Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.548374074697496
cohesive_energy=4.048047252937728
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018374943708889972
Energy: 0.5376543165540199
Energy: 0.5376428133169135
Energy: 0.018374943708889972
Energy: 0.5376443386176148
Energy: 0.537662834872363
Energy: 0.018374943708889972
Energy: 0.5376641073881896
Energy: 0.5376593207435345
Energy: 0.018374943705889372
Energy: 0.4993368492670245
Energy: 0.020887604304544973
Energy: 0.5396607180989538
Energy: 0.49933684927152544
Energy: 0.020887604304544973
Energy: 0.5396607180794838
Energy: 0.49933684926852484
Energy: 0.020887604304544973
Energy: 0.5396607178485394
Energy: 0.49933684926402394
Energy: 0.96659762655086
Energy: 0.6120650239682959
Energy: 0.6001581975895933
Energy: 1.2376617979949553
Energy: 0.43788348379685266
Energy: 0.2879783008630528
Energy: 0.6406056453526415
Energy: 0.018867421288322056
Energy: 0.2879783008615525
Energy: 0.6406028884327503
Energy: 0.49933684927002514
Energy: 0.5396607179729964
Energy: 0.020887604304544973
Energy: 0.49933684927152544
Energy: 0.539660718124459
Energy: 0.02088760430304467
Energy: 0.49933684926852484
Energy: 0.539660717499105
Energy: 0.020887604304544973
Energy: 0.49933684926852484
Energy: 0.018374943708889972
Energy: 0.5376642176265353
Energy: 0.5376556195334748
Energy: 0.018374943707389672
Energy: 0.5376453201842557
Energy: 0.5376640840223267
Energy: 0.018374943708889972
Energy: 0.537644782394807
Energy: 0.5376639488180102
Energy: 0.018374943707389672
Energy: 0.4993368492670245
Energy: 0.02088760430304467
Energy: 0.5396607169967422
Energy: 0.4993368492670245
Energy: 0.020887604304544973
Energy: 0.5396607180974535
Energy: 0.49933684926852484
Energy: 0.020887604304544973
Energy: 0.5396607180015023
Energy: 0.49933684927002514
Energy: 0.6405969622346541
Energy: 0.2879783008630528
Energy: 0.43788348379685266
Energy: 0.6405928759731683
Energy: 0.7165121224414037
Energy: 0.6627363839011604
Energy: 0.6405985680598834
Energy: 0.5515197167725897
Energy: 0.6120650239682959
Energy: 0.6405976473080104

minimum gb energy = 0.018374943705889372 eV
minimum distance =  2.27176043996071 Angstroms
sigma value = 3


