Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977830043
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.018152613920197846
Energy: 0.018478387474683257
Energy: 0.5625218729558648
Energy: 0.01847838747530804
Energy: 0.018478387474683257
Energy: 1.0890439825247469
Energy: 0.018478387474683257
Energy: 1.0890439825247469
Energy: 0.5625218729500213
Energy: 0.018478387474683257
Energy: 0.018152613919536313
Energy: 0.01847838747402173
Energy: 0.018478387474683257
Energy: 1.0890439825240854
Energy: 0.018478387475969565
Energy: 1.0890439825234606

minimum gb energy = 0.018152613919536313 eV
minimum distance =  2.40006131503543 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.2798143064491807
Energy: 1.2916956737037597
Energy: 1.2685599037364614
Energy: 1.2916956737045622
Energy: 1.2095583759932902
Energy: 1.273746152628567
Energy: 1.1939389101522353
Energy: 1.2737461526221485
Energy: 1.1387368083253524
Energy: 1.2727326323346593
Energy: 1.191287860838146
Energy: 1.2727326323330546
Energy: 1.1781130298544533
Energy: 1.3077626192588214
Energy: 1.1673599838003668
Energy: 1.3077626192596234
Energy: 1.1808006190942169
Energy: 1.2942020454239618
Energy: 1.1929736553100343
Energy: 1.294202045422357
Energy: 1.1601359686833936
Energy: 1.2593392199885858
Energy: 1.1256399833729456
Energy: 1.259339220040735
Energy: 1.2134547782371845
Energy: 1.2725797653738273
Energy: 1.1622110407365835
Energy: 1.2725797653738273
Energy: 1.1093091891006528
Energy: 1.293416772187606
Energy: 1.122862848833367
Energy: 1.2934167721811876
Energy: 1.1687905730264425
Energy: 1.195629874115354
Energy: 1.191737469832206
Energy: 1.195629874107331
Energy: 1.1213054912051035
Energy: 1.2726412012335433
Energy: 1.1007484303551347
Energy: 1.2726412012311366
Energy: 1.19132159183963
Energy: 1.2691435094056962
Energy: 1.1689195503648473
Energy: 1.269143509402487
Energy: 1.1966711901748461
Energy: 1.293011262474476
Energy: 1.137405652769162
Energy: 1.2930112624792898
Energy: 1.191200164615761
Energy: 1.2716998175643486
Energy: 1.2132983659294958
Energy: 1.2716998175651508
Energy: 1.1969679158998965
Energy: 1.2803383035620857
Energy: 1.156878630742439
Energy: 1.2803383035612834
Energy: 1.19202730236888
Energy: 1.2912815383574325
Energy: 1.1906318387353547
Energy: 1.2912815383518164
Energy: 1.200533945038271
Energy: 1.2918533567789667
Energy: 1.190694161472037
Energy: 1.2918533567813735
Energy: 1.1913828264327928
Energy: 1.2724570570824767
Energy: 1.115293933048469
Energy: 1.2724570570792675
Energy: 1.1937903626176436
Energy: 1.2497065522172486
Energy: 1.2102225583133708
Energy: 1.2497065522180508
Energy: 1.1097491519427776
Energy: 1.2929177119105826
Energy: 1.138124612589613
Energy: 1.2929177119113846
Energy: 1.2105929423681627
Energy: 1.1948356683138166
Energy: 1.1728975474607248
Energy: 1.1948356683154213
Energy: 1.1221183626735527
Energy: 1.2723249092721987
Energy: 1.0988685649637842
Energy: 1.2723249092746056
Energy: 1.1675300482666997
Energy: 1.2826623247572564
Energy: 1.192987602560737
Energy: 1.2826623247500357
Energy: 1.191578454595805
Energy: 1.2942427534152794
Energy: 1.1445602113627684
Energy: 1.2942427534152794
Energy: 1.1660690282440938
Energy: 1.2722460908508
Energy: 1.1605441755966694
Energy: 1.2722460908475905
Energy: 1.1620141214930548
Energy: 1.2563948959350137
Energy: 1.2132335712553928
Energy: 1.256394895935816
Energy: 1.1852892850790098
Energy: 1.293438176847557
Energy: 1.1444887197602527
Energy: 1.2934381768443477
Energy: 1.1776677506796627
Energy: 1.271383787904827
Energy: 1.1687660956151757
Energy: 1.2713837879064318
Energy: 1.141622232166374
Energy: 1.2717052360956707
Energy: 1.1910969203379798
Energy: 1.2717052360988799
Energy: 1.2085111405641598
Energy: 1.2626338321906112
Energy: 1.191317429134825
Energy: 1.2626338321882042
Energy: 1.2147537382147908
Energy: 1.2921495689567484
Energy: 1.1994139798170995
Energy: 1.2921495689519344
Energy: 1.21337078193317
Energy: 1.2833998772444843
Energy: 1.1910502902760736
Energy: 1.2833998772468913
Energy: 1.1690846433065325
Energy: 1.2734177070368657
Energy: 1.197186942508724
Energy: 1.2734177070360635
Energy: 1.1806792052249995
Energy: 1.3063251151848343
Energy: 1.1689757401244916
Energy: 1.306325115184032

minimum gb energy = 1.0988685649637842 eV
minimum distance =  2.2269566958413 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.352917281362287
Energy: 1.3700096025278663
Energy: 1.3368137707861167
Energy: 1.3700096025434174
Energy: 1.2285608887994268
Energy: 1.3259631194872843
Energy: 1.2325442251901473
Energy: 1.3259631194790513
Energy: 1.1878716092512167
Energy: 1.368104692425998
Energy: 1.2313104147618965
Energy: 1.3681046924296572
Energy: 1.1758426272056608
Energy: 1.2159943560509383
Energy: 1.1959930385896294
Energy: 1.215994356044535
Energy: 1.1760007917189967
Energy: 1.3382539717874848
Energy: 1.2159041369963435
Energy: 1.3382539717865698
Energy: 1.2656648638497774
Energy: 1.3382815309171725
Energy: 1.2124732987110245
Energy: 1.3382815309116838
Energy: 1.2279395932550494
Energy: 1.2176285343811437
Energy: 1.1960735900060755
Energy: 1.2176285343884619
Energy: 1.140760990917709
Energy: 1.3661889375686023
Energy: 1.171500456581006
Energy: 1.3661889375713465
Energy: 1.1853524363890031
Energy: 1.2566885420090708
Energy: 1.2318493158920172
Energy: 1.2566885420072413
Energy: 1.176494768862501
Energy: 1.3664775629704549
Energy: 1.1501880853070316
Energy: 1.3664775629576484
Energy: 1.2283154387890973
Energy: 1.2976967173284304
Energy: 1.231239446029823
Energy: 1.2976967173266012
Energy: 1.1643958918719182
Energy: 1.353037500402864
Energy: 1.2350237477624249
Energy: 1.3530375003937165
Energy: 1.2513352442835162
Energy: 1.338234978297709
Energy: 1.228033702399299
Energy: 1.338234978286732
Energy: 1.257328233813799
Energy: 1.3382579181140746
Energy: 1.210102362318893
Energy: 1.338257918104927
Energy: 1.1645024692722787
Energy: 1.3524464490455153
Energy: 1.231344624524288
Energy: 1.352446449036368
Energy: 1.228301242599336
Energy: 1.2976471747005445
Energy: 1.2312899740584937
Energy: 1.297647174690482
Energy: 1.1764915878086217
Energy: 1.3667575349898702
Energy: 1.1570729296014595
Energy: 1.3667575349990178
Energy: 1.1853408260700395
Energy: 1.2567281623504927
Energy: 1.2316047023198116
Energy: 1.256728162360555
Energy: 1.1404757925044051
Energy: 1.3664970788686819
Energy: 1.1699285249347942
Energy: 1.3664970788732556
Energy: 1.2281275554898399
Energy: 1.2170420960143857
Energy: 1.2016749008893786
Energy: 1.2170420960088972
Energy: 1.2745161471476314
Energy: 1.3385948220400776
Energy: 1.1592340994350183
Energy: 1.3385948220455661
Energy: 1.1759985588528767
Energy: 1.3381815128492667
Energy: 1.2297651291072471
Energy: 1.33818151283646
Energy: 1.1759529896573335
Energy: 1.2161315631689613
Energy: 1.1959583246819965
Energy: 1.2161315631726206
Energy: 1.1879918128228217
Energy: 1.3682184629794394
Energy: 1.231286334360892
Energy: 1.3682184629757808
Energy: 1.2286685377054816
Energy: 1.3257307262067248
Energy: 1.232555226907019
Energy: 1.3257307262122133
Energy: 1.3529172813641164
Energy: 1.3700096025278663
Energy: 1.2862432514874156
Energy: 1.3700096025434174
Energy: 1.228560888798512
Energy: 1.3259631194891137
Energy: 1.232544225187403
Energy: 1.325963119477222
Energy: 1.187871609253961
Energy: 1.3681046924250835
Energy: 1.2242174320718087
Energy: 1.3681046924278277
Energy: 1.175842627214808
Energy: 1.2159943560509383
Energy: 1.1923192806675464
Energy: 1.2159943560436204

