Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_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=3.5200000256299973
cohesive_energy=4.4503499779377105
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: 0.018146659057099616
Energy: 0.01850186009439943
Energy: 1.0427000524182022
Energy: 0.018501860093737908
Energy: 0.01850186009439943
Energy: 0.9508167097987227
Energy: 0.01850186009439943
Energy: 0.9508167097980612
Energy: 1.0427000524175407
Energy: 0.018501860093737908
Energy: 0.018146659057099616
Energy: 0.018501860093737908
Energy: 0.018501860093737908
Energy: 0.9508167097980612
Energy: 0.01850186009439943
Energy: 0.9508167097987227

minimum gb energy = 0.018146659057099616 eV
minimum distance =  2.43313590824236 Angstroms
sigma value = 1


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

Energy: 1.234131592686712
Energy: 1.3283087532145443
Energy: 1.270533509647318
Energy: 1.328308753213742
Energy: 1.2357629775273318
Energy: 1.2834140159468241
Energy: 1.2314069318932426
Energy: 1.283414015946022
Energy: 1.1658532034936515
Energy: 1.3112758306647883
Energy: 1.2174128509286677
Energy: 1.3112758306647883
Energy: 1.2062712039271974
Energy: 1.258790660022129
Energy: 1.180772131401944
Energy: 1.2587906600694643
Energy: 1.2040868421593327
Energy: 1.3300029676243306
Energy: 1.2220711008472203
Energy: 1.3300029676251328
Energy: 1.180149372270468
Energy: 1.453436289254989
Energy: 1.1231666916586267
Energy: 1.4534362892557913
Energy: 1.2519287768766476
Energy: 1.3160942285158785
Energy: 1.1821574163582351
Energy: 1.3160942285166808
Energy: 1.141285776573231
Energy: 1.3295736314131874
Energy: 1.1181312167752069
Energy: 1.3295736314131874
Energy: 1.1826488401029864
Energy: 1.2044108599265224
Energy: 1.2616787371992142
Energy: 1.2044108599265224
Energy: 1.122744873546306
Energy: 1.3111871883695714
Energy: 1.1329273386428922
Energy: 1.3111871883695714
Energy: 1.2397959647670393
Energy: 1.2826718770601027
Energy: 1.1823524330030133
Energy: 1.2826718770601027
Energy: 1.2194601595068766
Energy: 1.3289890738374512
Energy: 1.1397225899911634
Energy: 1.3289890738374512
Energy: 1.2220073156581461
Energy: 1.3148931216639375
Energy: 1.2513994136822897
Energy: 1.3148931216639375
Energy: 1.217116092114339
Energy: 1.2759491414484412
Energy: 1.1622866593422236
Energy: 1.2759491414508475
Energy: 1.2343294086076404
Energy: 1.3288257163842567
Energy: 1.2001143230950664
Energy: 1.3288257163834545
Energy: 1.221366774117962
Energy: 1.3293513543159203
Energy: 1.2348889603293385
Energy: 1.3293513543159203
Energy: 1.217015742765173
Energy: 1.3109594118714825
Energy: 1.1578978650725353
Energy: 1.3109594118706802
Energy: 1.232052472578259
Energy: 1.2733916293559757
Energy: 1.252957488177313
Energy: 1.2733916293575802
Energy: 1.1815094024647195
Energy: 1.3301695914062504
Energy: 1.1381588531933973
Energy: 1.330169591405448
Energy: 1.2649691943284194
Energy: 1.210951338659041
Energy: 1.1867071153271118
Energy: 1.210951338659041
Energy: 1.1262623723704077
Energy: 1.3119623172113108
Energy: 1.1266295999341844
Energy: 1.3119623172097061
Energy: 1.1811419078883598
Energy: 1.2120604682682203
Energy: 1.3309856662385917
Energy: 1.2120604682722318
Energy: 1.3168288024411325
Energy: 1.3299790863112033
Energy: 1.1665067037479817
Energy: 1.3299790863112033
Energy: 1.2738422724868237
Energy: 1.3121877304679974
Energy: 1.180294497960126
Energy: 1.3121877304679974
Energy: 1.1822478141361155
Energy: 1.4515353260980615
Energy: 1.3364318101276178
Energy: 1.4515353260972592
Energy: 1.2079224534454738
Energy: 1.3295682937627076
Energy: 1.1897656031950612
Energy: 1.3295682937627076
Energy: 1.2255412615118662
Energy: 1.3760842067719412
Energy: 1.1821953547396271
Energy: 1.3760842067719412
Energy: 1.314552186031969
Energy: 1.3103146843937357
Energy: 1.2096155683370167
Energy: 1.310314684394538
Energy: 1.2343314324419838
Energy: 1.2765648428392768
Energy: 1.2198508555854353
Energy: 1.2765648428384742
Energy: 1.2350782075591937
Energy: 1.3293323411138136
Energy: 1.2247037661735864
Energy: 1.3293323411138136
Energy: 1.2128566191598247
Energy: 1.2766251920564138
Energy: 1.2215589624325534
Energy: 1.2766251920564138
Energy: 1.1922421084972943
Energy: 1.3100637961901356
Energy: 1.2168597397469947
Energy: 1.3100637961909378
Energy: 1.204005706135996
Energy: 1.3024169899102167
Energy: 1.1751091482655482
Energy: 1.3024169899110192

minimum gb energy = 1.1181312167752069 eV
minimum distance =  2.23511894266086 Angstroms
sigma value = 1


