Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607352703809738
cohesive_energy=3.5352136626369166
mass=63.546
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: 0.015550851823233394
Energy: 0.45256855257854706
Energy: 0.45256855257854706
Energy: 0.015550851823233394
Energy: 0.4525685525799987
Energy: 0.45256855257854706
Energy: 0.015550851823233394
Energy: 0.4525685525770954
Energy: 0.4525685525799987
Energy: 0.01555085182178175
Energy: 0.4488532991778434
Energy: 0.02157973313505855
Energy: 0.4486907487737165
Energy: 0.4488532991778434
Energy: 0.02157973313505855
Energy: 0.4486907487737165
Energy: 0.4488532991778434
Energy: 0.021579733136510196
Energy: 0.4486907487737165
Energy: 0.4488532991778434
Energy: 0.9671785402970504
Energy: 0.8294286690358624
Energy: 0.7494703922889816
Energy: 0.9671781213421358
Energy: 0.6913658049526341
Energy: 0.6913635351656134
Energy: 0.9671795345159904
Energy: 0.7495283004332106
Energy: 0.8294286690358624
Energy: 0.9671782099403101
Energy: 0.4488532991778434
Energy: 0.4486907487751682
Energy: 0.021579733136510196
Energy: 0.4488532991763917
Energy: 0.4486907487737165
Energy: 0.021579733133606904
Energy: 0.4488532991778434
Energy: 0.44869074877661985
Energy: 0.021579733136510196
Energy: 0.4488532991763917
Energy: 0.015550851823233394
Energy: 0.45256855257854706
Energy: 0.45256855257854706
Energy: 0.015550851824685038
Energy: 0.45256855257854706
Energy: 0.4525685525770954
Energy: 0.01555085182178175
Energy: 0.45256855257854706
Energy: 0.45256855257854706
Energy: 0.01555085182178175
Energy: 0.4488532991778434
Energy: 0.021579733133606904
Energy: 0.4486907487737165
Energy: 0.4488532991763917
Energy: 0.02157973313505855
Energy: 0.4486907487751682
Energy: 0.4488532991778434
Energy: 0.021579733133606904
Energy: 0.4486907487737165
Energy: 0.4488532991763917
Energy: 0.9671791679291699
Energy: 0.2698595042370028
Energy: 0.01686166055458162
Energy: 0.9671781938791676
Energy: 0.2698595042355511
Energy: 0.01686166055458162
Energy: 0.9671789360286656
Energy: 0.2698595042370028
Energy: 0.5980442639219125
Energy: 0.9671794408378801

minimum gb energy = 0.01555085182178175 eV
minimum distance =  2.29986045716939 Angstroms
sigma value = 3


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

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Energy: 1.2599394847661587
Energy: 1.2601668453136339
Energy: 0.9782247542181987
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Energy: 1.259717805865099
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Energy: 1.1788804821321217
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Energy: 0.9392115474242961
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Energy: 0.9392115474235848
Energy: 1.2281841110271776
Energy: 1.2284854752238827
Energy: 0.9392115474218393
Energy: 1.307208937695898
Energy: 1.3073343840843519
Energy: 0.9392115474168613
Energy: 1.2599655254935895
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Energy: 1.2598899068073952
Energy: 1.2599655254974684
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Energy: 1.2599655254967577
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Energy: 1.2282059065661803
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Energy: 1.1796127608434759
Energy: 1.2215616426160272
Energy: 0.9782247542181987
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Energy: 1.260166845304389
Energy: 1.159747717945583
Energy: 1.2599394847597585
Energy: 1.26016684530051
Energy: 0.9782247542178756
Energy: 1.2599394847580128
Energy: 1.2601668453026433
Energy: 1.1597477179459064
Energy: 1.095679857934711
Energy: 1.179768717144313
Energy: 1.2284777795151034
Energy: 1.0956798579432445
Energy: 1.1797687171460587
Energy: 1.228477779524995
Energy: 1.0956798579421456
Energy: 1.1797687171439253
Energy: 1.2284777795246717
Energy: 1.0956798579468006
Energy: 1.2493492683726342
Energy: 1.3296561346775382
Energy: 1.22812547051513
Energy: 1.183843239857573
Energy: 1.329656134681805
Energy: 1.228125469396607
Energy: 1.2493492683726342
Energy: 1.3296561346800593
Energy: 1.228125469613058
Energy: 1.183843239860741
Energy: 1.2604675541958774
Energy: 1.2594190698622325
Energy: 0.9785932948962348
Energy: 1.2604675541987218
Energy: 1.2594190698487204
Energy: 0.9785932948994673
Energy: 1.2604675541919983
Energy: 1.2594190698586765
Energy: 0.9785932949044454
Energy: 1.2604675541930326

minimum gb energy = 0.9392115474168613 eV
minimum distance =  2.38688822370202 Angstroms
sigma value = 75


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

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Energy: 1.176714158554971
Energy: 1.176908247100341
Energy: 1.3098808221516938
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minimum gb energy = 1.1765354721051493 eV
minimum distance =  2.24573030806318 Angstroms
sigma value = 105


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

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Energy: 1.3169776978686623
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Energy: 1.3390600702276434
Energy: 1.316995665697052
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Energy: 1.3845233977916285
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Energy: 1.3896657166960882
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Energy: 1.3075123343544237
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Energy: 1.3623438684076956
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Energy: 1.3521619246360617
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Energy: 1.4740927497375018
Energy: 1.2904451996578936
Energy: 1.3114456294048564
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Energy: 1.290445199656114
Energy: 1.3114456294007284
Energy: 1.474092749733409
Energy: 1.2904451996529822
Energy: 1.3114456294019028
Energy: 1.2575634804925495
Energy: 1.355370280029117
Energy: 1.355995113520601
Energy: 1.2575634804823712
Energy: 1.3553702800255938
Energy: 1.3559951135209924
Energy: 1.257563480483154
Energy: 1.355370280019935
Energy: 1.355995113514729
Energy: 1.2575634804911617
Energy: 1.2632607309167891
Energy: 1.3172102593939052
Energy: 1.2970643568817317
Energy: 1.2632607309210953
Energy: 1.3172337456517589
Energy: 1.2970643568797744
Energy: 1.2632607309222696
Energy: 1.3172102593921258
Energy: 1.297064356874863
Energy: 1.2632607309162196
Energy: 1.5076442748133507
Energy: 1.3167865240121255
Energy: 1.3242320363418103
Energy: 1.5076442748150949
Energy: 1.3167333555773577
Energy: 1.3242320363502096
Energy: 1.5076442748143117
Energy: 1.3167865240146879
Energy: 1.32423203635295
Energy: 1.5076442748196144
Energy: 1.3176527251415189
Energy: 1.3176943553064062
Energy: 1.3630495766841078
Energy: 1.3176527251364296
Energy: 1.3176943553067977
Energy: 1.3630495766919373
Energy: 1.3176527251407357
Energy: 1.3176943553030962
Energy: 1.3630495766905848
Energy: 1.3176527251332977
Energy: 1.2875400267335426
Energy: 1.4760122672490306
Energy: 1.3598990317778639
Energy: 1.2875400267317985
Energy: 1.475002925130129
Energy: 1.359899031778647
Energy: 1.2875400267362829
Energy: 1.4760122672531588
Energy: 1.3598990317774724
Energy: 1.2875400267317985
Energy: 1.3857847742071312
Energy: 1.340342957807167
Energy: 1.3621736178134922
Energy: 1.3857847742051737
Energy: 1.340343698556269
Energy: 1.3621736178127093
Energy: 1.3857847742028249
Energy: 1.3403429578065977
Energy: 1.3621736178101822
Energy: 1.3857847742045688
Energy: 1.3390051904597304
Energy: 1.3167043515059091
Energy: 1.3387763758752373
Energy: 1.3390051904560292
Energy: 1.316704608257044
Energy: 1.3387763758731017
Energy: 1.3390051904579867
Energy: 1.3167043515141306
Energy: 1.3387763758674078
Energy: 1.3390051904579867

minimum gb energy = 1.2465001258814363 eV
minimum distance =  2.34431745366213 Angstroms
sigma value = 165


