Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000
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=3.519618335366251
cohesive_energy=4.4503470714016675
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: 0.01832247489218997
Energy: 0.018921378617720898
Energy: 0.5300500612696615
Energy: 0.018921378617095988
Energy: 0.018921378617720898
Energy: 1.0326016678729688
Energy: 0.018921378617720898
Energy: 1.0326016678729688
Energy: 0.5300500612696615
Energy: 0.018921378617720898
Energy: 0.01832247489218997
Energy: 0.018921378617720898
Energy: 0.018921378617095988
Energy: 1.0326016678736305
Energy: 0.018921378617095988
Energy: 1.0326016678729688

minimum gb energy = 0.01832247489218997 eV
minimum distance =  2.42812096221922 Angstroms
sigma value = 1


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

Energy: 1.2749374638519761
Energy: 1.2957896732921217
Energy: 1.256736467327678
Energy: 1.2957896732937266
Energy: 1.2265155499470684
Energy: 1.2846384808742641
Energy: 1.2076851405440752
Energy: 1.2846384808742641
Energy: 1.1406225505093979
Energy: 1.2773210830528396
Energy: 1.2054222091915725
Energy: 1.2773210830520372
Energy: 1.194706652035272
Energy: 1.3084233160464267
Energy: 1.1837412480673217
Energy: 1.3084233160464267
Energy: 1.1980831509163792
Energy: 1.2976776703265747
Energy: 1.2111505580487314
Energy: 1.2976776703257724
Energy: 1.1593279429709369
Energy: 1.281418647557473
Energy: 1.1419788652568912
Energy: 1.281418647557473
Energy: 1.2306218129779722
Energy: 1.277180396198832
Energy: 1.161390839148571
Energy: 1.2771803961996342
Energy: 1.0937785551171475
Energy: 1.2970410608700191
Energy: 1.1361012957964713
Energy: 1.2970410608724265
Energy: 1.1869825569920789
Energy: 1.2095622258359626
Energy: 1.213030720363781
Energy: 1.2095622258375673
Energy: 1.1326555491372372
Energy: 1.2769774410505865
Energy: 1.0862314162168962
Energy: 1.2769774410513892
Energy: 1.210626782660317
Energy: 1.2769902439329328
Energy: 1.186868742817065
Energy: 1.2769902439329328
Energy: 1.1980357514754476
Energy: 1.2966793620376087
Energy: 1.1481060862640189
Energy: 1.2966793620392134
Energy: 1.2056076393610056
Energy: 1.2767436071932914
Energy: 1.2302697035541754
Energy: 1.2767436071916864
Energy: 1.2127826752175235
Energy: 1.28293542399677
Energy: 1.1696659284436466
Energy: 1.2829354239975725
Energy: 1.2109659485011217
Energy: 1.2954839784914738
Energy: 1.2053243181912967
Energy: 1.2954839784922763
Energy: 1.2108706538601106
Energy: 1.295880679619219
Energy: 1.2053430416334503
Energy: 1.295880679617614
Energy: 1.2055115534015832
Energy: 1.2773567939812742
Energy: 1.1362737576696025
Energy: 1.2773567939804717
Energy: 1.207767472262458
Energy: 1.2739551625584746
Energy: 1.2276425037074392
Energy: 1.2739551625576722
Energy: 1.0926362757608494
Energy: 1.2961761490397958
Energy: 1.1466922371121515
Energy: 1.2961761490397958
Energy: 1.2084809407547905
Energy: 1.2091596705985317
Energy: 1.19196169130288
Energy: 1.2091596705985317
Energy: 1.1367033834501539
Energy: 1.277237214985739
Energy: 1.0843001145749485
Energy: 1.277237214985739
Energy: 1.1845395584819105
Energy: 1.2931734935029153
Energy: 1.2117646605398245
Energy: 1.2931734935061254
Energy: 1.2106770494360284
Energy: 1.2986763378769923
Energy: 1.1450133933086544
Energy: 1.298676337877795
Energy: 1.1846155845927548
Energy: 1.2771581660074998
Energy: 1.159706387962878
Energy: 1.2771581660050924
Energy: 1.1613520904691235
Energy: 1.2811179290974741
Energy: 1.230979328056916
Energy: 1.2811179290974741
Energy: 1.2015974331735242
Energy: 1.297248771256773
Energy: 1.144458266883596
Energy: 1.2972487712543657
Energy: 1.1938781873469557
Energy: 1.3573549208682694
Energy: 1.1867617465724998
Energy: 1.3573549208682694
Energy: 1.1439829608353689
Energy: 1.2766476505395055
Energy: 1.2493909458714427
Energy: 1.2766476505411106
Energy: 1.2254341645837576
Energy: 1.3180709736982181
Energy: 1.2098805374857966
Energy: 1.3180709736958105
Energy: 1.2723362826850269
Energy: 1.2962038629532513
Energy: 1.1985816460938454
Energy: 1.296203862954054
Energy: 1.2306159763879316
Energy: 1.2860990927100655
Energy: 1.2052935756579362
Energy: 1.2860990927116702
Energy: 1.1848718575323334
Energy: 1.2782997309382103
Energy: 1.212804904503237
Energy: 1.2782997309382103
Energy: 1.198053629899077
Energy: 1.3076196936541744
Energy: 1.1830820489894645
Energy: 1.3076196936565816

minimum gb energy = 1.0843001145749485 eV
minimum distance =  2.22021393839086 Angstroms
sigma value = 1


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

Energy: 1.3502217097266795
Energy: 1.3742824394656419
Energy: 1.3288967763333994
Energy: 1.3742824394711317
Energy: 1.2584349327582065
Energy: 1.3411691830724104
Energy: 1.2525257810342818
Energy: 1.3411691830742403
Energy: 1.192732492552297
Energy: 1.3683556068205731
Energy: 1.251764819355857
Energy: 1.368355606825148
Energy: 1.192526585805543
Energy: 1.233438247060114
Energy: 1.1999387327769595
Energy: 1.2334382470701786
Energy: 1.1924993017283079
Energy: 1.3459807919470774
Energy: 1.2423661588356056
Energy: 1.3459807919406728
Energy: 1.2715146000960509
Energy: 1.3467816639738148
Energy: 1.1943887950368457
Energy: 1.3467816639747296
Energy: 1.2557581863748923
Energy: 1.2318325173830382
Energy: 1.2170096972591764
Energy: 1.2318325173802935
Energy: 1.1283006629405934
Energy: 1.36938094340159
Energy: 1.1943181243097813
Energy: 1.3693809434043351
Energy: 1.2118095955378219
Energy: 1.275218980145757
Energy: 1.252448194274209
Energy: 1.275218980146672
Energy: 1.1914574289952422
Energy: 1.3684778520518424
Energy: 1.1816076864626328
Energy: 1.3684778520472676
Energy: 1.2569818696408572
Energy: 1.3085760103932527
Energy: 1.2526929038498895
Energy: 1.3085760103923378
Energy: 1.1674149836093288
Energy: 1.3589529846155926
Energy: 1.2519538868660085
Energy: 1.358952984609188
Energy: 1.275429779958252
Energy: 1.3454895283875765
Energy: 1.2422075486659405
Energy: 1.345489528383917
Energy: 1.2695967419255223
Energy: 1.3455155564796732
Energy: 1.2736779405221657
Energy: 1.3455155564778434
Energy: 1.167418439137789
Energy: 1.3590179690847985
Energy: 1.252268795355809
Energy: 1.3590179690902884
Energy: 1.2567269388310958
Energy: 1.3086220630044623
Energy: 1.2320008025234128
Energy: 1.3086220630090368
Energy: 1.1915001659969748
Energy: 1.3680115785345253
Energy: 1.1322787902381866
Energy: 1.368011578538185
Energy: 1.2116921913663732
Energy: 1.2749763452807148
Energy: 1.2524395979199037
Energy: 1.2749763452816298
Energy: 1.1283035426074204
Energy: 1.369411696964162
Energy: 1.194614443730496
Energy: 1.3694116969614172
Energy: 1.2559794401421003
Energy: 1.2318789787703266
Energy: 1.1999579938209524
Energy: 1.2318789787675817
Energy: 1.2711608227593387
Energy: 1.3467684457194524
Energy: 1.222452839219405
Energy: 1.346768445710303
Energy: 1.1924709376299272
Energy: 1.3462010138128457
Energy: 1.2440616059747145
Energy: 1.3462010138119307
Energy: 1.192571271428712
Energy: 1.233895033752419
Energy: 1.2324153135380103
Energy: 1.2338950337469294
Energy: 1.1926837740272436
Energy: 1.3681427236210806
Energy: 1.2519984262387718
Energy: 1.3681427236229105
Energy: 1.2584809874051828
Energy: 1.3411193962323908
Energy: 1.2525498442809406
Energy: 1.3411193962351358
Energy: 1.3502217097257645
Energy: 1.3742824394656419
Energy: 1.2791810481273707
Energy: 1.3742824394702167
Energy: 1.2584349327582065
Energy: 1.3411691830733252
Energy: 1.2525257810342818
Energy: 1.3411691830733252
Energy: 1.192732492552297
Energy: 1.3683556068205731
Energy: 1.251764819355857
Energy: 1.3683556068242329
Energy: 1.192526585803713
Energy: 1.2334382470720084
Energy: 1.1999387327760862
Energy: 1.2334382470509646

minimum gb energy = 1.1283006629405934 eV
minimum distance =  2.21526991718888 Angstroms
sigma value = 25