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

Energy: 1.2927793863518482
Energy: 1.2962726911414357
Energy: 1.276693051787551
Energy: 1.2962726911441798
Energy: 1.2627152612034436
Energy: 1.3445580296801953
Energy: 1.2717476645328425
Energy: 1.3445580296792807
Energy: 1.23583082680255
Energy: 1.2975082373046343
Energy: 1.2622038763124985
Energy: 1.297508237305549
Energy: 1.1709577694183229
Energy: 1.2125376795046747
Energy: 1.221799943212457
Energy: 1.2125376794991864
Energy: 1.1708176504050494
Energy: 1.276536469721797
Energy: 1.362808458679376
Energy: 1.276536469720009
Energy: 1.2834281297775787
Energy: 1.2769217920349423
Energy: 1.1685719175321203
Energy: 1.2769217920376863
Energy: 1.254911954510642
Energy: 1.2130889492205217
Energy: 1.2132145471356988
Energy: 1.2130889492205217
Energy: 1.1712445426348026
Energy: 1.2979781339733152
Energy: 1.1687139302025253
Energy: 1.2979781339724001
Energy: 1.202065955603175
Energy: 1.2564717851582197
Energy: 1.3073449674796844
Energy: 1.2564717851609637
Energy: 1.1697282448490958
Energy: 1.298825635973752
Energy: 1.2768260235242657
Energy: 1.2988256359719224
Energy: 1.2541169320459185
Energy: 1.266735539879006
Energy: 1.2797144432465712
Energy: 1.2667355398799207
Energy: 1.1877858765792255
Energy: 1.35017244891825
Energy: 1.2795132041919386
Energy: 1.3501724489155058
Energy: 1.285010832179894
Energy: 1.2812108651366305
Energy: 1.2479870790524077
Energy: 1.28121086513846
Energy: 1.2842629734055107
Energy: 1.2803938411174804
Energy: 1.2719657061274066
Energy: 1.2803938411156512
Energy: 1.187867389549794
Energy: 1.3504264210357524
Energy: 1.2646155491209594
Energy: 1.3504264210339232
Energy: 1.254271726524598
Energy: 1.2665636292880627
Energy: 1.2135096520461575
Energy: 1.2665636292880627
Energy: 1.170005823888183
Energy: 1.2970298894513688
Energy: 1.2774375214640088
Energy: 1.297029889454113
Energy: 1.2020389721879217
Energy: 1.2569056994693593
Energy: 1.3072764183072045
Energy: 1.2569056994464902
Energy: 1.1712108256154525
Energy: 1.2999164903388454
Energy: 1.1691133353114558
Energy: 1.2999164903397602
Energy: 1.254914798239077
Energy: 1.2144462083781205
Energy: 1.221768605975545
Energy: 1.2144462083799084
Energy: 1.2836277786521144
Energy: 1.2772099697759147
Energy: 1.2233193266063305
Energy: 1.27720996989292
Energy: 1.1710148104585505
Energy: 1.27736550606051
Energy: 1.2913832695152003
Energy: 1.277365506059595
Energy: 1.1707491351950614
Energy: 1.2126254742795155
Energy: 1.2122654495244773
Energy: 1.2126254742795155
Energy: 1.2358011105919535
Energy: 1.2978652691198493
Energy: 1.2333648422602947
Energy: 1.2978652691180201
Energy: 1.2627650539711073
Energy: 1.345333066164904
Energy: 1.2713700242310362
Energy: 1.3453330661621596
Energy: 1.2927793863518482
Energy: 1.2962726911396059
Energy: 1.388994205459191
Energy: 1.29627269114235
Energy: 1.2627152612016141
Energy: 1.3445580296792807
Energy: 1.2717476645319277
Energy: 1.3445580296792807
Energy: 1.2358308268034648
Energy: 1.297508237305549
Energy: 1.2793248578349719
Energy: 1.2975082373073785
Energy: 1.1709577694192375
Energy: 1.2125376795001008
Energy: 1.2128476963850996
Energy: 1.2125376794955272

minimum gb energy = 1.1685719175321203 eV
minimum distance =  2.24063171508814 Angstroms
sigma value = 25