minimum gb energy = 1.1404757925044051 eV
minimum distance =  2.20545543401617 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.278349175137798
Energy: 1.416061735971594
Energy: 1.4138290777902143
Energy: 1.416061735971594
Energy: 1.297320163952038
Energy: 1.345716127094074
Energy: 1.2390199195491836
Energy: 1.3457161270898208
Energy: 1.2198109671461712
Energy: 1.4633488926882992
Energy: 1.2402269228918832
Energy: 1.4633488926851088
Energy: 1.2370665298436017
Energy: 1.257237666459888
Energy: 1.230616566271502
Energy: 1.2572376664471276
Energy: 1.2330082957378545
Energy: 1.4180658216325146
Energy: 1.2819221123951394
Energy: 1.4180658216356565
Energy: 1.34232921273738
Energy: 1.4620163701300801
Energy: 1.2391431276846392
Energy: 1.4620163701300801
Energy: 1.2402737955465195
Energy: 1.2463345191664439
Energy: 1.2686994006180894
Energy: 1.2463345191653803
Energy: 1.4159570162128845
Energy: 1.4204736649952643
Energy: 1.2034127281936935
Energy: 1.420473664994201
Energy: 1.2687805533310845
Energy: 1.345299603663308
Energy: 1.2408545944369878
Energy: 1.3452996036622449
Energy: 1.240208536796513
Energy: 1.4623831420585964
Energy: 1.2139552928703925
Energy: 1.4623831420554063
Energy: 1.282967290608519
Energy: 1.416392933457394
Energy: 1.2388548800296084
Energy: 1.4163929334616476
Energy: 1.2325305952493488
Energy: 1.415989665909612
Energy: 1.239146570426541
Energy: 1.4159896659074853
Energy: 1.2401284627881264
Energy: 1.3654352832008807
Energy: 1.2137590229863218
Energy: 1.3654352832008807
Energy: 1.269397799642258
Energy: 1.2395891194145083
Energy: 1.2413375597720713
Energy: 1.2395891194155713
Energy: 1.2000029333992894
Energy: 1.4165250237637603
Energy: 1.2014082282393932
Energy: 1.4165250237605702
Energy: 1.2399699183849493
Energy: 1.2486368294418086
Energy: 1.2300459822753114
Energy: 1.248636829440745
Energy: 1.180619327657268
Energy: 1.4624149269755018
Energy: 1.1803042558417396
Energy: 1.4624149269765654
Energy: 1.2306313001590758
Energy: 1.3574759616288437
Energy: 1.2820174830289637
Energy: 1.3574759616277805
Energy: 1.2118426545456238
Energy: 1.3664174611888524
Energy: 1.229729968263184
Energy: 1.3664174611909792
Energy: 1.2443129608583072
Energy: 1.4619217635687927
Energy: 1.2435632455728483
Energy: 1.4619217635709194
Energy: 1.2575925550368545
Energy: 1.3400040009457703
Energy: 1.240464835319763
Energy: 1.340004000947897
Energy: 1.2763318533470238
Energy: 1.4172842882068144
Energy: 1.3302708847120739
Energy: 1.417284288200434
Energy: 1.2407297640689
Energy: 1.3565196991522435
Energy: 1.2392963172608351
Energy: 1.3565196991501167
Energy: 1.2168446791834202
Energy: 1.4674971506779755
Energy: 1.2403460984764627
Energy: 1.4674971506769123
Energy: 1.239152013999827
Energy: 1.2641130751949792
Energy: 1.2289323905051015
Energy: 1.2641130752013596

minimum gb energy = 1.1803042558417396 eV
minimum distance =  2.21050970524174 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.3264929463210091
Energy: 1.3253392896617817
Energy: 1.4996707876623354
Energy: 1.3253392896605132
Energy: 1.3120792664995498
Energy: 1.4093774962325876
Energy: 1.2988038700008644
Energy: 1.4093774962414676
Energy: 1.2292566264206806
Energy: 1.3153141663535184
Energy: 1.3038278224950297
Energy: 1.315314166357324
Energy: 1.311742717642972
Energy: 1.4442452069393177
Energy: 1.2598013702913589
Energy: 1.444245206935512
Energy: 1.4247631184101677
Energy: 1.4090283378155317
Energy: 1.30229361573776
Energy: 1.4090283378180688
Energy: 1.215518335381231
Energy: 1.312873365333273
Energy: 1.2610362215756032
Energy: 1.3128733653281985
Energy: 1.3077227062841088
Energy: 1.2600367522290603
Energy: 1.2608305486389906
Energy: 1.260036752226523
Energy: 1.3490589449391017
Energy: 1.3130952515864474
Energy: 1.2498733424738113
Energy: 1.3130952515902532
Energy: 1.3090950677914113
Energy: 1.4092806201287156
Energy: 1.3023225665771754
Energy: 1.4092806201147907
Energy: 1.3146009568719497
Energy: 1.3191612719630643
Energy: 1.2595935400733178
Energy: 1.3191612719605272
Energy: 1.261160199933839
Energy: 1.41038521911157
Energy: 1.3037410892650076
Energy: 1.4103852191179127
Energy: 1.311912575003693
Energy: 1.3194758319118192
Energy: 1.2605559738073913
Energy: 1.3194758319092819
Energy: 1.2152932742073865
Energy: 1.3229449271742608
Energy: 1.224316718484935
Energy: 1.3229449271704554
Energy: 1.3369655350084795
Energy: 1.312495411415931
Energy: 1.2996667390000856
Energy: 1.3124954114121545
Energy: 1.215287610626107
Energy: 1.3236088093428904
Energy: 1.348620908276946
Energy: 1.3236088093416218
Energy: 1.312106949739506
Energy: 1.3201328299186206
Energy: 1.2600261733037974
Energy: 1.3201328299186206
Energy: 1.2610000404031192
Energy: 1.4106508737661574
Energy: 1.3037077880324395
Energy: 1.4106508737623515
Energy: 1.3146198056915224
Energy: 1.3186641531589218
Energy: 1.2596165269263027
Energy: 1.3186641531626986
Energy: 1.3090886060959461
Energy: 1.409278512159967
Energy: 1.3022861622024724
Energy: 1.4092785121625038
Energy: 1.3490301487034124
Energy: 1.3130648270908898
Energy: 1.249938761857394
Energy: 1.313064827095964
Energy: 1.3077308928943074
Energy: 1.2600103622053709
Energy: 1.2609206029258855
Energy: 1.2600103622041023

minimum gb energy = 1.215287610626107 eV
minimum distance =  2.29749639881796 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2789545657262764
Energy: 1.5060676312490715
Energy: 1.5961539562529328
Energy: 1.5060676312475025
Energy: 1.2532569347718883
Energy: 1.4250906700602397
Energy: 1.237069714031235
Energy: 1.425090670058671
Energy: 1.2376073567013697
Energy: 1.4479011162467763
Energy: 1.2369773277726672
Energy: 1.4479011157120332
Energy: 1.2800974600281294
Energy: 1.25446514997128
Energy: 1.4228862356425116
Energy: 1.2544651500731798
Energy: 1.4192328483365848
Energy: 1.2549049541788964
Energy: 1.2372932186044063
Energy: 1.2549049541757586
Energy: 1.2412565527546753
Energy: 1.4496843891538653
Energy: 1.2388559301308846
Energy: 1.4496843890221582
Energy: 1.2372657321620535
Energy: 1.4153372639735462
Energy: 1.2373653744775344
Energy: 1.4153372639735462
Energy: 1.4031641624478266
Energy: 1.2385147494384374
Energy: 1.2830816519470543
Energy: 1.2385147494211808
Energy: 1.236992188471822
Energy: 1.3392560964434839
Energy: 1.2563083818940248
Energy: 1.3392560964481903
Energy: 1.4740377535871545
Energy: 1.4479136665020136
Energy: 1.2397024355418778
Energy: 1.4479136664988757
Energy: 1.2548714364143378
Energy: 1.4975249438346592
Energy: 1.583376435059092
Energy: 1.4975249438299527
Energy: 1.237598211098314
Energy: 1.292261562674051
Energy: 1.4739675290622836
Energy: 1.292261562670913
Energy: 1.4039857693342794
Energy: 1.3363415332575561
Energy: 1.2366214231186632
Energy: 1.3363415333359603
Energy: 1.236966276293452
Energy: 1.2372058173650176
Energy: 1.2799987526905967
Energy: 1.237205817363449
Energy: 1.2366573463864847
Energy: 1.2389339748055324
Energy: 1.4041163403000916
Energy: 1.2389339748118073
Energy: 1.252760396116434
Energy: 1.3397112422511224
Energy: 1.2411790732015522
Energy: 1.3397112422526913
Energy: 1.2375936061203472
Energy: 1.3641437457602485
Energy: 1.4721301320316038
Energy: 1.3641437457618175

minimum gb energy = 1.2366214231186632 eV
minimum distance =  2.28237114993208 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.3743578820957973
Energy: 1.3722978044246315
Energy: 1.6499673408640856
Energy: 1.3722978044201888
Energy: 1.4401761394507921
Energy: 1.3598607370904614
Energy: 1.2612894112108568
Energy: 1.3598607370860187
Energy: 1.4376479819085153
Energy: 1.3640789386308763
Energy: 1.261349966380577
Energy: 1.3640789386282108
Energy: 1.2634100532106267
Energy: 1.3732831861364678
Energy: 1.370266979423133
Energy: 1.3732831861382448
Energy: 1.4810755030682363
Energy: 1.3598111848740724
Energy: 1.2623724301134978
Energy: 1.359811184871407
Energy: 1.2799403787309929
Energy: 1.3199205567166095
Energy: 1.440537998908408
Energy: 1.3199205567432644
Energy: 1.2678108814894788
Energy: 1.4065855798307547
Energy: 1.2622524951977991
Energy: 1.4065855798307547
Energy: 1.4315557534206194
Energy: 1.4039859758954099
Energy: 1.277984719841643
Energy: 1.4039859758980753
Energy: 1.2833271876722014
Energy: 1.444312683511324
Energy: 1.4754618580918817
Energy: 1.444312683511324
Energy: 1.5685164772396154
Energy: 1.3568575735765755
Energy: 1.2620234231766858
Energy: 1.3568575735783526
Energy: 1.26719437970257
Energy: 1.4035949889429726
Energy: 1.4420195957154376
Energy: 1.4035949889358648
Energy: 1.2787675516861519
Energy: 1.4022963815321372
Energy: 1.2783887869816732
Energy: 1.4022963815312484
Energy: 1.4338963557107247
Energy: 1.3722071004247716
Energy: 1.3711785506369463
Energy: 1.3722071004265486
Energy: 1.261689670412311
Energy: 1.4246430373329313
Energy: 1.4406638372215423
Energy: 1.4246430373347083
Energy: 1.3877962688335264
Energy: 1.4057213280328096
Energy: 1.2824607158338581
Energy: 1.4057213280292555
Energy: 1.4471483286860125
Energy: 1.370593608340008
Energy: 1.431596976675088
Energy: 1.3705936083337886
Energy: 1.262762766274622
Energy: 1.4378294631190103
Energy: 1.4488486335867163
Energy: 1.4378294631207873
Energy: 1.416495756255239
Energy: 1.3621373158689123
Energy: 1.2797606343348542
Energy: 1.3621373158742434
Energy: 1.262121395749313
Energy: 1.4409433487999135
Energy: 1.3514557561650486
Energy: 1.4409433488043557
Energy: 1.261910021852192
Energy: 1.3736445470155576
Energy: 1.2641336084362065
Energy: 1.37364454702
Energy: 1.3472103625553038
Energy: 1.3638309719404804
Energy: 1.4366522643275677
Energy: 1.3638309719387034
Energy: 1.2620397495242135
Energy: 1.5226710222637843
Energy: 1.5808474443795217
Energy: 1.5226710222557878
Energy: 1.3525356862227171
Energy: 1.3733175637330102
Energy: 1.261498386379869
Energy: 1.3733175637330102
Energy: 1.2778860230307107
Energy: 1.4070146551557117
Energy: 1.4282214163610798
Energy: 1.4070146551637082
Energy: 1.2774608717864169
Energy: 1.36277551040252
Energy: 1.427382472157644
Energy: 1.3627755103998547
Energy: 1.4633094625007417
Energy: 1.3730153607136037
Energy: 1.2628027942893505
Energy: 1.3730153607064959
Energy: 1.261753501491245
Energy: 1.4603332218709808
Energy: 1.6224254209336975
Energy: 1.4603332218727578
Energy: 1.4300178363931295
Energy: 1.3193164293558362
Energy: 1.4378848640476924
Energy: 1.3193164293637922
Energy: 1.5457488568440367
Energy: 1.4032227359151757
Energy: 1.2677227579569057
Energy: 1.4032227359258378
Energy: 1.277878551176357
Energy: 1.441467072682991
Energy: 1.4187906167790412
Energy: 1.4414670726936527