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

Energy: 1.300978946752725
Energy: 1.4305972194563934
Energy: 1.4126437094635427
Energy: 1.4305972194553298
Energy: 1.3362912151489057
Energy: 1.3796183208774402
Energy: 1.264699986571967
Energy: 1.379618320878504
Energy: 1.238683224474407
Energy: 1.4756028440571496
Energy: 1.2724060230834835
Energy: 1.4756028440571496
Energy: 1.2563033492027835
Energy: 1.3907597571710242
Energy: 1.2459824316126358
Energy: 1.390759757168897
Energy: 1.2478031786349886
Energy: 1.4328069040680582
Energy: 1.3203093439350153
Energy: 1.432806904069122
Energy: 1.358596008043118
Energy: 1.4751503896358569
Energy: 1.33616554539333
Energy: 1.4751503896369202
Energy: 1.2645237055597192
Energy: 1.277408037048266
Energy: 1.283400096028881
Energy: 1.277408037048266
Energy: 1.4096447937028613
Energy: 1.4323008805373323
Energy: 1.194548270911446
Energy: 1.4323008805362685
Energy: 1.2833066316028787
Energy: 1.3712273134249313
Energy: 1.2641827112715016
Energy: 1.3712273134249313
Energy: 1.2663837265087359
Energy: 1.4757469552581415
Energy: 1.2263911743956495
Energy: 1.4757469552581415
Energy: 1.3200584948830663
Energy: 1.4312589271953482
Energy: 1.264579175111912
Energy: 1.4312589271974754
Energy: 1.247161645022164
Energy: 1.4312766558285075
Energy: 1.2654259284457186
Energy: 1.4312766558285075
Energy: 1.2723013358072326
Energy: 1.3833874378332525
Energy: 1.2319881312239067
Energy: 1.3833874378332525
Energy: 1.2838614596545024
Energy: 1.3550393369148583
Energy: 1.2657723207778648
Energy: 1.355039336915922
Energy: 1.180306379669368
Energy: 1.4309478632251864
Energy: 1.1916683232110277
Energy: 1.4309478632251864
Energy: 1.2652398381963468
Energy: 1.2805207747646619
Energy: 1.2445036973798813
Energy: 1.2805207747667893
Energy: 1.1730990142703182
Energy: 1.4746118566194335
Energy: 1.172887243471411
Energy: 1.4746118566194335
Energy: 1.2460467701667044
Energy: 1.3850361755809715
Energy: 1.2566724888198884
Energy: 1.3850361755809715
Energy: 1.2658966633605275
Energy: 1.384813924617863
Energy: 1.248031711446752
Energy: 1.3848139246167996
Energy: 1.249749199780197
Energy: 1.474238124478333
Energy: 1.2645606038489565
Energy: 1.474238124477269
Energy: 1.293443125961524
Energy: 1.359878689150372
Energy: 1.2646090411017115
Energy: 1.3598786891514356
Energy: 1.3025416194737787
Energy: 1.4316680813491438
Energy: 1.3414543071809777
Energy: 1.4316680813502074
Energy: 1.2648787093965659
Energy: 1.381387609164039
Energy: 1.265141676832443
Energy: 1.3813876091629753
Energy: 1.2347204508712215
Energy: 1.4780982461824463
Energy: 1.2666780058509013
Energy: 1.47809824618351
Energy: 1.2651866609943414
Energy: 1.3893701185359926
Energy: 1.2450975565557731
Energy: 1.3893701185381198

minimum gb energy = 1.172887243471411 eV
minimum distance =  2.2134374287502 Angstroms
sigma value = 9


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

Energy: 1.3606743916332091
Energy: 1.36002686546969
Energy: 1.5106519164276835
Energy: 1.3600268654658836
Energy: 1.3371903023748333
Energy: 1.4523930740546647
Energy: 1.3510605231447095
Energy: 1.4523930740559334
Energy: 1.230797912485312
Energy: 1.3646297843226802
Energy: 1.3519631978532984
Energy: 1.3646297843239492
Energy: 1.3657170061071728
Energy: 1.4800183553787147
Energy: 1.2599585269667015
Energy: 1.4800183553736683
Energy: 1.4515018069633043
Energy: 1.451186241343934
Energy: 1.3346938814997993
Energy: 1.4511862413477117
Energy: 1.2151651992861308
Energy: 1.3648254267119286
Energy: 1.2602422637697608
Energy: 1.3648254267119286
Energy: 1.3584334735575112
Energy: 1.26051864030352
Energy: 1.2606866364726514
Energy: 1.260518640300982
Energy: 1.356385300812982
Energy: 1.364709794459778
Energy: 1.2466562655919307
Energy: 1.3647097944623154
Energy: 1.3594098007977276
Energy: 1.451816706172254
Energy: 1.354355522294248
Energy: 1.451816706172254
Energy: 1.364762047642379
Energy: 1.3599777446441226
Energy: 1.259746259408513
Energy: 1.3599777446441226
Energy: 1.2856853973642592
Energy: 1.4418015656765508
Energy: 1.3520207319132485
Energy: 1.4418015656765508
Energy: 1.365558687250936
Energy: 1.4304988974772548
Energy: 1.2596855040913102
Energy: 1.4304988974747173
Energy: 1.2151214188198936
Energy: 1.3600651826949828
Energy: 1.261094583229861
Energy: 1.360065182693714
Energy: 1.3362573519963943
Energy: 1.3640159641003915
Energy: 1.351704011911859
Energy: 1.3640159640991227
Energy: 1.2151285480985103
Energy: 1.3601882860358236
Energy: 1.2943275353821473
Energy: 1.3601882860358236
Energy: 1.3655584501916531
Energy: 1.4304967434248734
Energy: 1.2596912068773078
Energy: 1.4304967434236047
Energy: 1.2857074918655242
Energy: 1.4417593298945957
Energy: 1.2924936919949386
Energy: 1.4417593298907891
Energy: 1.36480171997708
Energy: 1.3601129977649398
Energy: 1.2596901216075045
Energy: 1.3601129977649398
Energy: 1.3592681058307212
Energy: 1.4519017463922976
Energy: 1.2977976369356374
Energy: 1.4519017463922976
Energy: 1.3563886819567583
Energy: 1.3645269233404635
Energy: 1.2466735274139642
Energy: 1.364526923343001
Energy: 1.3584590690822498
Energy: 1.2604967011496997
Energy: 1.2607545995640215
Energy: 1.260496701148431

minimum gb energy = 1.2151214188198936 eV
minimum distance =  2.30591579449207 Angstroms
sigma value = 25


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

Energy: 1.2959730605768651
Energy: 1.4790886386932032
Energy: 1.62755528298924
Energy: 1.4790886386932032
Energy: 1.2711725074669689
Energy: 1.4544546724512706
Energy: 1.2540783415294157
Energy: 1.4544546724512706
Energy: 1.2545592298742478
Energy: 1.4855836328071073
Energy: 1.2539556843967838
Energy: 1.4855836328086767
Energy: 1.2955032353384366
Energy: 1.461849977976117
Energy: 1.4424170875507063
Energy: 1.461849977976117
Energy: 1.4382154319493468
Energy: 1.271538850449741
Energy: 1.3196342520941404
Energy: 1.271538850449741
Energy: 1.2588985483873283
Energy: 1.5683002878467431
Energy: 1.2571757234163596
Energy: 1.5683002878467431
Energy: 1.254512418809048
Energy: 1.456113032724803
Energy: 1.2542941198007511
Energy: 1.456113032724803
Energy: 1.4390919953417425
Energy: 1.4774855354809606
Energy: 1.2955422300456854
Energy: 1.4774855354778222
Energy: 1.2541440225307217
Energy: 1.4541387787220243
Energy: 1.2744853776582534
Energy: 1.4541387787220243
Energy: 1.494950453321271
Energy: 1.4884026724997064
Energy: 1.2550345649595682
Energy: 1.4884026724997064
Energy: 1.3293156819448708
Energy: 1.544892064383389
Energy: 1.6047243405987148
Energy: 1.544892064383389
Energy: 1.2548161034962393
Energy: 1.3141002513648838
Energy: 1.4927147388127502
Energy: 1.3141002513648838
Energy: 1.4288912397969395
Energy: 1.487219716988012
Energy: 1.253896393063708
Energy: 1.487219716988012
Energy: 1.254159435256777
Energy: 1.4589509483496117
Energy: 1.295904993932377
Energy: 1.4589509483480783
Energy: 1.3112602079005653
Energy: 1.544153664403523
Energy: 1.434031054427529
Energy: 1.544153664403523
Energy: 1.2713109921210475
Energy: 1.4009997519493291
Energy: 1.2588489055008385
Energy: 1.4009997519508983
Energy: 1.2545592908250907
Energy: 1.3834874614913153
Energy: 1.491943158251474
Energy: 1.3834874614928843

minimum gb energy = 1.253896393063708 eV
minimum distance =  2.28897702034546 Angstroms
sigma value = 17


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

Energy: 1.4213770210906365
Energy: 1.4205900997774883
Energy: 1.6874516828562505
Energy: 1.4205900997774883
Energy: 1.476548061182134
Energy: 1.385990475387341
Energy: 1.2903750246079033
Energy: 1.3859904753855639
Energy: 1.4520533863652698
Energy: 1.4121157875372172
Energy: 1.290230844306772
Energy: 1.4121157875363286
Energy: 1.2923286142785841
Energy: 1.421330631507562
Energy: 1.399543965284997
Energy: 1.421330631507562
Energy: 1.4976679185086397
Energy: 1.5170817382930266
Energy: 1.3496424246754757
Energy: 1.5170817382939152
Energy: 1.3085174382810623
Energy: 1.3477775222661204
Energy: 1.4547346753600632
Energy: 1.3477775222670092
Energy: 1.2958337888916576
Energy: 1.4455097553560805
Energy: 1.2908678874035007
Energy: 1.4455097553551917
Energy: 1.4456265130581263
Energy: 1.420659113096017
Energy: 1.3055442503815837
Energy: 1.420659113096017
Energy: 1.3093273206638245
Energy: 1.4921535924560325
Energy: 1.5020051115712354
Energy: 1.4921535924560325
Energy: 1.597007026566321
Energy: 1.39449466931675
Energy: 1.2906535707307365
Energy: 1.39449466931675
Energy: 1.2963626253333593
Energy: 1.4214053727370133
Energy: 1.4565460176945038
Energy: 1.4214053727379021
Energy: 1.3067761201601749
Energy: 1.4419148323877053
Energy: 1.3063696009774801
Energy: 1.441914832388594
Energy: 1.470596096097346
Energy: 1.4204527973172802
Energy: 1.4198543033906694
Energy: 1.4204527973181689
Energy: 1.2902521525998973
Energy: 1.4755264107634656
Energy: 1.4658581007831837
Energy: 1.475526410765243
Energy: 1.4198217433795743
Energy: 1.4450427605225256
Energy: 1.3104617306149475
Energy: 1.4450427605216367
Energy: 1.4526555603101017
Energy: 1.420679268562492
Energy: 1.4462886233397259
Energy: 1.4206792685633807
Energy: 1.2912818533006656
Energy: 1.4869210866522218
Energy: 1.6090117619360043
Energy: 1.4869210866504443
Energy: 1.4440691547838835
Energy: 1.4115152858240443
Energy: 1.3085344694793315
Energy: 1.4115152858240443
Energy: 1.2917829286668459
Energy: 1.48745931987305
Energy: 1.380900537301928
Energy: 1.48745931987305
Energy: 1.2907657230846956
Energy: 1.423676385619894
Energy: 1.293210561360741
Energy: 1.4236763856181165
Energy: 1.3687069689633966
Energy: 1.4127055753507036
Energy: 1.451646405079934
Energy: 1.4127055753515925
Energy: 1.2912221335615155
Energy: 1.5377482009563286
Energy: 1.5971699276793023
Energy: 1.5377482009563286
Energy: 1.4294322852260906
Energy: 1.421549818179589
Energy: 1.290520218361112
Energy: 1.4215498181787003
Energy: 1.3063163302659753
Energy: 1.4450608850430102
Energy: 1.4689132471074073
Energy: 1.4450608850421216
Energy: 1.3061650358091343
Energy: 1.4126176309881564
Energy: 1.4663702266950898
Energy: 1.4126176309863792
Energy: 1.4907017178974598
Energy: 1.4209188877276764
Energy: 1.2920614324504902
Energy: 1.420918887728565
Energy: 1.3257443352737985
Energy: 1.4926976085619332
Energy: 1.639666470642013
Energy: 1.4926976085637105
Energy: 1.44540664128844
Energy: 1.3488584695376273
Energy: 1.4531127184936168
Energy: 1.3488584695376273
Energy: 1.5469990682222425
Energy: 1.4809739251647365
Energy: 1.295645390754547
Energy: 1.480973925162959
Energy: 1.3057553813790042
Energy: 1.4902655193102963
Energy: 1.443596238822377
Energy: 1.4902655193094074