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

Energy: 1.4697038891481742
Energy: 1.4072492462975965
Energy: 1.4104656908820217
Energy: 1.378219873584965
Energy: 1.4072492462969244
Energy: 1.4104656908779898
Energy: 1.4697038891441423
Energy: 1.4072492462908766
Energy: 1.410465690876646
Energy: 1.3782198735822773
Energy: 1.4895188272304392
Energy: 1.3670492115983823
Energy: 1.4935202897450068
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Energy: 1.493520289740303
Energy: 1.4895188272257351
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Energy: 1.4935202897470228
Energy: 1.4895188272257351
Energy: 1.392285915593325
Energy: 1.429380230963977
Energy: 1.398142969048693
Energy: 1.392285915593325
Energy: 1.429380230968681
Energy: 1.3980260164739626
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Energy: 1.4380809127512075
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Energy: 1.4075577056698834
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Energy: 1.465302925693024
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Energy: 1.4362778022227405
Energy: 1.4651614540322084
Energy: 1.4075577056665236
Energy: 1.4518422145335454
Energy: 1.4373216115548706
Energy: 1.5323109333248908
Energy: 1.367056909151758
Energy: 1.4373216115575587
Energy: 1.5323109333295946
Energy: 1.4518422145416092
Energy: 1.4373216115508387
Energy: 1.532310933325563
Energy: 1.367056909151758
Energy: 1.4223013790802899
Energy: 1.3175873111169751
Energy: 1.5888897522394065
Energy: 1.410497681700666
Energy: 1.317587311118991
Energy: 1.5460514447492237
Energy: 1.4223013790728982
Energy: 1.317587311118991
Energy: 1.5888897522400787
Energy: 1.4104976816979782
Energy: 1.442619687384434
Energy: 1.3675346921399203
Energy: 1.436393353761784
Energy: 1.442619687383762
Energy: 1.3675346921405922
Energy: 1.4363933537631277
Energy: 1.4426196873897794
Energy: 1.367534692141264
Energy: 1.4363933537637996
Energy: 1.4426196873938113
Energy: 1.4730556603347043
Energy: 1.3979457311683958
Energy: 1.4804084925600922
Energy: 1.473055660340752
Energy: 1.397945731167724
Energy: 1.4804084896731988
Energy: 1.473055660341424
Energy: 1.397945731162348
Energy: 1.4804084959830133
Energy: 1.4730556603394078
Energy: 1.4073566102232582
Energy: 1.4499136560321852
Energy: 1.3666141929944755
Energy: 1.4073566102198984
Energy: 1.4499136560321852
Energy: 1.3666141929978355
Energy: 1.4073566102232582
Energy: 1.4499136560261374
Energy: 1.3666141929944755
Energy: 1.4073566102219144
Energy: 1.3782198735802615
Energy: 1.4072492462962525
Energy: 1.4104656908820217
Energy: 1.3782198735775733
Energy: 1.4072492462989403
Energy: 1.4104656908793338
Energy: 1.3782198735775733
Energy: 1.4072492462949084
Energy: 1.410465690875302
Energy: 1.3782198735762294

minimum gb energy = 1.3175873111169751 eV
minimum distance =  2.32780341661921 Angstroms
sigma value = 41


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

Energy: 1.3015938434579946
Energy: 1.2880919772071433
Energy: 1.2975809307014279
Energy: 1.2939677222222146
Energy: 1.2880919772071433
Energy: 1.2975809307144168
Energy: 1.3015938434501728
Energy: 1.2880919771862853
Energy: 1.2975809307040351
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Energy: 1.2485075220301134
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Energy: 1.3540602330986666
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Energy: 1.3324996650587968
Energy: 1.3540602330960594
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Energy: 1.3324996650640113
Energy: 1.3540602330960594
Energy: 1.2433752274749645
Energy: 1.1971991076368147
Energy: 1.1913130019836182
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Energy: 1.1971991076342074
Energy: 1.191351292076576
Energy: 1.243375227477572
Energy: 1.1971991076342074
Energy: 1.1913130019810108
Energy: 1.2433752274749645
Energy: 1.2683233949813555
Energy: 1.2451617969161746
Energy: 1.1896961616910562
Energy: 1.268323394983963
Energy: 1.245161796921389
Energy: 1.1896603721952865
Energy: 1.268323394983963
Energy: 1.2451617969031383
Energy: 1.189696161701485
Energy: 1.2683233949787485
Energy: 1.1958900027807327
Energy: 1.3935194215878863
Energy: 1.2418060707364877
Energy: 1.195890002772911
Energy: 1.3935194215826718
Energy: 1.2418060707338805
Energy: 1.1958900027703037
Energy: 1.3935194216009223
Energy: 1.2418060707338805
Energy: 1.19589000278334
Energy: 1.1895343642584102
Energy: 1.1535955443217663
Energy: 1.1531715427846065
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Energy: 1.1535955443165518
Energy: 1.1531715427793923
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Energy: 1.1535955443035157
Energy: 1.153171542787214
Energy: 1.1895343642636247
Energy: 1.1866445160910375
Energy: 1.2076942958707384
Energy: 1.2404383090203748
Energy: 1.1866445160858228
Energy: 1.2076942958707384
Energy: 1.2404383090281965
Energy: 1.1866445161014187
Energy: 1.2076942958759527
Energy: 1.2404383090255893
Energy: 1.186644516104026
Energy: 1.3345672106491917
Energy: 1.1349820916322688
Energy: 1.2972085042015704
Energy: 1.334567210651799
Energy: 1.1349820916400908
Energy: 1.2972085037975918
Energy: 1.3345672106491917
Energy: 1.1349820916322688
Energy: 1.2972085042979906
Energy: 1.3345672106491917
Energy: 1.2954941544790475
Energy: 1.29200123805737
Energy: 1.1896549586257108
Energy: 1.2954941544738328
Energy: 1.29200123805737
Energy: 1.1616633336872042
Energy: 1.2954941544816545
Energy: 1.292001238059977
Energy: 1.189654958662212
Energy: 1.2954941544816545
Energy: 1.132222891070954
Energy: 1.2561112787392381
Energy: 1.2182026267326678
Energy: 1.1322228910579655
Energy: 1.2621323113962275
Energy: 1.1556273848760001
Energy: 1.1322228910735614
Energy: 1.2561112787314166
Energy: 1.218202626724846
Energy: 1.1322228910787757
Energy: 1.131128472967592
Energy: 1.2243483886176074
Energy: 1.2185917821744652
Energy: 1.1311284729649849
Energy: 1.224084040763202
Energy: 1.218352804238546
Energy: 1.1311284729754136
Energy: 1.2243483886176074
Energy: 1.218591782171858
Energy: 1.1311284729623774
Energy: 1.160786217911354
Energy: 1.1892061312745295
Energy: 1.2233205500761255
Energy: 1.1607862179087467
Energy: 1.1895268260155938
Energy: 1.223320550070911
Energy: 1.1607862179165682
Energy: 1.1892061312927802
Energy: 1.2233205500604822
Energy: 1.1607862179217827
Energy: 1.3650953306893436
Energy: 1.1894007985148942
Energy: 1.2056278087229664
Energy: 1.3650953306841294
Energy: 1.189231881078061
Energy: 1.2056278087307881
Energy: 1.3650953306945584
Energy: 1.189400798522716
Energy: 1.2056278087151449
Energy: 1.3650953306971656
Energy: 1.28642674773946
Energy: 1.2951546892940582
Energy: 1.1875488521432804
Energy: 1.3120139372427435
Energy: 1.2951546892966654
Energy: 1.1875488521406734
Energy: 1.311852641870559
Energy: 1.2951546893070942
Energy: 1.1875488521406734
Energy: 1.3523536706589234