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

Energy: 1.320953776199388
Energy: 1.3645069487198298
Energy: 1.4689567622278006
Energy: 1.3645069487208934
Energy: 1.3392769006552265
Energy: 1.268769031016898
Energy: 1.2832071875269573
Energy: 1.268769031020088
Energy: 1.2931621291754407
Energy: 1.4892092809133812
Energy: 1.2757752684294246
Energy: 1.4892092809144448
Energy: 1.266575170366714
Energy: 1.2604860914173155
Energy: 1.2783317308975564
Energy: 1.2604860914151887
Energy: 1.2933140577696864
Energy: 1.4437988308163336
Energy: 1.420495745261226
Energy: 1.4437988308163336
Energy: 1.3624797184326345
Energy: 1.421783271653233
Energy: 1.3262707432864675
Energy: 1.4217832716542964
Energy: 1.3203662551633717
Energy: 1.281414221877311
Energy: 1.2831085764205918
Energy: 1.281414221877311
Energy: 1.4081889736789062
Energy: 1.449881456832132
Energy: 1.2404919650327044
Energy: 1.449881456832132
Energy: 1.283133510390363
Energy: 1.3435344424829823
Energy: 1.3194402749595087
Energy: 1.3435344424840454
Energy: 1.2768198539366575
Energy: 1.4217460687913899
Energy: 1.3005679458857455
Energy: 1.4217460687892634
Energy: 1.299340275267458
Energy: 1.4349753718612805
Energy: 1.247950674796799
Energy: 1.4349753718612805
Energy: 1.3155276441116255
Energy: 1.3595430702848648
Energy: 1.2516914476797554
Energy: 1.3595430702838014
Energy: 1.279168763892648
Energy: 1.3722933834106432
Energy: 1.2702152567790133
Energy: 1.3722933834095798
Energy: 1.3229217185918163
Energy: 1.2257785349203982
Energy: 1.3235456500236829
Energy: 1.2257785349182715
Energy: 1.2797652724743611
Energy: 1.4494469774111027
Energy: 1.2403197629952971
Energy: 1.4494469774132297
Energy: 1.2812386906762865
Energy: 1.2567085632458244
Energy: 1.285101965209394
Energy: 1.2567085632458244
Energy: 1.2135694224819362
Energy: 1.490271877291609
Energy: 1.21355043768768
Energy: 1.4902718772937358
Energy: 1.247393656656719
Energy: 1.3243141304006667
Energy: 1.2710805589467113
Energy: 1.32431413040173
Energy: 1.2584297729758338
Energy: 1.3637203343671047
Energy: 1.2486114446633156
Energy: 1.3637203343691833
Energy: 1.37629930778231
Energy: 1.471304744549842
Energy: 1.2788942712310607
Energy: 1.4713047445487784
Energy: 1.274449771849498
Energy: 1.308784850457088
Energy: 1.2848717487218388
Energy: 1.3087848504613417
Energy: 1.3229942146828482
Energy: 1.3655511240737137
Energy: 1.4080422914670754
Energy: 1.3655511240705236
Energy: 1.3400317453899313
Energy: 1.3942140282817723
Energy: 1.281434366567831
Energy: 1.3942140282807094
Energy: 1.4710913219646584
Energy: 1.4874223536186868
Energy: 1.2768805431171282
Energy: 1.4874223536186868
Energy: 1.2505188156105367
Energy: 1.259228039069541
Energy: 1.280285392311665
Energy: 1.259228039069541

minimum gb energy = 1.21355043768768 eV
minimum distance =  2.24317194768041 Angstroms
sigma value = 9


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

Energy: 1.3024185784784617
Energy: 1.3027798841768266
Energy: 1.4231911887465707
Energy: 1.302779884178095
Energy: 1.3181175036243644
Energy: 1.4095126483035023
Energy: 1.3104513935329214
Energy: 1.4095126483035023
Energy: 1.340839861001262
Energy: 1.3140087647687126
Energy: 1.2799925726153627
Energy: 1.3140087647687126
Energy: 1.5272087198935722
Energy: 1.3234706522188016
Energy: 1.2763591722296814
Energy: 1.3234706522200703
Energy: 1.4399129167095717
Energy: 1.4060820999162291
Energy: 1.302064965165909
Energy: 1.4060820999162291
Energy: 1.228990162273549
Energy: 1.3136727399347299
Energy: 1.5971126858923541
Energy: 1.3136727399334613
Energy: 1.3107796153382463
Energy: 1.2761871662240878
Energy: 1.2771320052713775
Energy: 1.2761871662240878
Energy: 1.3812750452744837
Energy: 1.3133888445145119
Energy: 1.2646150443596436
Energy: 1.3133888445157804
Energy: 1.312987325316587
Energy: 1.4082984218454546
Energy: 1.3066709176162843
Energy: 1.4082984218454546
Energy: 1.318793171180601
Energy: 1.3023209559166817
Energy: 1.2784765316929436
Energy: 1.3023209559141444
Energy: 1.2713012947044333
Energy: 1.3925412145207328
Energy: 1.2799603382503277
Energy: 1.3925412145207328
Energy: 1.318848485552287
Energy: 1.3033630863203656
Energy: 1.2762967536539003
Energy: 1.303363086314023
Energy: 1.2282486346357542
Energy: 1.3135354259312655
Energy: 1.2524517805095476
Energy: 1.3135354259312655
Energy: 1.3492837850494366
Energy: 1.3120413711991545
Energy: 1.3251374054127396
Energy: 1.312041371200423
Energy: 1.2282638920502986
Energy: 1.3140221972446642
Energy: 1.3812649813763676
Energy: 1.3140221972433956
Energy: 1.318472185850205
Energy: 1.302715985677332
Energy: 1.2764405424977612
Energy: 1.302715985677332
Energy: 1.2711567399224517
Energy: 1.3925685948153246
Energy: 1.2631460999352502
Energy: 1.3925685948165931
Energy: 1.3157027087112845
Energy: 1.3022847690807768
Energy: 1.2785758090354329
Energy: 1.3022847690807768
Energy: 1.3126985843225674
Energy: 1.4082589915778834
Energy: 1.2849474180356215
Energy: 1.4082589915778834
Energy: 1.381255495479031
Energy: 1.31358055024554
Energy: 1.264895646620907
Energy: 1.31358055024554
Energy: 1.3106108740421052
Energy: 1.2762108340886629
Energy: 1.2771651809172329
Energy: 1.2762108340886629

minimum gb energy = 1.2282486346357542 eV
minimum distance =  2.33941480560686 Angstroms
sigma value = 25