minimum gb energy = 1.290230844306772 eV
minimum distance =  2.1945884531808 Angstroms
sigma value = 53


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

Energy: 1.22711085501621
Energy: 1.2268084327737547
Energy: 1.7448046476555044
Energy: 1.2268084327737547
Energy: 1.4864189230476148
Energy: 1.3479320455739339
Energy: 1.2888122960522965
Energy: 1.3479320455739339
Energy: 1.2282532901571805
Energy: 1.2263331268983668
Energy: 1.3623822748257275
Energy: 1.226333126896321
Energy: 1.2279173771390528
Energy: 1.226260813170878
Energy: 1.2587412038049473
Energy: 1.226260813168832
Energy: 1.4865359568303405
Energy: 1.347813368402318
Energy: 1.2887266913382251
Energy: 1.347813368400272
Energy: 1.22711085501621
Energy: 1.2268084327758004
Energy: 1.6399037123881848
Energy: 1.2268084327737547
Energy: 1.4864189230476148
Energy: 1.3479320455759796
Energy: 1.2888122960502508
Energy: 1.3479320455739339
Energy: 1.2282532901551344
Energy: 1.2263331268983668
Energy: 1.4621731926351444
Energy: 1.226333126896321
Energy: 1.2279173771390528
Energy: 1.226260813168832
Energy: 1.2587412038049473
Energy: 1.226260813166786
Energy: 1.4865359568303405
Energy: 1.347813368402318
Energy: 1.2887266913402708
Energy: 1.347813368402318
Energy: 1.22711085501621
Energy: 1.2268084327737547
Energy: 1.606095276138212
Energy: 1.2268084327737547
Energy: 1.4864189230496607
Energy: 1.3479320455739339
Energy: 1.2888122960542963
Energy: 1.3479320455739339
Energy: 1.2282532901571805
Energy: 1.2263331268983668
Energy: 1.4621731926351444
Energy: 1.226333126896321

minimum gb energy = 1.226260813166786 eV
minimum distance =  2.27050680900689 Angstroms
sigma value = 9


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

Energy: 1.358099664132464
Energy: 1.5379486768666666
Energy: 1.779518366503777
Energy: 1.537948676865152
Energy: 1.5270726874397262
Energy: 1.429112982266602
Energy: 1.3687830539960515
Energy: 1.429112982265845
Energy: 1.3419763780592397
Energy: 1.342420193796623
Energy: 1.3598079976487902
Energy: 1.34242019379738
Energy: 1.489511535041802
Energy: 1.6021430529596319
Energy: 1.3733794535133395
Energy: 1.6021430529596319
Energy: 1.516668735856595
Energy: 1.4253560766378472
Energy: 1.3648942937283202
Energy: 1.42535607663709
Energy: 1.342232875620091
Energy: 1.3414257979892914
Energy: 1.5024443833296144
Energy: 1.3414257979877768
Energy: 1.7304323483227293
Energy: 1.4196074081433265
Energy: 1.3700791324019896
Energy: 1.4196074081455983
Energy: 1.3508619441839989
Energy: 1.4477074830489283
Energy: 1.50424947928233
Energy: 1.4477074830481709
Energy: 1.3455047911643736
Energy: 1.6164900585351725
Energy: 1.355561403962565
Energy: 1.616490058534415
Energy: 1.3444586491381854
Energy: 1.4218882286055607
Energy: 1.3602461771862098
Energy: 1.4218882286055607
Energy: 1.3532086335884952
Energy: 1.4478425451406525
Energy: 1.7108667749092061
Energy: 1.447842545142167
Energy: 1.5262283363362439
Energy: 1.5509745225012774
Energy: 1.3502901318983371
Energy: 1.5509745225012774
Energy: 1.3462533839805555
Energy: 1.4465046139918794
Energy: 1.6148993697329206
Energy: 1.4465046139911222
Energy: 1.4927037603115416
Energy: 1.4477037186808297
Energy: 1.3665701344814816
Energy: 1.4477037186793151
Energy: 1.3551067649517647
Energy: 1.5189046791047063
Energy: 1.5001976025777353
Energy: 1.5189046791054635
Energy: 1.3516146639384445
Energy: 1.6143832249372523
Energy: 1.4948733472440845
Energy: 1.6143832249372523
Energy: 1.4254002016576446
Energy: 1.5188229042727879
Energy: 1.354788326019921
Energy: 1.518822904273545
Energy: 1.3576437051575956
Energy: 1.4196822491438086
Energy: 1.5125672716484337
Energy: 1.4196822491422942
Energy: 1.5071589558751273
Energy: 1.3527255705191983
Energy: 1.3453737306457771
Energy: 1.352725570522227
Energy: 1.350814185020796
Energy: 1.438819488379337
Energy: 1.440704717652017
Energy: 1.4388194883800944
Energy: 1.4961184872268554
Energy: 1.6024386035315115
Energy: 1.4902095198117404
Energy: 1.6024386035322686
Energy: 1.4605188000053886
Energy: 1.5194383761378625
Energy: 1.3438328495556482
Energy: 1.5194383761378625
Energy: 1.3495209378365869
Energy: 1.3555648042364226
Energy: 1.3451103983658366
Energy: 1.3555648042386943
Energy: 1.7303769637638897
Energy: 1.444899113654789
Energy: 1.3502985765781919
Energy: 1.444899113654789
Energy: 1.3690420539260597
Energy: 1.5655503319639337
Energy: 1.6474254354907931
Energy: 1.5655503319639337
Energy: 1.418040562781569
Energy: 1.3419838612683919
Energy: 1.3426405982477976
Energy: 1.3419838612668777
Energy: 1.505158777496556
Energy: 1.5242889786470577
Energy: 1.4888871515759177
Energy: 1.524288978647815
Energy: 1.3562848557703862
Energy: 1.6015284831468228
Energy: 1.4894395382114969
Energy: 1.6015284831475798
Energy: 1.4286281029566845
Energy: 1.3416753679430475
Energy: 1.3415487025624457
Energy: 1.3416753679430475
Energy: 1.3602175772093865
Energy: 1.564247845418941
Energy: 1.6450080798328313
Energy: 1.5642478454174267
Energy: 1.5107747400396452
Energy: 1.4433735985775675
Energy: 1.3493241620939722
Energy: 1.4433735985805962
Energy: 1.3684336437299465
Energy: 1.4242250576837825
Energy: 1.3432322326807742
Energy: 1.4242250576845397
Energy: 1.3608717697763493
Energy: 1.516710397970951
Energy: 1.3421384285225477
Energy: 1.5167103979701937
Energy: 1.5018870124965298
Energy: 1.604073833466211
Energy: 1.489996122803893
Energy: 1.6040738334646965
Energy: 1.3647938864894262
Energy: 1.571595374903782
Energy: 1.7300441249779914
Energy: 1.5715953749052967

minimum gb energy = 1.3414257979877768 eV
minimum distance =  2.21070889842238 Angstroms
sigma value = 73


