Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=3.9946166351437573
cohesive_energy=3.28511992291482
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=[2.58878098345086e-19, 3.1784781153608994e-19, 3.58698509173188e-19, 3.8887871042784596e-19, 4.11756190584732e-19, 4.30099510867398e-19, 4.45099088514906e-19, 4.575143552517719e-19, 4.6786762066068e-19, 4.76557826723496e-19, 4.83966291479112e-19, 4.90801176999756e-19, 4.981391459834759e-19, 5.053265103635999e-19, 5.10791534862174e-19, 5.14788965564004e-19, 5.1788757517416e-19, 5.20353325013886e-19, 5.223111848606339e-19, 5.23826843956398e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26151602252332e-19, 5.2629259379612395e-19, 5.261548066056e-19, 5.257013906181779e-19, 5.2491311971425e-19, 5.238092200134239e-19, 5.22497037350178e-19, 5.211239719748399e-19, 5.19462514805382e-19, 5.16889419131178e-19, 5.131595519272259e-19, 5.08319376315912e-19, 5.0234646182436e-19, 4.95122247381654e-19, 4.86486515324394e-19, 4.76298274108788e-19, 4.64961272246604e-19, 4.53821338110402e-19, 4.40282945553102e-19, 4.21963657919946e-19, 3.9959086340277e-19, 3.73190196827718e-19, 3.43332033076494e-19, 3.0751537442342396e-19, 2.65628068504128e-19, 2.2974411843243e-19, 1.8321050027453399e-19, 1.3471597813428538e-19, 1.057688120171538e-19, 1.2599324788579918e-19, 2.92611927373956e-19, 9.455005079055898e-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: -6.30324000329931e-20 eV

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

Energy: 0.011738798999472408
Energy: 0.014385214494471311
Energy: 0.05769863043377595
Energy: 0.05923625330095931
Energy: 0.014051363008740866
Energy: 0.012530018288941248
Energy: 0.057380475596962494
Energy: 0.058073295335725465
Energy: 0.05879822786844409
Energy: 0.01362914011395135
Energy: 0.015141385968326024
Energy: 0.0594547499357117
Energy: 0.05736102325222131
Energy: 0.05774736818848313
Energy: 0.05946565112673719
Energy: 0.05802723057158458
Energy: 0.05928514387293378
Energy: 0.05728582258806914
Energy: 0.05953362179150383
Energy: 0.05877962997865318
Energy: 0.05942825430449481
Energy: 0.014041361878279902
Energy: 0.012026295980622843
Energy: 0.057835701549712314
Energy: 0.05757053073712733
Energy: 0.0588696427596395
Energy: 0.013556751118397237
Energy: 0.012010465094580355
Energy: 0.057669121397874654
Energy: 0.05787949398037634
Energy: 0.05895124876721426
Energy: 0.012802806593780504
Energy: 0.019806942212915353
Energy: 0.05863320094688406
Energy: 0.0580263085371733
Energy: 0.057730981097025305
Energy: 0.01292602829966509
Energy: 0.02070944806754414
Energy: 0.05908496891497304
Energy: 0.058008529459013865
Energy: 0.05712434020956054
Energy: 0.05862826431890044
Energy: 0.059779328231088266
Energy: 0.012837240128834703
Energy: 0.012837457212304384
Energy: 0.05832064667939588
Energy: 0.058635787903252336
Energy: 0.05929590719055221
Energy: 0.01346476827909464
Energy: 0.05882546370465801
Energy: 0.06004422019074305
Energy: 0.05741947624621285
Energy: 0.05844044198053799
Energy: 0.01243135802057072
Energy: 0.014397644742137707
Energy: 0.05845554825512174
Energy: 0.05748938225484954
Energy: 0.058766388162376594
Energy: 0.012779546696248678
Energy: 0.014927559948587169
Energy: 0.014853375881108232
Energy: 0.058464915230287046
Energy: 0.05723675653981469
Energy: 0.05793774171204191
Energy: 0.058505837136179524
Energy: 0.01472173593326006
Energy: 0.058743424862539514
Energy: 0.05850718527573208
Energy: 0.05824556868558657
Energy: 0.058060647281621754

minimum gb energy = 0.011738798999472408 eV
minimum distance =  2.7835646792704 Angstroms
sigma value = 3