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

Energy: 1.292034547662993
Energy: 1.3941022858409422
Energy: 1.5239860184073681
Energy: 1.3941022858378043
Energy: 1.2616886856631835
Energy: 1.484729842182355
Energy: 1.2395959425383194
Energy: 1.484729842180786
Energy: 1.2411298936503314
Energy: 1.5019809644005748
Energy: 1.239539389420886
Energy: 1.5019809644021438
Energy: 1.2929037045221536
Energy: 1.4764614378900967
Energy: 1.4454481516500388
Energy: 1.4764614378900967
Energy: 1.4447832116383457
Energy: 1.2617912473046866
Energy: 1.3019787947546673
Energy: 1.2617912473046866
Energy: 1.2392638139397854
Energy: 1.4995312955997493
Energy: 1.6994417888382454
Energy: 1.4995312955997493
Energy: 1.3033875471780936
Energy: 1.4201289366242047
Energy: 1.2396026087918464
Energy: 1.4201289366257734
Energy: 1.4254798321373574
Energy: 1.3894610466648663
Energy: 1.2904368138053155
Energy: 1.389461046674279
Energy: 1.2394695245626286
Energy: 1.3272728092638275
Energy: 1.2647718960066718
Energy: 1.3272728092638275
Energy: 1.49547071043789
Energy: 1.4532459496207755
Energy: 1.2412133003841843
Energy: 1.4532459496505825
Energy: 1.3243205617847587
Energy: 1.474615110919095
Energy: 1.6280351387184282
Energy: 1.474615110919095
Energy: 1.238874247539317
Energy: 1.309052618714162
Energy: 1.4933921041985414
Energy: 1.309052618715731
Energy: 1.4309547425450453
Energy: 1.4261898737231262
Energy: 1.2390795267408525
Energy: 1.4261898737231262
Energy: 1.2389190250939783
Energy: 1.4737865310068254
Energy: 1.2912328384483964
Energy: 1.4737865310068254
Energy: 1.3001317799887437
Energy: 1.3902688027837358
Energy: 1.4253833817138568
Energy: 1.3902688027837358
Energy: 1.2620305524496642
Energy: 1.3758685433712632
Energy: 1.2393811968254476
Energy: 1.3758685434512359
Energy: 1.239321866852464
Energy: 1.3806294799359413
Energy: 1.4924950997329844
Energy: 1.3806294799359413

minimum gb energy = 1.238874247539317 eV
minimum distance =  2.31921261121603 Angstroms
sigma value = 17


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

Energy: 1.3530602049565887
Energy: 1.3517926890689735
Energy: 1.7473810456106915
Energy: 1.3517926890680851
Energy: 1.4560881006991204
Energy: 1.4031239759976342
Energy: 1.26101000338792
Energy: 1.4031239759967458
Energy: 1.470241064532375
Energy: 1.3386591456109767
Energy: 1.2603527473236247
Energy: 1.3386591456216386
Energy: 1.2628305253603296
Energy: 1.3561407902552272
Energy: 1.3896350615637092
Energy: 1.3561407902587812
Energy: 1.5100121644200453
Energy: 1.3620818058988347
Energy: 1.3288285990226651
Energy: 1.3620818058979458
Energy: 1.2825225850214905
Energy: 1.3683502141686303
Energy: 1.750415859022368
Energy: 1.368350214167742
Energy: 1.261873173607278
Energy: 1.4008710496114238
Energy: 1.2623907679794064
Energy: 1.4008710496114238
Energy: 1.4681332676309415
Energy: 1.3703365923631938
Energy: 1.280336488953166
Energy: 1.3703365923631938
Energy: 1.2827040194930612
Energy: 1.4747397636517188
Energy: 1.5031660154968733
Energy: 1.4747397636526076
Energy: 1.622477201602063
Energy: 1.352576602549393
Energy: 1.2617296402977125
Energy: 1.352576602549393
Energy: 1.266878568496019
Energy: 1.3977381476700457
Energy: 1.7466428551577793
Energy: 1.3977381476753767
Energy: 1.2816101357095564
Energy: 1.401035424481573
Energy: 1.281766245816336
Energy: 1.4010354244806844
Energy: 1.7290464363158191
Energy: 1.3585810779266918
Energy: 1.3583171928206004
Energy: 1.3585810779258036
Energy: 1.2602464765765755
Energy: 1.4996855672887914
Energy: 1.4577460346410596
Energy: 1.4996855672887914
Energy: 1.4069937894990476
Energy: 1.4037516769023521
Energy: 1.282870352393304
Energy: 1.4037516769005753
Energy: 1.4704278615398456
Energy: 1.3692608897855614
Energy: 1.4692603443114498
Energy: 1.3692608897846728
Energy: 1.2623138921889898
Energy: 1.4287455711636805
Energy: 1.5834974430622468
Energy: 1.4287455711636805
Energy: 1.7011727228955098
Energy: 1.3432132164234216
Energy: 1.2827698744024494
Energy: 1.3432132164234216
Energy: 1.3065600432788906
Energy: 1.4298114658453438
Energy: 1.3534310026237621
Energy: 1.4298114658453438
Energy: 1.3290099676164653
Energy: 1.351546814268794
Energy: 1.263290463879218
Energy: 1.3515468142679057
Energy: 1.3633655030883376
Energy: 1.380956184534696
Energy: 1.4705805975296058
Energy: 1.380956184536473
Energy: 1.2613265730728391
Energy: 1.4615805505682735
Energy: 1.6218424247501384
Energy: 1.4615805449617614
Energy: 1.4870424232394857
Energy: 1.3967896727605855
Energy: 1.2600251051808258
Energy: 1.3967896727605855
Energy: 1.3475109943390895
Energy: 1.4338898869278216
Energy: 1.4465895618522926
Energy: 1.433889886926933
Energy: 1.3465394251717124
Energy: 1.3395807465866472
Energy: 1.4459817417665153
Energy: 1.3395807465484824
Energy: 1.4924688465648346
Energy: 1.3957884458199266
Energy: 1.2618951042805986
Energy: 1.3957884458217036
Energy: 1.3277106054691241
Energy: 1.5904064976784296
Energy: 1.656530779380419
Energy: 1.5904064976784296
Energy: 1.4680803496490564
Energy: 1.368740757782392
Energy: 1.4723337331309867
Energy: 1.3687407577815038
Energy: 1.553671936456824
Energy: 1.4913056882121063
Energy: 1.2634947004450598
Energy: 1.4913056882112181
Energy: 1.280270942075876
Energy: 1.427907859126388
Energy: 1.5559295743502046
Energy: 1.427907859126388

minimum gb energy = 1.2600251051808258 eV
minimum distance =  2.22766056071146 Angstroms
sigma value = 53