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

Energy: 1.4447813913571494
Energy: 1.4431659978752658
Energy: 1.7895223863911025
Energy: 1.4431659978728628
Energy: 1.4565575079175843
Energy: 1.481864029636104
Energy: 1.3737848874717244
Energy: 1.4818640296349026
Energy: 1.3673057718121417
Energy: 1.3483329214886646
Energy: 1.3762023582151641
Energy: 1.3483329214886646
Energy: 1.3506967939053598
Energy: 1.3679888940781868
Energy: 1.3940101231339324
Energy: 1.3679888940781868
Energy: 1.4268399986409144
Energy: 1.4769867929025249
Energy: 1.417616685987721
Energy: 1.4769867929049274
Energy: 1.3789401803225536
Energy: 1.379978934487943
Energy: 1.593377851218428
Energy: 1.379978934487943
Energy: 1.7107806054067698
Energy: 1.5529506061016305
Energy: 1.3778788839910823
Energy: 1.5529506061016305
Energy: 1.3533644649501704
Energy: 1.3470645804754604
Energy: 1.6013339902722188
Energy: 1.3470645804754604
Energy: 1.6619696477984214
Energy: 1.3484323233744375
Energy: 1.3468346561855524
Energy: 1.3484323233744375
Energy: 1.3700910889918034
Energy: 1.4719267609072053
Energy: 1.3705060917000333
Energy: 1.4719267609072053
Energy: 1.350669554963757
Energy: 1.3485580578202236
Energy: 1.5864871779190142
Energy: 1.3485580578190224
Energy: 1.5112453293128438
Energy: 1.3676922254741797
Energy: 1.3514193722683159
Energy: 1.3676922254741797
Energy: 1.3756535425522174
Energy: 1.4546018534114562
Energy: 1.595123210986513
Energy: 1.4546018534126577
Energy: 1.6325682219294815
Energy: 1.5377638310650152
Energy: 1.3783962060420782
Energy: 1.5377638310650152
Energy: 1.350739321299852
Energy: 1.579147944958962
Energy: 1.5836732484232372
Energy: 1.579147944958962
Energy: 1.5899338461532357
Energy: 1.3477161151477066
Energy: 1.353801680791355
Energy: 1.3477161151465051
Energy: 1.4600638129353685
Energy: 1.4464807113775384
Energy: 1.3670020623838508
Energy: 1.4464807113775384
Energy: 1.451516657118889
Energy: 1.3682311091323522
Energy: 1.3669886692872206
Energy: 1.3682311091299495
Energy: 1.5154101423600688
Energy: 1.3472987522770425
Energy: 1.3514427108343263
Energy: 1.3472987522746396
Energy: 1.3748465504165135
Energy: 1.5068135985503577
Energy: 1.6948564029377327
Energy: 1.5068135985491564
Energy: 1.6141111316487158
Energy: 1.3598905366633118
Energy: 1.3778884032968617
Energy: 1.3598905366633118
Energy: 1.39465768055574
Energy: 1.483567670902143
Energy: 1.5291071594744454
Energy: 1.4835676709009415

minimum gb energy = 1.3468346561855524 eV
minimum distance =  2.22937349446521 Angstroms
sigma value = 7


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

Energy: 1.3879810872159901
Energy: 1.3869238383049687
Energy: 1.7937985754135148
Energy: 1.386923838306668
Energy: 1.6835079244875402
Energy: 1.4733726638896292
Energy: 1.3844024728458408
Energy: 1.4733726638887796
Energy: 1.3587502475861222
Energy: 1.3871134766300441
Energy: 1.385709040219642
Energy: 1.3871134766274955
Energy: 1.4083251359422595
Energy: 1.4846133178464642
Energy: 1.3845208748542561
Energy: 1.4846133178447651
Energy: 1.3591973384880986
Energy: 1.4603928534892234
Energy: 1.4046639485158536
Energy: 1.4603928534892234
Energy: 1.3621000933222696
Energy: 1.388904322400675
Energy: 1.6408674694348617
Energy: 1.3889043223964275
Energy: 1.5237294257787923
Energy: 1.5296237000569028
Energy: 1.4092560737107314
Energy: 1.5296237000526554
Energy: 1.3619993139438125
Energy: 1.3881774814752328
Energy: 1.6913069805457037
Energy: 1.3881774814760823
Energy: 1.5424483419871584
Energy: 1.467596995068137
Energy: 1.3758123951354184
Energy: 1.4675969950655885
Energy: 1.3641221235968763
Energy: 1.4994614628706728
Energy: 1.504374928176788
Energy: 1.4994614628740708
Energy: 1.413985840268955
Energy: 1.3886828530259778
Energy: 1.4077624367539676
Energy: 1.3886828530234296
Energy: 1.4240187849238304
Energy: 1.4614925665896246
Energy: 1.4076096047976825
Energy: 1.461492566585377
Energy: 1.386996595647985
Energy: 1.3913468821862798
Energy: 1.4090084278081578
Energy: 1.3913468821905275
Energy: 1.3978659961318385
Energy: 1.3790513055450573
Energy: 1.406528169668363
Energy: 1.3790513055357128
Energy: 1.3713066640941916
Energy: 1.601427953612334
Energy: 1.535560080849159
Energy: 1.6014279536148823
Energy: 1.7670407628651228
Energy: 1.3783089179283659
Energy: 1.3719803453235269
Energy: 1.3783089179215697
Energy: 1.3717194431518025
Energy: 1.466445291814528
Energy: 1.4435262277197414
Energy: 1.4664452918119792
Energy: 1.392492961092931
Energy: 1.5789767328171822
Energy: 1.4072281788912702
Energy: 1.5789767328180317
Energy: 1.3717919186443148
Energy: 1.388887279188297
Energy: 1.4086948629137093
Energy: 1.388887279188297
Energy: 1.3641419886807131
Energy: 1.460062198127225
Energy: 1.4077540933291672
Energy: 1.4600621981280746
Energy: 1.414074511729335
Energy: 1.5866729826635866
Energy: 1.3758435331296033
Energy: 1.5866729826593389
Energy: 1.3625045791125678
Energy: 1.3870235633555006
Energy: 1.5056550012745742
Energy: 1.3870235633529517
Energy: 1.6561605290696755
Energy: 1.4674788038045683
Energy: 1.4076153247495016
Energy: 1.46747880380117
Energy: 1.3927324810208965
Energy: 1.388672121092024
Energy: 1.6398044689324842
Energy: 1.388672121086927
Energy: 1.4139637791060862
Energy: 1.460732164275827
Energy: 1.4092314336889238
Energy: 1.4607321642774875
Energy: 1.4089136826236095
Energy: 1.3881199272256337
Energy: 1.4008102159914675
Energy: 1.3881199272247842
Energy: 1.359244705459409
Energy: 1.4918050430880303
Energy: 1.520819634054679
Energy: 1.4918050430922778
Energy: 1.408502132481804
Energy: 1.4662516868632862
Energy: 1.3846127546302909
Energy: 1.466251686860738
Energy: 1.3582072151415352
Energy: 1.3878185352733856
Energy: 1.560802611675603
Energy: 1.3878185352725358
Energy: 1.390269313216166
Energy: 1.402787394909691
Energy: 1.3840866201282955
Energy: 1.40278739491139
Energy: 1.3582244204917846
Energy: 1.3874739582314726
Energy: 1.6267468294946799
Energy: 1.38747395823572

minimum gb energy = 1.3582072151415352 eV
minimum distance =  2.21298666542354 Angstroms
sigma value = 29


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

Energy: 1.3531379716890433
Energy: 1.333546241714266
Energy: 1.7985486185018191
Energy: 1.333546241713674
Energy: 1.300684464824903
Energy: 1.3580944543398565
Energy: 1.3546343886790067
Energy: 1.3580944543410072
Energy: 1.3658384864132285
Energy: 1.4179146576405892
Energy: 1.2999171206184572
Energy: 1.4179146576440742
Energy: 1.3549171026000009
Energy: 1.3034933451421002
Energy: 1.3812968202603628
Energy: 1.3034933451418376
Energy: 1.3536270846229241
Energy: 1.3874132300648974
Energy: 1.3348128125938044
Energy: 1.3874132300646014
Energy: 1.3469942473313306
Energy: 1.4184121019417926
Energy: 1.3466749060517607
Energy: 1.4184121019417926
Energy: 1.3347319222800225
Energy: 1.3875410077737385
Energy: 1.3536116654450538
Energy: 1.3875410077743304
Energy: 1.3099298663488788
Energy: 1.3036002894299354
Energy: 1.3548353896172138
Energy: 1.30360028942964
Energy: 1.2998469351977369
Energy: 1.4179417578969853
Energy: 1.3659420503761237
Energy: 1.4179417578981361

minimum gb energy = 1.2998469351977369 eV
minimum distance =  2.26799870706837 Angstroms
sigma value = 5


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

Energy: 1.3083832000793494
Energy: 1.3274325084064382
Energy: 1.761738945664354
Energy: 1.3274325084072403
Energy: 1.4908780142092575
Energy: 1.3547693879324973
Energy: 1.2648093252036605
Energy: 1.3547693879324973
Energy: 1.2767632675013938
Energy: 1.3174679759551085
Energy: 1.5019294024552965
Energy: 1.3174679759575159
Energy: 1.2674750872897618
Energy: 1.3874585288774894
Energy: 1.2775411015598914
Energy: 1.3874585288758845
Energy: 1.2886876689210232
Energy: 1.3956090812682098
Energy: 1.5281696785582526
Energy: 1.3956090812674076
Energy: 1.325252213930235
Energy: 1.3297128239523377
Energy: 1.2637997546921296
Energy: 1.3297128239531397
Energy: 1.274347632247483
Energy: 1.3931044200040932
Energy: 1.2910150677889154
Energy: 1.3931044200048956
Energy: 1.2709945254472998
Energy: 1.3314529978403584
Energy: 1.2817003684515127
Energy: 1.331452997841161
Energy: 1.288791754537578
Energy: 1.3932017568600232
Energy: 1.2823366076084854
Energy: 1.3932017568600232
Energy: 1.2838258034213592
Energy: 1.393735503521985
Energy: 1.2690374395328752
Energy: 1.393735503521985
Energy: 1.2681586048438491
Energy: 1.3306154123412366
Energy: 1.281352711457999
Energy: 1.3306154123404341
Energy: 1.2809595439749375
Energy: 1.4085884851183579
Energy: 1.329036477692321
Energy: 1.4085884851167532
Energy: 1.322625875227056
Energy: 1.3288892046789291
Energy: 1.3319111034477418
Energy: 1.3288892046781267
Energy: 1.2888176679396601
Energy: 1.328292843879668
Energy: 1.3432787731071714
Energy: 1.3282928438804702
Energy: 1.5178957274734106
Energy: 1.3898892404048109
Energy: 1.2809958851967296
Energy: 1.3898892404056136
Energy: 1.2799871206062925
Energy: 1.3169663406860206
Energy: 1.303211473154123
Energy: 1.3169663406860206
Energy: 1.4934312293745267
Energy: 1.412312400267202
Energy: 1.2636046185996725
Energy: 1.412312400268807
Energy: 1.29181200766713
Energy: 1.328372395485211
Energy: 1.4166302682313805
Energy: 1.3283723954836062
Energy: 1.2699145590622123
Energy: 1.3960375756546808
Energy: 1.2662406398113923
Energy: 1.3960375756546808
Energy: 1.275434579434254
Energy: 1.3854757029849303
Energy: 1.2963997852662021
Energy: 1.3854757029905473
Energy: 1.267705379174897
Energy: 1.385276574417518
Energy: 1.27969889050668
Energy: 1.3852765744167155
Energy: 1.290581734047829
Energy: 1.393517291730824
Energy: 1.2953847900258688
Energy: 1.393517291730824
Energy: 1.2641831316057033
Energy: 1.3303457233082556
Energy: 1.266636439676247
Energy: 1.3303457233082556
Energy: 1.327049386347067
Energy: 1.3334647495266456
Energy: 1.2763357270842552
Energy: 1.3334647495290528
Energy: 1.3364323334685142
Energy: 1.3164785915102692
Energy: 1.2643349494010425
Energy: 1.3164785915094668
Energy: 1.313051556140433
Energy: 1.3285607911462693
Energy: 1.2889633702797492
Energy: 1.3285607911454669
Energy: 1.264002735762198
Energy: 1.3773072700270492
Energy: 1.3109846703417025
Energy: 1.3773072700270492
Energy: 1.342639356920508
Energy: 1.3660248567049977
Energy: 1.2802462867632982
Energy: 1.3660248567058002
Energy: 1.2805100263115312
Energy: 1.356736929843602
Energy: 1.5131663325736684
Energy: 1.3567369298460095
Energy: 1.4151902934127696
Energy: 1.3279574510514063
Energy: 1.2914498031658523
Energy: 1.3279574510530112
Energy: 1.2640251972401246
Energy: 1.2961879177015216
Energy: 1.4138026316001067
Energy: 1.296187917700719
Energy: 1.5080619973188558
Energy: 1.3612672232142036
Energy: 1.2770229325606588
Energy: 1.3612672232125989
Energy: 1.2809011662248875
Energy: 1.3866287522907008
Energy: 1.2683798038925622
Energy: 1.3866287522898983