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

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Energy: 0.42235814034041425
Energy: 0.44018148634740223
Energy: 0.41155205686631346
Energy: 0.4100239941441481
Energy: 0.4486519477757148
Energy: 0.41301123760925973
Energy: 0.44110259256921885
Energy: 0.44056798568738675
Energy: 0.4306179506366134
Energy: 0.3948940997904021
Energy: 0.4202461481543514
Energy: 0.44230680474474
Energy: 0.3900790034630054
Energy: 0.35792189921319534
Energy: 0.35791045248561454
Energy: 0.4487508754355835
Energy: 0.44069991554169424
Energy: 0.3902848076415194
Energy: 0.3585006000559094
Energy: 0.4374894678503094
Energy: 0.4692597218947093
Energy: 0.37285294732388913
Energy: 0.35898010580449324
Energy: 0.35806763526417273
Energy: 0.36016688587826684
Energy: 0.46876947097092825
Energy: 0.37380350509260085
Energy: 0.42371649401411765
Energy: 0.3583853099406552
Energy: 0.4242809524810423
Energy: 0.4960884539340734
Energy: 0.4301152797541888
Energy: 0.35945400231336705
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Energy: 0.35959683492831346
Energy: 0.4945438557961129
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Energy: 0.4988179863640405
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Energy: 0.4877610760315605
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Energy: 0.4317824054890908
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Energy: 0.4034490657355747
Energy: 0.470476792734878
Energy: 0.4315104022645889
Energy: 0.49055826822404
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Energy: 0.4695613822689467
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Energy: 0.4197594729412086
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Energy: 0.4678541596560171
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Energy: 0.44247406125403915
Energy: 0.4114616288424542
Energy: 0.46421989046300793
Energy: 0.4337314948139723
Energy: 0.41373589906308084
Energy: 0.44039110929066955
Energy: 0.4115603624638649
Energy: 0.40983719508727434
Energy: 0.4116007807232891
Energy: 0.41375726880878133
Energy: 0.44001030493183135
Energy: 0.4411284414525228
Energy: 0.430196459153871
Energy: 0.39464477483783467
Energy: 0.5046483199391797
Energy: 0.44161029210534397
Energy: 0.41151270720625044
Energy: 0.3581664203950942
Energy: 0.3586672971832817
Energy: 0.44761190683657076
Energy: 0.44027531681010773
Energy: 0.4420115755562398
Energy: 0.39473154679535954
Energy: 0.44533650393823676
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Energy: 0.44626458364526017
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Energy: 0.3733759236019739
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Energy: 0.37294753704953837
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Energy: 0.35977456660766644
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Energy: 0.48108774417420125
Energy: 0.44183683736145923
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Energy: 0.46936051283768715
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Energy: 0.4039967599965769
Energy: 0.357831440623957
Energy: 0.46817321162165587
Energy: 0.5158148196670466
Energy: 0.41106857711176026
Energy: 0.4042893776127762
Energy: 0.40321569328029816
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Energy: 0.4206457224526638
Energy: 0.4036524846876214
Energy: 0.4015873181097
Energy: 0.41493629989045466
Energy: 0.3691692931859186
Energy: 0.3966974190525522
Energy: 0.40436286464252985
Energy: 0.4030233880551425
Energy: 0.3579385199654607
Energy: 0.3689007765408159
Energy: 0.41459797536345727
Energy: 0.40498260771334976
Energy: 0.40297567021873093
Energy: 0.43788543019831105
Energy: 0.3686848834716766
Energy: 0.41268512798124507
Energy: 0.4034696061391514
Energy: 0.4035273991596151
Energy: 0.39918029274356587
Energy: 0.3686921197873669
Energy: 0.42508659954588957
Energy: 0.40426670447635815
Energy: 0.4038528020906879
Energy: 0.412811101519518
Energy: 0.4374899368564428
Energy: 0.3595406946415089
Energy: 0.3584534486386093
Energy: 0.40477831403680037
Energy: 0.5161814782550398
Energy: 0.43979028654527286
Energy: 0.5057043973555468
Energy: 0.4572381599964889
Energy: 0.4808931661619193
Energy: 0.47010204448267795
Energy: 0.4687684219674119
Energy: 0.4207831658428797
Energy: 0.3568854938786701
Energy: 0.41969564482893995
Energy: 0.4692929190764895
Energy: 0.4687630684766079
Energy: 0.4458461088306076
Energy: 0.3582738761837813
Energy: 0.44131637047352695
Energy: 0.43974478409156387
Energy: 0.4115742329016374
Energy: 0.35733616856256983
Energy: 0.3588668810054415
Energy: 0.4435936753206943
Energy: 0.41358877159741014
Energy: 0.49162344971183575
Energy: 0.4334074724830378
Energy: 0.41150852768461843
Energy: 0.4409148434873654
Energy: 0.41141918374802106
Energy: 0.4106667554196209
Energy: 0.41244348960088806
Energy: 0.41307690593616175
Energy: 0.4398063593141797
Energy: 0.41040326525260135
Energy: 0.43298827812647056

minimum gb energy = 0.3568854938786701 eV
minimum distance =  2.42946558531427 Angstroms
sigma value = 75


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

Energy: 0.9172740891726612
Energy: 0.4960713190895542
Energy: 0.4666773511769915
Energy: 0.4526955656838844
Energy: 0.506038581614097
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Energy: 0.418811625612032
Energy: 0.5470045543662428
Energy: 0.4756989129069883
Energy: 0.4519786732428097
Energy: 0.4752879175475843
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Energy: 0.436998560235771
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Energy: 0.4977408753806526
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Energy: 0.4464330615820013
Energy: 0.45664094819717976
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minimum gb energy = 0.40306730789009476 eV
minimum distance =  2.49830077485609 Angstroms
sigma value = 105


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

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Energy: 0.45199917718155036
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Energy: 0.4780559190803677
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Energy: 0.4524654212788552
Energy: 0.4505073170134139
Energy: 0.477146331174649
Energy: 0.47912930888170036
Energy: 0.4546673253559478
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Energy: 0.4501194843165475
Energy: 0.45410196321507323
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Energy: 0.45475292809600404
Energy: 0.4426024461558396
Energy: 0.45050873983462714
Energy: 0.45432342734803327
Energy: 0.4549225810871609
Energy: 0.45545206668940225
Energy: 0.455108666831362
Energy: 0.45374667620050846
Energy: 0.4590021139829192
Energy: 0.45480205666527684
Energy: 0.455537201503187
Energy: 0.4547286278958577
Energy: 0.4540770401967989
Energy: 0.4434309590394782
Energy: 0.4591188898799493
Energy: 0.4332034690297754
Energy: 0.45455185039136037
Energy: 0.45406232894395254
Energy: 0.45502665872110115
Energy: 0.4537232825860198
Energy: 0.43327644112241837
Energy: 0.45435525936000487
Energy: 0.4542752858316358
Energy: 0.45916701938836196
Energy: 0.4722167666113174
Energy: 0.43093600836371265
Energy: 0.4617083129667058
Energy: 0.48727370167646183
Energy: 0.45270828238014665
Energy: 0.472221403400306
Energy: 0.43066001742710536
Energy: 0.4614572713687179
Energy: 0.4881238121887168
Energy: 0.4518789181220866
Energy: 0.4915756406813343
Energy: 0.4492161705417571
Energy: 0.4929226071882683
Energy: 0.48670007766513723
Energy: 0.4800687830927351
Energy: 0.5018423339271378
Energy: 0.42778376939681645
Energy: 0.4794650569072743
Energy: 0.4850543069245168
Energy: 0.4796365934369864
Energy: 0.4543551423603774
Energy: 0.444878528814876
Energy: 0.43290322672402476
Energy: 0.43274279597364
Energy: 0.49248672389216
Energy: 0.4543510520833979
Energy: 0.4322958386129845
Energy: 0.432391522647367
Energy: 0.4335650996859788
Energy: 0.4925192916031041
Energy: 0.4804589451813804
Energy: 0.43297000843619415
Energy: 0.4327456904988177
Energy: 0.4329168956596763
Energy: 0.42994984363017946
Energy: 0.4278614655325412
Energy: 0.4321882758142785
Energy: 0.4324200463033039
Energy: 0.4322761052619519
Energy: 0.45881985198977054

minimum gb energy = 0.4272025226888716 eV
minimum distance =  2.5525207312164 Angstroms
sigma value = 165