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

Energy: 1.1679716123267305
Energy: 1.1675323312091779
Energy: 1.6519960685947621
Energy: 1.1675323312091779
Energy: 1.4857583779766892
Energy: 1.309611295507813
Energy: 1.3644420444439067
Energy: 1.3096112955098584
Energy: 1.1687606386311795
Energy: 1.1672453691940634
Energy: 1.1898371474204654
Energy: 1.167245369192018
Energy: 1.1690790624529668
Energy: 1.1674139028576342
Energy: 1.1893375691446586
Energy: 1.1674139028576342
Energy: 1.4858644556094986
Energy: 1.3095489161493914
Energy: 1.409226578748075
Energy: 1.3095489161493914
Energy: 1.1679716123267305
Energy: 1.1675323312112236
Energy: 1.6519960685947621
Energy: 1.1675323312091779
Energy: 1.4857583779766892
Energy: 1.309611295507813
Energy: 1.4499588623352513
Energy: 1.3096112955098584
Energy: 1.1687606386291343
Energy: 1.1672453691940634
Energy: 1.3325774234936991
Energy: 1.167245369192018
Energy: 1.1690790624529668
Energy: 1.1674139028576342
Energy: 1.3542617467470637
Energy: 1.1674139028576342
Energy: 1.4858644556094986
Energy: 1.3095489161493914
Energy: 1.391912696711536
Energy: 1.3095489161493914
Energy: 1.1679716123267305
Energy: 1.1675323312112236
Energy: 1.7402217993143865
Energy: 1.1675323312091779
Energy: 1.4857583779766892
Energy: 1.309611295507813
Energy: 1.4499588623352513
Energy: 1.3096112955098584
Energy: 1.1687606386311795
Energy: 1.1672453691940634
Energy: 1.4509973828064424
Energy: 1.1672453691940634

minimum gb energy = 1.167245369192018 eV
minimum distance =  2.30322694221493 Angstroms
sigma value = 9


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

Energy: 1.3100408187666999
Energy: 1.485123636258892
Energy: 1.8361917903519862
Energy: 1.4851236357813966
Energy: 1.6143491351716293
Energy: 1.4015230991717027
Energy: 1.3319733657494306
Energy: 1.4015230991701886
Energy: 1.334494574913224
Energy: 1.2905180690315734
Energy: 1.3130059137878347
Energy: 1.2905180690323306
Energy: 1.5229838959897715
Energy: 1.5569631478949306
Energy: 1.3338786404367782
Energy: 1.5569631478941732
Energy: 1.5214932781505104
Energy: 1.378667397453613
Energy: 1.3444531345620812
Energy: 1.378667397453613
Energy: 1.291363406449944
Energy: 1.2913691085428471
Energy: 1.5462741156137259
Energy: 1.2913691085436045
Energy: 1.795772281001622
Energy: 1.4897291811900155
Energy: 1.3334968637218214
Energy: 1.4897291811915294
Energy: 1.348721659333819
Energy: 1.5626034075808135
Energy: 1.5064365116181107
Energy: 1.5626034075815707
Energy: 1.3371805459079151
Energy: 1.5691687590316976
Energy: 1.28986412447255
Energy: 1.5691687590309409
Energy: 1.337248580190932
Energy: 1.3983661761246773
Energy: 1.3332655403674043
Energy: 1.3983661761239203
Energy: 1.3462548978129723
Energy: 1.4121559321574058
Energy: 1.7712834223599654
Energy: 1.412155931959883
Energy: 1.5591780210649109
Energy: 1.5204804221823236
Energy: 1.3436808098223076
Energy: 1.5204804221800525
Energy: 1.3349756578462533
Energy: 1.5022482081199982
Energy: 1.6613245921776016
Energy: 1.5022482081184843
Energy: 1.5290312068793355
Energy: 1.5934769443938488
Energy: 1.317741409037054
Energy: 1.5934769443938488
Energy: 1.3359016903693095
Energy: 1.4934613764495794
Energy: 1.5253006667935185
Energy: 1.4934613764495794
Energy: 1.3392317377336531
Energy: 1.5671082576270676
Energy: 1.5396457724316823
Energy: 1.5671082576285815
Energy: 1.4464473438550873
Energy: 1.493707772242597
Energy: 1.3527864232090059
Energy: 1.493707772242597
Energy: 1.3519488285226897
Energy: 1.3740480247020543
Energy: 1.52899463298355
Energy: 1.374048024699026
Energy: 1.5877377311797038
Energy: 1.3928070065148792
Energy: 1.2949256450691675
Energy: 1.3928070065201785
Energy: 1.3274435720367994
Energy: 1.4150175598024757
Energy: 1.4632509484463363
Energy: 1.415017559801719
Energy: 1.5264140947709814
Energy: 1.55411151069872
Energy: 1.5338765457106371
Energy: 1.55411151069872
Energy: 1.4353724827480934
Energy: 1.478908261783716
Energy: 1.3465476223913344
Energy: 1.478908261783716
Energy: 1.2906659761505765
Energy: 1.4732573693362276
Energy: 1.3361401740858205
Energy: 1.4732573693362276
Energy: 1.7941795601854902
Energy: 1.41199660021927
Energy: 1.3435545791747334
Energy: 1.4119966002147275
Energy: 1.3332744399318028
Energy: 1.67775984941683
Energy: 1.7156644754710455
Energy: 1.677759849416073
Energy: 1.4321471432529937
Energy: 1.3959815566125917
Energy: 1.3350863602325767
Energy: 1.3959815566103204
Energy: 1.3991286472253321
Energy: 1.4996398394384822
Energy: 1.5280405691461059
Energy: 1.499639839436211
Energy: 1.3101446517547466
Energy: 1.5579856709428357
Energy: 1.5222383147412317
Energy: 1.5579856709420783
Energy: 1.4171384906746927
Energy: 1.3946296849961437
Energy: 1.3345999501222805
Energy: 1.3946296849953868
Energy: 1.332641674132124
Energy: 1.6774087771689077
Energy: 1.7104588290136749
Energy: 1.6774087771696646
Energy: 1.6912123574932312
Energy: 1.4111820736936178
Energy: 1.3428070129573542
Energy: 1.4111820736928609
Energy: 1.2914388309717633
Energy: 1.37705745991519
Energy: 1.3338455458990781
Energy: 1.377057459915947
Energy: 1.2925839655131786
Energy: 1.4758541184546201
Energy: 1.3337958021340186
Energy: 1.4758541184553773
Energy: 1.5302691739771908
Energy: 1.5557477168724014
Energy: 1.5290853884977138
Energy: 1.5557477168708875
Energy: 1.3250051209924967
Energy: 1.554062412957627
Energy: 1.8040720996286577
Energy: 1.554062412957627