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

Energy: 1.1971504309819705
Energy: 1.0114057695746308
Energy: 1.0131522523712302
Energy: 1.1492474725046171
Energy: 1.0114057695687506
Energy: 1.013152252373836
Energy: 1.1971504309654666
Energy: 1.0114057695962797
Energy: 1.013152252376776
Energy: 1.1492474725056865
Energy: 1.1048566127166264
Energy: 0.9546503554766195
Energy: 1.0025356862911092
Energy: 1.1048566127210364
Energy: 0.9546503554722097
Energy: 1.00253568628563
Energy: 1.1048566127232413
Energy: 0.9546503554703387
Energy: 1.0025356862933144
Energy: 1.1048566127225061
Energy: 1.0046613864230682
Energy: 1.168548667511536
Energy: 1.1166547361034722
Energy: 0.9811119121003927
Energy: 1.1685486675130061
Energy: 1.1166547364480515
Energy: 1.0046613864230682
Energy: 1.168548667513407
Energy: 1.1166547362096457
Energy: 0.9811119121077427
Energy: 1.0144315144976903
Energy: 1.0159386408386815
Energy: 0.8934723577288419
Energy: 1.0144315144793155
Energy: 1.0159386408350064
Energy: 0.893472357741671
Energy: 1.0144315144756406
Energy: 1.0159386408298616
Energy: 0.8934723577339868
Energy: 1.0144315144741705
Energy: 0.8642199982710507
Energy: 1.0764084850506233
Energy: 1.0935086273209293
Energy: 0.8642199982828106
Energy: 1.072898753897968
Energy: 1.1012001955698196
Energy: 0.8642199982882897
Energy: 1.0764084850303772
Energy: 1.0935086273271435
Energy: 0.8642199982791356
Energy: 1.1359834854029327
Energy: 0.8952990284569754
Energy: 1.0469572256716457
Energy: 1.1359834854146926
Energy: 0.8952990284984692
Energy: 1.0469572256356978
Energy: 1.1359834854139579
Energy: 0.8952990284613855
Energy: 1.0469572256338266
Energy: 1.1359834854106168
Energy: 1.0181859921852003
Energy: 0.9011363939446659
Energy: 1.1376110660593004
Energy: 1.0181859921826615
Energy: 0.90113639393471
Energy: 1.1376110660464045
Energy: 1.0181859921767815
Energy: 0.9011363939373159
Energy: 1.1376110660431304
Energy: 1.0181859921723715
Energy: 1.0069672490442878
Energy: 1.0096326643545455
Energy: 1.145164290660891
Energy: 1.0069672490527735
Energy: 1.0096326643501354
Energy: 1.1451627905418764
Energy: 1.0069672490446886
Energy: 1.0096326643427855
Energy: 1.145164290663831
Energy: 1.0069672490336636
Energy: 1.140280515188208
Energy: 1.0141014102853627
Energy: 1.0166683741452995
Energy: 1.1406508056205458
Energy: 1.0141014102890378
Energy: 1.0166683741372144
Energy: 1.140280515191549
Energy: 1.0141014102725339
Energy: 1.0166683741482394
Energy: 1.1406508056238864
Energy: 1.0865528191235918
Energy: 1.1319337330502106
Energy: 0.9657421070650212
Energy: 1.0808531441967086
Energy: 1.1319337330656456
Energy: 0.9709905414310416
Energy: 1.0865528191250617
Energy: 1.1319337330653114
Energy: 0.9657421070694312
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Energy: 1.0082097916952886
Energy: 0.9550885871675848
Energy: 1.103347237902604
Energy: 1.0082097916912127
Energy: 0.9550885871808147
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Energy: 0.9550885871782087
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Energy: 1.0082097917004333
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Energy: 1.0192313710977796
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Energy: 1.0192313710907637
Energy: 0.8951950977586098
Energy: 1.0112171440906603
Energy: 1.0192313710995837
Energy: 0.895195097742039
Energy: 1.0112171440458257
Energy: 0.9048324261395824
Energy: 1.1055848668638322
Energy: 0.9358477832506381
Energy: 0.9048324261282233
Energy: 1.114542326186837
Energy: 0.9358477832352032
Energy: 0.9048324261238134
Energy: 1.1055848668781312
Energy: 0.9358477832260491
Energy: 0.9048324261252834
Energy: 0.9296447340639016
Energy: 1.079477825137053
Energy: 1.1084066388290186
Energy: 0.9296447341380694
Energy: 1.0762927781359393
Energy: 1.1084066388183944
Energy: 0.9296447343683902
Energy: 1.079477825137053
Energy: 1.1084066388275484
Energy: 0.9296447337399022
Energy: 1.0171998058209624
Energy: 0.8943679842615073
Energy: 1.0196918132239097
Energy: 1.0171998058202272
Energy: 0.8943679842776772
Energy: 1.0196918132312593
Energy: 1.0171998058246372
Energy: 0.8943679842504824
Energy: 1.0196918132224395
Energy: 1.0171998058297822
Energy: 1.002841576660416
Energy: 1.0488205123268526
Energy: 0.9787975916321722
Energy: 1.00284157665193
Energy: 1.0488205123235785
Energy: 0.9559060196773556
Energy: 1.0028415766570749
Energy: 1.0488205123261176
Energy: 0.9787975916369162
Energy: 1.0028415766611507
Energy: 0.941890330329323
Energy: 1.0878958099476512
Energy: 1.1339632047062118
Energy: 0.941890330337408
Energy: 1.0878958099403013
Energy: 1.1339632047253216
Energy: 0.9418903303307931
Energy: 1.0878958099358913
Energy: 1.1339632047400217
Energy: 0.9418903303256481
Energy: 1.0260526011154962
Energy: 1.015719688021438
Energy: 1.0203317922854085
Energy: 0.9765772177092769
Energy: 1.015719688021438
Energy: 1.0203317922894843
Energy: 1.026052598073951
Energy: 1.015719688039479
Energy: 1.0203317922861435
Energy: 0.976577217705201
Energy: 1.0126315666787689
Energy: 1.1313404779064977
Energy: 1.0105905420433903
Energy: 1.0126315666768981
Energy: 1.1313404779079677
Energy: 1.0105905420529453
Energy: 1.012631566666274
Energy: 1.1313404779087028
Energy: 1.0105905420444592
Energy: 1.012631566676163
Energy: 1.0143141275819694
Energy: 1.0180317935398437
Energy: 0.8944206365111896
Energy: 1.0143141275591843
Energy: 1.0180317935354337
Energy: 0.8944206365031048
Energy: 1.0143141275639285
Energy: 1.0180317935516037
Energy: 0.8944206365082498
Energy: 1.0143141275856444
Energy: 1.1334414046286483
Energy: 1.0775782049103502
Energy: 0.9019191958229903
Energy: 1.1334414046186925
Energy: 1.0655542578309007
Energy: 0.9019191958068205
Energy: 1.1334414046260424
Energy: 1.077578204926186
Energy: 0.9019191958057512
Energy: 1.1334414045988477
Energy: 0.8636780018100515
Energy: 1.1221648907185684
Energy: 1.0813097103827813
Energy: 0.8636780018170673
Energy: 1.1131262856477577
Energy: 1.0780419188138242
Energy: 0.8636780018244173
Energy: 1.1221648907299941
Energy: 1.0813097103842513
Energy: 0.8636780018251523
Energy: 1.017203034020217
Energy: 0.8936692101441059
Energy: 1.0118249135216681
Energy: 1.0172030340077218
Energy: 0.893669210140431
Energy: 1.0118249134731585
Energy: 1.0172030340206177
Energy: 0.8936692101445068
Energy: 1.011824913556213
Energy: 1.0172030340224218
Energy: 1.1430067965053805
Energy: 1.2233333683268868
Energy: 0.9290496655807926
Energy: 1.1430067964976964
Energy: 1.2233333683308958
Energy: 0.9290496655752467
Energy: 1.1430067964962265
Energy: 1.2233333683452614
Energy: 0.9290496655829975
Energy: 1.1430067964969615
Energy: 0.9357805553084529
Energy: 0.9941338196056586
Energy: 0.9554244885563864
Energy: 0.935780555279454
Energy: 0.9941338196053247
Energy: 0.9543978378137863
Energy: 0.9357805553069829
Energy: 0.9941338196005136
Energy: 0.9554244885626674
Energy: 0.9357805552581391
Energy: 1.1755579294882355
Energy: 1.011405769576836
Energy: 1.01315225238005
Energy: 1.1751043490634512
Energy: 1.0114057695654768
Energy: 1.0131522523804508
Energy: 1.1755579294996614
Energy: 1.0114057695992198
Energy: 1.013152252359136
Energy: 1.1751043490571702
Energy: 1.1048566127195665
Energy: 0.9546503554655946
Energy: 1.0025356862889043
Energy: 1.1048566127217712
Energy: 0.9546503554747485
Energy: 1.0025356862871
Energy: 1.1048566127239763
Energy: 0.9546503554850385
Energy: 1.002535686304005
Energy: 1.1048566127206354
Energy: 0.9996851668840118
Energy: 1.1685486675130061
Energy: 1.1166547358055317
Energy: 0.9987470817265142
Energy: 1.168548667517817
Energy: 1.1166547362155255
Energy: 0.9996851668943018
Energy: 1.168548667521091
Energy: 1.1166547362096457
Energy: 0.9987470817275833
Energy: 1.0144315145020335
Energy: 1.0159386408397504
Energy: 0.8934723577288419
Energy: 1.0144315144822555
Energy: 1.0159386408346056
Energy: 0.893472357731381
Energy: 1.0144315144759748
Energy: 1.0159386408360753
Energy: 0.8934723577471501
Energy: 1.0144315144818545

minimum gb energy = 0.8636780018100515 eV
minimum distance =  2.33993930347127 Angstroms
sigma value = 75


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

Energy: 1.3719865436279375
Energy: 0.8962234943468865
Energy: 0.9142722242182825
Energy: 1.3530406892991584
Energy: 0.8962234943433001
Energy: 0.9142722242218689
Energy: 1.3719865436279375
Energy: 0.8962234943379205
Energy: 0.9142722242236622
Energy: 1.3530406892973652
Energy: 1.0353099826150713
Energy: 1.0914557054613223
Energy: 1.0400463997529785
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Energy: 1.0914557054666694
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Energy: 1.0914557054541496
Energy: 1.0400463997458056
Energy: 1.0353099826168644
Energy: 1.0765215570388278
Energy: 0.9136735890897835
Energy: 0.8972241045134336
Energy: 1.0808653741993606
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Energy: 1.1396300565782338
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Energy: 1.136425196684649
Energy: 1.1379535962662093
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Energy: 1.1382438712385596
Energy: 0.9101717777279239
Energy: 1.1725551906575995
Energy: 1.2014891133235153
Energy: 0.9108622992077849
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Energy: 1.0193905126041356
Energy: 1.000316932119483
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Energy: 1.3595951638518138
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Energy: 1.1709944108610222
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Energy: 1.0174507815526197
Energy: 0.9218179740859601
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Energy: 1.1443838335698007
Energy: 1.100315087419601
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minimum gb energy = 0.8945106030693258 eV
minimum distance =  2.21102232761698 Angstroms
sigma value = 105


