416
Energy: 0.42451544953566295
Energy: 0.4064380516268592
Energy: 0.395145678124043
Energy: 0.40390240236100644
Energy: 0.41003080925876567
Energy: 0.390592519357993
Energy: 0.43165491359843955
Energy: 0.4292327608839351
Energy: 0.41232558586473117
Energy: 0.429084562769569
Energy: 0.4288351837062401
Energy: 0.3899587870609266
Energy: 0.434724864818722
Energy: 0.41919263234271154
Energy: 0.39075544329443657
Energy: 0.4036813596956549
Energy: 0.3813032257194324
Energy: 0.3899409631489217
Energy: 0.41401014327155905
Energy: 0.414035544595042
Energy: 0.4137464015813952
Energy: 0.4141882843334804
Energy: 0.4143865244948592
Energy: 0.3904088963397886
Energy: 0.40652676547843464
Energy: 0.4091196116025148
Energy: 0.3957076329736863
Energy: 0.4058689468449792
Energy: 0.4105020240424229
Energy: 0.4593623197144825
Energy: 0.42943642151408923
Energy: 0.42964144930480513
Energy: 0.4085880491755454
Energy: 0.4298011276374186
Energy: 0.39528202632360143
Energy: 0.3803344636364309
Energy: 0.429300863480276
Energy: 0.4298807601055641
Energy: 0.3936001433781963
Energy: 0.4294823103073905
Energy: 0.3957704811769427
Energy: 0.3904149793258548
Energy: 0.3767758366090777
Energy: 0.40608968095119574
Energy: 0.39217440829795497
Energy: 0.40840691421255665
Energy: 0.4095780940691467
Energy: 0.39256091628560225
Energy: 0.37936600889655303
Energy: 0.37930910767437576
Energy: 0.3931140288142249
Energy: 0.37923707935810047
Energy: 0.3781303631627401
Energy: 0.39196478451349087
Energy: 0.4115134710567929
Energy: 0.40575161956476663
Energy: 0.3929174375034626
Energy: 0.3936000072555923
Energy: 0.4158296730160649
Energy: 0.3794134424866207
Energy: 0.413508773368921
Energy: 0.4131669113814651
Energy: 0.42880445578270326
Energy: 0.41927395415787
Energy: 0.429178780702847
Energy: 0.404867406188647
Energy: 0.40049090942094584
Energy: 0.3927157985011086
Energy: 0.4040536839417606
Energy: 0.392621380935134
Energy: 0.390593259521739
Energy: 0.4765336181606858
Energy: 0.4126431694026824
Energy: 0.41336965431496786
Energy: 0.41010882224891754
Energy: 0.3905708859340716
Energy: 0.4112489499805206
Energy: 0.4754243090881625
Energy: 0.4097328452661803
Energy: 0.4109313653732885
Energy: 0.4059160861564078
Energy: 0.4096603348845482
Energy: 0.409993400050809
Energy: 0.4674220126340046
Energy: 0.4094385718672161
Energy: 0.40936814150044903
Energy: 0.4285227716460485
Energy: 0.39433184353579925
Energy: 0.406724447135265
Energy: 0.4753825035566741
Energy: 0.4095211183570317
Energy: 0.40967923417190394
Energy: 0.4203285708320187
Energy: 0.4094440601246084
Energy: 0.42928956851612415
Energy: 0.3917979800306391
Energy: 0.41034429970693126
Energy: 0.4131649574553507
Energy: 0.39536131460654833
Energy: 0.39424843950410027
Energy: 0.4063800057591595
Energy: 0.5367579740897456
Energy: 0.42129009335605727
Energy: 0.398720846496066
Energy: 0.38010070238620686
Energy: 0.4171508390491685
Energy: 0.3980989832151561

minimum gb energy = 0.3767758366090777 eV
minimum distance =  2.68539532550321 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.7971990840313031
Energy: 0.5051248568251556
Energy: 0.46529318476805087
Energy: 0.42307420053324724
Energy: 0.5220363146654102
Energy: 0.4229051686570218
Energy: 0.3792948848486134
Energy: 0.441903355177769
Energy: 0.4344797992925293
Energy: 0.3926003961071644
Energy: 0.4201374662023226
Energy: 0.39636697175512253
Energy: 0.39202147010646876
Energy: 0.3790296909118964
Energy: 0.37903333703478725
Energy: 0.3920724718877331
Energy: 0.37864075798881985
Energy: 0.3932744060830553
Energy: 0.39205640216182824
Energy: 0.3781631685033493
Energy: 0.39200078105658087
Energy: 0.39209187925124356
Energy: 0.38354054006626154
Energy: 0.3919490625745146
Energy: 0.40100869569048136
Energy: 0.4553888288508985
Energy: 0.43126620538356314
Energy: 0.40099270388808095
Energy: 0.4551562273569856
Energy: 0.4321323041588319
Energy: 0.3990296201583642
Energy: 0.43218892130655473
Energy: 0.4554050005776077
Energy: 0.45522338639375204
Energy: 0.4053909345546242
Energy: 0.4551438677250137
Energy: 0.4123498105658715
Energy: 0.3985164345160022
Energy: 0.3993226691105254
Energy: 0.4298957119148629
Energy: 0.3955053501817336
Energy: 0.3991367529243005
Energy: 0.4928370726916077
Energy: 0.39239887856637173
Energy: 0.3930259726935915
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Energy: 0.3920897405766858
Energy: 0.39123005302484565
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Energy: 0.449873620631671
Energy: 0.3798299162614006
Energy: 0.41471849215733225
Energy: 0.44287239506359777
Energy: 0.37971382122868846
Energy: 0.4165757001741106
Energy: 0.4573185171159832
Energy: 0.37951527899122056
Energy: 0.37953321982675836
Energy: 0.3791699532861569
Energy: 0.4536275026239913
Energy: 0.37951913395453796
Energy: 0.46344534961093814
Energy: 0.3790661312853119
Energy: 0.3793355134263413
Energy: 0.3821080300526517
Energy: 0.37934576604413245
Energy: 0.37899825032449463
Energy: 0.4360582774627304
Energy: 0.38554373819817483
Energy: 0.38604752943968634
Energy: 0.4221484604839108
Energy: 0.3858015702162848
Energy: 0.4233476716364195
Energy: 0.43614577191850395
Energy: 0.42233587914330134
Energy: 0.44886278305185207
Energy: 0.4019597656940554
Energy: 0.4220070816253551
Energy: 0.42314984674907624
Energy: 0.4291909206576423
Energy: 0.44182598711540655
Energy: 0.43461729778044755
Energy: 0.4302199722901369
Energy: 0.38474309584026734
Energy: 0.39659188012693003
Energy: 0.4367991545786598
Energy: 0.39293047171767387
Energy: 0.3930126792077598
Energy: 0.4144936242436992
Energy: 0.37922983111787256
Energy: 0.3927340587256711
Energy: 0.3918052887563905
Energy: 0.44187372344015635
Energy: 0.4308077466741574
Energy: 0.3923996893939018
Energy: 0.42199232526120994
Energy: 0.39227947376269917
Energy: 0.6738947371767071
Energy: 0.474104002136014
Energy: 0.4179673972755364
Energy: 0.4059745892804128
Energy: 0.4439817760059168
Energy: 0.45317176950608484

minimum gb energy = 0.37700529806027105 eV
minimum distance =  2.5938090218745 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6041918776473993
Energy: 0.43346307588861843
Energy: 0.43330877457662
Energy: 0.45707892746032014
Energy: 0.4445243060647386
Energy: 0.4334058398428037
Energy: 0.3430189617200858