minimum gb energy = 1.2636046185996725 eV
minimum distance =  2.21413196533823 Angstroms
sigma value = 1


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

Energy: 1.27117343868827
Energy: 1.2706664513710282
Energy: 1.760359812998935
Energy: 1.2706664513699186
Energy: 1.266014156547558
Energy: 1.2951655376416924
Energy: 1.2148227417426554
Energy: 1.2951655376428022
Energy: 1.2083491607065862
Energy: 1.27098133680111
Energy: 1.4253270241583378
Energy: 1.2709813368000005
Energy: 1.2343782184718188
Energy: 1.354675389244313
Energy: 1.2166510789257332
Energy: 1.3546753892454224
Energy: 1.2063711852789474
Energy: 1.3990030266506444
Energy: 1.5086589281054936
Energy: 1.3990030266517541
Energy: 1.2041331927408494
Energy: 1.2752441008182533
Energy: 1.2166580078697913
Energy: 1.275244100819363
Energy: 1.2062019836019828
Energy: 1.3977824119468718
Energy: 1.2597950431023
Energy: 1.3977824119479811
Energy: 1.2058067448794216
Energy: 1.2751296720348926
Energy: 1.3005909930110267
Energy: 1.2751296720360021
Energy: 1.2703703804770385
Energy: 1.268439548365875
Energy: 1.3005560326855279
Energy: 1.2684395483703135
Energy: 1.2703585622308982
Energy: 1.2682846930519853
Energy: 1.3005522426305616
Energy: 1.2682846930530947
Energy: 1.205810701267324
Energy: 1.2750985677172244
Energy: 1.3006754441185167
Energy: 1.275098567715005
Energy: 1.206496723770349
Energy: 1.3977409193541517
Energy: 1.2597687102492157
Energy: 1.3977409193563708
Energy: 1.2040946407436888
Energy: 1.2752750763675738
Energy: 1.2168385820084562
Energy: 1.2752750763675738
Energy: 1.2063919455105185
Energy: 1.396210784298887
Energy: 1.5082448783214708
Energy: 1.3962107842966682
Energy: 1.2337359498190807
Energy: 1.354409688412131
Energy: 1.2164987556959432
Energy: 1.3544096884165695
Energy: 1.2086640318487483
Energy: 1.270951817192354
Energy: 1.3341767962624642
Energy: 1.2709518171956824
Energy: 1.2659561791901002
Energy: 1.2953273604312945
Energy: 1.2148129637716862
Energy: 1.2953273604324043
Energy: 1.2711734386871603
Energy: 1.2706664513710282
Energy: 1.287289076838416
Energy: 1.2706664513699186
Energy: 1.2660141565464484
Energy: 1.2951655376416924
Energy: 1.2148227417426554
Energy: 1.2951655376428022
Energy: 1.2083491607076955
Energy: 1.27098133680111
Energy: 1.4253270241572282
Energy: 1.2709813368000005
Energy: 1.2343782184729282
Energy: 1.354675389244313
Energy: 1.216651078926843
Energy: 1.354675389244313
Energy: 1.2063711852800567
Energy: 1.3990030266506444
Energy: 1.4978934219637323
Energy: 1.3990030266517541
Energy: 1.2041331927397398
Energy: 1.2752441008182533
Energy: 1.2166580078697913
Energy: 1.2752441008204725
Energy: 1.2062019836030924
Energy: 1.3977824119468718
Energy: 1.2597950431023
Energy: 1.3977824119479811

minimum gb energy = 1.2040946407436888 eV
minimum distance =  2.23490184394633 Angstroms
sigma value = 17


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

Energy: 1.2622209692989466
Energy: 1.2621815985085432
Energy: 1.7397342774488849
Energy: 1.2621815985071716
Energy: 1.4363514489776024
Energy: 1.2461974236910243
Energy: 1.2230836865039008
Energy: 1.2461974236875952
Energy: 1.218682245426167
Energy: 1.2457043819727656
Energy: 1.5033321463261144
Energy: 1.2457043819727656
Energy: 1.2657252394498912
Energy: 1.207907985966075
Energy: 1.2097517689549446
Energy: 1.2079079859667607
Energy: 1.211274560285015
Energy: 1.346541936204666
Energy: 1.2467606519442223
Energy: 1.3465419362032944
Energy: 1.2066345128576446
Energy: 1.2261178175575087
Energy: 1.2337574151166744
Energy: 1.2261178175554512
Energy: 1.2257496112670625
Energy: 1.324531979786839
Energy: 1.2487671133370826
Energy: 1.324531979786839
Energy: 1.2046539553997277
Energy: 1.3142637247788664
Energy: 1.2135098161286428
Energy: 1.314263724776809
Energy: 1.2592704942078685
Energy: 1.3090169309633009
Energy: 1.2471390568035337
Energy: 1.3090169309660442
Energy: 1.2631157411275087
Energy: 1.311060898302709
Energy: 1.2216885662556172
Energy: 1.3110608983020233
Energy: 1.2184401327584913
Energy: 1.2851103873141476
Energy: 1.215094059059941
Energy: 1.2851103873141476
Energy: 1.2214422973265204
Energy: 1.3162556320632737
Energy: 1.2120166498752858
Energy: 1.3162556320632737
Energy: 1.2050575933282344
Energy: 1.299412786957785
Energy: 1.2226681784210198
Energy: 1.2994127869550418
Energy: 1.2212662616043388
Energy: 1.3448802202977987
Energy: 1.2614467237379405
Energy: 1.3448802202991703
Energy: 1.202818760810942
Energy: 1.221505302413402
Energy: 1.2731536556567238
Energy: 1.2215053024147737
Energy: 1.218692444696029
Energy: 1.246963334458256
Energy: 1.236645406842645
Energy: 1.2469633344575703
Energy: 1.2401787392252412
Energy: 1.221908824905828
Energy: 1.2227955312118155
Energy: 1.2219088249030852
Energy: 1.2104553712652402
Energy: 1.2623893831299815
Energy: 1.2234284439877665
Energy: 1.2623893831306672
Energy: 1.3962334083268566
Energy: 1.3199422945398256
Energy: 1.2189617529466386
Energy: 1.31994229453914
Energy: 1.228900397262083
Energy: 1.246199038802321
Energy: 1.2881635642975608
Energy: 1.246199038802321
Energy: 1.4236058781138388
Energy: 1.2351741261386513
Energy: 1.212908363679391
Energy: 1.2351741261379654
Energy: 1.2112587441435134
Energy: 1.262672633107171
Energy: 1.3689211898994713
Energy: 1.262672633109914
Energy: 1.253648108377443
Energy: 1.2257293873564576
Energy: 1.2307425636505052
Energy: 1.2257293873550859
Energy: 1.2185549069166584
Energy: 1.3271975492290475
Energy: 1.4141063678398542
Energy: 1.3271975492283614
Energy: 1.245103318341202
Energy: 1.2631723073235526
Energy: 1.2123859647133495
Energy: 1.2631723073242387
Energy: 1.2094232509882246
Energy: 1.348212294227228
Energy: 1.2405867993955968
Energy: 1.348212294227914
Energy: 1.4150346224647359
Energy: 1.3016084660295426
Energy: 1.2190501086073107
Energy: 1.3016084660274851
Energy: 1.2785740872551588
Energy: 1.4444096609414554
Energy: 1.2017834750400291
Energy: 1.4444096609407695
Energy: 1.2612895329228846
Energy: 1.3441359838906737
Energy: 1.2117667991846228
Energy: 1.3441359838879308
Energy: 1.209413916819514
Energy: 1.2984197057732088
Energy: 1.2717100743641832
Energy: 1.2984197057732088
Energy: 1.2137666594068324
Energy: 1.3439452229583486
Energy: 1.2198205436001741
Energy: 1.3439452229576625
Energy: 1.201664533095449
Energy: 1.2810651182430468
Energy: 1.2135364427731896
Energy: 1.2810651182437327
Energy: 1.2192740338002015
Energy: 1.3113258919438147
Energy: 1.4412110925265242
Energy: 1.3113258919417574
Energy: 1.2831938359330106
Energy: 1.463676728914155
Energy: 1.2317421497066092
Energy: 1.4636767289134693
Energy: 1.2177825067295092
Energy: 1.2643265949987301
Energy: 1.2562289964716045
Energy: 1.2643265949994158
Energy: 1.2586527930530733
Energy: 1.3266001176154367
Energy: 1.2236564514054087
Energy: 1.3266001176140652
Energy: 1.2309406171983306
Energy: 1.2271893314500988
Energy: 1.2098676017736685
Energy: 1.2271893314494131
Energy: 1.238314503943505
Energy: 1.348792458284437
Energy: 1.2117421375933395
Energy: 1.3487924582864943

minimum gb energy = 1.201664533095449 eV
minimum distance =  2.22336808485484 Angstroms
sigma value = 89