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

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Energy: 1.153039062985649
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Energy: 1.1528181895027345
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Energy: 1.1065282619282542
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Energy: 1.1078134852760855
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Energy: 1.1130271912212533
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Energy: 1.067505430763699
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Energy: 1.1413530141024273
Energy: 1.0675054307717913
Energy: 1.1399259965355193
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Energy: 1.0675054307677452
Energy: 1.1399259965334965
Energy: 1.1477165001897596
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Energy: 1.1088348527701408
Energy: 1.1477165001897596
Energy: 1.174666782032762
Energy: 1.1088348527741871
Energy: 1.1477165001938057
Energy: 1.174666782030739
Energy: 1.1088348527802192
Energy: 1.1477165001917826
Energy: 1.1857222132336565
Energy: 1.1394571926113977
Energy: 1.2346960271827807
Energy: 1.1857222132296106
Energy: 1.1394571926113977
Energy: 1.2346960271787348
Energy: 1.1857222132356795
Energy: 1.1394571926053287
Energy: 1.2346960271807579
Energy: 1.1857222132316336
Energy: 1.1771554907969302
Energy: 1.1073856398983999
Energy: 1.1723388402146686
Energy: 1.1771554908050226
Energy: 1.1073856399024458
Energy: 1.1723388402187145
Energy: 1.1771554908050226
Energy: 1.1073856399064919
Energy: 1.1723388402166914
Energy: 1.177155490802999

minimum gb energy = 1.0307348875476527 eV
minimum distance =  2.30816553011323 Angstroms
sigma value = 165


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

Energy: 1.0187683083294699
Energy: 1.1177596419984253
Energy: 1.217165695095671
Energy: 1.0187683083183579
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Energy: 1.2158602212232765
Energy: 1.2116251988201285
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Energy: 1.076142005857437
Energy: 1.1065274545899322
Energy: 1.2116251988298514
Energy: 1.0761420058595204
Energy: 1.1065274545892376
Energy: 1.2116251988326292
Energy: 1.0193418461249555
Energy: 1.1688828436339445
Energy: 1.0184850300792256
Energy: 1.019341846127039
Energy: 1.1688828407231768
Energy: 1.0184850300861705
Energy: 1.0193418461193995
Energy: 1.1688828391237307
Energy: 1.0184850300924213
Energy: 1.019341846118705
Energy: 1.0187683083294699
Energy: 1.1177596419907854
Energy: 1.2171656950998384
Energy: 1.0187683083225247
Energy: 1.117759641981757
Energy: 1.2171656950908096
Energy: 1.0187683083287755
Energy: 1.117759641999814
Energy: 1.2171656950887262
Energy: 1.0187683083239136

minimum gb energy = 0.9865258337661397 eV
minimum distance =  2.31876780160184 Angstroms
sigma value = 41


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

Energy: 1.2864314962077257
Energy: 1.0494006992165716
Energy: 1.0517954640391878
Energy: 1.2097946518369402
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Energy: 0.9992188046070047
Energy: 1.2838446372652095
Energy: 0.9522561791864421
Energy: 0.9992188046016155
Energy: 1.2045779203843852
Energy: 1.073655682784907
Energy: 0.9080402839095876
Energy: 1.0631379633189515
Energy: 1.0736556827956858
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Energy: 1.0736556828010748
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Energy: 1.029188554227675
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Energy: 1.0225981748417579
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Energy: 0.9486258636323078
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Energy: 1.0292000193384858
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Energy: 1.029061944597367
Energy: 1.0292000193330966
Energy: 0.9871253747550222
Energy: 1.0290619446000617
Energy: 1.0292000193384858
Energy: 0.9871253747630573
Energy: 1.0335916371496434
Energy: 0.9078633099553352
Energy: 0.9785348504858719
Energy: 1.0335916371415594
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Energy: 0.9078633099688082
Energy: 0.9785348504831775
Energy: 1.0335916371415594
Energy: 1.0522253929211303
Energy: 1.0521245258042722
Energy: 1.249359709221399
Energy: 1.0522253929184355
Energy: 1.0521245257881044
Energy: 1.210776418891866
Energy: 1.0522253929130463
Energy: 1.0521245257934937
Energy: 1.2493597092187045
Energy: 1.0522253929238248
Energy: 0.911292734445503
Energy: 1.0128879701130973
Energy: 0.968085877683764
Energy: 0.9112927344562815
Energy: 1.0022570188568642
Energy: 0.9350081968466591
Energy: 0.9112927344589761
Energy: 1.0128879701157918
Energy: 0.9680858777052719
Energy: 0.9112927344508922
Energy: 0.9082215537553349
Energy: 0.9746067305747547
Energy: 0.960796602987283
Energy: 0.9082215537580296
Energy: 0.9750095891584865
Energy: 0.9615528835229405
Energy: 0.9082215537472511
Energy: 0.9746067305801438
Energy: 0.9607966029684206
Energy: 0.9082215537472511
Energy: 0.911349653096392
Energy: 0.9267119185050229
Energy: 0.9274192737555907
Energy: 0.9113496530883082
Energy: 0.9265360915552717
Energy: 0.9274192737663695
Energy: 0.9113496530936974
Energy: 0.9267119185077174
Energy: 0.9274192737663695
Energy: 0.9113496531044759
Energy: 1.010992307681813
Energy: 0.948054922664053
Energy: 0.9993385457401636
Energy: 1.0109923076710345
Energy: 0.9481231687552245
Energy: 0.9993385457428583
Energy: 1.0109923076791183
Energy: 0.948054922664053
Energy: 0.9993385457482473
Energy: 1.010992307673729
Energy: 1.02063413760164
Energy: 1.0376980946337246
Energy: 0.958548859234354
Energy: 1.0206341376070291
Energy: 1.0493907100132536
Energy: 0.958548859234354
Energy: 1.020634137593556
Energy: 1.0660137611836407
Energy: 0.9585488592424377
Energy: 1.0206341376070291

minimum gb energy = 0.9077205240445176 eV
minimum distance =  2.25153133280113 Angstroms
sigma value = 185


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

Energy: 0.5124011735424875
Energy: 0.5371764982963849
Energy: 0.5361960674773206
Energy: 0.5124011735441159
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Energy: 0.7021876713539853
Energy: 0.5450793137786303
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Energy: 0.5352774949466792
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Energy: 0.7612830077890468
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Energy: 0.7612830077803815
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Energy: 0.7511100059857003
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Energy: 0.7511097091541529
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Energy: 0.7641820126483397
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Energy: 0.7641820126483397
Energy: 0.7698828935598852
Energy: 0.7577821202129646
Energy: 0.7641820126508986
Energy: 0.5430207997394083
Energy: 0.713402835048615
Energy: 0.7612830077931761
Energy: 0.5430208034830594
Energy: 0.7134028350553613
Energy: 0.7612830077925363
Energy: 0.5430208009380326
Energy: 0.7134028350556522
Energy: 0.7612830077854993
Energy: 0.5430208005156936
Energy: 0.7511099958405464
Energy: 0.5652727265122228
Energy: 0.5367471666012664
Energy: 0.751110218712612
Energy: 0.5652727265054766
Energy: 0.536747166573758
Energy: 0.751109907977255
Energy: 0.5652727265054766
Energy: 0.5367471666306941
Energy: 0.7511102224514358
Energy: 0.577715967194166
Energy: 0.7125383781108932
Energy: 0.5359707578889992
Energy: 0.5777159671931773
Energy: 0.7125383781217104
Energy: 0.5359707578867893
Energy: 0.5777159671935262
Energy: 0.712538378120431
Energy: 0.5359707578874289
Energy: 0.5777159671976553
Energy: 0.5016108384709516
Energy: 0.5419030059096571
Energy: 0.5352288086425138
Energy: 0.501610838479268
Energy: 0.5419030059010498
Energy: 0.5352288086454215
Energy: 0.5016108384728708
Energy: 0.5419030059029691
Energy: 0.5352288086405945
Energy: 0.501610838470021
Energy: 0.6930539832527963
Energy: 0.75851403401477
Energy: 0.5363888056575855
Energy: 0.6930539832498884
Energy: 0.7585140340070933
Energy: 0.536388805644849
Energy: 0.6930539832575652
Energy: 0.7585140340134905
Energy: 0.5363888056713688
Energy: 0.693053983246399

minimum gb energy = 0.501610838470021 eV
minimum distance =  2.34996318505388 Angstroms
sigma value = 33