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

Energy: 0.606240445756582
Energy: 0.42334838310477496
Energy: 0.42732596400354717
Energy: 0.45067466095427966
Energy: 0.4232149549735589
Energy: 0.6046572416596394
Energy: 0.42688788194861393
Energy: 0.42707645293184354
Energy: 0.4511686649351765
Energy: 0.4231357899374135
Energy: 0.4237992882582558
Energy: 0.45090036240285086
Energy: 0.42814787991632475
Energy: 0.451930939128823
Energy: 0.45018533944246353
Energy: 0.4506736331078744
Energy: 0.45004263141355727
Energy: 0.4512966600540328
Energy: 0.4525919698780379
Energy: 0.449564403761249
Energy: 0.45303346967676233
Energy: 0.4539080922128328
Energy: 0.45005746540906527
Energy: 0.4270873329902172
Energy: 0.47080546838363485
Energy: 0.4523154683758353
Energy: 0.4292340449262119
Energy: 0.45332122829329397
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Energy: 0.4858360545895142
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Energy: 0.4264167705801213
Energy: 0.4497240498922762
Energy: 0.4708121711442706
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Energy: 0.4532785890021261
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Energy: 0.452721805087528
Energy: 0.4501374595828559
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Energy: 0.45098694839700604
Energy: 0.45394337027225495
Energy: 0.453128603082807
Energy: 0.45411816987232567
Energy: 0.4718824461623122
Energy: 0.4267017183160985
Energy: 0.4527222578978152
Energy: 0.42968804572333685
Energy: 0.4706964176368316
Energy: 0.4542158752686639
Energy: 0.42703496855565487
Energy: 0.4527306182130157
Energy: 0.4296235547674939
Energy: 0.4709493499979918
Energy: 0.455241860657174
Energy: 0.4523624334875259
Energy: 0.4527332418780139
Energy: 0.45383996528889387
Energy: 0.4239603211399083
Energy: 0.45483189706801175
Energy: 0.45110303224566184
Energy: 0.45347628426342523
Energy: 0.45365894735635537
Energy: 0.458085701331178
Energy: 0.461981337955343
Energy: 0.46005858014452417
Energy: 0.42848365190382987
Energy: 0.4500199420025805
Energy: 0.4294876244970844
Energy: 0.4575676226884434
Energy: 0.4525524324821772
Energy: 0.4289984932140534
Energy: 0.45057147405555675
Energy: 0.42917242186304455
Energy: 0.4507740661293962
Energy: 0.45064221694906254
Energy: 0.4268699213933511
Energy: 0.42503751986585114
Energy: 0.4634312847590057
Energy: 0.4856299208988498
Energy: 0.4502117386100256
Energy: 0.4269566301348136
Energy: 0.4240223387583917
Energy: 0.4496331196010455
Energy: 0.42371488634889143
Energy: 0.45424183613663094
Energy: 0.45102683242516833
Energy: 0.42753471022589556
Energy: 0.4514704974152987
Energy: 0.4236776358761168
Energy: 0.4516552980174244
Energy: 0.45101034917647065
Energy: 0.4274608451798882
Energy: 0.45133631069362795

minimum gb energy = 0.4222372454016937 eV
minimum distance =  2.52403882883187 Angstroms
sigma value = 41


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

Energy: 0.4008338721282889
Energy: 0.3934192128048304
Energy: 0.3937501249107713
Energy: 0.3836687070817752
Energy: 0.37388913445916894
Energy: 0.41454432779155437
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Energy: 0.43104900479924496
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Energy: 0.43186755127332066
Energy: 0.4011029719539905
Energy: 0.42868297894480945
Energy: 0.43562927862072376
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Energy: 0.4281966196170383
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Energy: 0.4330260290637577
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Energy: 0.39925740236496204
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Energy: 0.4044105739774042
Energy: 0.3868376471105242
Energy: 0.40538364530738835
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Energy: 0.42541135404111574
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Energy: 0.41267662448284703
Energy: 0.3964964383004844
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Energy: 0.38862655117143874
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Energy: 0.4099539533996296
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Energy: 0.4166409361304076
Energy: 0.4382578547507786
Energy: 0.4209403902573751
Energy: 0.3936360556657909
Energy: 0.4142627801837001
Energy: 0.4131599604165732
Energy: 0.4166155543685111
Energy: 0.40972961305085076
Energy: 0.3983937270026268
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Energy: 0.4186779146332201
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Energy: 0.4277741114819281
Energy: 0.4191514433272429
Energy: 0.4194298557177663
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Energy: 0.4278860053108889
Energy: 0.4242797334064943
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Energy: 0.4186750970804102
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Energy: 0.4281475046705343
Energy: 0.44647450217447393
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Energy: 0.42549100555801905
Energy: 0.4288173653886889
Energy: 0.480411320832493
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Energy: 0.4248816740196904
Energy: 0.38702273862770026
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Energy: 0.4064798467091874
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Energy: 0.423852978444969
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Energy: 0.41883586415233937
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Energy: 0.4231224183110144
Energy: 0.425799407782758
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Energy: 0.38639330767955804
Energy: 0.422649980996624
Energy: 0.4221681541132292
Energy: 0.4309350552538953
Energy: 0.409923745407102
Energy: 0.4008698864964461
Energy: 0.4215454782749322
Energy: 0.43174511677251376
Energy: 0.3817741279396271
Energy: 0.38092447685782754
Energy: 0.40706793759871296
Energy: 0.4038176215208173
Energy: 0.4281216989161652
Energy: 0.4087619948254003
Energy: 0.40821978612353776
Energy: 0.39708181768518763
Energy: 0.39885138154745475
Energy: 0.40220719656704285
Energy: 0.3900739938393427
Energy: 0.38238766768684535
Energy: 0.39464856942641713
Energy: 0.39851176398121657
Energy: 0.417978917616952
Energy: 0.39295554070518224
Energy: 0.4097952963135995
Energy: 0.3955601474906735
Energy: 0.4044750936083476
Energy: 0.42897846812229845
Energy: 0.4027555912699692
Energy: 0.39321171145453604
Energy: 0.38080961658073215
Energy: 0.4166133334449521
Energy: 0.4142294294936683
Energy: 0.4041128805239889
Energy: 0.3809615974929771
Energy: 0.4119203058773348
Energy: 0.41918307454534204
Energy: 0.39644279775527685
Energy: 0.4074423039686209
Energy: 0.41137553518420006
Energy: 0.38155476991171694
Energy: 0.41087468557068035
Energy: 0.3881819957941956
Energy: 0.4004964010488104
Energy: 0.4034574378176066
Energy: 0.40420277815575056

minimum gb energy = 0.37388913445916894 eV
minimum distance =  2.55436780883688 Angstroms
sigma value = 185