minimum gb energy = 1.2612894112108568 eV
minimum distance =  2.18574454662844 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.177871813069946
Energy: 1.17716344592393
Energy: 1.7447551350581858
Energy: 1.17716344592393
Energy: 1.4544007984991052
Energy: 1.2982716715784406
Energy: 1.237952278701609
Energy: 1.298271671576395
Energy: 1.1785088803612727
Energy: 1.176954938378946
Energy: 1.3228816190838524
Energy: 1.1769549383809914
Energy: 1.1787836935689866
Energy: 1.177012330912966
Energy: 1.3226538288787353
Energy: 1.177012330917057
Energy: 1.4541651460475116
Energy: 1.2980304985165567
Energy: 1.2379921521216628
Energy: 1.2980304985165567
Energy: 1.177871813069946
Energy: 1.1771634459259752
Energy: 1.5645027642100726
Energy: 1.17716344592393
Energy: 1.4544007984950147
Energy: 1.298271671580486
Energy: 1.3226132028935995
Energy: 1.298271671576395
Energy: 1.1785088803612727
Energy: 1.176954938378946
Energy: 1.4106937484693396
Energy: 1.1769549383769005
Energy: 1.1787836935689866
Energy: 1.1770123309088751
Energy: 1.4073748930210463
Energy: 1.177012330917057
Energy: 1.4541651460454659
Energy: 1.2980304985165567
Energy: 1.3517068608262084
Energy: 1.2980304985165567
Energy: 1.1778718130719452
Energy: 1.17716344592393
Energy: 1.641763830514411
Energy: 1.1771634459218843
Energy: 1.4544007984991052
Energy: 1.2982716715784406
Energy: 1.4076714173607965
Energy: 1.298271671576395
Energy: 1.1785088803694541
Energy: 1.1769549383809914
Energy: 1.4106937484672943
Energy: 1.1769549383809914

minimum gb energy = 1.1769549383769005 eV
minimum distance =  2.26195558404671 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.3099963468518356
Energy: 1.61531896498106
Energy: 1.6903504890754635
Energy: 1.6153189649787887
Energy: 1.4887370554434798
Energy: 1.3760861399028363
Energy: 1.3088628110014084
Energy: 1.3760861399126778
Energy: 1.2875237103719175
Energy: 1.2926413645246284
Energy: 1.3074976395977
Energy: 1.2926413645284138
Energy: 1.4438476205846984
Energy: 1.5474047976212062
Energy: 1.309296855868835
Energy: 1.5474047976196919
Energy: 1.4653744821312449
Energy: 1.3758806606666567
Energy: 1.3038728548495309
Energy: 1.3758806606689278
Energy: 1.2924659227612587
Energy: 1.2914325294971083
Energy: 1.4428064569695522
Energy: 1.291432529493323
Energy: 1.701120224467607
Energy: 1.3696278272805302
Energy: 1.3065846874269444
Energy: 1.3696278272843156
Energy: 1.2969428785280206
Energy: 1.3904885221206458
Energy: 1.4582938811103805
Energy: 1.3904885221183745
Energy: 1.2902512522034857
Energy: 1.566990789219543
Energy: 1.304408663553583
Energy: 1.566990789237712
Energy: 1.288517504368249
Energy: 1.3687944397597398
Energy: 1.3051141381290483
Energy: 1.3687944397536833
Energy: 1.2976504074559652
Energy: 1.4023038960235468
Energy: 1.6739094198768922
Energy: 1.4023038960000782
Energy: 1.4818777036608295
Energy: 1.5018782594954818
Energy: 1.2933087712056777
Energy: 1.5018782594947244
Energy: 1.2893186206305054
Energy: 1.3999766840213435
Energy: 1.5760255338068534
Energy: 1.3999766840205867
Energy: 1.4483883124550916
Energy: 1.4591019348628937
Energy: 1.3165811268155747
Energy: 1.459101934865922
Energy: 1.2989028634926008
Energy: 1.4723762772746616
Energy: 1.455116545161673
Energy: 1.4723762772875315
Energy: 1.2922252633924016
Energy: 1.5649842015548532
Energy: 1.4491987864608542
Energy: 1.5649842015533393
Energy: 1.3782540033503592
Energy: 1.472150498805487
Energy: 1.2999277228637218
Energy: 1.47215049880473
Energy: 1.2999359266669521
Energy: 1.369936425428044
Energy: 1.463948555211526
Energy: 1.369936425428801
Energy: 1.4513995270837685
Energy: 1.4035478608331884
Energy: 1.2951378133793934
Energy: 1.4035478608225898
Energy: 1.2963919933480137
Energy: 1.3872734793497261
Energy: 1.3967510852124432
Energy: 1.3872734793550257
Energy: 1.4544456843511295
Energy: 1.5474008224900626
Energy: 1.4459099475373576
Energy: 1.547400822482492
Energy: 1.4059138031009422
Energy: 1.4589531104460318
Energy: 1.2886901861600015
Energy: 1.4589531104392186
Energy: 1.304502890199617
Energy: 1.4825562392123828
Energy: 1.2900429545338397
Energy: 1.482556239215411
Energy: 1.683352247619912
Energy: 1.3932169596992376
Energy: 1.2958742837584303
Energy: 1.3932169596848538
Energy: 1.3072595382843346
Energy: 1.527147408589742
Energy: 1.614125886327002
Energy: 1.5271474085836856
Energy: 1.3773936887641656
Energy: 1.2929165118857002
Energy: 1.2883522864600105
Energy: 1.2929165118940278
Energy: 1.4614583818783615
Energy: 1.4782154110901236
Energy: 1.4428453520954532
Energy: 1.478215411095423
Energy: 1.3264385975169952
Energy: 1.549098204648742
Energy: 1.442950522612327
Energy: 1.5490982046442
Energy: 1.3787236283142332
Energy: 1.2919692272481793
Energy: 1.2874658192009718
Energy: 1.291969227259535
Energy: 1.3084631381303033
Energy: 1.5257409759145657
Energy: 1.6055060323594021
Energy: 1.5257409759281926
Energy: 1.466923906130868
Energy: 1.3937804496405883
Energy: 1.295255582776326
Energy: 1.3937804496421025
Energy: 1.309003875812706
Energy: 1.3727062538669195
Energy: 1.2883193974685054
Energy: 1.3727062538691908
Energy: 1.3094465228504353
Energy: 1.460034932536369
Energy: 1.2878533096567646
Energy: 1.4600349325371262
Energy: 1.4500993246004923
Energy: 1.5598769630461375
Energy: 1.4432834956298397
Energy: 1.5598769630552223
Energy: 1.301072720202672
Energy: 1.530292427526404
Energy: 1.6992754461474928
Energy: 1.5302924275218621