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

Energy: 0.9340279293030006
Energy: 0.9145427478116565
Energy: 0.9147537955448468
Energy: 0.9340279293082686
Energy: 0.9145427478081445
Energy: 0.914753795543091
Energy: 0.9340279293100245
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Energy: 0.9147537955448468
Energy: 0.9340279293117805
Energy: 0.9087771412881259
Energy: 0.8576345326910081
Energy: 0.8607980654871685
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Energy: 0.8607980655029722
Energy: 0.9087771412881259
Energy: 0.9479388842549833
Energy: 0.9540381031136835
Energy: 0.9363194451679314
Energy: 0.9575541043645522
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Energy: 0.9421914447302453
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Energy: 0.9421914447442931
Energy: 0.9575541043522605
Energy: 1.003294869957253
Energy: 0.8568696487239963
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Energy: 0.8694630265027269
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Energy: 0.8964405660854158
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Energy: 0.9342739751152738
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Energy: 0.8576424057487908
Energy: 0.8589628954002221
Energy: 0.9402584903224432
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Energy: 0.8702876419921268
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Energy: 0.9142333007469462
Energy: 0.917990241736261
Energy: 0.9405751084170905
Energy: 0.9142333007416784

minimum gb energy = 0.8481625857902663 eV
minimum distance =  2.20388694623748 Angstroms
sigma value = 219


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

Energy: 1.3418158697893698
Energy: 1.197183487960245
Energy: 1.1990961428790803
Energy: 1.2046709268325753
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Energy: 1.1640351081778415
Energy: 1.1963923896006876
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Energy: 1.1963923896006876
Energy: 1.2599189713804857
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Energy: 1.1963923895983632
Energy: 1.2071612812490262
Energy: 1.2308873160675955
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Energy: 1.1988567758171975
Energy: 1.2308873160652714
Energy: 1.138169424148442
Energy: 1.1988567758183597
Energy: 1.2308873160675955

minimum gb energy = 1.0847630351149904 eV
minimum distance =  2.28647885521484 Angstroms
sigma value = 15


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

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Energy: 1.236299957725529
Energy: 1.3404140317136124
Energy: 1.2595654048602563
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minimum gb energy = 1.18897114263653 eV
minimum distance =  2.29650896267078 Angstroms
sigma value = 293


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

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Energy: 1.2159788849987025
Energy: 1.2586301699461255
Energy: 1.1673808772057424
Energy: 1.215978884996889
Energy: 1.2586301698388356
Energy: 1.1673808772038807
Energy: 1.2159788849989888
Energy: 1.2586301698905238
Energy: 1.1673808772049308
Energy: 1.2159788849971276
Energy: 1.1662039633919492
Energy: 1.1848293905996163
Energy: 1.1680937486984706
Energy: 1.1662039633940493
Energy: 1.1848293906004275
Energy: 1.168093748701382
Energy: 1.1662039633948131
Energy: 1.1848293905999028
Energy: 1.1680937486987573
Energy: 1.1662039633921881
Energy: 1.2450919088969536
Energy: 1.2468618914052223
Energy: 1.1689238364965808
Energy: 1.2450919088943289
Energy: 1.246861891404411
Energy: 1.1689238364997312
Energy: 1.2450919088922285
Energy: 1.246861891405986
Energy: 1.1689238364962948
Energy: 1.2450919088924675
Energy: 1.2004197241777235
Energy: 1.2907468226198182
Energy: 1.2906215728661636
Energy: 1.2004197241761485
Energy: 1.2907468226200567
Energy: 1.2906215728643022
Energy: 1.2004197241774848
Energy: 1.2907468226205818
Energy: 1.2906215728656385
Energy: 1.2004197241766734
Energy: 1.2453089709560528
Energy: 1.1698656387265156
Energy: 1.2466417964656984
Energy: 1.2453089709513754
Energy: 1.1698656387280904
Energy: 1.24664179646756
Energy: 1.2453089709526641
Energy: 1.1698656387259905
Energy: 1.2466417964665097
Energy: 1.2453089709565777
Energy: 1.1660230609623767
Energy: 1.1670261706294638
Energy: 1.1848945081287983
Energy: 1.1660230609626634
Energy: 1.1670261706266
Energy: 1.1848945081274622
Energy: 1.1660230609639517
Energy: 1.167026170629225
Energy: 1.184894508127987
Energy: 1.166023060963188
Energy: 1.2157751484165134
Energy: 1.1672386821725078
Energy: 1.2589840777697483
Energy: 1.215775148416752
Energy: 1.1672386821693579
Energy: 1.258984072564643
Energy: 1.2157751484175634
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Energy: 1.2589844442068185
Energy: 1.215775148418327
Energy: 1.383928573172346
Energy: 1.164524095869215
Energy: 1.173232514282735
Energy: 1.3839285731731097
Energy: 1.1645240958707899
Energy: 1.1732325142740487
Energy: 1.3839285731720599
Energy: 1.164524095872365
Energy: 1.173232514270135
Energy: 1.3839285731746849
Energy: 1.2614748334171244
Energy: 1.2449399201444034
Energy: 1.1663109797154465
Energy: 1.2614748334197494
Energy: 1.2449399201433535
Energy: 1.1663109797185967
Energy: 1.2614748334168382
Energy: 1.24493992014154
Energy: 1.166310979716258
Energy: 1.2614748334199881
Energy: 1.1699629088286903
Energy: 1.2410931939040377
Energy: 1.264019738419592
Energy: 1.1699629088274017
Energy: 1.2410931939040377
Energy: 1.264019738419067
Energy: 1.1699629088258265
Energy: 1.2410931939040377
Energy: 1.2640197384235055
Energy: 1.1699629088239654
Energy: 1.2707019910476463
Energy: 1.1666825160209275
Energy: 1.1667014899675094
Energy: 1.2707019910465962
Energy: 1.1666825160217391
Energy: 1.166701489968273
Energy: 1.270701991046071
Energy: 1.166682516022264
Energy: 1.1667014899675094
Energy: 1.270701991047885
Energy: 1.1702719243198354
Energy: 1.2641151366599679
Energy: 1.2412391195511727
Energy: 1.1702719243185469
Energy: 1.264115136661018
Energy: 1.2412391195514112
Energy: 1.1702719243206468
Energy: 1.2641151366604928
Energy: 1.2412391195495975
Energy: 1.1702719243182604
Energy: 1.260805462840177
Energy: 1.1661370354510399
Energy: 1.2453112391727745
Energy: 1.2608054628375522
Energy: 1.1661370354518035
Energy: 1.2453112391743497
Energy: 1.2608054628404157
Energy: 1.1661370354518035
Energy: 1.2453112391751133
Energy: 1.260805462838077
Energy: 1.3842716977476308
Energy: 1.17494681765763
Energy: 1.164551440147444
Energy: 1.3842716977507807
Energy: 1.1749468176578688
Energy: 1.1645514401435302
Energy: 1.3842716977476308
Energy: 1.17494681766183
Energy: 1.164551440147444
Energy: 1.3842716977500173
Energy: 1.2159788849976525
Energy: 1.2586301699760505
Energy: 1.167380877203642
Energy: 1.2159788849981776
Energy: 1.258630169822322
Energy: 1.1673808772049308
Energy: 1.215978884997939
Energy: 1.258630169937487
Energy: 1.1673808772041672
Energy: 1.2159788849984638

minimum gb energy = 1.164524095867115 eV
minimum distance =  2.31274546863885 Angstroms
sigma value = 293