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

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Energy: 0.378889843647064
Energy: 0.2897746695143443
Energy: 0.2794928924596003
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Energy: 0.25653307499148864
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Energy: 0.24855785806124098
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Energy: 0.2939891773869071
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Energy: 0.26113697853670514
Energy: 0.2518010485864353
Energy: 0.2525719309529269
Energy: 0.2398753233175214
Energy: 0.26341821981119296
Energy: 0.2635336825277856
Energy: 0.28817525866608
Energy: 0.2938829108192951
Energy: 0.25517042155628805
Energy: 0.2585832139294987
Energy: 0.24195211295857622
Energy: 0.2535049125117409
Energy: 0.25878015317509934
Energy: 0.26854194944260645
Energy: 0.31966828826325355
Energy: 0.26301772787725597
Energy: 0.2595352681638202
Energy: 0.2630147873133666
Energy: 0.2505366438744703
Energy: 0.24767245671162472
Energy: 0.2406615880175716
Energy: 0.25410448434311056
Energy: 0.2645655150896768
Energy: 0.24394184843251596
Energy: 0.2762636065778654
Energy: 0.2517473811668913
Energy: 0.381443069419421
Energy: 0.24799180133075233
Energy: 0.2505374771634332
Energy: 0.2400414932239912
Energy: 0.2808487940164112
Energy: 0.18897813743323166
Energy: 0.28374970181227765
Energy: 0.27801472968917723
Energy: 0.24885328751522923
Energy: 0.379874202400293

minimum gb energy = 0.18475168857743451 eV
minimum distance =  2.61612815998436 Angstroms
sigma value = 33


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

Energy: 0.3662787828648008
Energy: 0.35971391378286827
Energy: 0.3665244911618061
Energy: 0.366586512007891
Energy: 0.35404479656070786
Energy: 0.3528971454953461
Energy: 0.3560131960006825
Energy: 0.37275434452086426
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Energy: 0.3780216256320642
Energy: 0.36617601257385257
Energy: 0.36687282801974047
Energy: 0.36568747779985783
Energy: 0.36859526778341767
Energy: 0.35733121675784135
Energy: 0.36130844137196044
Energy: 0.37326478753259745
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Energy: 0.37383147508044356
Energy: 0.3567818964918417
Energy: 0.36888391354693023
Energy: 0.3757438487242429
Energy: 0.3699465354102738
Energy: 0.3689656396779554
Energy: 0.3566622417067058
Energy: 0.3566009467749068
Energy: 0.37633331201897696
Energy: 0.37041765463837595
Energy: 0.3698275192035342
Energy: 0.3676117548666362
Energy: 0.3670663324034316
Energy: 0.37133286509803315
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Energy: 0.35310468560468067
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Energy: 0.37074266367875197
Energy: 0.36400718556916956
Energy: 0.36744753038498645
Energy: 0.3584064509135814
Energy: 0.37862644362323283
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Energy: 0.368723802719618
Energy: 0.3667176888820403
Energy: 0.4009838007401623
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Energy: 0.36578979673998435
Energy: 0.3812428954236789
Energy: 0.3619918367287263
Energy: 0.3666775235584132
Energy: 0.3611734405515695
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Energy: 0.36451020946799534
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Energy: 0.35710765078407564
Energy: 0.3696354786445939
Energy: 0.37593030270553085
Energy: 0.37003509483809915

minimum gb energy = 0.3515551952543108 eV
minimum distance =  2.53683316718284 Angstroms
sigma value = 219


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

Energy: 0.4729650394408848
Energy: 0.4773892850248167
Energy: 0.472336813217894
Energy: 0.47242781796994776
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Energy: 0.47208456570387985
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Energy: 0.4745446407404685
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Energy: 0.47222616898082964
Energy: 0.4810886168732512
Energy: 0.47535169169500263
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Energy: 0.4775997475375244
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Energy: 0.4823587936978563
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Energy: 0.47211699443047506
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Energy: 0.47477237822078205
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Energy: 0.48556657079301413
Energy: 0.4741141612362424
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Energy: 0.4707533554318205
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Energy: 0.4703013277155174
Energy: 0.48608795450769915
Energy: 0.4706352722279449
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Energy: 0.47599097004191543
Energy: 0.4757427237891823
Energy: 0.48691038388880487
Energy: 0.4743190713334716
Energy: 0.4709348069933898
Energy: 0.5000664267809245
Energy: 0.48289849569680626
Energy: 0.47034621447000363
Energy: 0.4821978003831639
Energy: 0.4707785492361629
Energy: 0.4717992292670805
Energy: 0.47409738032189647
Energy: 0.47102958714933035
Energy: 0.4664128765310266
Energy: 0.47480790383354254
Energy: 0.4721934108352519
Energy: 0.4729495644974173
Energy: 0.472382915934243
Energy: 0.48145854963312945
Energy: 0.4748076170328586
Energy: 0.4719349380551861
Energy: 0.47209698892282814
Energy: 0.4715621264636207

minimum gb energy = 0.4664128765310266 eV
minimum distance =  2.5541739663191 Angstroms
sigma value = 15


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

Energy: 0.5382831994940643
Energy: 0.5512195639536126
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minimum gb energy = 0.5344203456927339 eV
minimum distance =  2.53688592896151 Angstroms
sigma value = 293