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

Energy: 1.1170714664165966
Energy: 1.1170025640643877
Energy: 1.5089469919999825
Energy: 1.1170025640643877
Energy: 1.1325361087154526
Energy: 1.156654853781718
Energy: 1.1351106833080988
Energy: 1.1566548537799237
Energy: 1.132538405309174
Energy: 1.3329143575345943
Energy: 1.85043132835578
Energy: 1.3329143575345943
Energy: 1.1136962092471363
Energy: 1.1565895030348063
Energy: 1.135349474090275
Energy: 1.156589503033012
Energy: 1.1354851354777438
Energy: 1.239133559246816
Energy: 1.1408714804051896
Energy: 1.2391335592486104
Energy: 1.1177841701309856
Energy: 1.1183482651699548
Energy: 1.120628729821266
Energy: 1.1183482651699548
Energy: 1.132579372288934
Energy: 1.3329666768373607
Energy: 1.1340845729681914
Energy: 1.3329666768373607
Energy: 1.1353833140635603
Energy: 1.33270983059005
Energy: 1.1353007775814334
Energy: 1.3327098305918443
Energy: 1.1338411470075225
Energy: 1.2390836032675594
Energy: 1.116087265390099
Energy: 1.2390836032693537
Energy: 1.1567921298508836
Energy: 1.118398328914141
Energy: 1.1205039472147056
Energy: 1.1183983289105524
Energy: 1.1165979144655755
Energy: 1.1578960227624453
Energy: 1.1320114411520932
Energy: 1.1578960227642396
Energy: 1.116917538679547
Energy: 1.3337519770820156
Energy: 1.1354652580049
Energy: 1.3337519770820156
Energy: 1.1187616893773795
Energy: 1.120692661498618
Energy: 1.1314772057818023
Energy: 1.120692661498618
Energy: 1.1199921174274692
Energy: 1.23556330657383
Energy: 1.1204809141891965
Energy: 1.23556330657383
Energy: 1.1159460674329738
Energy: 1.120563452284337
Energy: 1.118754064965883
Energy: 1.120563452284337

minimum gb energy = 1.1136962092471363 eV
minimum distance =  2.24579765262519 Angstroms
sigma value = 13


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

Energy: 1.1182907202943417
Energy: 1.0748936045097253
Energy: 1.6682869718015993
Energy: 1.074893604515742
Energy: 1.1586245556241128
Energy: 1.1028302628636515
Energy: 1.0687644480298593
Energy: 1.1028302628546265
Energy: 1.076436754972103
Energy: 1.0754156403787378
Energy: 1.2901474723912796
Energy: 1.0754156403764814
Energy: 1.0798115694399015
Energy: 1.1033444756230497
Energy: 1.062442026294517
Energy: 1.1033444756222974
Energy: 1.0897544486904995
Energy: 1.1663536388741609
Energy: 1.0829192946024664
Energy: 1.1663536388621272
Energy: 1.0623792007914972
Energy: 1.1042533719891732
Energy: 1.0911848518083176
Energy: 1.1042533719966938
Energy: 1.0826854200035179
Energy: 1.167335502537926
Energy: 1.2598604767244326
Energy: 1.1673355025326613
Energy: 1.0536358187946258
Energy: 1.1033329947237331
Energy: 1.0910935971574076
Energy: 1.1033329947342623
Energy: 1.0830531093802682
Energy: 1.1674290872215813
Energy: 1.450599624814597
Energy: 1.1674290872245896
Energy: 1.2873455884729261
Energy: 1.1900938531246086
Energy: 1.0627463446497925
Energy: 1.1900938531223522
Energy: 1.0829068175686851
Energy: 1.1920776973801432
Energy: 1.0717141510858303
Energy: 1.1920776973808953
Energy: 1.099651815602255
Energy: 1.1903282458008764
Energy: 1.0618805014616228
Energy: 1.1903282458016284
Energy: 1.131039089706018
Energy: 1.095728856573312
Energy: 1.0714113982636224
Energy: 1.0957288565763204
Energy: 1.4850751910516047
Energy: 1.1907265636668074
Energy: 1.0619282440188278
Energy: 1.1907265636637991
Energy: 1.0826295902178389
Energy: 1.0750047947153112
Energy: 1.0714831592183789
Energy: 1.0750047947265926
Energy: 1.0951054934762652
Energy: 1.191086250120303
Energy: 1.0687385351576597
Energy: 1.1910862501075175
Energy: 1.0951008143418532
Energy: 1.159517905745243
Energy: 1.0648499471467725
Energy: 1.159517905737722
Energy: 1.0857436761628971
Energy: 1.163419199556176
Energy: 1.087370476723549
Energy: 1.163419199556176
Energy: 1.0950854475472431
Energy: 1.0961411359554192
Energy: 1.104033069199464
Energy: 1.0961411359471465
Energy: 1.095133626419554
Energy: 1.0964220631152535
Energy: 1.0874726780235424
Energy: 1.0964220631047241
Energy: 1.0858297786224556
Energy: 1.1635448339474868
Energy: 1.0872244095721175
Energy: 1.163544833942222
Energy: 1.094929216714684
Energy: 1.159451979163306
Energy: 1.0655000064786828
Energy: 1.159451979172331
Energy: 1.0951261767740876
Energy: 1.1911157656194742
Energy: 1.0679640416628016
Energy: 1.1911157656157136
Energy: 1.0826332942681778
Energy: 1.0750071704620645
Energy: 1.071582918370955
Energy: 1.0750071704725939
Energy: 1.4848810741283835
Energy: 1.1906693075836845
Energy: 1.0619635234412004
Energy: 1.1906693075776678
Energy: 1.1300197605788787
Energy: 1.0955896980700874
Energy: 1.07167430836196
Energy: 1.0955896980761042
Energy: 1.0991571013983026
Energy: 1.1903187827731863
Energy: 1.0618080509064176
Energy: 1.190318782777699
Energy: 1.0894859397567003
Energy: 1.1920314835426553
Energy: 1.0717976096315733
Energy: 1.192031483538895
Energy: 1.2877258723839498
Energy: 1.1900610290963387
Energy: 1.0627294561334149
Energy: 1.190061029088066
Energy: 1.082984614655002
Energy: 1.167413217441271
Energy: 1.4510193037078833
Energy: 1.1674132174465355
Energy: 1.0537145892203135
Energy: 1.1032933302949741
Energy: 1.0910745711589014
Energy: 1.1032933302942223
Energy: 1.0829410648362137
Energy: 1.1674148813726133
Energy: 1.259311846243842
Energy: 1.1674148813696053
Energy: 1.0625207268022427
Energy: 1.1042325729013742
Energy: 1.0909957703527229
Energy: 1.1042325729013742
Energy: 1.0827243996918725
Energy: 1.1664011359597113
Energy: 1.082713752418524
Energy: 1.166401135955199
Energy: 1.0797426628209732
Energy: 1.1033055818809652
Energy: 1.0625136615984998
Energy: 1.1033055818847257

minimum gb energy = 1.0536358187946258 eV
minimum distance =  2.25986658099839 Angstroms
sigma value = 37


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

Energy: 1.2071544837608759
Energy: 1.0586755153977572
Energy: 1.6321864699235544
Energy: 1.0586755153977572
Energy: 1.180250722029466
Energy: 1.0244987645472525
Energy: 0.9871544750625508
Energy: 1.024498764548517
Energy: 1.149186521528185
Energy: 1.170022514217615
Energy: 1.3820112932676647
Energy: 1.1700225142150273
Energy: 1.1375899881465643
Energy: 1.0246417604397984
Energy: 0.9945117054629304
Energy: 1.0246417604397984
Energy: 0.9930438153473935
Energy: 1.0243207658037372
Energy: 1.157562846604934
Energy: 1.0243207658037372
Energy: 0.9979457454093119
Energy: 1.0243744404797894
Energy: 1.15205826086018
Energy: 1.0243744404823774
Energy: 0.9811094016716034
Energy: 1.0897663555778863
Energy: 1.465634084725449
Energy: 1.0897663555804742
Energy: 0.9699107654352545
Energy: 1.0255767907116737
Energy: 1.028587653022658
Energy: 1.0255767907142617
Energy: 0.9879118711237495
Energy: 1.0245713354325343
Energy: 1.4803224712287841
Energy: 1.0245713354325343
Energy: 1.3861342874416656
Energy: 1.1524543377941208
Energy: 1.1520733688063953
Energy: 1.152454337792827
Energy: 0.9925975431177619
Energy: 1.1164599469366792
Energy: 1.136850473067353
Energy: 1.1164599469405612
Energy: 1.3806432071447288
Energy: 1.0246554119295423
Energy: 0.9945429457356767
Energy: 1.0246554119282487
Energy: 1.1560217319076023
Energy: 1.0242740554006966
Energy: 1.0131387444887743
Energy: 1.0242740554032843
Energy: 1.4853200894204035
Energy: 1.1991423111832171
Energy: 0.9701646345939796
Energy: 1.199142311181923
Energy: 1.2065644015124473
Energy: 1.0773533196960432
Energy: 0.97222149684965
Energy: 1.0773533196973373
Energy: 1.2069664311193566
Energy: 1.0248382749267857
Energy: 0.986780351880377
Energy: 1.0248382749254918
Energy: 1.1559669302203244
Energy: 1.1535567421364852
Energy: 0.9694632462251183
Energy: 1.1535567421377793
Energy: 1.1585657530291238
Energy: 1.118020442703808
Energy: 0.9939332077070787
Energy: 1.1180204427012497
Energy: 0.9926616880277056
Energy: 1.0264525879372914
Energy: 0.988763974292564
Energy: 1.0264525879372914
Energy: 0.9885373195451557
Energy: 1.0255161945030729
Energy: 1.1559364629280549
Energy: 1.0255161945056608

minimum gb energy = 0.9694632462251183 eV
minimum distance =  2.26273216896001 Angstroms
sigma value = 25