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

Energy: 0.8907718915920673
Energy: 0.892080693048377
Energy: 0.8922247304524725
Energy: 0.8907718916020305
Energy: 0.8920806930479026
Energy: 0.8922247304543702
Energy: 0.8907718915726155
Energy: 0.8920806930507492
Energy: 0.892224730452947
Energy: 0.8907718915968117
Energy: 0.892207387513516
Energy: 0.8915475777957519
Energy: 0.8914092692879344
Energy: 0.8922073875168371
Energy: 0.8915475777355414
Energy: 0.8914092692850877
Energy: 0.8922073875097206
Energy: 0.8915475777341181
Energy: 0.8914092692879344
Energy: 0.8922073875206326
Energy: 0.8902874978920544
Energy: 0.8914336884754694
Energy: 1.0171371708794477
Energy: 0.8902874978901566
Energy: 0.8914336884711995
Energy: 1.017137524595857
Energy: 0.8902874978863611
Energy: 0.8914336884730972
Energy: 1.0171378129197093
Energy: 0.8902874978887333
Energy: 1.0174658217187786
Energy: 0.8913906705442475
Energy: 0.8911659370621576
Energy: 1.0174658478159964
Energy: 0.8913906705504151
Energy: 0.8911659370626321
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Energy: 0.8913906705489918
Energy: 0.891165937067851
Energy: 1.0174658739255065
Energy: 0.8915026037939219
Energy: 0.8914502629533159
Energy: 0.892163471149299
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Energy: 0.8915026037981919
Energy: 0.8914502629504693
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Energy: 0.8915026037967686
Energy: 0.8920806930474281
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Energy: 0.8907718915996584
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Energy: 0.8920806930488515
Energy: 0.8922247304557935
Energy: 0.890771891602505
Energy: 0.8920806930521725
Energy: 0.8915475776169751
Energy: 0.8914092692846133
Energy: 0.8922073875139905
Energy: 0.8915475777919565
Energy: 0.89140926928746
Energy: 0.892207387513516
Energy: 0.8915475777118196
Energy: 0.8914092692846133
Energy: 0.8922073875168371
Energy: 0.8915475776150774
Energy: 0.8914336884664552
Energy: 1.0171379030659629
Energy: 0.8902874978844634
Energy: 0.8914336884702506
Energy: 1.0171382660350272
Energy: 0.890287497890631
Energy: 0.8914336884740461
Energy: 1.0171384929280058
Energy: 0.8902874978915799
Energy: 0.8914336884674041
Energy: 0.8913906705485174
Energy: 0.8911659370593111
Energy: 1.0174658939985741
Energy: 0.8913906705442475
Energy: 0.89116593706453
Energy: 1.0174659230544714
Energy: 0.8913906705489918
Energy: 0.8911659370687999
Energy: 1.0174659584787447
Energy: 0.8913906705494663
Energy: 0.8914502629575858
Energy: 0.8921634711526201
Energy: 0.891502603792973
Energy: 0.8914502629575858
Energy: 0.8921634711559412
Energy: 0.8915026037991408
Energy: 0.8914502629722934
Energy: 0.892163471150248
Energy: 0.8915026038005641
Energy: 0.8914502629784179
Energy: 0.8922247304605381
Energy: 0.8907718915730898
Energy: 0.8920806930474281
Energy: 0.8922247304576915
Energy: 0.8907718915892207
Energy: 0.892080693051698
Energy: 0.8922247304595892
Energy: 0.8907718915996584
Energy: 0.8920806930464793
Energy: 0.8922247304600637
Energy: 0.8914092692869855
Energy: 0.892207387513516
Energy: 0.8915475776165007
Energy: 0.8914092692846133
Energy: 0.8922073875139905
Energy: 0.8915475776046398
Energy: 0.89140926928746
Energy: 0.8922073875201582
Energy: 0.8915475774917668
Energy: 0.8914092692846133
Energy: 1.017139028352558
Energy: 0.8902874978844634
Energy: 0.8914336884726229
Energy: 1.0171393168110645
Energy: 0.8902874978858867
Energy: 0.8914336884683529
Energy: 1.017139858280599
Energy: 0.8902874978825657
Energy: 0.8914336884745206
Energy: 1.0171406640529503
Energy: 0.8911659370673766
Energy: 1.0174659596405993
Energy: 0.891390670547094
Energy: 0.8911659370626321
Energy: 1.0174659965074648
Energy: 0.8913906705485174
Energy: 0.8911659370578877
Energy: 1.0174660253580168
Energy: 0.8913906705494663
Energy: 0.8911659370640554
Energy: 0.892163471150248
Energy: 0.8915026037977174
Energy: 0.89145026297087
Energy: 0.8921634711530946
Energy: 0.8915026038010385
Energy: 0.8914502629850601
Energy: 0.892163471149299
Energy: 0.891502603801513
Energy: 0.8914502629774691
Energy: 0.8921634711530946
Energy: 0.8907718916006073
Energy: 0.8920806930464793
Energy: 0.892224730452947
Energy: 0.8907718915968117
Energy: 0.8920806930417348
Energy: 0.8922247304510492
Energy: 0.890771891593965
Energy: 0.8920806930464793
Energy: 0.8922247304524725
Energy: 0.8907718915887463
Energy: 0.8922073875173115
Energy: 0.8915475776497114
Energy: 0.8914092692865112
Energy: 0.8922073875192092
Energy: 0.8915475776610979
Energy: 0.89140926928319
Energy: 0.8922073875082972
Energy: 0.8915475775634069
Energy: 0.8914092692879344
Energy: 0.892207387517786
Energy: 0.8902874978925288
Energy: 0.8914336884711995
Energy: 1.0171410035823807
Energy: 0.8902874978882588
Energy: 0.8914336884702506
Energy: 1.017141579119901
Energy: 0.8902874978934776
Energy: 0.8914336884726229
Energy: 1.0171420730941751
Energy: 0.8902874978915799
Energy: 1.0174660783557183
Energy: 0.8913906705504151
Energy: 0.8911659370588366
Energy: 1.0174661291923996
Energy: 0.8913906705523128
Energy: 0.8911659370621576
Energy: 1.0174661903207116
Energy: 0.8913906705485174
Energy: 0.8911659370602599
Energy: 1.0174662516994402
Energy: 0.8915026037943963
Energy: 0.8914502629855345
Energy: 0.8921634711511969
Energy: 0.8915026037953452
Energy: 0.8914502629784179
Energy: 0.8921634711549923
Energy: 0.8915026038029362
Energy: 0.8914502629902789
Energy: 0.8921634711526201
Energy: 0.8915026037943963
Energy: 0.8920806930474281
Energy: 0.8922247304557935
Energy: 0.8907718915982351
Energy: 0.8920806930507492
Energy: 0.892224730456268
Energy: 0.8907718915977606
Energy: 0.8920806930479026
Energy: 0.8922247304567424
Energy: 0.8907718915759364
Energy: 0.8920806930488515
Energy: 0.8915475775591369
Energy: 0.8914092692841388
Energy: 0.8922073875139905
Energy: 0.8915475775553414
Energy: 0.8914092692869855
Energy: 0.8922073875125672
Energy: 0.8915475775022044
Energy: 0.8914092692850877
Energy: 0.8922073875120928
Energy: 0.8915475775861367

minimum gb energy = 0.8902874978825657 eV
minimum distance =  2.33985588475225 Angstroms
sigma value = 15