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

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Energy: 0.5459777361385341
Energy: 0.5390130205968636
Energy: 0.5351420464124743
Energy: 0.542732497318476
Energy: 0.5361731047655695
Energy: 0.5445949888635422
Energy: 0.5379464099826254
Energy: 0.5343721521301577
Energy: 0.5421393615754497
Energy: 0.536892605026366
Energy: 0.5420913452077836
Energy: 0.5358233190070496
Energy: 0.5506059730975477
Energy: 0.5390666464770254
Energy: 0.5409799405932209
Energy: 0.541504107000093
Energy: 0.5363059379387033
Energy: 0.5507460768703198
Energy: 0.5387044959122766
Energy: 0.541546279741135
Energy: 0.562847338750624
Energy: 0.5506140816247073
Energy: 0.5417613001459892
Energy: 0.5476071732948745
Energy: 0.5568120529557676
Energy: 0.5524417124769079
Energy: 0.5521760415804514
Energy: 0.54191014187713
Energy: 0.547494128398075
Energy: 0.5568014256086192
Energy: 0.5428522546908576
Energy: 0.5631899907699928
Energy: 0.5642880389433974
Energy: 0.5393123575544309
Energy: 0.5589395914004733
Energy: 0.5416845833668215
Energy: 0.5720249533842602
Energy: 0.5640677049038334
Energy: 0.5420071604196479
Energy: 0.5446153972578766
Energy: 0.5590956605772555
Energy: 0.5573395681929911
Energy: 0.5352712344485314
Energy: 0.5397356671642624
Energy: 0.5574005663727756
Energy: 0.5414648319913579
Energy: 0.5445987973213056
Energy: 0.5348050419017385
Energy: 0.5402502546336148
Energy: 0.556988807457074
Energy: 0.5240569574928813
Energy: 0.5513330659378274
Energy: 0.5360737837899651
Energy: 0.5393994070205252
Energy: 0.5499874576272765
Energy: 0.5244483397896672
Energy: 0.5623909153821515
Energy: 0.5364847222651429
Energy: 0.5400947725733958
Energy: 0.5500305264771717
Energy: 0.5429427553334465
Energy: 0.5339323538365752
Energy: 0.5347678214951711
Energy: 0.5397172715921558
Energy: 0.5367294864804593
Energy: 0.5437340546304629
Energy: 0.5342925865565132
Energy: 0.5349510610764874
Energy: 0.5398836460001972
Energy: 0.5360690569706191
Energy: 0.5489050306986114
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Energy: 0.5353522820226093
Energy: 0.5652143464434785
Energy: 0.5724741085282495
Energy: 0.5488006394019792
Energy: 0.5343436328801685
Energy: 0.5352633196618918
Energy: 0.5676873634286628
Energy: 0.5381374787222813
Energy: 0.5697206310623506
Energy: 0.5248257839639336
Energy: 0.5328170309666422
Energy: 0.5476313248542969
Energy: 0.5475325250695459
Energy: 0.5696215895235035
Energy: 0.5249714897590427
Energy: 0.533700647550606
Energy: 0.5481589472092326
Energy: 0.5471637880116916
Energy: 0.554581071355204
Energy: 0.5343686799260295
Energy: 0.5616848926360768
Energy: 0.535193195493908
Energy: 0.5357700866472982
Energy: 0.5557925898710835
Energy: 0.5347643180594817
Energy: 0.5278237401355985
Energy: 0.5348360328763878
Energy: 0.5358715445092405
Energy: 0.5338144111715254
Energy: 0.5368299296585117
Energy: 0.5424008950580574
Energy: 0.5386689949175534
Energy: 0.5355948354695156
Energy: 0.5345830895404032
Energy: 0.5353476320109195
Energy: 0.5418154180743119
Energy: 0.5386324016642388
Energy: 0.5354173965128006
Energy: 0.5434843398875667
Energy: 0.5331685019083079
Energy: 0.5458405984851925
Energy: 0.5343037216196109
Energy: 0.5465299978816075
Energy: 0.5346101548433926
Energy: 0.533499221506288
Energy: 0.5426993333869102
Energy: 0.5346345104182127
Energy: 0.5468924014166816
Energy: 0.5515406211910401
Energy: 0.5422094831681378
Energy: 0.5580243837825759
Energy: 0.551475559741814
Energy: 0.542670192190184
Energy: 0.5360698805787822
Energy: 0.5568144300616028
Energy: 0.5589827545294876
Energy: 0.5509567453089974
Energy: 0.5411690005313285
Energy: 0.5481891614704552
Energy: 0.5426891604013072
Energy: 0.5569625407572989
Energy: 0.5486066665886935
Energy: 0.5642742904701822
Energy: 0.5476534448913551
Energy: 0.5578528459122453
Energy: 0.5576318573919348
Energy: 0.5481732205184796
Energy: 0.5687574106965453
Energy: 0.5394927259082469
Energy: 0.5353001637425084
Energy: 0.5402668509104706
Energy: 0.5413272906040186
Energy: 0.5427158372744489
Energy: 0.5395780180674941
Energy: 0.536504433889053
Energy: 0.5512143375041081
Energy: 0.5419187989573587
Energy: 0.5429558004676401
Energy: 0.5347547963952708
Energy: 0.5430196322404298
Energy: 0.5235239581627826
Energy: 0.5233942017012416
Energy: 0.5408705527381021
Energy: 0.5355481934756425
Energy: 0.5423245383609396
Energy: 0.5234583331347344
Energy: 0.5234875552251919
Energy: 0.5409835843439257
Energy: 0.538905972599244
Energy: 0.5457352167601797
Energy: 0.536114352956649
Energy: 0.5414397634986019
Energy: 0.5358469699029857
Energy: 0.5397817553113885
Energy: 0.5453274958223835
Energy: 0.5542355352016161
Energy: 0.5407259511752744
Energy: 0.5357802734193232
Energy: 0.5568660523823764
Energy: 0.5375152224025191
Energy: 0.5341881951580691
Energy: 0.555371281396189
Energy: 0.5351517701401242
Energy: 0.5570242212320893
Energy: 0.5375036256871425
Energy: 0.5385750285992885
Energy: 0.5571081183234019
Energy: 0.536483551721426
Energy: 0.5397325436306346
Energy: 0.5417074245143206
Energy: 0.5519691098151464
Energy: 0.5370507633409187
Energy: 0.52683194185664
Energy: 0.5489752260949082
Energy: 0.5390843495168509
Energy: 0.559602112186381
Energy: 0.5525333513993723
Energy: 0.5250687652169267
Energy: 0.5668926664677246
Energy: 0.5338801259609662
Energy: 0.5346531374447953
Energy: 0.5493276566399823
Energy: 0.5601485462976521
Energy: 0.5397465195209065
Energy: 0.5338153792319015
Energy: 0.538323163491158
Energy: 0.5513294501888878
Energy: 0.5251586669583685
Energy: 0.5408790443988896
Energy: 0.5385414697866621
Energy: 0.5361630139278851
Energy: 0.5434182261769908
Energy: 0.5361222754395945
Energy: 0.539796860717626
Energy: 0.5383232264492561
Energy: 0.5352156176645128
Energy: 0.5424307225327347
Energy: 0.550543603386327
Energy: 0.5420290223074318
Energy: 0.5484558122367456
Energy: 0.5474551614996483
Energy: 0.5333495161753915
Energy: 0.5346770618083341
Energy: 0.5413689021357074
Energy: 0.5485443191982526
Energy: 0.5480255152184048
Energy: 0.5331032740806645
Energy: 0.5435345080254801
Energy: 0.5408128486327921
Energy: 0.5506562895443662
Energy: 0.5640949775140038
Energy: 0.5370687638873148
Energy: 0.5567887530739662
Energy: 0.5427558457003744
Energy: 0.5515036125135748
Energy: 0.5639057326082492
Energy: 0.5562307744415322
Energy: 0.5568184300619745
Energy: 0.5420386461546832
Energy: 0.5483404225927595
Energy: 0.5422268981925799
Energy: 0.5409185891624504
Energy: 0.5573801551439364
Energy: 0.5416078408355062
Energy: 0.5633867299542832
Energy: 0.5762759342667095
Energy: 0.5414519222079265
Energy: 0.5579692960723748
Energy: 0.5235057236354588
Energy: 0.5441908638712439
Energy: 0.5382214021062658
Energy: 0.5393825317023726
Energy: 0.5576608442776871
Energy: 0.549302712737927
Energy: 0.5434646741450933
Energy: 0.5380199249867434
Energy: 0.5392689106401174
Energy: 0.5687272917415436