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

Energy: 0.9544394443260058
Energy: 0.899193367122106
Energy: 1.5676613336744207
Energy: 0.899193367122106
Energy: 1.1688002435851184
Energy: 0.9219008410329931
Energy: 0.9037395496581145
Energy: 0.9219008410329931
Energy: 0.8951378996531295
Energy: 0.8947452984304259
Energy: 1.2228861731506124
Energy: 0.8947452984304259
Energy: 0.9049424967420276
Energy: 0.9230731487576215
Energy: 0.9034082691266987
Energy: 0.9230731487586318
Energy: 0.9023184295446907
Energy: 0.9222273421111608
Energy: 0.9044102652889101
Energy: 0.9222273421111608
Energy: 0.8690964498788982
Energy: 0.9230920834622772
Energy: 0.9003971010103615
Energy: 0.923092083464298
Energy: 0.902783977040274
Energy: 0.8950851776932468
Energy: 0.9066057017603169
Energy: 0.8950851776942572
Energy: 0.8686648102426162
Energy: 0.9539151635334475
Energy: 0.8968917578442119
Energy: 0.9539151635314267
Energy: 0.9021710835015235
Energy: 0.9219579550852868
Energy: 1.296861274252475
Energy: 0.9219579550852868
Energy: 0.8695454922974223
Energy: 0.899775565543762
Energy: 0.9562249125666886
Energy: 0.8997755655427515
Energy: 0.902828113824208
Energy: 0.8952066858263501
Energy: 1.398878813077843
Energy: 0.8952066858263501
Energy: 1.196492919043834
Energy: 1.0657935001135892
Energy: 0.8969616300216714
Energy: 1.0657935001135892
Energy: 0.9022232227496924
Energy: 0.9226506836409577
Energy: 1.3839526194317133
Energy: 0.9226506836389369
Energy: 1.1935592998749984
Energy: 1.0012916945305388
Energy: 0.9003678736804123
Energy: 1.0012916945275077
Energy: 0.9033207793882037
Energy: 0.894972583802845
Energy: 0.8688304117033085
Energy: 0.8949725838048658
Energy: 1.1910122533475043
Energy: 1.0646227810140874
Energy: 0.9006157831500207
Energy: 1.0646227810131228
Energy: 0.9022402351873556
Energy: 0.9533522040546312
Energy: 0.8763216559600813
Energy: 0.9533522040556417
Energy: 1.1740095228408518
Energy: 0.9217939346606455
Energy: 0.900334599497046
Energy: 0.9217939346606455
Energy: 0.9614290215930189
Energy: 0.8948550296384382
Energy: 0.8688267557728294
Energy: 0.8948550296374278
Energy: 1.403179388990211
Energy: 1.0594534396694633
Energy: 0.9009166567564917
Energy: 1.0594534396694633
Energy: 0.902321974173065
Energy: 1.0567698403796735
Energy: 0.8697498051511274
Energy: 1.0567698403776986
Energy: 0.8951257401594578
Energy: 0.9221475207941373
Energy: 0.9003423061278364
Energy: 0.9221475207951477
Energy: 0.9036360031919748
Energy: 0.9981759519904528
Energy: 1.1931961470312262
Energy: 0.9981759519894424
Energy: 0.8745242002423165
Energy: 1.0600460856219667
Energy: 0.900742765713602
Energy: 1.060046085622977
Energy: 0.900943935539677
Energy: 1.0579012677707376
Energy: 1.1908850013767112
Energy: 1.0579012677727584
Energy: 0.8684119928532981
Energy: 0.953598757792678
Energy: 0.8945772831656544
Energy: 0.9535987577936884

minimum gb energy = 0.8684119928532981 eV
minimum distance =  2.27118165872047 Angstroms
sigma value = 41


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

Energy: 1.2492076319655416
Energy: 0.8419627879666948
Energy: 1.515525215905725
Energy: 0.8419627879675232
Energy: 1.267338068662994
Energy: 0.8214472279518867
Energy: 0.8110809218332844
Energy: 0.8214472279518867
Energy: 0.8396755703445709
Energy: 0.8082852696522079
Energy: 0.7960061136111436
Energy: 0.8082852696513795
Energy: 1.046085462150768
Energy: 0.8225217991509199
Energy: 0.8111683947568893
Energy: 0.8225217991517483
Energy: 0.8056640467651668
Energy: 0.8649057444411258
Energy: 0.8259666116965961
Energy: 0.8649057444229019
Energy: 0.826308722597063
Energy: 0.8225255489666832
Energy: 0.8112433673925599
Energy: 0.8225255489675115
Energy: 0.8100508519838995
Energy: 0.8218593271648043
Energy: 0.8265900417048027
Energy: 0.8218593271614908
Energy: 0.7919974922264096
Energy: 0.8406102176003933
Energy: 0.8068440373334349
Energy: 0.8406102175954232
Energy: 0.8142639747575897
Energy: 0.8422854761136427
Energy: 1.1543331916978878
Energy: 0.8422854761128143
Energy: 0.7930744276055424
Energy: 0.8088033435310469
Energy: 0.8408841835622431
Energy: 0.8088033435293901
Energy: 0.8102437978055392
Energy: 0.8217669630954606
Energy: 1.4218117219531188
Energy: 0.8217669630904905
Energy: 0.7919536886398157
Energy: 0.8423028972539682
Energy: 1.2496804750749202
Energy: 0.8423028972547966
Energy: 0.8144125508194572
Energy: 0.8442122130552439
Energy: 1.516231570068681
Energy: 0.8442122130527587
Energy: 1.0586511488303412
Energy: 0.9275928584250968
Energy: 0.8407762943277475
Energy: 0.9275928584259251
Energy: 0.8102381791668245
Energy: 0.8218398099240194
Energy: 1.233420857172866
Energy: 0.8218398099240194
Energy: 1.0619997365742917
Energy: 0.843486215295043
Energy: 0.8069413650829389
Energy: 0.8434862152942147
Energy: 0.8143384397301001
Energy: 0.8408429345550564
Energy: 1.123944462651245
Energy: 0.8408429345567132
Energy: 1.0593323597011222
Energy: 0.9270688320825534
Energy: 0.8110969038005615
Energy: 0.9270688320808967
Energy: 0.8102943947718932
Energy: 0.8406602328033428
Energy: 0.7920282907986642
Energy: 0.8406602328033428
Energy: 1.0718918348540283
Energy: 0.8434162279939423
Energy: 0.8139886408075673
Energy: 0.8434162279972557
Energy: 0.8440629318470161
Energy: 0.8409514029157656
Energy: 0.7968069890706284
Energy: 0.8409514029149372
Energy: 1.425969699982391
Energy: 0.949498010831752
Energy: 0.8111773797284199
Energy: 0.949498010831752
Energy: 1.251577422427398
Energy: 0.8398072143136573
Energy: 0.7920666108489586
Energy: 0.839807214312829
Energy: 1.2700128877586352
Energy: 0.843128918737402
Energy: 0.8139883953117545
Energy: 0.8431289187332602
Energy: 0.8443427096135289
Energy: 0.9298539738598659
Energy: 0.7934580667085731
Energy: 0.9298539738615228
Energy: 1.2462416119921835
Energy: 0.8650660421017329
Energy: 0.8114233870949423
Energy: 0.865066042097591
Energy: 0.8103673201030427
Energy: 0.841062869775458
Energy: 1.0619364375785159
Energy: 0.8410628697746295
Energy: 0.8117986832758648
Energy: 0.8407500481447253
Energy: 0.8139473150241634
Energy: 0.8407500481438969
Energy: 0.8140594997539466
Energy: 0.9296801816481167
Energy: 1.0630904065535491
Energy: 0.9296801816481167
Energy: 0.7927278088394871
Energy: 1.1663639573273787
Energy: 0.8154097159243483
Energy: 1.1663639573298636
Energy: 0.817752988556105
Energy: 0.8406557418460489
Energy: 1.0719435495956948
Energy: 0.8406557418452204
Energy: 0.7915591064385255
Energy: 0.8410038743999575
Energy: 0.849175177994165
Energy: 0.8410038743395627

minimum gb energy = 0.7915591064385255 eV
minimum distance =  2.25695030985087 Angstroms
sigma value = 15