minimum gb energy = 1.1294507271264416 eV
minimum distance =  2.24621195675382 Angstroms
sigma value = 185


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

Energy: 0.79910494104965
Energy: 0.6200737668393171
Energy: 0.6221938537038807
Energy: 0.5911964911303518
Energy: 0.6200737668526253
Energy: 0.6221938537001667
Energy: 0.7991049410533639
Energy: 0.6200737668486019
Energy: 0.6221938537150224
Energy: 0.5911964911309707
Energy: 0.7420974956318279
Energy: 0.6196117161762206
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Energy: 0.5904156699159733
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Energy: 0.5904156699035935
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Energy: 0.666960748604827
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Energy: 0.5497348844508599
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Energy: 0.7926447416310206
Energy: 0.638463721661806
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Energy: 0.6674381991992865
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Energy: 0.6270197564986079
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Energy: 0.7143620412361851
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Energy: 0.6211167423192424
Energy: 0.590410052608769
Energy: 0.7401684434281953
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Energy: 0.7401684434365234
Energy: 0.7270100369929421
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Energy: 0.6221938537069756
Energy: 0.5911964911297328
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Energy: 0.6221938537178079
Energy: 0.5911964911306612
Energy: 0.7420974956268761
Energy: 0.6196117161728162
Energy: 0.6476992376874529
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Energy: 0.5904156699063791
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Energy: 0.746517430877192
Energy: 0.6219163168008185
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Energy: 0.7465174308737876
Energy: 0.6219163167961761
Energy: 0.7133745177020352
Energy: 0.7465174308722402
Energy: 0.666960748589071
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Energy: 0.7926447416362821
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Energy: 0.7926447416338062
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Energy: 0.638463721659949
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Energy: 0.7926447416341156
Energy: 0.6674381992020718
Energy: 0.7158429378492087
Energy: 0.7290336635555894
Energy: 0.667438199194644
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Energy: 0.7290336635605413
Energy: 0.6674381991986674
Energy: 0.7158429378433284
Energy: 0.7290336635620888
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Energy: 0.790572684713809
Energy: 0.5495948515965973
Energy: 0.6212043326433038
Energy: 0.7905726847243317
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Energy: 0.6212043326330905
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Energy: 0.5495948515987636
Energy: 0.6212043326364949
Energy: 0.7905726847203083
Energy: 0.6270197564945843
Energy: 0.7143620412402085
Energy: 0.622059527981319
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Energy: 0.6270197564890135
Energy: 0.714362041241756
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Energy: 0.7401684434445702
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Energy: 0.5911964911309707
Energy: 0.7420974956318279
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Energy: 0.6476992377001138
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Energy: 0.6219163168079368
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Energy: 0.7465174308750256
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Energy: 0.7133745177004878
Energy: 0.7465174308753352
Energy: 0.6669607485939947
Energy: 0.620855996956701
Energy: 0.5497348844505505
Energy: 0.6669607485989466
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Energy: 0.5497348844542644
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Energy: 0.6208559969529871
Energy: 0.5497348844508599
Energy: 0.6669607486116357
Energy: 0.79264474163133
Energy: 0.6384637216630439
Energy: 0.7159273441341764
Energy: 0.7926447416291637
Energy: 0.6384637216661389
Energy: 0.7159273441372712
Energy: 0.7926447416248309
Energy: 0.638463721657473
Energy: 0.7159273441292247
Energy: 0.7926447416316396
Energy: 0.6674381991992865
Energy: 0.7158429378470422
Energy: 0.7290336635577559
Energy: 0.667438199192787
Energy: 0.7158429378321867
Energy: 0.7290336635605413
Energy: 0.6674381991980485
Energy: 0.7158429378383764
Energy: 0.7290336635605413
Energy: 0.6674381991955723
Energy: 0.7905726847153565
Energy: 0.5495948515938118
Energy: 0.62120433263959
Energy: 0.7905726847277362
Energy: 0.5495948515972161
Energy: 0.6212043326290672
Energy: 0.7905726847196893
Energy: 0.5495948515953593
Energy: 0.6212043326361855
Energy: 0.7905726847206177
Energy: 0.6270197564986079
Energy: 0.7143620412377325
Energy: 0.6220595279788432
Energy: 0.6270197565041786
Energy: 0.7143620412290668
Energy: 0.6220595279757483
Energy: 0.627019756490561
Energy: 0.7143620412364945
Energy: 0.62205952798689
Energy: 0.6270197564933464
Energy: 0.5904100526109354
Energy: 0.548816814745148
Energy: 0.6211167423257136
Energy: 0.5904100526202202
Energy: 0.5488168147352442
Energy: 0.6211167423170761
Energy: 0.5904100526090785
Energy: 0.5488168147361726
Energy: 0.6211167423195519
Energy: 0.5904100526084595
Energy: 0.7401684434281953
Energy: 0.7270100369873713
Energy: 0.6199988519298953
Energy: 0.7401684434365234
Energy: 0.7270100369935611
Energy: 0.6199988519249435
Energy: 0.7401684434396184
Energy: 0.7270100369954181
Energy: 0.6199988519286573
Energy: 0.7401684434365234

minimum gb energy = 0.5486678177888462 eV
minimum distance =  2.37931190098598 Angstroms
sigma value = 33