minimum gb energy = 0.523381858965904 eV
minimum distance =  2.54617128161733 Angstroms
sigma value = 293


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

Energy: 0.5231563065776574
Energy: 0.5247653748598691
Energy: 0.5632194167302325
Energy: 0.5256327698608372
Energy: 0.5242703475524924
Energy: 0.5198596731826954
Energy: 0.5258970533426156
Energy: 0.5623686292245993
Energy: 0.5258524361777015
Energy: 0.5238132148586377
Energy: 0.5182573143678594
Energy: 0.525768867483381
Energy: 0.5257723536111439
Energy: 0.5246575615245961
Energy: 0.5264487952558651
Energy: 0.5588782031736361
Energy: 0.5257502891586732
Energy: 0.5217162587072981
Energy: 0.5246504008700048
Energy: 0.5257875114863447
Energy: 0.5248835821573216
Energy: 0.5252228662442872
Energy: 0.5260397237763831
Energy: 0.5260145270836591
Energy: 0.5594792693394631
Energy: 0.5247157161369407
Energy: 0.5223790373547859
Energy: 0.5257727180112021
Energy: 0.5616644404410781
Energy: 0.5591495601374119
Energy: 0.5629983445279896
Energy: 0.5181359491470162
Energy: 0.5184777601392552
Energy: 0.5249988825176268
Energy: 0.5591698899286907
Energy: 0.5623976556093708
Energy: 0.5185122054118801
Energy: 0.5219197249104148
Energy: 0.5246960946565077
Energy: 0.5188907689831995
Energy: 0.5252442436493903
Energy: 0.524273622067389
Energy: 0.5187132047024775
Energy: 0.522915887230271
Energy: 0.5255488033469644
Energy: 0.5253366343294185
Energy: 0.5191686511391503
Energy: 0.5180439366623952
Energy: 0.5223645326052905
Energy: 0.5228485965980815
Energy: 0.525958271003671
Energy: 0.5623134595030775
Energy: 0.5259733935225659
Energy: 0.5251777483872607
Energy: 0.5255493471603438
Energy: 0.5258740093838057
Energy: 0.5619471166062958
Energy: 0.5259531783580066
Energy: 0.5255667536142373
Energy: 0.5263656488716814
Energy: 0.5632930613620694
Energy: 0.5184662975036454
Energy: 0.5253940059728051
Energy: 0.5224647126959828
Energy: 0.522527066621526
Energy: 0.5632948709717398
Energy: 0.5177194722104386
Energy: 0.5258955930545572
Energy: 0.5260913785397555
Energy: 0.5222677670167055
Energy: 0.5256633792032747
Energy: 0.5593038596689398
Energy: 0.5256544606280529
Energy: 0.5192936462999412
Energy: 0.5241164072717724
Energy: 0.5256921154846061
Energy: 0.5602341979951634
Energy: 0.5258732743028556
Energy: 0.5207945991323345
Energy: 0.5250191027649366
Energy: 0.5253421995376929
Energy: 0.5189586210156375
Energy: 0.5248849751016201
Energy: 0.5179730381032357
Energy: 0.5614979951341948
Energy: 0.5253344677436613
Energy: 0.5259803787333631
Energy: 0.5252963180926395
Energy: 0.5178555291376093
Energy: 0.5630375736968586
Energy: 0.5256030146651102
Energy: 0.5260351186871696
Energy: 0.5600395339833615
Energy: 0.5636765066426865
Energy: 0.5256948348579158
Energy: 0.5268957333682934
Energy: 0.526885589058841
Energy: 0.5601466556959421
Energy: 0.5296663738419486
Energy: 0.5252015951711569
Energy: 0.5180334864997641
Energy: 0.5298485251222175
Energy: 0.5286924197185978
Energy: 0.5642465550224677
Energy: 0.5629330881327401
Energy: 0.5181807856507393
Energy: 0.5262410387546931
Energy: 0.5176816762785332
Energy: 0.5630618436802823
Energy: 0.5593786870339432
Energy: 0.5230418887554968
Energy: 0.5263982894293732
Energy: 0.5632563598157786
Energy: 0.5255171673922656
Energy: 0.5243032915076051
Energy: 0.5202404063553148
Energy: 0.5259883587283937
Energy: 0.5628236283532951
Energy: 0.5257973096327327
Energy: 0.5244040663956638
Energy: 0.5619122787516834
Energy: 0.525727050344815
Energy: 0.5257503250433353
Energy: 0.5248237597272486
Energy: 0.5263405498004078
Energy: 0.5591091542995245
Energy: 0.5256743034667889
Energy: 0.5231807212215794
Energy: 0.5247858981111148
Energy: 0.5259267915451722
Energy: 0.5248040207362255
Energy: 0.5253125851527657
Energy: 0.5262463963397589
Energy: 0.56277729725707
Energy: 0.5595698403421635
Energy: 0.5245636737782707
Energy: 0.522496939094718
Energy: 0.5258215387704446
Energy: 0.5631205496664656
Energy: 0.5591651096340475
Energy: 0.5630699193697697
Energy: 0.5179837274828912
Energy: 0.5183221473371965
Energy: 0.5250337871764124
Energy: 0.5591412982367633
Energy: 0.5625434954949329
Energy: 0.5183106877317124
Energy: 0.5210019307149419
Energy: 0.5247526995155093
Energy: 0.5592303575856579
Energy: 0.5251650611754642
Energy: 0.5246541076324697
Energy: 0.5187274369816013
Energy: 0.5230219143211021
Energy: 0.5255425335881053
Energy: 0.5251899275009255
Energy: 0.5197960349487311
Energy: 0.5181886943501626
Energy: 0.5222867606440014
Energy: 0.5257845979888028
Energy: 0.5259991468798522
Energy: 0.5626273559462517
Energy: 0.5258238936232038
Energy: 0.5250973935594958
Energy: 0.5262355564401969
Energy: 0.525769898772333
Energy: 0.5619268910586311
Energy: 0.52587174865575
Energy: 0.5253870053984198
Energy: 0.5239816786212762
Energy: 0.5635085086428104
Energy: 0.5186575633965954
Energy: 0.5256842960221769
Energy: 0.5224547331973006
Energy: 0.5226552030087908
Energy: 0.563305101593136
Energy: 0.5178001909259858
Energy: 0.526102667669217
Energy: 0.5229741262929255
Energy: 0.5226245920782906
Energy: 0.5257624270782515
Energy: 0.5591599486425167
Energy: 0.563687782173235
Energy: 0.5190742335039654
Energy: 0.5242829543787978
Energy: 0.5257031959236481
Energy: 0.5601236341729477
Energy: 0.5257361651838982
Energy: 0.5194091640888061
Energy: 0.5250684532757002
Energy: 0.5255033746158461
Energy: 0.5193501766400409
Energy: 0.5247916848195231
Energy: 0.5180147033133713
Energy: 0.5595295526723418
Energy: 0.5253438607943461
Energy: 0.5259423509661197
Energy: 0.5254077063581583
Energy: 0.5178197776865223
Energy: 0.525803400842375
Energy: 0.5256163782481823
Energy: 0.5260475934041452
Energy: 0.5603173722851872
Energy: 0.5635978690383755
Energy: 0.5254886575900701
Energy: 0.5264124539516155
Energy: 0.5279955814110744
Energy: 0.5608059496799533
Energy: 0.525573229950075
Energy: 0.5252709250724307
Energy: 0.5179044073877681
Energy: 0.5299554373503471
Energy: 0.5277784753407366
Energy: 0.5632693060068148
Energy: 0.5625922312433147
Energy: 0.5181220178861458
Energy: 0.5262734274488664
Energy: 0.5174980043772962
Energy: 0.5630035172796354
Energy: 0.5594606151483666