minimum gb energy = 1.2874658192009718 eV
minimum distance =  2.21379089373102 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.401811701004646
Energy: 1.3981254047149436
Energy: 1.6801383484445684
Energy: 1.3981254047185472
Energy: 1.4045307684211148
Energy: 1.427582994785558
Energy: 1.3050117049611905
Energy: 1.427582994784357
Energy: 1.3076174141631864
Energy: 1.3814886194090816
Energy: 1.3031143278643078
Energy: 1.3814886194102827
Energy: 1.2888415969917726
Energy: 1.3151217448083843
Energy: 1.320500835487971
Energy: 1.3151217448095853
Energy: 1.3717942309342115
Energy: 1.4231511520007643
Energy: 1.3617188910034206
Energy: 1.4231511520007643
Energy: 1.3198449126163088
Energy: 1.3067738723673543
Energy: 1.5431816518367598
Energy: 1.3067738723625497
Energy: 1.6745349825419105
Energy: 1.5144426935980324
Energy: 1.3057972195518626
Energy: 1.5144426936076416
Energy: 1.2925358915456862
Energy: 1.2940697568941764
Energy: 1.5542657988547293
Energy: 1.2940697568917743
Energy: 1.6159817256449254
Energy: 1.296112640154965
Energy: 1.3009811735033274
Energy: 1.2961126401561662
Energy: 1.3072975362284958
Energy: 1.4103025225664743
Energy: 1.305462151984281
Energy: 1.4103025225688763
Energy: 1.295262017154724
Energy: 1.2969344341760896
Energy: 1.5438637688505201
Energy: 1.296934434170084
Energy: 1.4668462383576126
Energy: 1.3129927538775137
Energy: 1.2883453940482466
Energy: 1.3129927538751114
Energy: 1.3193709538976652
Energy: 1.397298076653411
Energy: 1.537638117210483
Energy: 1.397298076653411
Energy: 1.5834655177702541
Energy: 1.4872082617202358
Energy: 1.3220567974047983
Energy: 1.4872082617178337
Energy: 1.292369551323258
Energy: 1.5286547882340562
Energy: 1.545790857016555
Energy: 1.5286547882340562
Energy: 1.5419567979378401
Energy: 1.2950684429933566
Energy: 1.2925356284962446
Energy: 1.29506844299696
Energy: 1.3986147501719703
Energy: 1.396394817568254
Energy: 1.3075240908867507
Energy: 1.3963948175706562
Energy: 1.3982820335975747
Energy: 1.3974318807088397
Energy: 1.3084057578293002
Energy: 1.3974318807088397
Energy: 1.4564061355539035
Energy: 1.2949827363440085
Energy: 1.2923737750821187
Energy: 1.2949827363500142
Energy: 1.3064811339086888
Energy: 1.4330702432765225
Energy: 1.6296735999447445
Energy: 1.4330702432825282
Energy: 1.5962106340474966
Energy: 1.3047907531291107
Energy: 1.320670155430633
Energy: 1.3047907531327143
Energy: 1.320509473633957
Energy: 1.4219457347672002
Energy: 1.465721525377432
Energy: 1.4219457347744069

minimum gb energy = 1.2883453940482466 eV
minimum distance =  2.22606931329114 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.3293617852989648
Energy: 1.327919675740132
Energy: 1.6600894326506548
Energy: 1.3279196757239948
Energy: 1.4602911107114336
Energy: 1.3878982050987512
Energy: 1.2971663484795464
Energy: 1.3878982050852007
Energy: 1.2896460672561112
Energy: 1.3281923726207618
Energy: 1.3087491877259207
Energy: 1.3281923726182137
Energy: 1.33866249721182
Energy: 1.4228304048516058
Energy: 1.296926566029521
Energy: 1.4228304048473592
Energy: 1.2893347808524098
Energy: 1.392388512067713
Energy: 1.324887132477094
Energy: 1.39238851204648
Energy: 1.2853231939018848
Energy: 1.3301442593286261
Energy: 1.5806150880116194
Energy: 1.3301442593345714
Energy: 1.4698822718864695
Energy: 1.4783339425555517
Energy: 1.336988083168414
Energy: 1.4783339425496063
Energy: 1.2851591698875708
Energy: 1.3294199719298159
Energy: 1.6518750083435976
Energy: 1.3294199719349116
Energy: 1.4819076257108734
Energy: 1.403417972621679
Energy: 1.299235003192908
Energy: 1.403417972629323
Energy: 1.2860980583670323
Energy: 1.4325317439230032
Energy: 1.4438005523462187
Energy: 1.4325317439017697
Energy: 1.3316030722337016
Energy: 1.337486298887554
Energy: 1.337651769345851
Energy: 1.3374862988968967
Energy: 1.3461275467107165
Energy: 1.3926067333799492
Energy: 1.3401534099445427
Energy: 1.3926067333824974
Energy: 1.3367963104519982
Energy: 1.3336483788014835
Energy: 1.3406411840528858
Energy: 1.3336483788099769
Energy: 1.3262118263411968
Energy: 1.3170428067914033
Energy: 1.3404146190654658
Energy: 1.3170428067812117
Energy: 1.2841612705964809
Energy: 1.5580404921821818
Energy: 1.482760825224243
Energy: 1.5580404921863897
Energy: 1.6943835277512687
Energy: 1.3168743294540917
Energy: 1.3049638915749042
Energy: 1.3168743294413516
Energy: 1.283318527609053
Energy: 1.3926356068394796
Energy: 1.4812293101178962
Energy: 1.3926356068369317
Energy: 1.3128439256706146
Energy: 1.38406838281844
Energy: 1.339916802915571
Energy: 1.38406838284392
Energy: 1.2837514917714596
Energy: 1.331131584850382
Energy: 1.339128086022622
Energy: 1.3311315848800698
Energy: 1.2856194219701496
Energy: 1.395338521718243
Energy: 1.3399315590809036
Energy: 1.3953385217318321
Energy: 1.3330713688864126
Energy: 1.3431304075915327
Energy: 1.2992669052484316
Energy: 1.3431304075957793
Energy: 1.285187776316736
Energy: 1.3283436523439554
Energy: 1.4517327730371303
Energy: 1.3283436523431063
Energy: 1.6033808582050186
Energy: 1.4040418555538299
Energy: 1.3373977591898343
Energy: 1.404041855558926
Energy: 1.3315233494140373
Energy: 1.3295713586096647
Energy: 1.5792337244116141
Energy: 1.3295713586155713
Energy: 1.3383771799909827
Energy: 1.3960538840548342
Energy: 1.3372247260799772
Energy: 1.3960538840386971
Energy: 1.3386117812683846
Energy: 1.3295375657138284
Energy: 1.3275544075842634
Energy: 1.3295375657214723
Energy: 1.28972688928997
Energy: 1.426544674547442
Energy: 1.4572632749027608
Energy: 1.426544674539798
Energy: 1.341804006130347
Energy: 1.3920211958664237
Energy: 1.2967575814481258
Energy: 1.392021195848588
Energy: 1.2888382289474383
Energy: 1.3288653628885392
Energy: 1.518794433427359
Energy: 1.3288653629012794
Energy: 1.330665263256678
Energy: 1.326663498859452
Energy: 1.2976729371227183
Energy: 1.326663498857753
Energy: 1.2888512501107683
Energy: 1.3290904486268442
Energy: 1.5416032275785323
Energy: 1.3290904486336383

minimum gb energy = 1.283318527609053 eV
minimum distance =  2.20144855888215 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.2638876370179153
Energy: 1.2283979710593493
Energy: 1.6105737181331568
Energy: 1.2283979710561608
Energy: 1.2022902989880475
Energy: 1.266234505377312
Energy: 1.262661078793103
Energy: 1.2662345053724142
Energy: 1.2630127614029119
Energy: 1.3311123655969879
Energy: 1.3281188323352513
Energy: 1.3311123655998476
Energy: 1.2635321979943603
Energy: 1.2039225918984524
Energy: 1.2648957686189415
Energy: 1.203922591897598
Energy: 1.2643426472528594
Energy: 1.289729300494099
Energy: 1.2935083732107924
Energy: 1.2897293004938033
Energy: 1.2295213552167166
Energy: 1.3313534937798726
Energy: 1.2294527143378742
Energy: 1.331353493778426
Energy: 1.2294609060372583
Energy: 1.2897693951827747
Energy: 1.2644394970199482
Energy: 1.28976939518192
Energy: 1.2283694389171014
Energy: 1.2037370043559188
Energy: 1.26374835362851
Energy: 1.2037370043752804
Energy: 1.328039936241151
Energy: 1.3309434225563492
Energy: 1.2035885690729713
Energy: 1.3309434225586831

minimum gb energy = 1.2022902989880475 eV
minimum distance =  2.25327941969127 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.2793124395302673
Energy: 1.2655229194297692
Energy: 1.6388578240436604
Energy: 1.2655229194329785
Energy: 1.2365618483019438
Energy: 1.3414369218564743
Energy: 1.2021221021222597
Energy: 1.341436921862893
Energy: 1.213654400883885
Energy: 1.25534176136194
Energy: 1.44520181424575
Energy: 1.2553417613563238
Energy: 1.2183816472604136
Energy: 1.328050428700752
Energy: 1.2430851271200063
Energy: 1.3280504286943333
Energy: 1.2257024523129223
Energy: 1.3396587683224712
Energy: 1.5244975438475754
Energy: 1.3396587683320988
Energy: 1.2456321454522912
Energy: 1.2719701014896851
Energy: 1.22232250178436
Energy: 1.2719701014832667
Energy: 1.2200323656592957
Energy: 1.3485878252604069
Energy: 1.220846189835642
Energy: 1.3485878252668253
Energy: 1.229609791958625
Energy: 1.273552568170212
Energy: 1.2205469828017514
Energy: 1.2735525681726187
Energy: 1.238783035011354
Energy: 1.3320221773336747
Energy: 1.2201221073947757
Energy: 1.3320221773248495
Energy: 1.2503830611129856
Energy: 1.3337285066585383
Energy: 1.2554688365925437
Energy: 1.3337285066697702
Energy: 1.2074791827500122
Energy: 1.2737999298396863
Energy: 1.2214522393847604
Energy: 1.2737999298228384
Energy: 1.2225801799635285
Energy: 1.2862147359828706
Energy: 1.3921647927962226
Energy: 1.286214735976452
Energy: 1.2572504849628114
Energy: 1.27039272903947
Energy: 1.274371176798137
Energy: 1.2703927290355315
Energy: 1.2261638279514007
Energy: 1.2708041255179157
Energy: 1.3129723033807108
Energy: 1.2708041255107678
Energy: 1.5151210863898956
Energy: 1.3335388236344736
Energy: 1.2213666066789641
Energy: 1.3335388236344736
Energy: 1.244961507558958
Energy: 1.2473756064724204
Energy: 1.3298655633306518
Energy: 1.2473756064820478
Energy: 1.4356314290910521
Energy: 1.3326238470989995
Energy: 1.2015886981195476
Energy: 1.3326238471054181
Energy: 1.2340806819673276
Energy: 1.2707289378327848
Energy: 1.3581489561045752
Energy: 1.2707289378392035
Energy: 1.244154953824693
Energy: 1.3503987625298668
Energy: 1.2262216063207627
Energy: 1.3503987625346805
Energy: 1.2102288066199511
Energy: 1.3407795610518445
Energy: 1.254222519980296
Energy: 1.3407795610518445
Energy: 1.2013270344713836
Energy: 1.3260706546812993
Energy: 1.246011856063739
Energy: 1.3260706546796945
Energy: 1.243246682907324
Energy: 1.3372617415688697
Energy: 1.2389003923152058
Energy: 1.3372617415656607
Energy: 1.2071898270600763
Energy: 1.2722435361288635
Energy: 1.2028090861105154
Energy: 1.272243536127259
Energy: 1.3702216504186582
Energy: 1.2790176617187552
Energy: 1.2105729018073157
Energy: 1.2790176617227664
Energy: 1.378158803608393
Energy: 1.2557895719135173
Energy: 1.2256436294799236
Energy: 1.2557895719231449
Energy: 1.2473077999027053
Energy: 1.270711832519324
Energy: 1.2306359029623009
Energy: 1.2707118325257423
Energy: 1.2067812299531553
Energy: 1.3187928733357008
Energy: 1.335471289774774
Energy: 1.3187928733461307
Energy: 1.2587439989600424
Energy: 1.3104762390170055
Energy: 1.2431020936481325
Energy: 1.3104762390210172
Energy: 1.2206723097476748
Energy: 1.3418320788780975
Energy: 1.411079080795475
Energy: 1.3418320788837137
Energy: 1.3370284609553909
Energy: 1.2701911777618693
Energy: 1.2332548979972302
Energy: 1.270191177763474
Energy: 1.221914954324097
Energy: 1.255044805179108
Energy: 1.3419920376298866
Energy: 1.2550448051870577
Energy: 1.4373029718615227
Energy: 1.3140914214503774
Energy: 1.210904891364109
Energy: 1.3140914214471682
Energy: 1.2499953189242432
Energy: 1.2730937023822384
Energy: 1.2039057933712622
Energy: 1.2730937023830409