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

Energy: 1.1345779715429398
Energy: 0.766817953232878
Energy: 1.1264943065781023
Energy: 0.7668179532342815
Energy: 1.2969299125068126
Energy: 0.7633793662717887
Energy: 0.7639786553600754
Energy: 0.7633793662717887
Energy: 0.7929043540843403
Energy: 0.7620173792933629
Energy: 1.460491529065041
Energy: 0.7620173792926612
Energy: 1.1403113672246024
Energy: 0.7638536389654916
Energy: 0.7639226434795339
Energy: 0.7638536389647899
Energy: 0.7604454913111871
Energy: 0.8437743535624735
Energy: 0.7642781178443491
Energy: 0.8437743535624735
Energy: 1.109804398438467
Energy: 0.7631055536226896
Energy: 0.7639046499928145
Energy: 0.7631055536254965
Energy: 0.7632521848600633
Energy: 0.7783525392242722
Energy: 0.7633798771098512
Energy: 0.778352539227079
Energy: 0.9217509968140691
Energy: 0.7771644231351061
Energy: 0.7638908214055123
Energy: 0.7771644231315975
Energy: 0.7660816243758466
Energy: 0.7789355055697722
Energy: 1.0439635089704302
Energy: 0.7789355055690704
Energy: 0.7313835818725769
Energy: 0.761850606901905
Energy: 0.7611468990508437
Energy: 0.7618506069026068
Energy: 0.7632292506258919
Energy: 0.7636775613509831
Energy: 1.1405807774839618
Energy: 0.7636775613453692
Energy: 0.7335085004172116
Energy: 0.7623526884258838
Energy: 0.7936065105458641
Energy: 0.7623526884230768
Energy: 0.7659826865728592
Energy: 0.7792182550068909
Energy: 1.513786717013725
Energy: 0.7792182550047857
Energy: 0.7312074761295676
Energy: 0.7666651069042746
Energy: 1.1350791867301948
Energy: 0.7666651069000641
Energy: 0.7632837819936672
Energy: 0.7636041800471566
Energy: 1.4423070043993451
Energy: 0.7636041800471566
Energy: 0.9551524877411708
Energy: 0.7623237683889819
Energy: 0.7937003685532387
Energy: 0.7623237683896835
Energy: 0.7660446294349443
Energy: 0.7781854239626522
Energy: 1.3604485774169093
Energy: 0.7781854239640557
Energy: 0.9615689285985242
Energy: 0.8425687870880968
Energy: 0.7611543829433518
Energy: 0.8425687870887985
Energy: 0.7634083285154765
Energy: 0.7618718669762216
Energy: 1.1095884148831132
Energy: 0.7618718669769234
Energy: 0.9750437047335265
Energy: 0.7629319264874451
Energy: 0.7638245120238639
Energy: 0.7629319264881468
Energy: 0.7657440594976926
Energy: 0.7945450766514344
Energy: 1.0169915872729578
Energy: 0.7945450766472238
Energy: 0.9696850259909435
Energy: 0.7768728685910522
Energy: 0.7693773127702421
Energy: 0.7768728685903504
Energy: 0.7632255013869135
Energy: 0.7615461219785126
Energy: 0.7316065677920259
Energy: 0.7615461219771091
Energy: 1.3332935225290454
Energy: 0.7634038250891307
Energy: 0.7638779039478073
Energy: 0.7634038250926394
Energy: 0.7958564879490865
Energy: 0.7936150838825796
Energy: 0.7328476312118789
Energy: 0.7936150838811761
Energy: 1.3006561933760736
Energy: 0.7769120092592751
Energy: 0.7692383112809478
Energy: 0.7769120092585734
Energy: 1.137038473067088
Energy: 0.7614634768461945
Energy: 0.7314812654429567
Energy: 0.7614634768265458
Energy: 1.4419770883255412
Energy: 0.7641121484036162
Energy: 0.7639949672546661
Energy: 0.7641121484071248
Energy: 0.7956410589312367
Energy: 0.8742471889632897
Energy: 0.7336345932967947
Energy: 0.8742471889660965
Energy: 1.1395638962975814
Energy: 0.7776912703923313
Energy: 0.7694140949945159
Energy: 0.7776912703937349
Energy: 0.7632620675283964
Energy: 0.8353763982222262
Energy: 0.9612755387459908
Energy: 0.8353763982215244
Energy: 1.1234730189722217
Energy: 0.7612053332820845
Energy: 0.763918410180089
Energy: 0.7612053332764707
Energy: 0.7660484686826885
Energy: 0.8674718941315279
Energy: 0.963352710481266
Energy: 0.8674718941322296
Energy: 0.7431406774320304
Energy: 0.7937037311370019
Energy: 0.7695652760447503
Energy: 0.7937037311377036
Energy: 0.7567319992836647
Energy: 0.835105612332665
Energy: 0.9700980947693779
Energy: 0.835105612327051
Energy: 0.7323668291051781
Energy: 0.7612111663343079
Energy: 0.7668925047127958
Energy: 0.7612111663378166
Energy: 0.7661574028198799
Energy: 0.8746331908828093
Energy: 1.3325136539865288
Energy: 0.8746331908715815

minimum gb energy = 0.7312074761295676 eV
minimum distance =  2.26416199594261 Angstroms
sigma value = 85


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

Energy: 1.0662836686831987
Energy: 0.7463909639188645
Energy: 1.4203098550830957
Energy: 0.7463909639194731
Energy: 1.324698058732705
Energy: 0.7407383560263667
Energy: 0.7013182304112624
Energy: 0.7407383560263667
Energy: 1.022866066145073
Energy: 0.740517485354316
Energy: 0.6608862337840085
Energy: 0.7405174853530988
Energy: 1.1869245853371677
Energy: 0.7408130978714145
Energy: 0.7011589211376799
Energy: 0.7408130978714145
Energy: 0.7388645144550329
Energy: 0.6991656836655649
Energy: 0.715292957052374
Energy: 0.6991656836649562
Energy: 1.1351384752835
Energy: 0.7414036290664588
Energy: 0.7013439329069513
Energy: 0.7414036290658501
Energy: 0.6976332566294866
Energy: 0.7657885074463462
Energy: 0.7153002825903513
Energy: 0.7657885074469548
Energy: 0.9929085839932402
Energy: 0.739370971281421
Energy: 0.701183707765425
Energy: 0.739370971281421
Energy: 0.7005532322279018
Energy: 0.7183211874263669
Energy: 0.9583105112487849
Energy: 0.7183211874233237
Energy: 0.825463334966813
Energy: 0.7650789129493204
Energy: 0.6984186135602642
Energy: 0.7650789129505376
Energy: 0.7031317894116285
Energy: 0.7406071132193415
Energy: 1.0467017185593417
Energy: 0.7406071132193415
Energy: 0.6590597052554192
Energy: 0.7393520933763255
Energy: 0.739584366522877
Energy: 0.7393520933769341
Energy: 0.7004413082828187
Energy: 0.7172235002713427
Energy: 1.2456197148759949
Energy: 0.7172235002713427
Energy: 0.6635886740875537
Energy: 0.7407350956601048
Energy: 1.0235015234477267
Energy: 0.7407350956619306
Energy: 0.7015007433739188
Energy: 0.7406061283849824
Energy: 1.4177181399889496
Energy: 0.7406061283861997
Energy: 0.6590831762354932
Energy: 0.7464407041769836
Energy: 1.0667017481961487
Energy: 0.7464407041769836
Energy: 0.7006149010658205
Energy: 0.7171723637420264
Energy: 1.4811471633240896
Energy: 0.7171723637414177
Energy: 0.7887673594329607
Energy: 0.7408109400788857
Energy: 1.0237125258723765
Energy: 0.7408109400788857
Energy: 0.7016535989091431
Energy: 0.7407819278898031
Energy: 1.2769862492596056
Energy: 0.7407819278898031
Energy: 0.8591266934148319
Energy: 0.7461326377242983
Energy: 0.7396383124318004
Energy: 0.7461326377236895
Energy: 0.7006105994806326
Energy: 0.7170334311061185
Energy: 1.2015231702423812
Energy: 0.7170334311055099
Energy: 0.8582025398385219
Energy: 0.7410035673851462
Energy: 0.6985145507859822
Energy: 0.7410035673851462
Energy: 0.70147194303966
Energy: 0.7390531259687187
Energy: 0.9923994761318872
Energy: 0.739053125969936
Energy: 0.8702989031830792
Energy: 0.768685748633457
Energy: 0.7014557153865162
Energy: 0.7686857486340656
Energy: 0.700669231577399
Energy: 0.73901987518873
Energy: 0.9078805209542411
Energy: 0.7390198751881214
Energy: 1.1861980651006143
Energy: 0.7408950213382437
Energy: 0.702049861802957
Energy: 0.7408950213345921
Energy: 0.7417056316961662
Energy: 0.7391559307361004
Energy: 0.6590505859426603
Energy: 0.7391559307361004
Energy: 1.1993334648351384
Energy: 0.7687443675540332
Energy: 0.7012489009335201
Energy: 0.7687443675552504
Energy: 1.025292109692756
Energy: 0.7412583770400226
Energy: 0.6635043607897638
Energy: 0.741258377039414
Energy: 1.4178425708523243
Energy: 0.74095834824435
Energy: 0.7016397474047605
Energy: 0.74095834824435
Energy: 1.0684369310456237
Energy: 0.7388947675685775
Energy: 0.6590964149677647
Energy: 0.7388947675679688
Energy: 1.3028434708158811
Energy: 0.7649742887097039
Energy: 0.7014460215751659
Energy: 0.7649742887078779
Energy: 1.025368844265899
Energy: 0.741231918423285
Energy: 0.6607056888694071
Energy: 0.7412319184220677
Energy: 1.2771811582937902
Energy: 0.7408888294899941
Energy: 0.7017050213034705
Energy: 0.7408888294936459
Energy: 0.7417267741537209
Energy: 0.7390093463397811
Energy: 0.8590633441027262
Energy: 0.7390093463409984
Energy: 1.010589530972547
Energy: 0.7648763684262002
Energy: 0.7012241053770926
Energy: 0.7648763684262002
Energy: 0.7007104475907939
Energy: 0.7413600140779428
Energy: 0.858275094767076
Energy: 0.7413600140791601
Energy: 0.9923701509309474
Energy: 0.7390936458221399
Energy: 0.7022202832846525
Energy: 0.7390936458221399
Energy: 0.7014285509048597
Energy: 0.7389043996528687
Energy: 0.8708685909708714
Energy: 0.7389043996528687
Energy: 0.6709297106056943
Energy: 0.7922909941720707
Energy: 0.7010309652226419
Energy: 0.792290994173288
Energy: 0.7002688540079625
Energy: 0.739028189205352
Energy: 1.18588914175369
Energy: 0.7390281892059606
Energy: 0.6590803563966159
Energy: 0.7389908964854569
Energy: 0.7390230383746871
Energy: 0.7389908964860656
Energy: 0.7034634826832726
Energy: 0.7390833620461436
Energy: 1.1996529797533242
Energy: 0.7390833620497952

minimum gb energy = 0.6590505859426603 eV
minimum distance =  2.27495514113099 Angstroms
sigma value = 113


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

Energy: 0.020726126175503363
Energy: 0.022231128162840744
Energy: 1.3167441949831564
Energy: 0.02223112816237287
Energy: 0.9196587100765279
Energy: 0.42789803342386484
Energy: 0.4285990096142634
Energy: 0.42789803342386484
Energy: 0.020726126175503363
Energy: 0.022231128161905
Energy: 1.3167441949786338
Energy: 0.022231128161905
Energy: 0.9196587100774116
Energy: 0.4278980334233969
Energy: 0.4285990096142634
Energy: 0.4278980334233969
Energy: 0.020726126175503363
Energy: 0.02223112816237287
Energy: 1.3167441949845602
Energy: 0.02223112816237287
Energy: 0.91965871007606
Energy: 0.42789803342386484
Energy: 0.4285990096129117
Energy: 0.42789803342386484

minimum gb energy = 0.020726126175503363 eV
minimum distance =  2.4811082314743 Angstroms
sigma value = 1