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

Energy: 1.1171032605706848
Energy: 1.1476272348224628
Energy: 1.1476546664478222
Energy: 1.1093536093998217
Energy: 1.147627234836055
Energy: 1.1476546664444243
Energy: 1.1171032605638886
Energy: 1.14762723482756
Energy: 1.1476546664512204
Energy: 1.109353609396424
Energy: 1.145891165495208
Energy: 1.1304770657510892
Energy: 1.135260407204987
Energy: 1.145891165500305
Energy: 1.13047706574939
Energy: 1.1352604072100838
Energy: 1.145891165496907
Energy: 1.1304770657595844
Energy: 1.1352604072100838
Energy: 1.1458911654884119
Energy: 1.0768055041786162
Energy: 1.086020207981242
Energy: 1.0727279534810925
Energy: 1.1091172719125513
Energy: 1.0860202079863392
Energy: 1.0887538373898233
Energy: 1.092748959673771
Energy: 1.0860202079914363
Energy: 1.0887538374000174
Energy: 1.0871299675323172
Energy: 1.1288719650350587
Energy: 1.1075314800297664
Energy: 1.1262769477176484
Energy: 1.1288719650435537
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Energy: 1.1262769477159496
Energy: 1.1288719650367576
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Energy: 1.1262769477074543
Energy: 1.1288719650333596
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Energy: 1.1386127183919783
Energy: 1.0813797134876686
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Energy: 1.0813797134893677
Energy: 1.1344520901752055
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Energy: 1.0813797134961636
Energy: 1.1344520901718074
Energy: 1.1538596414643771
Energy: 1.1720093775990297
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Energy: 1.1707160367824465
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Energy: 1.151483424562377
Energy: 1.1355662586883335
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Energy: 1.1253876535109608
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Energy: 1.1431004008427177
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Energy: 1.147654318924302
Energy: 1.1306165788179696
Energy: 1.1309281667229651
Energy: 1.1280898355224243
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Energy: 1.1313460776032251
Energy: 1.1273762545152861
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Energy: 1.1309281667280315
Energy: 1.1280898355274904
Energy: 1.1306165788145717
Energy: 1.0858337480346494
Energy: 1.0793253726389487
Energy: 1.0869862605530882
Energy: 1.0858337480329503
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Energy: 1.0869457208982418
Energy: 1.0858337480329503
Energy: 1.0793253726253875
Energy: 1.0869862605479912
Energy: 1.0858337480448124
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Energy: 1.134831291551897
Energy: 1.130476450395304
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Energy: 1.1348312915468
Energy: 1.130476450390207
Energy: 1.1373049381741727
Energy: 1.1348312915484988
Energy: 1.130476450386809
Energy: 1.1484706801758646
Energy: 1.0725275595933472
Energy: 1.1520361008006028
Energy: 1.1484706801639715
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Energy: 1.1520361007989037
Energy: 1.1484706801639715
Energy: 1.0725275595950463
Energy: 1.1520361007870106
Energy: 1.1484706801673694
Energy: 1.1408798030543983
Energy: 1.1356342450329429
Energy: 1.1352444378314934
Energy: 1.1408798030510001
Energy: 1.1356342450227486
Energy: 1.1352444378399886
Energy: 1.1408798030543983
Energy: 1.1356342450210497
Energy: 1.1352444378348916
Energy: 1.140879803047602
Energy: 1.1523367564262874
Energy: 1.1704695265424987
Energy: 1.0825595501293046
Energy: 1.1523367564126954
Energy: 1.1704695265374017
Energy: 1.0825595501259064
Energy: 1.1523367564177924
Energy: 1.1704695265340037
Energy: 1.0825595501361007
Energy: 1.1523367564211906
Energy: 1.082596799963211
Energy: 1.125823657079702
Energy: 1.109074789324288
Energy: 1.082596799976803
Energy: 1.125823657089896
Energy: 1.1090747893310842
Energy: 1.0825967999700068
Energy: 1.125823657093294
Energy: 1.1090747893361812
Energy: 1.082596799976803
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Energy: 1.1080211191567584
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Energy: 1.152637364660103
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Energy: 1.1679545348262592
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Energy: 1.1375282169864138
Energy: 1.1315157479399827
Energy: 1.0846398393582632
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Energy: 1.1315157479280895
Energy: 1.084690553144096
Energy: 1.1387124255627992
Energy: 1.1315157479382836
Energy: 1.0846398393531662
Energy: 1.1388348193964588
Energy: 1.1315157479382836
Energy: 1.0840715479574807
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Energy: 1.108595317570619
Energy: 1.0840715479574807
Energy: 1.123375019617966
Energy: 1.108595317558757
Energy: 1.0840715479591796
Energy: 1.123375019621364
Energy: 1.108595317567221
Energy: 1.0840715479540828
Energy: 1.1406406156184685
Energy: 1.1213208778746382
Energy: 1.1432149963509286
Energy: 1.140640615632061
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Energy: 1.1432149963407654
Energy: 1.1406406156235658
Energy: 1.121320877866143
Energy: 1.1432149963475613
Energy: 1.1406406156235658
Energy: 1.1515430964746478
Energy: 1.149715624537216
Energy: 1.1478177802687202
Energy: 1.1515430964814437
Energy: 1.149715624532119
Energy: 1.147817780265322
Energy: 1.1515430964763467
Energy: 1.149715624537216
Energy: 1.147817780267021
Energy: 1.1515430964763467
Energy: 1.1464169470427628
Energy: 1.1407281751816412
Energy: 1.1515580805721286
Energy: 1.146416947051258
Energy: 1.140728175188437
Energy: 1.1515580805823225
Energy: 1.1464169470529568
Energy: 1.140728175185039
Energy: 1.1515580805653323
Energy: 1.1464169470393648
Energy: 1.0793289987062828
Energy: 1.1085682419899674
Energy: 1.1222726658354716
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Energy: 1.1085682419831713
Energy: 1.1222726658388695
Energy: 1.0793289987062828
Energy: 1.1085682419865694
Energy: 1.1222726658422677
Energy: 1.0793289987045838

minimum gb energy = 1.0697869496329717 eV
minimum distance =  2.24918511807127 Angstroms
sigma value = 219


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

Energy: 1.5116844031673013
Energy: 1.598182662203634
Energy: 1.5981881037566823
Energy: 1.5116844031673013
Energy: 1.5981826622047586
Energy: 1.5981881037578067
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Energy: 1.5178675577323864
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Energy: 1.5453213661838718
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Energy: 1.5165202953794217
Energy: 1.601786467445935
Energy: 1.5168702939272585
Energy: 1.581194689509874
Energy: 1.6017864674436861
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Energy: 1.601786467445935
Energy: 1.5168702939272585
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Energy: 1.5175193641063442
Energy: 1.6023211017507395
Energy: 1.509129415819925
Energy: 1.5175193641063442
Energy: 1.508832642030335
Energy: 1.5495494933472096
Energy: 1.5163379150757874
Energy: 1.5088319903581575
Energy: 1.5495494933472096
Energy: 1.5163379150757874
Energy: 1.5088321051844733
Energy: 1.5495494933483343
Energy: 1.5163379150769116
Energy: 1.508833039597448
Energy: 1.5091071075658844
Energy: 1.5968571093641195
Energy: 1.6020233303646843
Energy: 1.5091071075670086
Energy: 1.5968571093641195
Energy: 1.6020233303646843
Energy: 1.5091071075658844
Energy: 1.5968571093629949
Energy: 1.6020233303646843
Energy: 1.50910710756476
Energy: 1.5564995197765885
Energy: 1.555339566231661
Energy: 1.6050702252321967
Energy: 1.556499519777713
Energy: 1.555339566231661
Energy: 1.6050702252288236
Energy: 1.5564995197765885
Energy: 1.5553395662339096
Energy: 1.6050702252310725
Energy: 1.5564995197765885

minimum gb energy = 1.5088319903581575 eV
minimum distance =  2.29941426615087 Angstroms
sigma value = 15