minimum gb energy = 1.2013270344713836 eV
minimum distance =  2.21288033066229 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3596482969396488
Energy: 1.2264743241285903
Energy: 1.6546053879204499
Energy: 1.2264743241330276
Energy: 1.2836836596863475
Energy: 1.3102865836412283
Energy: 1.1665534714052415
Energy: 1.3102865836412283
Energy: 1.1717220772503896
Energy: 1.2225671239112983
Energy: 1.3797348386156507
Energy: 1.2225671239112983
Energy: 1.1816001256996962
Energy: 1.3086198553328623
Energy: 1.1991093056428008
Energy: 1.308619855331753
Energy: 1.1573944339618285
Energy: 1.3517876672838152
Energy: 1.5664282529539744
Energy: 1.3517876672915803
Energy: 1.1521125562451962
Energy: 1.2266461454116313
Energy: 1.199414002603915
Energy: 1.2266461454027566
Energy: 1.1690931616727125
Energy: 1.3641747396210564
Energy: 1.3858349126510638
Energy: 1.364174739622166
Energy: 1.1687389592928754
Energy: 1.2268315239624727
Energy: 1.2430145022319732
Energy: 1.2268315239658005
Energy: 1.2221560061465737
Energy: 1.2300532155550026
Energy: 1.2503813910143768
Energy: 1.2300532155572212
Energy: 1.2219397732143922
Energy: 1.2288477322864473
Energy: 1.2307485948690968
Energy: 1.2288477322886657
Energy: 1.1693109481398294
Energy: 1.2265769700027014
Energy: 1.229468792797351
Energy: 1.2265769700038107
Energy: 1.1686861251092266
Energy: 1.3518328438212222
Energy: 1.34692207536944
Energy: 1.35183284382455
Energy: 1.1502702539315375
Energy: 1.2266153550162824
Energy: 1.1996730111384803
Energy: 1.2266153550140642
Energy: 1.1522339618476107
Energy: 1.226800763937414
Energy: 1.4466670989138672
Energy: 1.226800763932977
Energy: 1.2083981160111605
Energy: 1.3054164556003374
Energy: 1.1992533811244837
Energy: 1.3054164555925722
Energy: 1.1716790680819678
Energy: 1.223351004926034
Energy: 1.2725387893139322
Energy: 1.2233510049238159
Energy: 1.3616051219139509
Energy: 1.2475687301905742
Energy: 1.1664017620335516
Energy: 1.24756873019723
Energy: 1.3596482969396488
Energy: 1.2264743241341367
Energy: 1.6546053879259965
Energy: 1.2264743241330276
Energy: 1.283683659690785
Energy: 1.3102865836379005
Energy: 1.1665534714074604
Energy: 1.3102865836423376
Energy: 1.1717220772492802
Energy: 1.2225671239090796
Energy: 1.379734838618928
Energy: 1.2225671239135167
Energy: 1.1816001257107893
Energy: 1.308619855331753
Energy: 1.1991093056428008
Energy: 1.3086198553262065
Energy: 1.1573944339673747
Energy: 1.3517876672860338
Energy: 1.5664282529550837
Energy: 1.3517876672915803
Energy: 1.1521125562451962
Energy: 1.226646145416018
Energy: 1.1994140026016964
Energy: 1.2266461454060846
Energy: 1.1690931616704938
Energy: 1.3641747396243842
Energy: 1.3858349126543918
Energy: 1.364174739622166

minimum gb energy = 1.1502702539315375 eV
minimum distance =  2.22524630632076 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.2199458990781402
Energy: 1.2190041413711237
Energy: 1.6631684943760832
Energy: 1.2190041413793515
Energy: 1.3570327551253627
Energy: 1.2041759934560432
Energy: 1.1742598235760449
Energy: 1.2041759934478777
Energy: 1.1747317449329362
Energy: 1.2003532534093277
Energy: 1.4403758370900364
Energy: 1.200353253410699
Energy: 1.2211273965074299
Energy: 1.1630518994898031
Energy: 1.1722915568957295
Energy: 1.1630518994939174
Energy: 1.1635719331673675
Energy: 1.3064368370785409
Energy: 1.2028016313531433
Energy: 1.3064368370696275
Energy: 1.158691867972634
Energy: 1.185278354804929
Energy: 1.1931031222737454
Energy: 1.1852783547967014
Energy: 1.184991123665917
Energy: 1.2805384719702417
Energy: 1.206552169668571
Energy: 1.2805384719702417
Energy: 1.1584106471084792
Energy: 1.2697714865380032
Energy: 1.1708394257714119
Energy: 1.2697714865558296
Energy: 1.214865589626507
Energy: 1.2690761326285105
Energy: 1.200250966335021
Energy: 1.2690761326326243
Energy: 1.21891512355639
Energy: 1.2705671938610352
Energy: 1.1771026906213387
Energy: 1.2705671938644634
Energy: 1.1742761804678161
Energy: 1.2404845355658667
Energy: 1.1675591076654839
Energy: 1.2404845355686096
Energy: 1.177661709344035
Energy: 1.273903620046774
Energy: 1.1598312994448272
Energy: 1.2739036200419742
Energy: 1.156136258832723
Energy: 1.2573020411781184
Energy: 1.1824541003468456
Energy: 1.2573020411897742
Energy: 1.178497470359239
Energy: 1.303731723691345
Energy: 1.2187184737052181
Energy: 1.3037317236824315
Energy: 1.15605353187463
Energy: 1.178304732586385
Energy: 1.231385517493803
Energy: 1.178304732578843
Energy: 1.1731521874040662
Energy: 1.201829899616233
Energy: 1.1926591563556443
Energy: 1.201829899616233
Energy: 1.1918184853084288
Energy: 1.1784864708403033
Energy: 1.182374021190711
Energy: 1.1784864708464737
Energy: 1.1663546003687526
Energy: 1.2200938400696033
Energy: 1.1833054115016068
Energy: 1.2200938400668606
Energy: 1.3297762227817735
Energy: 1.276174209583704
Energy: 1.1742270981954002
Energy: 1.2761742095981026
Energy: 1.1867660271518485
Energy: 1.2001510818399677
Energy: 1.2386833074352033
Energy: 1.200151081835854
Energy: 1.173205732857712
Energy: 1.1917694000753725
Energy: 1.169173998129418
Energy: 1.1917694000753725
Energy: 1.1665624658527496
Energy: 1.2208080992379147
Energy: 1.1726891759143454
Energy: 1.2208080992406571
Energy: 1.211706842390671
Energy: 1.1830897577188204
Energy: 1.189067958377401
Energy: 1.1830897576935142
Energy: 1.1739569195072341
Energy: 1.2842808629689213
Energy: 1.3607975989961505
Energy: 1.2842808629737208
Energy: 1.194499971411209
Energy: 1.2202262506672754
Energy: 1.1686017751275868
Energy: 1.220226250656305
Energy: 1.1645615258481687
Energy: 1.3071670203028725
Energy: 1.1925603288768079
Energy: 1.3071670203056152
Energy: 1.342124819836985
Energy: 1.259138291469194
Energy: 1.1752529793943145
Energy: 1.259138291456915
Energy: 1.2315637488397275
Energy: 1.401958844308734
Energy: 1.1750046347565384
Energy: 1.4019588443039348
Energy: 1.2189200960248787
Energy: 1.3030702914739054
Energy: 1.1655343543307437
Energy: 1.3030702914718484
Energy: 1.1647285888504804
Energy: 1.2566367732605686
Energy: 1.193684037471591
Energy: 1.2566367732660537
Energy: 1.166797858077788
Energy: 1.3030933828472417
Energy: 1.176678215552913
Energy: 1.30309338285067
Energy: 1.1547347655829476
Energy: 1.2358497847101848
Energy: 1.1697816391003057
Energy: 1.2358497847046996
Energy: 1.1745800109046485
Energy: 1.270228076903915
Energy: 1.3736400983786097
Energy: 1.27022807689843
Energy: 1.239062036880802
Energy: 1.421949960343661
Energy: 1.1897112155756435
Energy: 1.4219499603409185
Energy: 1.1643066006722036
Energy: 1.221008425208332
Energy: 1.2151338280932384
Energy: 1.2210084252014757
Energy: 1.2181940562730331
Energy: 1.2829947636333763
Energy: 1.1822024439088736
Energy: 1.2829947636313195
Energy: 1.1891689885316037
Energy: 1.1859841988966704
Energy: 1.1625334024093354
Energy: 1.1859841996265617
Energy: 1.217229873090566
Energy: 1.3075394232628
Energy: 1.1668957784944403
Energy: 1.3075394232593716