minimum gb energy = 0.5174980043772962 eV
minimum distance =  2.54283102366758 Angstroms
sigma value = 15


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

Energy: 0.5150523359686263
Energy: 0.5628306081351983
Energy: 0.572127767397303
Energy: 0.5476881693378386
Energy: 0.5597466714080138
Energy: 0.51404988386406
Energy: 0.5866555783731986
Energy: 0.5722199974456669
Energy: 0.5480423611015341
Energy: 0.5155811993465417
Energy: 0.5007127287613768
Energy: 0.5611449367071836
Energy: 0.5142236745669801
Energy: 0.5143197627891617
Energy: 0.5685805333195835
Energy: 0.5082122648024512
Energy: 0.5610237656669158
Energy: 0.5140802061464073
Energy: 0.5582997902831138
Energy: 0.5343413289917229
Energy: 0.560617425155961
Energy: 0.5181782675862493
Energy: 0.5090586394088842
Energy: 0.532246849178947
Energy: 0.5109282924267082
Energy: 0.5721774335460694
Energy: 0.5185568422092233
Energy: 0.5082862622932852
Energy: 0.5318245365651068
Energy: 0.508237863681546
Energy: 0.5091984079084373
Energy: 0.5084118425995198
Energy: 0.5307648431524801
Energy: 0.5746228561790395
Energy: 0.5084564506047887
Energy: 0.508520057282951
Energy: 0.533239168785695
Energy: 0.5309928800799811
Energy: 0.5746684658774979
Energy: 0.5483942494303232
Energy: 0.5618660219640238
Energy: 0.5439619337577902
Energy: 0.5086064623066924
Energy: 0.5080394311768961
Energy: 0.5763312616029097
Energy: 0.5740171580246068
Energy: 0.5439235114411861
Energy: 0.5075250984028399
Energy: 0.5099378116679973
Energy: 0.5774677552448249
Energy: 0.5544002163236935
Energy: 0.5082157744937543
Energy: 0.5084143535745046
Energy: 0.5822895919099191
Energy: 0.6410546076792735
Energy: 0.5102897275635503
Energy: 0.5080323810996873
Energy: 0.5082663332735587
Energy: 0.5619932772625021
Energy: 0.6426625058784182
Energy: 0.5087267587342866
Energy: 0.5100116581674848
Energy: 0.5088847653617219
Energy: 0.5056455397155224
Energy: 0.5807215767472363
Energy: 0.510930948114746
Energy: 0.5091009112537208
Energy: 0.5087862306210645
Energy: 0.5255477672686996
Energy: 0.563021302619859
Energy: 0.5473662197459314
Energy: 0.5095653461492754
Energy: 0.5394951119913161
Energy: 0.5085540310685295
Energy: 0.5610538071306375
Energy: 0.5097975574694956
Energy: 0.5093840073360361
Energy: 0.5595824288393092
Energy: 0.5104794292028537
Energy: 0.5464076042090451
Energy: 0.5138770102035505
Energy: 0.640639213350097
Energy: 0.5275767660259078
Energy: 0.5071217158034304
Energy: 0.5083722704242828
Energy: 0.5134051858179127
Energy: 0.6394403554445243
Energy: 0.5274789925602634
Energy: 0.5071870975935268
Energy: 0.5087063067482466
Energy: 0.5276620446518746
Energy: 0.5159378599310405
Energy: 0.5104512546871488
Energy: 0.5101675669200774
Energy: 0.509891144991237
Energy: 0.5163453549878508
Energy: 0.5148243301841267
Energy: 0.5106461620395749
Energy: 0.5116288623102699
Energy: 0.5099426033395654
Energy: 0.578116359960299
Energy: 0.5906345113441757
Energy: 0.5079999827156508
Energy: 0.5074648294618569
Energy: 0.5075752646824692
Energy: 0.578832603672006
Energy: 0.570077139828549
Energy: 0.5084972943003763
Energy: 0.5074491149145424
Energy: 0.50781913340931
Energy: 0.5796159308749568
Energy: 0.5613689404597106
Energy: 0.5461161303819088
Energy: 0.5081656502247126
Energy: 0.5826954383884886
Energy: 0.5790814834946209
Energy: 0.5610157307765914
Energy: 0.5083070837167183
Energy: 0.5092806980402558
Energy: 0.5831781583103781
Energy: 0.5745293054277008
Energy: 0.5627666113886988
Energy: 0.5132171741448074
Energy: 0.5642898469218163
Energy: 0.5322063288874106
Energy: 0.5748899366948819
Energy: 0.5629507165217237
Energy: 0.5129253397072838
Energy: 0.540773503868227
Energy: 0.5424361352900638
Energy: 0.5176216886855434
Energy: 0.5610751124030539
Energy: 0.5775259908136007
Energy: 0.5621281093004846
Energy: 0.5595958524273439
Energy: 0.5169458507001
Energy: 0.5622477273302425
Energy: 0.5010529867194379
Energy: 0.5612752482853561
Energy: 0.5600377446030752
Energy: 0.5481788942408347
Energy: 0.5093250005867145
Energy: 0.5595566528184495
Energy: 0.5350701241862207
Energy: 0.5613683682898228
Energy: 0.5481411861549136
Energy: 0.5086567763419028
Energy: 0.5589893430649082
Energy: 0.5345341679052577
Energy: 0.5588800784125193
Energy: 0.5663970468400636
Energy: 0.5601555614874782
Energy: 0.5095555408420762
Energy: 0.5115346273511315
Energy: 0.5391995349555567
Energy: 0.5783096638908984
Energy: 0.5782080137051321
Energy: 0.5086996510155938
Energy: 0.5112424076641158
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Energy: 0.5312029327991079
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Energy: 0.510287767566679
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Energy: 0.5077031225638351
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Energy: 0.5763279140857421
Energy: 0.5519773649088494
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Energy: 0.5078123317671848
Energy: 0.5458185023703768
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Energy: 0.5473017428741677
Energy: 0.5454353087345369
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Energy: 0.640011963235849
Energy: 0.5135675140468564
Energy: 0.5081111773861482
Energy: 0.5085618410169018
Energy: 0.5554340414211058
Energy: 0.6401641042157253
Energy: 0.5142472551607166
Energy: 0.5160244671120686
Energy: 0.5108055133085534
Energy: 0.511818435409856
Energy: 0.5098252642141222
Energy: 0.5091825106677031
Energy: 0.5117092684132628
Energy: 0.5089632371059646
Energy: 0.5099506575802455
Energy: 0.5298373379000614
Energy: 0.5108408186110382
Energy: 0.5076500428546098
Energy: 0.5326848259440269
Energy: 0.5785490347864128
Energy: 0.5766764922345818
Energy: 0.5902646746472641
Energy: 0.5109124065624325
Energy: 0.5320956830198309
Energy: 0.578121032211434
Energy: 0.5605220254448873
Energy: 0.5615214898677484
Energy: 0.5198663415034162
Energy: 0.6027561164955298
Energy: 0.5124742112283595
Energy: 0.5220320365794637
Energy: 0.5030056599728916
Energy: 0.515005982491565
Energy: 0.6067250106339099
Energy: 0.5079050877077937
Energy: 0.5095661153862759
Energy: 0.5014672952630083