minimum gb energy = 1.28986412447255 eV
minimum distance =  2.23821718041724 Angstroms
sigma value = 73


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

Energy: 1.2970010118498865
Energy: 1.2961733113485905
Energy: 1.759452132852929
Energy: 1.2961733113485905
Energy: 1.366082003271006
Energy: 1.4411321009575153
Energy: 1.2964446264662792
Energy: 1.4411321009575153
Energy: 1.369493483052427
Energy: 1.4618301723409832
Energy: 1.3134201979070546
Energy: 1.4618301723421845
Energy: 1.368021494473143
Energy: 1.4424689272132196
Energy: 1.2960791068552975
Energy: 1.4424689272132196
Energy: 1.3666336480891057
Energy: 1.4157789582240814
Energy: 1.3154323577671467
Energy: 1.4157789582240814
Energy: 1.3823573856133848
Energy: 1.3398682036803564
Energy: 1.7532626751972635
Energy: 1.3398682036803564
Energy: 1.7392742191687078
Energy: 1.6349643596290973
Energy: 1.3693250758035014
Energy: 1.634964359627896
Energy: 1.3654973155138663
Energy: 1.4621402389725726
Energy: 1.717493082319752
Energy: 1.4621402389725726
Energy: 1.7112784189859291
Energy: 1.2965320748179177
Energy: 1.2964593620370164
Energy: 1.2965320748179177
Energy: 1.371634481871425
Energy: 1.4090455979154004
Energy: 1.2959965750881173
Energy: 1.4090455979154004
Energy: 1.3575363549444652
Energy: 1.4624968866575652
Energy: 1.7090114966281975
Energy: 1.4624968866575652
Energy: 1.4779720241950336
Energy: 1.4419100276273982
Energy: 1.3465945819475986
Energy: 1.4419100276273982
Energy: 1.3681655238626964
Energy: 1.4094185566451807
Energy: 1.483992866755211
Energy: 1.4094185566439794
Energy: 1.8221635457065857
Energy: 1.410151665393661
Energy: 1.3830504391625242
Energy: 1.410151665393661
Energy: 1.313400340677996
Energy: 1.394213223663255
Energy: 1.4769852327954622
Energy: 1.394213223663255
Energy: 1.7145454302277867
Energy: 1.4628130591338329
Energy: 1.365740322609657
Energy: 1.4628130591338329
Energy: 1.2956598967306525
Energy: 1.2959463032133756
Energy: 1.3710246924339609
Energy: 1.2959463032121745
Energy: 1.2962820448212378
Energy: 1.2967696853957067
Energy: 1.3856831480525704
Energy: 1.2967696853957067
Energy: 1.2859268101417907
Energy: 1.4619367033810688
Energy: 1.3672180599823944
Energy: 1.4619367033810688
Energy: 1.295395355717919
Energy: 1.4003862148629884
Energy: 1.7719543958733894
Energy: 1.4003862148629884
Energy: 1.8194176109349078
Energy: 1.34074718564017
Energy: 1.386412702289404
Energy: 1.34074718564017
Energy: 1.2956088102393677
Energy: 1.4101768873038558
Energy: 1.4851385119232579
Energy: 1.4101768873038558

minimum gb energy = 1.2859268101417907 eV
minimum distance =  2.24588410013792 Angstroms
sigma value = 7