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

Energy: 1.785107835744362
Energy: 1.7354666165055372
Energy: 1.7353472763879312
Energy: 1.7851078357485093
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Energy: 1.7354773660258545
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Energy: 1.730424112592719
Energy: 1.735477366032076
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Energy: 1.7765693974383616
Energy: 1.7226352220538674
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Energy: 1.722635222055979
Energy: 1.760137786453232
Energy: 1.7765693974383616
Energy: 1.7226352220497199
Energy: 1.7719291713516534
Energy: 1.7869388586273893
Energy: 1.709187886221934
Energy: 1.7686087003604887
Energy: 1.7869388586253532
Energy: 1.709187886219898
Energy: 1.768608700364636
Energy: 1.7869388586273893
Energy: 1.709187886219898
Energy: 1.7686087003604887
Energy: 1.7869388586253532
Energy: 1.7095659112311843
Energy: 1.7881903045998762
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minimum gb energy = 1.703814859387636 eV
minimum distance =  2.28688985761274 Angstroms
sigma value = 293


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

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Energy: 1.7048948569128133
Energy: 1.7102339955763297
Energy: 1.743200951530452
Energy: 1.7048948569166231
Energy: 1.7102339955768375
Energy: 1.7432009515390876
Energy: 1.8234329050846054
Energy: 1.814016819099494
Energy: 1.7102923543022004
Energy: 1.8163360756432723
Energy: 1.814016819098478
Energy: 1.7102923542986448
Energy: 1.823432905090193
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Energy: 1.816336075642764
Energy: 1.748344996217341
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Energy: 1.7701940067956987
Energy: 1.7384587579733386
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Energy: 1.7701940067939206
Energy: 1.748344996213277
Energy: 1.757540207205874
Energy: 1.7701940067977302
Energy: 1.7384587579746085
Energy: 1.7899845187230699
Energy: 1.704688525735977
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Energy: 1.7899845187251016
Energy: 1.7046885257405489
Energy: 1.7897788895238456
Energy: 1.7899845187248478
Energy: 1.7046885257420727
Energy: 1.78977888951775
Energy: 1.789984518721292
Energy: 1.7513087138858912
Energy: 1.7102107515478608
Energy: 1.7137265460102846
Energy: 1.7513087138808345
Energy: 1.710122284679902
Energy: 1.7137265460135864
Energy: 1.751308713887923
Energy: 1.7102107515384637
Energy: 1.7137265460163804
Energy: 1.7513087138818504
Energy: 1.7613099254310152
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Energy: 1.8033072455033317
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Energy: 1.7613099254310152
Energy: 1.8264932908099465
Energy: 1.7195712156247787
Energy: 1.7371608574857182
Energy: 1.8264932908114704
Energy: 1.7195712156278267
Energy: 1.7371608574829245
Energy: 1.826493290816296
Energy: 1.7195712156275726
Energy: 1.7371608574816544
Energy: 1.826493290818836
Energy: 1.7205461585621964
Energy: 1.8371958663842556
Energy: 1.7228216651305215
Energy: 1.720546158557371
Energy: 1.8371958663857795
Energy: 1.7228264556886599
Energy: 1.7205461585667683
Energy: 1.8371958663875576
Energy: 1.7228216651254415
Energy: 1.7205461585670223
Energy: 1.7035566638832198
Energy: 1.753749740943688
Energy: 1.793688391133207
Energy: 1.7035566638880455
Energy: 1.753749740937592
Energy: 1.7936883911258414
Energy: 1.7035566638890611
Energy: 1.753749740935814
Energy: 1.7936883911288892
Energy: 1.7035566638832198
Energy: 1.828212313387098
Energy: 1.764532790336807
Energy: 1.7652181527547215
Energy: 1.828212313385574
Energy: 1.7645327903342904
Energy: 1.7652181527582773
Energy: 1.828212313383034
Energy: 1.7645327903330204
Energy: 1.7652181527562456
Energy: 1.8282123133898918
Energy: 1.7032121059507352
Energy: 1.7929985034350178
Energy: 1.744683358110873
Energy: 1.7032121059481955
Energy: 1.7929985034360336
Energy: 1.7446833581149368
Energy: 1.703212105950989
Energy: 1.7929985034347635
Energy: 1.7446833581192545
Energy: 1.7032121059555378
Energy: 1.7037580658146065
Energy: 1.722610870669703
Energy: 1.8361595969172053
Energy: 1.7037580658128286
Energy: 1.7226108706658934
Energy: 1.8361595969128874
Energy: 1.70375806581994
Energy: 1.7226108706618295
Energy: 1.8361595969121256
Energy: 1.7037580658115585
Energy: 1.8265670422491846
Energy: 1.7423616020680208
Energy: 1.718819038500074
Energy: 1.8265670422484228
Energy: 1.7423616020713228
Energy: 1.7188251017886704
Energy: 1.8265670422466447
Energy: 1.7423616020736086
Energy: 1.7188190384952482
Energy: 1.8265670422484228
Energy: 1.7327050757547375
Energy: 1.8066410446082846
Energy: 1.710832673439764
Energy: 1.73270507575169
Energy: 1.8066410446118404
Energy: 1.7108326734400183
Energy: 1.732705075747118
Energy: 1.8066410446118404
Energy: 1.7108326734384942
Energy: 1.7327050757445783

minimum gb energy = 1.7032121059481955 eV
minimum distance =  2.24837733928504 Angstroms
sigma value = 293