minimum gb energy = 1.1547347655829476 eV
minimum distance =  2.2213110326524 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.0803204330514402
Energy: 1.079984033793707
Energy: 1.6829215279924694
Energy: 1.079984033795501
Energy: 1.0957295258376707
Energy: 1.1253858239515613
Energy: 1.0986008292936085
Energy: 1.1253858239551493
Energy: 1.096020027534581
Energy: 1.1902705628021175
Energy: 1.761982586120184
Energy: 1.1902705627985297
Energy: 1.0721556532577967
Energy: 1.125395052523738
Energy: 1.0991307990685566
Energy: 1.125395052523738
Energy: 1.0956762821814714
Energy: 1.201762526264176
Energy: 1.0729880063393302
Energy: 1.2017625262605882
Energy: 1.096464476670673
Energy: 1.0813601191443047
Energy: 1.084184429837568
Energy: 1.0813601191460989
Energy: 1.0964017077531996
Energy: 1.3088159346954717
Energy: 1.0813364454531524
Energy: 1.308815934691884
Energy: 1.0890935424009782
Energy: 1.4563564362423225
Energy: 1.0992239410472011
Energy: 1.4563564362477042
Energy: 1.0956103434100364
Energy: 1.2021917479447985
Energy: 1.0864198441731812
Energy: 1.2021917479465927
Energy: 1.1256675377793994
Energy: 1.0814987610349625
Energy: 1.082901397767621
Energy: 1.0814987610259925
Energy: 1.0799418316092817
Energy: 1.1265355119087794
Energy: 1.0955152653133382
Energy: 1.1265355119051914
Energy: 1.080311005127633
Energy: 1.3099760202664135
Energy: 1.0986318489671576
Energy: 1.3099760202646193
Energy: 1.0969361435656655
Energy: 1.083097502124183
Energy: 1.100856306121349
Energy: 1.0830975021277711
Energy: 1.0841416134417645
Energy: 1.1990274189944783
Energy: 1.0825115368620126
Energy: 1.1990274189908905
Energy: 1.0855439408182905
Energy: 1.0830454201843913
Energy: 1.0818461901141305
Energy: 1.0830454201825972

minimum gb energy = 1.0721556532577967 eV
minimum distance =  2.23938739801839 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1022823284032492
Energy: 1.0606752045845391
Energy: 1.3581276147970212
Energy: 1.060675204567245
Energy: 1.2209977063471877
Energy: 1.2506725817037228
Energy: 1.0519112764637406
Energy: 1.2506725817074824
Energy: 1.0623650940266411
Energy: 1.0613349623380521
Energy: 1.2588754350823195
Energy: 1.0613349623478272
Energy: 1.0632286166910074
Energy: 1.2480760761854621
Energy: 1.0458679873883674
Energy: 1.2480760706815959
Energy: 1.068623491291687
Energy: 1.148899355307212
Energy: 1.064665129356262
Energy: 1.1488993553320253
Energy: 1.0412721345354576
Energy: 1.0926116724360455
Energy: 1.0718722142307455
Energy: 1.0926116724270223
Energy: 1.06883734769487
Energy: 1.0797646311236486
Energy: 1.477495707439713
Energy: 1.0797646311349274
Energy: 1.033556613361562
Energy: 1.2480748916774964
Energy: 1.0719227566977607
Energy: 1.2480748916654656
Energy: 1.075695723740838
Energy: 1.1544156441156679
Energy: 1.296995512140028
Energy: 1.1544156441201792
Energy: 1.2299210076326006
Energy: 1.3267282289370856
Energy: 1.0458777612225636
Energy: 1.3267282290843943
Energy: 1.0693508758139405
Energy: 1.1785575145463962
Energy: 1.0471412071250696
Energy: 1.178557514541133
Energy: 1.3608995665290022
Energy: 1.3269826814760204
Energy: 1.0446819515595327
Energy: 1.3269826814647416
Energy: 1.112760273723888
Energy: 1.0803321770767047
Energy: 1.0461248017302478
Energy: 1.080332177072945
Energy: 1.4002341334933546
Energy: 1.1767973935260077
Energy: 1.0450772461654512
Energy: 1.1767973935079612
Energy: 1.068734247641666
Energy: 1.0605382119058009
Energy: 1.0467695513851243
Energy: 1.0605382119373814
Energy: 1.0759599423200208
Energy: 1.177651269097335
Energy: 1.0498451539634541
Energy: 1.1776512691010943
Energy: 1.0746842435889028
Energy: 1.1411595427826389
Energy: 1.0520036041854661
Energy: 1.1411595427660965
Energy: 1.0609282173347327
Energy: 1.1503961440945023
Energy: 1.067966044548014
Energy: 1.1503961441133002
Energy: 1.0749396965297395
Energy: 1.0798570545864827
Energy: 1.0680619752391598
Energy: 1.079857054583475
Energy: 1.0747972809904267
Energy: 1.0797034490533912
Energy: 1.0680899613959756
Energy: 1.0797034490624147
Energy: 1.0616063001017384
Energy: 1.1505952459925106
Energy: 1.067843539823657
Energy: 1.1505952459902546
Energy: 1.0748159967059758
Energy: 1.1412201904284054
Energy: 1.051822918647483
Energy: 1.141220190451715
Energy: 1.075290596246179
Energy: 1.1772790242472282
Energy: 1.0512895392935264
Energy: 1.177279024256251
Energy: 1.0695596532969656
Energy: 1.0604890317283282
Energy: 1.0464320857441067
Energy: 1.060489031747058
Energy: 1.3997758981323662
Energy: 1.1768521554686895
Energy: 1.0449809514957735
Energy: 1.1768521554604183
Energy: 1.1092302459782482
Energy: 1.0802762357420683
Energy: 1.0464434024895009
Energy: 1.0802762357210145
Energy: 1.3611448129746797
Energy: 1.326930075352903
Energy: 1.0447437739606273
Energy: 1.326930075354407
Energy: 1.068916293592325
Energy: 1.177357042259128
Energy: 1.0478761547816733
Energy: 1.1773570422531126
Energy: 1.2300315288758794
Energy: 1.3268571626795422
Energy: 1.045888636086513
Energy: 1.3268571626825498
Energy: 1.0689301625181025
Energy: 1.154584023557631
Energy: 1.2692161538343356
Energy: 1.154584023557631
Energy: 1.0336726291534852
Energy: 1.2491417384979928
Energy: 1.0719252483707487
Energy: 1.2491417387354637
Energy: 1.0688664450985599
Energy: 1.0800939883032936
Energy: 1.3463614587268378
Energy: 1.080093988319084
Energy: 1.0412845186056867
Energy: 1.092709258042416
Energy: 1.0718179916460535
Energy: 1.0927092580514393
Energy: 1.0687094368139616
Energy: 1.148940932106631
Energy: 1.0680947672219072
Energy: 1.1489409321036235
Energy: 1.0636435671715216
Energy: 1.2476295092156426
Energy: 1.0456753735878166
Energy: 1.2476295092291774

minimum gb energy = 1.033556613361562 eV
minimum distance =  2.16165123203662 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1718415012274166
Energy: 1.1711146141459476
Energy: 1.5975269916379047
Energy: 1.1711146141498288
Energy: 1.1457905115980744
Energy: 1.0211955430191182
Energy: 0.9763280869373155
Energy: 1.0211955430229993
Energy: 1.1034570595594508
Energy: 1.1671765454041743
Energy: 1.2811678660655939
Energy: 1.1671765454041743
Energy: 1.0976090662642914
Energy: 1.0213731459035649
Energy: 0.9860075951192295
Energy: 1.0213731459061521
Energy: 0.9849288562087138
Energy: 1.0212649133788758
Energy: 1.120683808693809
Energy: 1.0212649133762886
Energy: 0.9810974325398263
Energy: 1.0212702737406034
Energy: 1.10683211249033
Energy: 1.0212702737406034
Energy: 0.9692555430118687
Energy: 1.2009266533478582
Energy: 1.371533072899678
Energy: 1.2009266533478582
Energy: 0.9584887991232923
Energy: 1.0227440758725195
Energy: 1.0253774894579124
Energy: 1.0227440758725195
Energy: 0.9770992133490363
Energy: 1.0213296008004198
Energy: 1.3665694135398225
Energy: 1.021329600799126
Energy: 1.3618948032514682
Energy: 1.1489334306391052
Energy: 1.1066196209505421
Energy: 1.1489334306494547
Energy: 0.984140299490864
Energy: 1.1208541557344478
Energy: 1.1010129545353113
Energy: 1.1208541557331542
Energy: 1.3108609100328994
Energy: 1.0216079322854934
Energy: 0.9862665797518743
Energy: 1.0216079322854934
Energy: 1.1035030251991402
Energy: 1.0212936806136685
Energy: 0.9826735072274855
Energy: 1.0212936806149624
Energy: 1.3861786474188
Energy: 1.0785653116914846
Energy: 0.9585541746686203
Energy: 1.0785653116953655
Energy: 1.1710233592582744
Energy: 1.202224747452748
Energy: 0.9586849273265112
Energy: 1.202224747452748
Energy: 1.171002191848916
Energy: 1.0225213942874107
Energy: 0.9755416023467275
Energy: 1.0225213942964664
Energy: 1.1038522172404734
Energy: 1.1508387769912916
Energy: 0.9538988947510753
Energy: 1.1508387769925852
Energy: 1.0983139255947971
Energy: 1.1211793168537476
Energy: 0.9801250291823925
Energy: 1.1211793168589224
Energy: 0.9841422200806036
Energy: 1.0230937234122808
Energy: 0.9797683831364223
Energy: 1.0230937234148678
Energy: 0.9801298968075959
Energy: 1.0228212055102335
Energy: 1.1036534785560672
Energy: 1.022821205511527