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

Energy: 1.3322653148256052
Energy: 1.3333755740557687
Energy: 1.758325019894433
Energy: 1.333375574056618
Energy: 1.6790277285753112
Energy: 1.4015967250202248
Energy: 1.352404000850648
Energy: 1.4015967250193753
Energy: 1.3522404140533715
Energy: 1.5406605073043944
Energy: 1.3362017356803115
Energy: 1.5406605073035453
Energy: 1.3884176661897711
Energy: 1.4372529116851358
Energy: 1.3517330351008292
Energy: 1.4372529116851358
Energy: 1.3501305147351375
Energy: 1.4271414572695214
Energy: 1.3364172496026006
Energy: 1.4271414572712198
Energy: 1.3505544090898056
Energy: 1.4556352145418328
Energy: 1.6485268803236328
Energy: 1.4556352145435314
Energy: 1.4766458312372972
Energy: 1.5287800975353025
Energy: 1.4136498256089258
Energy: 1.5287800975353025
Energy: 1.35057745222092
Energy: 1.4588986155593011
Energy: 1.8042620130306473
Energy: 1.4588986155584518
Energy: 1.4944389309057067
Energy: 1.419146865605974
Energy: 1.3656854373401972
Energy: 1.419146865605974
Energy: 1.346769269625662
Energy: 1.4386748808122887
Energy: 1.4621320353563134
Energy: 1.4386748808122887
Energy: 1.3298790983777915
Energy: 1.537800140875904
Energy: 1.3216956291204047
Energy: 1.537800140875055
Energy: 1.334157078966342
Energy: 1.426779341608975
Energy: 1.3221057147090038
Energy: 1.4267793416072763
Energy: 1.3353223625904367
Energy: 1.333936407177084
Energy: 1.3226434267495335
Energy: 1.3339364071736868
Energy: 1.3366086868827887
Energy: 1.4466541398502486
Energy: 1.3825422887361865
Energy: 1.446654139846851
Energy: 1.3433708272892035
Energy: 1.5798233148314151
Energy: 1.5191069048161532
Energy: 1.579823314828867
Energy: 1.8289612183573885
Energy: 1.3229795245938503
Energy: 1.3666423820164706
Energy: 1.3229795245938503
Energy: 1.342226147458018
Energy: 1.4275232684885073
Energy: 1.5329178493709739
Energy: 1.4275232684876582
Energy: 1.341752284278524
Energy: 1.4042632107849007
Energy: 1.3815661159815338
Energy: 1.4042632107849007
Energy: 1.3416563348993416
Energy: 1.4564131633089226
Energy: 1.3898697209768214
Energy: 1.456413163308073
Energy: 1.342374403918372
Energy: 1.4316301076815117
Energy: 1.3238289062164112
Energy: 1.4316301076815117
Energy: 1.4095694074755005
Energy: 1.5398487142474606
Energy: 1.3658217909003194
Energy: 1.5398487142474606
Energy: 1.3504746393907736
Energy: 1.5432263808388116
Energy: 1.4585089028123455
Energy: 1.5432263808388116
Energy: 1.7119762920916086
Energy: 1.5689115464808026
Energy: 1.3605046740886775
Energy: 1.568911546712553
Energy: 1.3380161368342203
Energy: 1.3338066562717785
Energy: 1.6837571172476036
Energy: 1.333806656272628
Energy: 1.3598006930068167
Energy: 1.43208724319048
Energy: 1.3364051409918607
Energy: 1.43208724319048
Energy: 1.3289506563528852
Energy: 1.5364286319588287
Energy: 1.322322402336372
Energy: 1.5364286319588287
Energy: 1.3508517729263867
Energy: 1.4375209293276374
Energy: 1.337932814707973
Energy: 1.4375209293301856
Energy: 1.3293680716801692
Energy: 1.4272107866593333
Energy: 1.352630254506536
Energy: 1.4272107866576347
Energy: 1.3518416342892914
Energy: 1.4572623095669615
Energy: 1.502768808428832
Energy: 1.4572623095695094
Energy: 1.3360997304415685
Energy: 1.5456393693097816
Energy: 1.3531770700303463
Energy: 1.5456393693072337
Energy: 1.3517579403183806
Energy: 1.4579628647986742
Energy: 1.6453138139455494
Energy: 1.457962864800373

minimum gb energy = 1.3216956291204047 eV
minimum distance =  2.22943854996206 Angstroms
sigma value = 29


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

Energy: 1.2708932929972545
Energy: 1.2437707341471815
Energy: 1.892506668748864
Energy: 1.2437707341480362
Energy: 1.3084155726474165
Energy: 1.2734030358027761
Energy: 1.268647858578522
Energy: 1.273403035803072
Energy: 1.294399908982495
Energy: 1.3420207718739747
Energy: 1.4356149833104725
Energy: 1.3420207718739747
Energy: 1.268705499046791
Energy: 1.2122473373340483
Energy: 1.2685630667493075
Energy: 1.212247337332602
Energy: 1.270759103023421
Energy: 1.3061421900314991
Energy: 1.2090982425191996
Energy: 1.3061421900320909
Energy: 1.2942040546270643
Energy: 1.3445968515799507
Energy: 1.2944008316509497
Energy: 1.3445968515796547
Energy: 1.2095022647269333
Energy: 1.306316468689623
Energy: 1.2707611022638943
Energy: 1.3063164686893598
Energy: 1.2689084058538789
Energy: 1.211775512914443
Energy: 1.268547507053561
Energy: 1.211775512914443
Energy: 1.2089543745496563
Energy: 1.3421673151106683
Energy: 1.2944322339980951
Energy: 1.3421673151112599

minimum gb energy = 1.2089543745496563 eV
minimum distance =  2.28640044974956 Angstroms
sigma value = 5