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

Energy: 1.2680883407723407
Energy: 1.2188184719831638
Energy: 1.2198928198822934
Energy: 1.1938436128875163
Energy: 1.2188184719788626
Energy: 1.2198928198801429
Energy: 1.2680883407615877
Energy: 1.2188184719767121
Energy: 1.2198928198822934
Energy: 1.1938436128853656
Energy: 1.1473385574730728
Energy: 1.084675741292336
Energy: 1.0861897071714157
Energy: 1.1473385574752233
Energy: 1.0846757412966375
Energy: 1.0861897071714157
Energy: 1.147338557477374
Energy: 1.0846757413009385
Energy: 1.0861897071692652
Energy: 1.147338557479525
Energy: 1.116597549479561
Energy: 1.1987526370113932
Energy: 1.3645239463779546
Energy: 1.116597549479561
Energy: 1.1987526370113932
Energy: 1.3645239463779546
Energy: 1.1165975494774105
Energy: 1.1987526370135437
Energy: 1.3645239463758039
Energy: 1.1165975494688472
Energy: 1.110993144701992
Energy: 1.2002467138478459
Energy: 1.0925190619190417
Energy: 1.1109931446976908
Energy: 1.2002467138585988
Energy: 1.0925190619233431
Energy: 1.1109931446955403
Energy: 1.2002467138650508
Energy: 1.0925190619039875
Energy: 1.1109931446976908
Energy: 1.1266560424610537
Energy: 1.083251684713096
Energy: 1.1638512260330818
Energy: 1.126656042476108
Energy: 1.083251684717397
Energy: 1.1638512260266298
Energy: 1.1266560424825598
Energy: 1.0832516847216984
Energy: 1.1638512260137261
Energy: 1.1266560424782586
Energy: 1.177301015941617
Energy: 1.2134474074192776
Energy: 1.1160434550186429
Energy: 1.177301015930864
Energy: 1.213447407421428
Energy: 1.11604345500789
Energy: 1.1773010159201112
Energy: 1.2134474074235786
Energy: 1.1160434550121912
Energy: 1.1773010159287134
Energy: 1.154315264286081
Energy: 1.10214885381415
Energy: 1.1467448630997943
Energy: 1.1538107376217257
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Energy: 1.1467448631771777
Energy: 1.154315264279629
Energy: 1.1021488537990956
Energy: 1.1467448631556714
Energy: 1.1538107376324789
Energy: 1.0984213973478174
Energy: 1.2319600136988087
Energy: 1.2634783585684077
Energy: 1.0984213973564199
Energy: 1.2319600136945075
Energy: 1.263478358561995
Energy: 1.0984213973628718
Energy: 1.2319600136880555
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Energy: 1.0984213973585706
Energy: 1.3362597225546093
Energy: 1.1574884214163306
Energy: 1.1556036281941666
Energy: 1.336259722550308
Energy: 1.1125047066941625
Energy: 1.1097297691526546
Energy: 1.3362597225524586
Energy: 1.1574884214120296
Energy: 1.1556036281963171
Energy: 1.3362597225417054
Energy: 1.0996526178815933
Energy: 1.1491177593429043
Energy: 1.1287287334367369
Energy: 1.0999186785585355
Energy: 1.1491177593687116
Energy: 1.11489910211253
Energy: 1.0996526178708796
Energy: 1.1491177593687116
Energy: 1.1287287334130802
Energy: 1.0999186785542345
Energy: 1.1276350093908758
Energy: 1.0846827375073373
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Energy: 1.0846827375051866
Energy: 1.174705554737071
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Energy: 1.0846827375008854
Energy: 1.1747055547413723
Energy: 1.127635009380162
Energy: 1.202419799484088
Energy: 1.1122690133466746
Energy: 1.3200076134053058
Energy: 1.202419799473335
Energy: 1.1116314255703785
Energy: 1.3200076134074565
Energy: 1.202419799477636
Energy: 1.1122690133509758
Energy: 1.3200076134074565
Energy: 1.2024197994797867
Energy: 1.2592381737093552
Energy: 1.1014402434743056
Energy: 1.191032192890678
Energy: 1.2592381737072047
Energy: 1.1014402434829078
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Energy: 1.2592381737072047
Energy: 1.1014402434850583
Energy: 1.1910321928885275
Energy: 1.2592381737136566
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Energy: 1.0910635725894668
Energy: 1.295690824683061
Energy: 1.090884762291578
Energy: 1.0910635725808644
Energy: 1.2956908246787597
Energy: 1.0908847622829754
Energy: 1.0910635725744124
Energy: 1.2956908246852117
Energy: 1.090884762291578
Energy: 1.2535945203256498
Energy: 1.158431665166546
Energy: 1.1460057091188645
Energy: 1.2535945203321015
Energy: 1.1584316651751094
Energy: 1.1463658775215488
Energy: 1.2535945203256498
Energy: 1.158431665183712
Energy: 1.146005709123166
Energy: 1.253594520317047
Energy: 1.093507837234265
Energy: 1.1095981977445115
Energy: 1.2486405453939324
Energy: 1.093507837234265
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Energy: 1.2486405453939324
Energy: 1.0935078372406777
Energy: 1.1095981977445115
Energy: 1.248640545396083
Energy: 1.0935078372364155
Energy: 1.20407290370498
Energy: 1.2005742525249814
Energy: 1.1796639921333236
Energy: 1.2423714035956952
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Energy: 1.1796639921290224
Energy: 1.204072903687775
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Energy: 1.1796639921311731
Energy: 1.2423714036042977
Energy: 1.4069011172752148
Energy: 1.0853221236597597
Energy: 1.0860185569281828
Energy: 1.4069011172859678
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Energy: 1.086018556926032
Energy: 1.4069011172816668
Energy: 1.085322123657609
Energy: 1.0860185569432372
Energy: 1.406901117283817
Energy: 1.0926141632256705
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Energy: 1.1623240094998302
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Energy: 1.162324009501981
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Energy: 1.1576969973010085
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Energy: 1.1390008138447527
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Energy: 1.139000813842602
Energy: 1.1576969973074605
Energy: 1.267324802394805
Energy: 1.1447740728254625
Energy: 1.0883097157438408
Energy: 1.3079316796035019
Energy: 1.144774072827613
Energy: 1.0883097157502928
Energy: 1.3079316796099538
Energy: 1.1447740728211613
Energy: 1.0883097157524435
Energy: 1.307931679614255
Energy: 1.1447740728147093
Energy: 1.1920202350969449
Energy: 1.3402135742633032
Energy: 1.1150333107787909
Energy: 1.1920202351012463
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Energy: 1.1150333107916945
Energy: 1.1920202351055473
Energy: 1.3402135742590016
Energy: 1.1150333107809411
Energy: 1.1920202350840805
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Energy: 1.15204221788288
Energy: 1.1888301902485745
Energy: 1.150645848791954
Energy: 1.1523628809538742
Energy: 1.1888301902550262
Energy: 1.1503424845417187
Energy: 1.1520422178914826
Energy: 1.1888301902378215
Energy: 1.1506458487898035
Energy: 1.1435003805963309
Energy: 1.0795125486335522
Energy: 1.0837527443766488
Energy: 1.143500380589879
Energy: 1.0795125486443053
Energy: 1.0837527443809503
Energy: 1.1435003805963309
Energy: 1.0795125486421546
Energy: 1.0837527443766488
Energy: 1.1435003805963309