minimum gb energy = 0.9538988947510753 eV
minimum distance =  2.25627488471513 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9578377561517301
Energy: 0.8978847902047757
Energy: 1.539202404531918
Energy: 0.8978847902027555
Energy: 1.1209029551537533
Energy: 0.9225955762794358
Energy: 0.8990292586940439
Energy: 0.9225955762703442
Energy: 0.8938215959772159
Energy: 0.8936496925585264
Energy: 1.1846098578489515
Energy: 0.8936496925575163
Energy: 0.9028722251646872
Energy: 1.1160988152781544
Energy: 0.8991357382078701
Energy: 1.1160988153074036
Energy: 0.9007867262173366
Energy: 1.1180622273208807
Energy: 0.8979672869901424
Energy: 1.1180622273148195
Energy: 0.8635853688811349
Energy: 1.116322021367845
Energy: 0.8991042882306947
Energy: 1.1163220213648144
Energy: 0.9014676814631856
Energy: 0.8934467616385698
Energy: 0.9037916844691127
Energy: 0.8934467616345291
Energy: 0.8610963891316137
Energy: 0.957304226280474
Energy: 0.8957148044522972
Energy: 0.9573042262784536
Energy: 0.8983896423483042
Energy: 0.9230400280694832
Energy: 1.2249038667267313
Energy: 0.9230400280725137
Energy: 0.8630358438637374
Energy: 1.0953082382853325
Energy: 0.9594771324558437
Energy: 1.0953082382803276
Energy: 0.9017111381155567
Energy: 0.8936982938528584
Energy: 1.3006287876270022
Energy: 0.893698293856899
Energy: 1.1820475901998064
Energy: 1.2445774187058347
Energy: 0.895772113264405
Energy: 1.244577418702804
Energy: 0.9003562544407014
Energy: 0.923081503656328
Energy: 1.1920792124437172
Energy: 0.923081503656328
Energy: 1.158064023037773
Energy: 1.1921602396246112
Energy: 0.8995570442312901
Energy: 1.1921602396276418
Energy: 0.9022333554111968
Energy: 0.8938649491487877
Energy: 0.8637226970402594
Energy: 0.893864949150808
Energy: 1.146271313179422
Energy: 1.2443612524462995
Energy: 0.8993929287526568
Energy: 1.24436125244832
Energy: 0.9010877962590167
Energy: 0.9570917783181077
Energy: 0.8677594773040583
Energy: 0.9570917783362909
Energy: 1.125767682132912
Energy: 1.118758838934243
Energy: 0.8994784859979437
Energy: 1.118758838922121
Energy: 0.9637504966718913
Energy: 0.8939616116858624
Energy: 0.8637788411260363
Energy: 0.8939616116868726
Energy: 1.3067708759803645
Energy: 1.2435861931677283
Energy: 0.9000743339178112
Energy: 1.2435861931626775
Energy: 0.9010345212868278
Energy: 1.2434264073397723
Energy: 0.8615320185836884
Energy: 1.243426407263045
Energy: 0.8990946957798632
Energy: 0.9230199426304889
Energy: 0.9028737784461448
Energy: 0.9230199426325093
Energy: 0.9024435238517738
Energy: 0.9989980723870036
Energy: 1.1575202872841992
Energy: 0.998998072382963
Energy: 0.8679839533346996
Energy: 1.063479102257288
Energy: 0.8998164307035313
Energy: 1.0634791022593086
Energy: 0.9004432399572397
Energy: 1.2419929119534205
Energy: 1.147327426830851
Energy: 1.2419929119210948
Energy: 0.8630512760688105
Energy: 0.9573015780830808
Energy: 0.8934313040883264
Energy: 0.9573015780881318

minimum gb energy = 0.8610963891316137 eV
minimum distance =  2.25918247653476 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.1591148513600027
Energy: 0.8437677602587322
Energy: 1.4896874523751027
Energy: 0.8437677602554197
Energy: 1.1875962822138355
Energy: 0.8215283281702486
Energy: 0.810465275618499
Energy: 0.821528328176874
Energy: 0.841050976521672
Energy: 0.8074653938058959
Energy: 1.0529138628473944
Energy: 0.8074653938183184
Energy: 1.1524590502880014
Energy: 0.9837605182617295
Energy: 0.8105058762213732
Energy: 0.9837605182625577
Energy: 0.8047472225429516
Energy: 1.0238075088314578
Energy: 0.8222174553100153
Energy: 1.0238075088471934
Energy: 0.9705334433479114
Energy: 0.9834026110024316
Energy: 0.810310671573353
Energy: 0.9834026109999473
Energy: 0.8092679152902877
Energy: 0.9853764486429096
Energy: 0.8244852679850331
Energy: 0.9853764486255178
Energy: 0.7880255237532908
Energy: 0.8419028587443711
Energy: 0.8059069667089411
Energy: 0.8419028587451993
Energy: 0.8137022571197193
Energy: 0.8437121567944144
Energy: 1.092705465402064
Energy: 0.8437121567902734
Energy: 0.7884435283609479
Energy: 0.9722528104674382
Energy: 0.8422507308917556
Energy: 0.9722528104276855
Energy: 0.8091656866498768
Energy: 0.8216102746854809
Energy: 1.3208071000208101
Energy: 0.8216102746788554
Energy: 0.7881606091431897
Energy: 1.001336651582821
Energy: 1.1604253634539028
Energy: 1.0013366515844773
Energy: 0.8134116395018693
Energy: 0.8445486204366647
Energy: 1.3977737117077484
Energy: 0.8445486204242421
Energy: 1.0517217004679913
Energy: 0.9282677624358224
Energy: 0.8421612522026127
Energy: 0.9282677624242279
Energy: 0.8094029572276209
Energy: 0.821673235873415
Energy: 1.152225952623953
Energy: 0.8216732358725868
Energy: 1.035254822869763
Energy: 1.0008569237574871
Energy: 0.8059572891197553
Energy: 1.0008569237500335
Energy: 0.8135493495336811
Energy: 0.8443959191650867
Energy: 1.063392211584276
Energy: 0.8443959191576332
Energy: 1.038575880017141
Energy: 0.9282156258595324
Energy: 0.8105132907824246
Energy: 0.9282156258529071
Energy: 0.8092141845566119
Energy: 0.8417090499756945
Energy: 0.788266872789096
Energy: 0.8417090499988834
Energy: 1.0386537166639132
Energy: 1.0010106014674192
Energy: 0.8132345840534638
Energy: 1.001010601409522
Energy: 0.8458867316253756
Energy: 0.8426567043628446
Energy: 0.7919959233998528
Energy: 0.8426567043686418
Energy: 1.3199754690094962
Energy: 0.8664872998985429
Energy: 0.8103636798426971
Energy: 0.8664872999167628
Energy: 1.1627435799739192
Energy: 1.003118153787247
Energy: 0.7882454715820644
Energy: 1.0031181537458382
Energy: 1.1784501288030647
Energy: 1.0013604556901474
Energy: 0.8132956684842276
Energy: 1.0013604543805714
Energy: 0.8456125353226508
Energy: 0.9315616282108047
Energy: 0.7888054888169063
Energy: 0.9315616282166019
Energy: 1.1522664100487015
Energy: 0.8675502490994698
Energy: 0.8104205165264642
Energy: 0.8675502490953289
Energy: 0.8093254161349253
Energy: 1.001527039231472
Energy: 1.03484929558787
Energy: 1.0015270392405817
Energy: 0.8214586894741088
Energy: 0.8419815225735957
Energy: 0.8134166003382932
Energy: 0.8419815225636575
Energy: 0.8138344587389501
Energy: 0.9322790511003611
Energy: 1.0310707427280572
Energy: 0.9322790511028457
Energy: 0.7882982470544364
Energy: 0.8967124260728379
Energy: 0.8144675885528302
Energy: 0.896712426091886
Energy: 0.8177827194816127
Energy: 1.0006692692294774
Energy: 1.0395064978427737
Energy: 1.0006692692584638
Energy: 0.7881407437221721
Energy: 0.842791239031767
Energy: 0.8505634620950402
Energy: 0.842791239022657