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

Energy: 1.7454927851029298
Energy: 1.7474548739313043
Energy: 1.7474337368701363
Energy: 1.7454927851020117
Energy: 1.7474548739299274
Energy: 1.7474337368669226
Energy: 1.7454927850969624
Energy: 1.7474548739299274
Energy: 1.747433736868759
Energy: 1.7454927850992574
Energy: 1.747091588763585
Energy: 1.7460639927133064
Energy: 1.748344653726081
Energy: 1.7470915887585354
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Energy: 1.7470915887608307
Energy: 1.7460639927013712
Energy: 1.7483446537348029
Energy: 1.747091588763126
Energy: 1.7470051496977554
Energy: 1.747077784370211
Energy: 1.7013067239516357
Energy: 1.7470051497018868
Energy: 1.7470777843729655
Energy: 1.7013067239530126
Energy: 1.747005149696378
Energy: 1.7470777843766376
Energy: 1.7013067239470454
Energy: 1.747005149696837
Energy: 1.7014294823783573
Energy: 1.7469209271990007
Energy: 1.7469894353948512
Energy: 1.7014299282665382
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Energy: 1.7469894353971465
Energy: 1.7014294611208856
Energy: 1.7469209272022141
Energy: 1.7469894353939333
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Energy: 1.7474337368669226
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Energy: 1.747091588764503
Energy: 1.7460639927142245
Energy: 1.7483446537169
Energy: 1.74709158876588
Energy: 1.7460639927137656
Energy: 1.748344653725163
Energy: 1.7470915887700118
Energy: 1.7460639927055026
Energy: 1.7470777843766376
Energy: 1.7013067239429136
Energy: 1.7470051496982144
Energy: 1.7470777843738832
Energy: 1.7013067239447501
Energy: 1.7470051497018868
Energy: 1.747077784381228
Energy: 1.7013067239516357
Energy: 1.7470051496991323
Energy: 1.7470777843761784
Energy: 1.7469209271962882
Energy: 1.7469894353902609
Energy: 1.701429475033128
Energy: 1.7469209272017552
Energy: 1.7469894353879656
Energy: 1.7014296166034617
Energy: 1.746920927201296
Energy: 1.746989435401737
Energy: 1.7014295311629744
Energy: 1.7469209271994597
Energy: 1.746040873968354
Energy: 1.747083818592965
Energy: 1.7484801281061304
Energy: 1.746040873969272
Energy: 1.7470838185920472
Energy: 1.7484801281070486
Energy: 1.7460408739674358
Energy: 1.747083818592965
Energy: 1.7484801281070486
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Energy: 1.747433736867841
Energy: 1.745492785110692
Energy: 1.747454873928091
Energy: 1.7474337368669226
Energy: 1.7454927851015527
Energy: 1.7474548739257958
Energy: 1.747433736867841
Energy: 1.7483446537219496
Energy: 1.747091588771848
Energy: 1.7460639927064208
Energy: 1.7483446537214906
Energy: 1.7470915887686347
Energy: 1.7460639927064208
Energy: 1.748344653725622
Energy: 1.7470915887594536
Energy: 1.7460639927119292
Energy: 1.7483446537306715
Energy: 1.7013067239511768
Energy: 1.7470051496982144
Energy: 1.7470777843784737
Energy: 1.701306723952095
Energy: 1.7470051496991323
Energy: 1.747077784371129
Energy: 1.7013067239516357
Energy: 1.7470051497000507
Energy: 1.7470777843775558
Energy: 1.7013067239351096
Energy: 1.7469894353966875
Energy: 1.7014298867624658
Energy: 1.7469209271962882
Energy: 1.7469894353966875
Energy: 1.7014299271960733
Energy: 1.7469209272022141
Energy: 1.7469894353957693
Energy: 1.7014294604335196
Energy: 1.746920927194911
Energy: 1.7469894353971465
Energy: 1.747083818602605
Energy: 1.7484801281075075
Energy: 1.74604087397019
Energy: 1.7470838185911288
Energy: 1.748480128110262
Energy: 1.7460408739720263
Energy: 1.7470838185865383
Energy: 1.748480128118984
Energy: 1.7460408739678948
Energy: 1.7470838185948014
Energy: 1.7454927850997164
Energy: 1.7474548739216642
Energy: 1.7474337368683
Energy: 1.7454927851015527
Energy: 1.7474548739267137
Energy: 1.7474337368646273
Energy: 1.7454927851152826
Energy: 1.747454873926255
Energy: 1.7474337368673818
Energy: 1.7454927851079378
Energy: 1.74709158876588
Energy: 1.7460639927105521
Energy: 1.748344653726081
Energy: 1.7470915887672573
Energy: 1.746063992699535
Energy: 1.7483446537311305
Energy: 1.74709158876588
Energy: 1.746063992709175
Energy: 1.748344653725622
Energy: 1.7470915887667984
Energy: 1.7470051497018868
Energy: 1.7470777843734242
Energy: 1.7013067239401594
Energy: 1.7470051496986734
Energy: 1.7470777843761784
Energy: 1.7013067239419957
Energy: 1.7470051496995915
Energy: 1.7470777843789327
Energy: 1.7013067239456678
Energy: 1.7470051496986734
Energy: 1.7014295675031845
Energy: 1.7469209271990007
Energy: 1.7469894353953104
Energy: 1.7014295882829933
Energy: 1.7469209271967474
Energy: 1.7469894353939333
Energy: 1.7014301509284373
Energy: 1.746920927201296
Energy: 1.7469894353985236
Energy: 1.70142954360229
Energy: 1.7484801281093438
Energy: 1.7460408739669768
Energy: 1.7470838185948014
Energy: 1.748480128110721
Energy: 1.7460408739678948
Energy: 1.7470838185975555
Energy: 1.7484801281134752
Energy: 1.7460408739734035
Energy: 1.747083818592506
Energy: 1.748480128110262
Energy: 1.7474548739303863
Energy: 1.7474337368655457
Energy: 1.7454927851134463
Energy: 1.747454873928091
Energy: 1.7474337368650865
Energy: 1.745492785105225
Energy: 1.7474548739303863
Energy: 1.747433736867841
Energy: 1.7454927851125281
Energy: 1.747454873927173
Energy: 1.7460639927059618
Energy: 1.7483446537269993
Energy: 1.7470915887695526
Energy: 1.746063992707339
Energy: 1.7483446537302125
Energy: 1.7470915887589944
Energy: 1.7460639927059618
Energy: 1.7483446537325076
Energy: 1.7470915887681757
Energy: 1.7460639927064208

minimum gb energy = 1.7013067239351096 eV
minimum distance =  2.32434149920103 Angstroms
sigma value = 15