minimum gb energy = 0.5007127287613768 eV
minimum distance =  2.5278776219968 Angstroms
sigma value = 437


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

Energy: 0.520546538184319
Energy: 0.4645477444548126
Energy: 0.5382883378258364
Energy: 0.5314159440228505
Energy: 0.4681513102370326
Energy: 0.5178042141837104
Energy: 0.49752301291398227
Energy: 0.5397569487065813
Energy: 0.5305369920653196
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Energy: 0.46607322800339823
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Energy: 0.4847787549797374
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Energy: 0.4861919702166847
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Energy: 0.5106197980053802
Energy: 0.4873178009610312
Energy: 0.4905263464086279
Energy: 0.5185293789490805
Energy: 0.4652703579339397
Energy: 0.4841615698740979
Energy: 0.48461867307653633
Energy: 0.5358321621479532
Energy: 0.5233210549302276
Energy: 0.4647949854269462
Energy: 0.4847048395803345
Energy: 0.4879234090688773
Energy: 0.5355991598038028
Energy: 0.4855899987381199
Energy: 0.4907545662707904
Energy: 0.49536256646005283
Energy: 0.48896741874052907
Energy: 0.48620170243301364
Energy: 0.48490018122559503
Energy: 0.4903863469780318
Energy: 0.4952677208872023
Energy: 0.49289366865764356
Energy: 0.4854767766548605
Energy: 0.4711163637483168
Energy: 0.47676680198647653
Energy: 0.4647468830696974
Energy: 0.46995878307198957
Energy: 0.49618019496914223
Energy: 0.472246116496343
Energy: 0.4844444123112301
Energy: 0.4655996067665728
Energy: 0.5699104388589569
Energy: 0.496243387918016
Energy: 0.46658564983351763
Energy: 0.4640390743208541
Energy: 0.4673531600547912
Energy: 0.5113409890818312
Energy: 0.4642803926433929
Energy: 0.46738029456852054
Energy: 0.4638802667235512
Energy: 0.4961351349080636
Energy: 0.5116189640817953
Energy: 0.4865259731615052
Energy: 0.46940418309452303
Energy: 0.46552124573105197
Energy: 0.46983031549600196
Energy: 0.5593848728184748
Energy: 0.46831535975102584
Energy: 0.46618954296393156
Energy: 0.46470620996526224
Energy: 0.46469092572221266
Energy: 0.5420403662487988
Energy: 0.46708812678562067
Energy: 0.466640818047678
Energy: 0.4657981833966433
Energy: 0.5413141636311455
Energy: 0.5380297503314388
Energy: 0.46796720528122715
Energy: 0.4653937943515825
Energy: 0.4854570598338079
Energy: 0.5424702720714175
Energy: 0.5377606929942109
Energy: 0.4672988508019362
Energy: 0.5850586494379232
Energy: 0.46871556317210017
Energy: 0.592452046641633
Energy: 0.47162113445083437
Energy: 0.4722170582359415
Energy: 0.5769146268554802
Energy: 0.46852818658346396
Energy: 0.5416169262586427
Energy: 0.46969101268776237
Energy: 0.5001235103420868

minimum gb energy = 0.4638802667235512 eV
minimum distance =  2.56530356218963 Angstroms
sigma value = 33