minimum gb energy = 0.7880255237532908 eV
minimum distance =  2.25570353620224 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.1526074805191358
Energy: 0.7789899503033407
Energy: 1.4509569844062529
Energy: 0.7789899529632354
Energy: 1.272497175626524
Energy: 0.8335453644160091
Energy: 0.7644842973046634
Energy: 0.8335453643325207
Energy: 0.8705156609273832
Energy: 0.7743426478525447
Energy: 0.7727710002738153
Energy: 0.774342647846932
Energy: 1.1404552596082929
Energy: 0.8411879548561417
Energy: 0.7645612356487287
Energy: 0.8411879560679041
Energy: 0.8356089350273432
Energy: 0.7724755315397506
Energy: 0.8378898386508769
Energy: 0.7724755316147561
Energy: 1.1102931799380331
Energy: 0.7638383767827256
Energy: 0.7651537304380023
Energy: 0.7638383768304334
Energy: 0.7724707452276437
Energy: 0.9144586094798318
Energy: 0.8391409085828883
Energy: 0.9144586095001778
Energy: 0.9643910446746561
Energy: 0.9067912536794216
Energy: 0.7738105304937934
Energy: 0.9067912536661551
Energy: 0.7666249927669216
Energy: 0.7801934645008576
Energy: 1.057715863582551
Energy: 0.7801934645148892
Energy: 0.8059114145550033
Energy: 0.7749956643428506
Energy: 0.8365939116672284
Energy: 0.7749956643154889
Energy: 0.7637164479734542
Energy: 0.8338928742855891
Energy: 1.1408115210527952
Energy: 0.8338928740099943
Energy: 0.7336952969331528
Energy: 0.7748274359162636
Energy: 0.8710856897474532
Energy: 0.7748274359225779
Energy: 0.766956331924707
Energy: 0.7895668764486038
Energy: 1.4537413768341756
Energy: 0.7895668764184357
Energy: 0.7285889070429433
Energy: 0.768142918258941
Energy: 1.0598101081315172
Energy: 0.7681429182954234
Energy: 0.7636814240657417
Energy: 0.7665257926829578
Energy: 1.3295022649034223
Energy: 0.7665257927173353
Energy: 0.8633930553440413
Energy: 0.8446638951159833
Energy: 0.8709644794299941
Energy: 0.844663912070642
Energy: 0.7668477062179216
Energy: 0.7893639836403336
Energy: 1.3252839882300467
Energy: 0.7893639838871633
Energy: 0.9445825043421383
Energy: 0.7770482205133286
Energy: 0.8364511258915374
Energy: 0.7770482209060241
Energy: 0.7657264159780073
Energy: 0.7626793362893134
Energy: 1.1271351870665243
Energy: 0.7626793361868821
Energy: 1.0264547929372991
Energy: 0.8994004780927467
Energy: 0.7739688317947511
Energy: 0.8994004780941499
Energy: 0.7767581364222719
Energy: 0.7971896222373084
Energy: 1.0418449572499235
Energy: 0.797189622259759
Energy: 1.0401450667648913
Energy: 0.7787462169930246
Energy: 0.7699745719103346
Energy: 0.7787462169361963
Energy: 0.8385426055640701
Energy: 0.7633641122954212
Energy: 0.8067266917983121
Energy: 0.763364112236552
Energy: 1.3027835893387212
Energy: 0.9004556818191658
Energy: 0.7644314534236599
Energy: 0.900455681817061
Energy: 0.873273429652267
Energy: 0.7963365381449706
Energy: 0.7339234706887978
Energy: 0.796336538142866
Energy: 1.283401215620424
Energy: 0.7776124245790109
Energy: 0.7699411724544029
Energy: 0.7776124245832203
Energy: 1.1509606975884359
Energy: 0.7721459951272301
Energy: 0.7286306855798254
Energy: 0.7721459951265285
Energy: 1.3937095360316667
Energy: 0.8318088606090751
Energy: 0.7646163627087416
Energy: 0.831808860923257
Energy: 0.8737695384101039
Energy: 0.8695158627845327
Energy: 0.7479147876408723
Energy: 0.8695158627683964
Energy: 1.1411089192680854
Energy: 0.7890554091445582
Energy: 0.7702401802790919
Energy: 0.7890554091136883
Energy: 0.8385356358526725
Energy: 0.8354340244831774
Energy: 0.9635440773014541
Energy: 0.8354340245147487
Energy: 1.1233690862545667
Energy: 0.762302060039575
Energy: 0.7679106534912016
Energy: 0.762302060014318
Energy: 0.7769655308843831
Energy: 0.8759304331150725
Energy: 1.026799919486899
Energy: 0.8759304331206853
Energy: 0.8185006926910485
Energy: 0.796152720749568
Energy: 0.7807723768233371
Energy: 0.7961527207383426
Energy: 0.7513479186144779
Energy: 0.8427136314855179
Energy: 1.0315001201034684
Energy: 0.8427136313536839
Energy: 0.8226732949064997
Energy: 0.7628872299673255
Energy: 0.8419558226419952
Energy: 0.7628872299820586
Energy: 0.7667541244850242
Energy: 0.8691606965726912
Energy: 1.3013869662216135
Energy: 0.8691606966020939

minimum gb energy = 0.7285889070429433 eV
minimum distance =  2.25564263981851 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0073285148566804
Energy: 0.7516038631093834
Energy: 1.3970677530775677
Energy: 0.7516038631294634
Energy: 1.2298444952591923
Energy: 0.7457494093444867
Energy: 0.7045198323515975
Energy: 0.7457494093469207
Energy: 0.9609356281047758
Energy: 0.7454369324116178
Energy: 0.6586917004290638
Energy: 0.7454369324104009
Energy: 1.1822993866178053
Energy: 0.745747831735233
Energy: 0.7045849931951343
Energy: 0.74574783173645
Energy: 0.7441666778703317
Energy: 0.7024256722078382
Energy: 0.708203278904534
Energy: 0.7024256722078382
Energy: 1.0553834134207574
Energy: 0.7462637078176217
Energy: 0.7046681133389503
Energy: 0.7462637078182303
Energy: 0.700781040386924
Energy: 0.8763990555242744
Energy: 0.7176010488833126
Energy: 0.8763990555005712
Energy: 0.9305883499703972
Energy: 0.8538934231394233
Energy: 0.7046495077541886
Energy: 0.8538934231424656
Energy: 0.7039402161010387
Energy: 0.8320765954792766
Energy: 0.9154567718251727
Energy: 0.8320765954792766
Energy: 0.7940148779689132
Energy: 0.8763616483247855
Energy: 0.7015448429773278
Energy: 0.876361648198276
Energy: 0.7045250391037347
Energy: 0.7456251497403974
Energy: 0.9900485665184366
Energy: 0.7456251497531756
Energy: 0.6580531287540055
Energy: 0.7442088243142182
Energy: 0.7451572019476095
Energy: 0.7442088243123928
Energy: 0.7038622061321709
Energy: 0.7212765212327318
Energy: 1.1594306934206806
Energy: 0.7212765212345573
Energy: 0.6606352583434014
Energy: 0.852765639485787
Energy: 0.9618100070734517
Energy: 0.8527656395009992
Energy: 0.7065299823117615
Energy: 0.7458134973657636
Energy: 1.3021974415741355
Energy: 0.7458134973669807
Energy: 0.6577126044964566
Energy: 0.7514400123304316
Energy: 1.0082452954407621
Energy: 0.7514400123267806
Energy: 0.7038120395189801
Energy: 0.7212997013513215
Energy: 1.353817445444589
Energy: 0.7212997013525384
Energy: 0.8472153958401559
Energy: 0.8531327432827996
Energy: 0.9615757906275008
Energy: 0.8531327432864506
Energy: 0.7041232672766063
Energy: 0.8528083270526594
Energy: 1.181722460791247
Energy: 0.8528083270173673
Energy: 0.8421652940824168
Energy: 0.7514742518399949
Energy: 0.744958519873096
Energy: 0.7514742518326932
Energy: 0.7038993472791903
Energy: 0.7211187448044234
Energy: 1.055690644921476
Energy: 0.7211187448038148
Energy: 0.8376625167254428
Energy: 0.8526056992906542
Energy: 0.7014995179375904
Energy: 0.8526056993271357
Energy: 0.7065410626599421
Energy: 0.7440912540939539
Energy: 0.9300027288303445
Energy: 0.7440912540896945
Energy: 0.8487896837279534
Energy: 0.7746779036509045
Energy: 0.7047985219580675
Energy: 0.7746779036490791
Energy: 0.7037554900304481
Energy: 0.7440557188637236
Energy: 0.861190702120915
Energy: 0.7440557188527709
Energy: 1.1037282168328968
Energy: 0.8525793270859984
Energy: 0.7033493704428674
Energy: 0.8525793270945171
Energy: 0.7470276504840667
Energy: 0.7440449146619432
Energy: 0.6579935091410541
Energy: 0.744044914671679
Energy: 1.1133347853701356
Energy: 0.7747875761579605
Energy: 0.7046162979955486
Energy: 0.7747875760977481
Energy: 0.9638195850771913
Energy: 0.8532442291169047
Energy: 0.6611079103583959
Energy: 0.8532442291162962
Energy: 1.3022858660349863
Energy: 0.8523682504662776
Energy: 0.7047318568352825
Energy: 0.8523682504644523
Energy: 1.0103453655335672
Energy: 0.7441332273785722
Energy: 0.6578828160476281
Energy: 0.7441332273907418
Energy: 1.2101665640649941
Energy: 0.7706600744657055
Energy: 0.7046856731141046
Energy: 0.7706600744517104
Energy: 0.9637996832529467
Energy: 0.8526055595916799
Energy: 0.658751603120853
Energy: 0.852605559590463
Energy: 1.1822846575926975
Energy: 0.8522192391179619
Energy: 0.7062048982511399
Energy: 0.8522192421833693
Energy: 0.7471036522588169
Energy: 0.7438911457242201
Energy: 0.8420870744535
Energy: 0.7438911457449087
Energy: 0.9493525710741448
Energy: 0.770502996812586
Energy: 0.7046929419669816
Energy: 0.770502996811369
Energy: 0.7038134052281314
Energy: 0.8521712515183396
Energy: 0.8375763096692546
Energy: 0.8521712515207736
Energy: 0.9295285891099236
Energy: 0.743994879634137
Energy: 0.7061333596929862
Energy: 0.7439948796292691
Energy: 0.7067807190231493
Energy: 0.7440018088442182
Energy: 0.8488682207250072
Energy: 0.7440018088490861
Energy: 0.6713643747374525
Energy: 0.7991125082805927
Energy: 0.7075150861001144
Energy: 0.7991125082769417
Energy: 0.7034252306283583
Energy: 0.8523501435845484
Energy: 1.1032999819253975
Energy: 0.8523501435948926
Energy: 0.65801426529317
Energy: 0.7439319255953218
Energy: 0.743740193221029
Energy: 0.7439319256378882
Energy: 0.7049272863927967
Energy: 0.7440119435277467
Energy: 1.1136808792977078
Energy: 0.7440119435271384

minimum gb energy = 0.6577126044964566 eV
minimum distance =  2.26373470500359 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020532783015010794
Energy: 0.02248232515443233
Energy: 1.3086869742639535
Energy: 0.022482325152145446
Energy: 0.8902877627343369
Energy: 0.4173166328795752
Energy: 0.4169538233621188
Energy: 0.41731663288368115
Energy: 0.020532783015478565
Energy: 0.022482325152613215
Energy: 1.9547671495777443
Energy: 0.022482325152613215
Energy: 0.8902877627370915
Energy: 0.41731663287775606
Energy: 0.41695382335572595
Energy: 0.41731663287775606
Energy: 0.020532783015478565
Energy: 0.022482325154900097
Energy: 2.4043824483778593
Energy: 0.022482325153964557
Energy: 0.8902877627352723
Energy: 0.41731663287817183
Energy: 0.41695382335572595
Energy: 0.4173166328918932

minimum gb energy = 0.020532783015010794 eV
minimum distance =  2.48298674880045 Angstroms
sigma value = 1