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

Energy: 1.7037515799590124
Energy: 1.7208844809578139
Energy: 1.7621891246460162
Energy: 1.7041840477847683
Energy: 1.7208844809598949
Energy: 1.7621891246252452
Energy: 1.7037515799714977
Energy: 1.7208844809578139
Energy: 1.7621891246439354
Energy: 1.704184047786849
Energy: 1.7447954574875644
Energy: 1.663103445266958
Energy: 1.6598832394516394
Energy: 1.7447954574896452
Energy: 1.663103445266958
Energy: 1.6598832394495584
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Energy: 1.663103445281524
Energy: 1.659883239443316
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Energy: 1.6474688503490629
Energy: 1.6484256320924033
Energy: 1.8761317415260954
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Energy: 1.6484256320882416
Energy: 1.8761317415219338
Energy: 1.6474688503532247
Energy: 1.6484256320965651
Energy: 1.8761317415364998
Energy: 1.6474688503490629
Energy: 1.6516629150593816
Energy: 1.6480472280716052
Energy: 1.6519614189039735
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Energy: 1.6519614188894072
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Energy: 1.6421245353373208
Energy: 1.7093467572451235
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Energy: 1.744992208862466
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Energy: 1.6827627827941543
Energy: 1.6884262097269722
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Energy: 1.6590006679177947
Energy: 1.8993255093012864
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Energy: 1.6236768118200022
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Energy: 1.6381001668046176
Energy: 1.6473180076924359
Energy: 1.7396839590408584
Energy: 1.638166952168839
Energy: 1.6473180077028025
Energy: 1.7396839590470632
Energy: 1.6381001667983746
Energy: 1.647318007709045
Energy: 1.7396839590429394
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Energy: 1.6455776453260007
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Energy: 1.900539494766421
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Energy: 1.6369969930540902
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Energy: 1.6693352223920952
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Energy: 1.6421676800008602
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Energy: 1.7698599026492894
Energy: 1.6421676799904559
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Energy: 1.7698599026430468
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Energy: 1.6909990743352805
Energy: 1.6570336664768353
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Energy: 1.6907559028365762
Energy: 1.6561989246940234
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Energy: 1.657033666472674
Energy: 1.669993804556417
Energy: 1.6907559028303334
Energy: 1.6460734371775199
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Energy: 1.6248822355498127
Energy: 1.6460734371650347
Energy: 1.7211986449309702
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Energy: 1.6460734371650347
Energy: 1.7211986449309702
Energy: 1.6248822355394084
Energy: 1.646073437175439
Energy: 1.6546627867744563
Energy: 1.7087237421493024
Energy: 1.6799732993406051
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Energy: 1.7087237421451407
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Energy: 1.6546627867744563
Energy: 1.7087237421430599
Energy: 1.6799732993385241
Energy: 1.6546627867661325
Energy: 1.659449372606928
Energy: 1.694360025123354
Energy: 1.6868326961795141
Energy: 1.6593975195966766
Energy: 1.694360025123354
Energy: 1.733736908237122
Energy: 1.6594493726152513
Energy: 1.694360025123354
Energy: 1.68683269619408
Energy: 1.6593975195862722
Energy: 1.7562277919223086
Energy: 1.624572408151037
Energy: 1.7465794597101025
Energy: 1.7562277919285512
Energy: 1.6245724081489563
Energy: 1.7465794597142263
Energy: 1.7562277919264702
Energy: 1.6245724081593227
Energy: 1.7465794597101025
Energy: 1.7562277919160658
Energy: 1.649793804622875
Energy: 1.6700196039976374
Energy: 1.8936009062495918
Energy: 1.6497938046395217
Energy: 1.6700196039976374
Energy: 1.8936009062578776
Energy: 1.6497938046332794
Energy: 1.6700196039997184
Energy: 1.8936009062495918
Energy: 1.6497938045729341
Energy: 1.714598200305847
Energy: 1.6389790126925783
Energy: 1.6779248249053593
Energy: 1.7352420475153498
Energy: 1.638971532466582
Energy: 1.67792482490744
Energy: 1.7145982003120894
Energy: 1.6389790127008639
Energy: 1.677924824897036
Energy: 1.735242047509107
Energy: 1.6816202487668437
Energy: 1.6380500245353322
Energy: 1.6480757119534455
Energy: 1.6816202487647627
Energy: 1.6380500245374132
Energy: 1.6480757119472031
Energy: 1.6816202487668437
Energy: 1.638050024541575
Energy: 1.6480757119492837
Energy: 1.6816202487626821
Energy: 1.6785866430660221
Energy: 1.7287291927372692
Energy: 1.6687994362581848
Energy: 1.678586643070184
Energy: 1.7287291927393498
Energy: 1.6688019369002312
Energy: 1.678586643070184
Energy: 1.7287291927289454
Energy: 1.668799436254023
Energy: 1.6785866430639411
Energy: 1.626863759842926
Energy: 1.680509476229246
Energy: 1.642844952039875
Energy: 1.6268637598554112
Energy: 1.680509476216761
Energy: 1.6428449520377941
Energy: 1.6268637598574922
Energy: 1.6805094762043136
Energy: 1.6428449520294706
Energy: 1.626863759840845
Energy: 1.6730884535304378
Energy: 1.6346664806146105
Energy: 1.6364637671957543
Energy: 1.674609163006427
Energy: 1.6346664806104487
Energy: 1.6364637672061586
Energy: 1.6730884535408042
Energy: 1.6346664806312576
Energy: 1.6364637671853879
Energy: 1.674609162987737
Energy: 1.6700069674619935
Energy: 1.6517884891341783
Energy: 1.7491884388238728
Energy: 1.6731919143413214
Energy: 1.6517884891300165
Energy: 1.8450449125220547
Energy: 1.670006967468236
Energy: 1.6517884891300165
Energy: 1.7491884388238728
Energy: 1.6731919143413214
Energy: 1.6248326009599745
Energy: 1.7774159616678937
Energy: 1.6821244963984465
Energy: 1.624832600953732
Energy: 1.777415961663732
Energy: 1.6821244963963655
Energy: 1.6248326009578935
Energy: 1.7774159616658127
Energy: 1.6821244963922037
Energy: 1.6248326009454084
Energy: 1.7002561637496463
Energy: 1.6624431400596058
Energy: 1.8115598121594123
Energy: 1.7002561637496463
Energy: 1.662443140072053
Energy: 1.811559812165655
Energy: 1.700256163753808
Energy: 1.6624431400637674
Energy: 1.8115598121594123
Energy: 1.7002561637434037
Energy: 1.6812122618499203
Energy: 1.645820422521032
Energy: 1.6338182204437472
Energy: 1.6812122618416345
Energy: 1.645820422521032
Energy: 1.6337293416089596
Energy: 1.6812122618437153
Energy: 1.6458204225251938
Energy: 1.6338182204458283
Energy: 1.6812122618395535
Energy: 1.6916465935453395
Energy: 1.7555417291797668
Energy: 1.638160513534013
Energy: 1.6916465935474203
Energy: 1.755541729175605
Energy: 1.6381605135381747
Energy: 1.6916465935474203
Energy: 1.7555417291652007
Energy: 1.6381605135423363
Energy: 1.6916465935495009
Energy: 1.652227803144115
Energy: 1.8647521171841686
Energy: 1.6698292502816416
Energy: 1.652227803144115
Energy: 1.8647521171904111
Energy: 1.6698292502774799
Energy: 1.6522278031566004
Energy: 1.86475211718833
Energy: 1.6698292502733563
Energy: 1.6522278031524387
Energy: 1.7471268554785948
Energy: 1.7126901949016742
Energy: 1.6269060600068057
Energy: 1.7471268554744328
Energy: 1.7126901949099598
Energy: 1.6269060599943204
Energy: 1.7471268554765138
Energy: 1.7126901948954316
Energy: 1.6269060599922394
Energy: 1.7471268554765138
Energy: 1.654706842964968
Energy: 1.725705105828969
Energy: 1.6809762672629749
Energy: 1.6547068429753726
Energy: 1.72570510583105
Energy: 1.6809762672504898
Energy: 1.654706842964968
Energy: 1.7257051058268882
Energy: 1.6809762672546513
Energy: 1.654706842964968
Energy: 1.6466288398385973
Energy: 1.6800303658262339
Energy: 1.6779591447887456
Energy: 1.6466288398281932
Energy: 1.6810820593539137
Energy: 1.6784336271594817
Energy: 1.6466288398198696
Energy: 1.6800303658303954
Energy: 1.6779591447866646
Energy: 1.6466288398365165
Energy: 1.7157996584652995
Energy: 1.623949790645188
Energy: 1.7120762978239532
Energy: 1.7157996584569761
Energy: 1.6239497906493499
Energy: 1.7120762978322768
Energy: 1.7157996584673805
Energy: 1.6239497906514306
Energy: 1.7120762978406003
Energy: 1.7157996584673805
Energy: 1.7059979466052575
Energy: 1.8023376061663696
Energy: 1.656602474928229
Energy: 1.7059979465990152
Energy: 1.8023376061809357
Energy: 1.656602474934434
Energy: 1.705997946613581
Energy: 1.8023376061850975
Energy: 1.656602474934434
Energy: 1.7059979466031767
Energy: 1.7219559441635415
Energy: 1.6382334215622547
Energy: 1.6595348935689074
Energy: 1.7219559441614607
Energy: 1.6380259907934973
Energy: 1.6595348935751502
Energy: 1.7219559441614607
Energy: 1.638233421570578
Energy: 1.6595348935668266
Energy: 1.7219559441593797
Energy: 1.6788687869357921
Energy: 1.662524991341451
Energy: 1.6464824144536163
Energy: 1.6788687869295496
Energy: 1.6625249913456128
Energy: 1.6464824144515355
Energy: 1.6788687869378731
Energy: 1.6625249913331275
Energy: 1.6464824144619399
Energy: 1.6788687869441157
Energy: 1.7458448200471306
Energy: 1.692810378574863
Energy: 1.6626004378793315
Energy: 1.7458448200471306
Energy: 1.6928103785665396
Energy: 1.6626057198832747
Energy: 1.7458448200471306
Energy: 1.692810378570701
Energy: 1.6626004378668464
Energy: 1.745844820055454
Energy: 1.6271278694167826
Energy: 1.6787327380805026
Energy: 1.8315833065497649
Energy: 1.6271278694147018
Energy: 1.6787327380805026
Energy: 1.8315833065539264
Energy: 1.6271278694188636
Energy: 1.6787327380825834
Energy: 1.831583306545641
Energy: 1.6271278694105398
Energy: 1.669146279066668
Energy: 1.8496963168909615
Energy: 1.6519976490639123
Energy: 1.668970651943964
Energy: 1.8496963168909615
Energy: 1.6519976490743167
Energy: 1.6691462790583445
Energy: 1.8496963168930423
Energy: 1.6519976490618316
Energy: 1.668970651946045