Energy: 1.1619797724440246
Energy: 1.1806471233866171
Energy: 1.1789149096719356
Energy: 1.1619797724461751
Energy: 1.1806471233930689
Energy: 1.1789149096676343
Energy: 1.1619797724568892
Energy: 1.1806471233887679
Energy: 1.1789149096633331
Energy: 1.1619797724590397
Energy: 1.0990489314579674
Energy: 1.1866485891184277
Energy: 1.096921031379281
Energy: 1.0990108667060445
Energy: 1.1866485891162772
Energy: 1.2068797858365687
Energy: 1.0990489314837357
Energy: 1.186648589122729
Energy: 1.0969210314007483
Energy: 1.09901086669099
Energy: 1.1577250690243657
Energy: 1.0889181517477464
Energy: 1.3033228579208658
Energy: 1.1577250690179528
Energy: 1.088918151743445
Energy: 1.303322857912263
Energy: 1.157725069011501
Energy: 1.0889181517455957
Energy: 1.3033228579101126
Energy: 1.1577250690093503
Energy: 1.1708686447235577
Energy: 1.189908187573211
Energy: 1.3029043157049995
Energy: 1.1708686447171057
Energy: 1.1899081875818136
Energy: 1.3029043157093008
Energy: 1.170868644710654
Energy: 1.1899081875667592
Energy: 1.3029043156985478
Energy: 1.1708686447192564
Energy: 1.2740178142662621
Energy: 1.114933830100515
Energy: 1.1939403459910871
Energy: 1.2760333679382057
Energy: 1.1133181198164588
Energy: 1.1939403459910871
Energy: 1.2740178142533585
Energy: 1.1149338300940632
Energy: 1.1939403459588667
Energy: 1.2760333679188498
Energy: 1.1079820072149327
Energy: 1.0903276826061505
Energy: 1.1826749804405214
Energy: 1.1079820072278364
Energy: 1.0903276825975485
Energy: 1.182674980449124
Energy: 1.1079820072127822
Energy: 1.0903276825782318
Energy: 1.182674980449124
Energy: 1.1079820072106314
Energy: 1.1857291429092405
Energy: 1.182675132126909
Energy: 1.136936340327955
Energy: 1.1857291429199937
Energy: 1.1826751321376623
Energy: 1.1370081402915035
Energy: 1.1857291429371986
Energy: 1.1826751321376623
Energy: 1.1369363403344068
Energy: 1.1857291429156924
Energy: 1.085073539524879
Energy: 1.1078311860031302
Energy: 1.2693235382909553
Energy: 1.0850735395227284
Energy: 1.1078311860074315
Energy: 1.2693235383017083
Energy: 1.0850735395141258
Energy: 1.1078311860074315
Energy: 1.269323538297407
Energy: 1.0850735395141258
Energy: 1.2245248484279496
Energy: 1.2398261443308092
Energy: 1.08892233719588
Energy: 1.1908920967684604
Energy: 1.2398261443329601
Energy: 1.0889223371980308
Energy: 1.2245248484257991
Energy: 1.2398261443501648
Energy: 1.0889223372001813
Energy: 1.1908920967684604
Energy: 1.2260380205996735
Energy: 1.0947098268213835
Energy: 1.2653833074541767
Energy: 1.1918812137576007
Energy: 1.0947098268342872
Energy: 1.2448198152177818
Energy: 1.2260380206039745
Energy: 1.0947098268299857
Energy: 1.2653833074563272
Energy: 1.191881213751149
Energy: 1.0830317883457705
Energy: 1.1915333758564468
Energy: 1.111349397138038
Energy: 1.0830317883522222
Energy: 1.191533375849995
Energy: 1.1113493971315862
Energy: 1.0830317883522222
Energy: 1.1915333758585973
Energy: 1.1113493971208332
Energy: 1.0830317883393186
Energy: 1.1085993896320767
Energy: 1.1390636919592283
Energy: 1.115678923732437
Energy: 1.1085993896342272
Energy: 1.139063691957078
Energy: 1.1156789237302867
Energy: 1.1085993896084592
Energy: 1.139063691954927
Energy: 1.115678923749642
Energy: 1.1085993896106097
Energy: 1.1084827810484987
Energy: 1.276402973769282
Energy: 1.088903555113833
Energy: 1.1084827810420472
Energy: 1.2764029737714326
Energy: 1.0890587396672389
Energy: 1.1084827810484987
Energy: 1.2764029737714326
Energy: 1.0889035551159836
Energy: 1.1084827810506492
Energy: 1.1922273063191808
Energy: 1.2411627284821287
Energy: 1.1124584619611606
Energy: 1.192227306323482
Energy: 1.241162728479978
Energy: 1.1124584619418052
Energy: 1.192227306327783
Energy: 1.2411627284906919
Energy: 1.1124584619461064
Energy: 1.1922273063191808
Energy: 1.2280027797894404
Energy: 1.2386639403981041
Energy: 1.1078462031131313
Energy: 1.2280027797894404
Energy: 1.2386639404067066
Energy: 1.1078462031131313
Energy: 1.2280027797872899
Energy: 1.2386639403959534
Energy: 1.107846203104529
Energy: 1.2280027797980428
Energy: 1.2096609554470639
Energy: 1.2069271620592021
Energy: 1.0858181941480534
Energy: 1.2096609554363105
Energy: 1.2069271620613529
Energy: 1.0858181941588065
Energy: 1.2096609554320095
Energy: 1.2069271620635036
Energy: 1.085818194167409
Energy: 1.2096609554492141
Energy: 1.1055209894393052
Energy: 1.192534066037606
Energy: 1.1260845468253948
Energy: 1.1055209894457572
Energy: 1.1925340660419077
Energy: 1.126084546818943
Energy: 1.1055209894414562
Energy: 1.1925340660526607
Energy: 1.1260845468124911
Energy: 1.105520989437155
Energy: 1.260523461574866
Energy: 1.1523903379065896
Energy: 1.1560250192727166
Energy: 1.2605234615791674
Energy: 1.1064172382805304
Energy: 1.1099643160242212
Energy: 1.260523461570565
Energy: 1.152390337928057
Energy: 1.1560250192748671
Energy: 1.260523461570565
Energy: 1.1083386326778206
Energy: 1.0833516016247264
Energy: 1.2243647625154395
Energy: 1.1083386326778206
Energy: 1.0833516016311784
Energy: 1.2243647625197407
Energy: 1.1083386326885347
Energy: 1.0833516016311784
Energy: 1.22436476251759
Energy: 1.1083386326863838
Energy: 1.153367984822062
Energy: 1.419692002954234
Energy: 1.1512949078922878
Energy: 1.153367984826363
Energy: 1.419692002958535
Energy: 1.1512949078922878
Energy: 1.153367984822062
Energy: 1.4196920029628362
Energy: 1.1512949078944383
Energy: 1.1533679848177607
Energy: 1.1134829315562178
Energy: 1.113339296393548
Energy: 1.1763590075774388
Energy: 1.1134829315476151
Energy: 1.1134845635157073
Energy: 1.1763590075624237
Energy: 1.1134829315476151
Energy: 1.1133392964064517
Energy: 1.176359007570987
Energy: 1.1134829315540669
Energy: 1.109516183044852
Energy: 1.0999071901188224
Energy: 1.2562208295718953
Energy: 1.109516183044852
Energy: 1.0999071901188224
Energy: 1.2562208295783472
Energy: 1.1095161830513036
Energy: 1.0999071901188224
Energy: 1.2562208295697448
Energy: 1.1095161830534541
Energy: 1.101133363354731
Energy: 1.1529153108012147
Energy: 1.146296883087995
Energy: 1.1011333633461284
Energy: 1.1529153108012147
Energy: 1.1458491056930156
Energy: 1.1011333633418274
Energy: 1.1529153108055161
Energy: 1.1462968831008986
Energy: 1.1011333633525804
Energy: 1.0861261981307373
Energy: 1.1570848709484989
Energy: 1.345182954585612
Energy: 1.0861261981371892
Energy: 1.1570848709441977
Energy: 1.345182954574898
Energy: 1.0861261981350387
Energy: 1.1570848709441977
Energy: 1.345182954574898
Energy: 1.0861261981350387
Energy: 1.10752431693527
Energy: 1.234495449551533
Energy: 1.2584551362912162
Energy: 1.1544522532701698
Energy: 1.2344954495730391
Energy: 1.2584551362890655
Energy: 1.1075243169309688
Energy: 1.2344954495751899
Energy: 1.2584551362804628
Energy: 1.1544522532443622