minimum gb energy = 1.6236768118158407 eV
minimum distance =  2.2504583232391 Angstroms
sigma value = 437


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

Energy: 1.5022032680513844
Energy: 1.7013405767408163
Energy: 1.7010581685506077
Energy: 1.5022032680513844
Energy: 1.7013405767423324
Energy: 1.7010581685483332
Energy: 1.5022032680513844
Energy: 1.701340576740058
Energy: 1.7010581685506077
Energy: 1.5022032680521427
Energy: 1.5663994541974078
Energy: 1.468314469289078
Energy: 1.4779308732479408
Energy: 1.5663994541951334
Energy: 1.4683144692852874
Energy: 1.477930873250973
Energy: 1.5663994541928592
Energy: 1.4683144692898362
Energy: 1.477930873249457
Energy: 1.5663994541958917
Energy: 1.63169433048417
Energy: 1.4548810878274792
Energy: 1.4630385557829864
Energy: 1.6316943304818956
Energy: 1.4548810878282372
Energy: 1.4630434137858945
Energy: 1.631694330484928
Energy: 1.4548810878289953
Energy: 1.4627746349873885
Energy: 1.6316943304826539
Energy: 1.4836997490925354
Energy: 1.5662913444420576
Energy: 1.4847341811486727
Energy: 1.483699749081164
Energy: 1.5662913444337188
Energy: 1.484734181153221
Energy: 1.4836997490932935
Energy: 1.5662913444420576
Energy: 1.4847341811494308
Energy: 1.4836997490796477
Energy: 1.5046651990189488
Energy: 1.4818009873817979
Energy: 1.870456434423154
Energy: 1.5046651990181907
Energy: 1.48180098738483
Energy: 1.8704564344201215
Energy: 1.5046651990181907
Energy: 1.4818009873810396
Energy: 1.870456434422396
Energy: 1.5046651990159163
Energy: 1.4874531611858868
Energy: 1.572043272709742
Energy: 1.4679319487425737
Energy: 1.4874531611836126
Energy: 1.5720432727173228
Energy: 1.4679319487387832
Energy: 1.4874531611874031
Energy: 1.572043272711258
Energy: 1.4679319487418154
Energy: 1.4874531611843707
Energy: 1.565113838411152
Energy: 1.503716046563447
Energy: 1.455465289499781
Energy: 1.565113838411152
Energy: 1.5037160465604147
Energy: 1.455465289500539
Energy: 1.5651138384126684
Energy: 1.503716046564205
Energy: 1.455465289499781
Energy: 1.5651138384119103
Energy: 1.4706097968994654
Energy: 1.6270340198516358
Energy: 1.4771585394272273
Energy: 1.4706097968956748
Energy: 1.6270340198516358
Energy: 1.4771585394264692
Energy: 1.4706097968987073
Energy: 1.6270340198516358
Energy: 1.4771585394272273
Energy: 1.4706097968949168
Energy: 1.6944316664974568
Energy: 1.482754076325341
Energy: 1.4824409254025688
Energy: 1.6944316665004893
Energy: 1.4827540763230667
Energy: 1.4824409254010524
Energy: 1.694431666499731
Energy: 1.4827540763238247
Energy: 1.4824409254010524
Energy: 1.694431666498215
Energy: 1.5755085557954842
Energy: 1.5935387881044565
Energy: 1.6393660291127137
Energy: 1.575508555801549
Energy: 1.5935387881044565
Energy: 1.6393660291111978
Energy: 1.5755085557970006
Energy: 1.5935387881052148
Energy: 1.6393660291119556
Energy: 1.575508555800033
Energy: 1.4558703504471933
Energy: 1.46501842511109
Energy: 1.5282845116045691
Energy: 1.4558703504456767
Energy: 1.4650184251088159
Energy: 1.5282845116113921
Energy: 1.4558703504449189
Energy: 1.46501842511109
Energy: 1.5282845116045691
Energy: 1.4558703504441606
Energy: 1.5944343229155076
Energy: 1.4670213698299983
Energy: 1.6660409212027398
Energy: 1.5944343229177818
Energy: 1.4670213698322727
Energy: 1.6660409212050142
Energy: 1.5944343229155076
Energy: 1.4670213698299983
Energy: 1.6660409212034977
Energy: 1.5944343229162656
Energy: 1.4824980772042433
Energy: 1.8961731876354622
Energy: 1.4823455621657586
Energy: 1.4824980772034853
Energy: 1.896173187633946
Energy: 1.4823455621612103
Energy: 1.482498077201969
Energy: 1.8961731876347039
Energy: 1.4823455621665167
Energy: 1.4824980772034853
Energy: 1.487502966223745
Energy: 1.4671286399242183
Energy: 1.5659562739040143
Energy: 1.487502966225261
Energy: 1.4671286399242183
Energy: 1.5659562738987072
Energy: 1.4875029662245027
Energy: 1.4671286399242183
Energy: 1.565956273904772
Energy: 1.487502966223745

minimum gb energy = 1.4548810878274792 eV
minimum distance =  2.26074035501208 Angstroms
sigma value = 33