minimum gb energy = 1.0795125486335522 eV
minimum distance =  2.2534647974459 Angstroms
sigma value = 437


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

Energy: 1.132940583362498
Energy: 1.3135871731728088
Energy: 1.3141586609628446
Energy: 1.1329405833648485
Energy: 1.313587173173592
Energy: 1.3141586609589273
Energy: 1.1329405833640651
Energy: 1.3135871731712416
Energy: 1.3141586609651954
Energy: 1.1329405833640651
Energy: 1.1882553296033596
Energy: 1.0872243332599854
Energy: 1.09031959174493
Energy: 1.1882553296260816
Energy: 1.0872243332576348
Energy: 1.090319591748064
Energy: 1.1882553297396188
Energy: 1.0872243332607687
Energy: 1.0903195917457134
Energy: 1.188255329526647
Energy: 1.2331938663842568
Energy: 1.0852395224171503
Energy: 1.4636723349067826
Energy: 1.233193866388174
Energy: 1.0852395224218514
Energy: 1.4636723349075662
Energy: 1.2331938663811226
Energy: 1.0852395224218514
Energy: 1.4636723349067826
Energy: 1.2331938663866073
Energy: 1.2157513303767087
Energy: 1.2973129476951337
Energy: 1.1202095794027906
Energy: 1.2157513303829768
Energy: 1.2973129477092369
Energy: 1.1202095794035742
Energy: 1.2157513303767087
Energy: 1.2973129477076697
Energy: 1.1202095794035742
Energy: 1.2157513303829768
Energy: 1.2983666042956887
Energy: 1.086379590615619
Energy: 1.3211734242504345
Energy: 1.2983666042933384
Energy: 1.086379590607784
Energy: 1.321173424246517
Energy: 1.2983666042949056
Energy: 1.0863795906179694
Energy: 1.3211734242520017
Energy: 1.298366604292555
Energy: 1.1204811052342898
Energy: 1.3297307733503427
Energy: 1.0870596166279298
Energy: 1.120481105230372
Energy: 1.3297307733456416
Energy: 1.087059616632631
Energy: 1.1204811052350732
Energy: 1.3297307733511263
Energy: 1.0870596166279298
Energy: 1.1204811052311558
Energy: 1.1604704071665768
Energy: 1.1486532123692264
Energy: 1.0858845942822117
Energy: 1.1604704071728449
Energy: 1.1486532123660924
Energy: 1.0858845942798614
Energy: 1.1604704071626593
Energy: 1.148653212368443
Energy: 1.0858845942845623
Energy: 1.1668947227356505
Energy: 1.1128740132318062
Energy: 1.324271209120644
Energy: 1.1437886385864824
Energy: 1.112874013230239
Energy: 1.3242712091151596
Energy: 1.143788638589616
Energy: 1.1128740132333732
Energy: 1.324271209120644
Energy: 1.1437886385864824
Energy: 1.1128740132318062
Energy: 1.5064794892130142
Energy: 1.0870308768184107
Energy: 1.0869472238929336
Energy: 1.506479489208313
Energy: 1.0870308768160601
Energy: 1.0869472238913667
Energy: 1.5064794892130142
Energy: 1.0870308768215446
Energy: 1.086947223893717
Energy: 1.5064794892067463
Energy: 1.260782820985485
Energy: 1.147933087330654
Energy: 1.405994250801926
Energy: 1.2607828209807839
Energy: 1.147933087333788
Energy: 1.4059942508027092
Energy: 1.2607828209847012
Energy: 1.1479330873322209
Energy: 1.405994250800359
Energy: 1.2607828209776497
Energy: 1.1919440840392204
Energy: 1.1920107127011499
Energy: 1.124650625707485
Energy: 1.1919440840384368
Energy: 1.192010712702717
Energy: 1.1246506257106188
Energy: 1.1919440840376532
Energy: 1.1920107127011499
Energy: 1.124650625707485
Energy: 1.1919440840384368
Energy: 1.20460141482986
Energy: 1.086779750758545
Energy: 1.2647690870853479
Energy: 1.2046014148392623
Energy: 1.0867797507554111
Energy: 1.264769087082214
Energy: 1.2046014148314272
Energy: 1.0867797507601122
Energy: 1.2647690870861314
Energy: 1.2046014148345612
Energy: 1.0866381277362025
Energy: 1.4889543804211256
Energy: 1.0861922981275125
Energy: 1.0866381277283677
Energy: 1.4889543804140741
Energy: 1.0861922981337806
Energy: 1.0866381277362025
Energy: 1.4889543804211256
Energy: 1.0861922981275125
Energy: 1.0866381277299346
Energy: 1.1552029963628536
Energy: 1.0873517203878773
Energy: 1.1858378937842207
Energy: 1.1552029963628536
Energy: 1.0873517203878773
Energy: 1.1858378937873548
Energy: 1.1552029963612864
Energy: 1.0873517203878773
Energy: 1.185837893783437
Energy: 1.1552029963644204

minimum gb energy = 1.0852395224171503 eV
minimum distance =  2.24904880156621 Angstroms
sigma value = 33