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

Energy: 1.29600671720918
Energy: 1.3736437472973821
Energy: 1.610201216403922
Energy: 1.3736437472989866
Energy: 1.4462333848651656
Energy: 1.522373321643146
Energy: 1.2627315707724878
Energy: 1.5223733216407394
Energy: 1.2463847127710326
Energy: 1.3880725961061875
Energy: 1.4949579105823618
Energy: 1.3880725961053852
Energy: 1.289477299034761
Energy: 1.4468551241194627
Energy: 1.2704427152314297
Energy: 1.446855124120265
Energy: 1.2835863062228032
Energy: 1.364259247325991
Energy: 1.5223050910911238
Energy: 1.364259247325991
Energy: 1.3262154727263207
Energy: 1.3952841667972151
Energy: 1.257399320538127
Energy: 1.3952841667972151
Energy: 1.252429146762586
Energy: 1.3737492378761729
Energy: 1.2489991231219666
Energy: 1.3737492378777774
Energy: 1.2512930653115815
Energy: 1.345724378594372
Energy: 1.2464214683940378
Energy: 1.3457243785951745
Energy: 1.2642757960938906
Energy: 1.362184689841506
Energy: 1.2671292673739483
Energy: 1.3621846898543428
Energy: 1.2635195234450214
Energy: 1.363217762529129
Energy: 1.2532764253010096
Energy: 1.3632177625299313
Energy: 1.2761613659401114
Energy: 1.2932068879596423
Energy: 1.2471353866745405
Energy: 1.2932068879620493
Energy: 1.2805362094956951
Energy: 1.3960528006825643
Energy: 1.382145764529734
Energy: 1.3960528006825643
Energy: 1.349989729172502
Energy: 1.2925871432497793
Energy: 1.2944742644567722
Energy: 1.2925871432489766
Energy: 1.262633384047739
Energy: 1.3950839843422074
Energy: 1.3356493489103036
Energy: 1.3950839843389982
Energy: 1.591362487614321
Energy: 1.548201364579828
Energy: 1.2470386863873764
Energy: 1.548201364579828
Energy: 1.267223729595335
Energy: 1.3637629687172903
Energy: 1.488035557955746
Energy: 1.3637629687188948
Energy: 1.4531517751543739
Energy: 1.4372144738071195
Energy: 1.2578270983354947
Energy: 1.4372144738079218
Energy: 1.2607155626396416
Energy: 1.394626086067932
Energy: 1.4414239291998197
Energy: 1.3946260860671298
Energy: 1.2663300754405549
Energy: 1.3752513882207111
Energy: 1.2510420795429973
Energy: 1.375251388217502
Energy: 1.2764673464007568
Energy: 1.4261117993015382
Energy: 1.2778713813685425
Energy: 1.4261117993023407
Energy: 1.2707002557804323
Energy: 1.44579833973326
Energy: 1.2637605445251467
Energy: 1.4457983397348648
Energy: 1.2721960554256866
Energy: 1.3620527425416316
Energy: 1.264022721150087
Energy: 1.3620527425424338
Energy: 1.2512783076429754
Energy: 1.2940389171860684
Energy: 1.2797525897615942
Energy: 1.2940389171844642
Energy: 1.3762479508089733
Energy: 1.29706784289092
Energy: 1.281310966885032
Energy: 1.2970678428941291
Energy: 1.3802808013644037
Energy: 1.2770647937468185
Energy: 1.256736942059716
Energy: 1.277064793747621
Energy: 1.2702437871272854
Energy: 1.3442485081680573
Energy: 1.2646960424105793
Energy: 1.3442485081672548
Energy: 1.2468302763384178
Energy: 1.23726484953261
Energy: 1.3845147676522456
Energy: 1.2372648495366214
Energy: 1.3591995768919443
Energy: 1.3318578018110248
Energy: 1.2655639329326163
Energy: 1.3318578018110248
Energy: 1.253429156146426
Energy: 1.5826983347348322
Energy: 1.369747256552399
Energy: 1.5826983347332277
Energy: 1.5197123992723804
Energy: 1.395109724647889
Energy: 1.259548706697607
Energy: 1.3951097246486914
Energy: 1.2473839438965852
Energy: 1.2793769925849352
Energy: 1.4922090808555242
Energy: 1.2793769925849352
Energy: 1.4492274907097398
Energy: 1.4872202853753116
Energy: 1.2709326606092104
Energy: 1.4872202853745093
Energy: 1.2717943653805304
Energy: 1.4483278911277986
Energy: 1.27114250191393
Energy: 1.4483278911269963

minimum gb energy = 1.23726484953261 eV
minimum distance =  2.22406164268943 Angstroms
sigma value = 1


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

Energy: 1.2434151354335474
Energy: 1.244369385991065
Energy: 1.4363089977779269
Energy: 1.244369385992174
Energy: 1.237939348702478
Energy: 1.674490152812058
Energy: 1.217716966896219
Energy: 1.674490152813167
Energy: 1.1918474063773115
Energy: 1.3923961849977924
Energy: 1.6669850328020206
Energy: 1.3923961849989017
Energy: 1.2899338559643065
Energy: 1.3352603272192254
Energy: 1.2010643685619105
Energy: 1.3352603272192254
Energy: 1.214482488993151
Energy: 1.2386264014466442
Energy: 1.4428534890979128
Energy: 1.238626401445535
Energy: 1.1920586339982449
Energy: 1.5746400906467493
Energy: 1.2006839462805314
Energy: 1.5746400906456401
Energy: 1.1924851835219046
Energy: 1.375052615888701
Energy: 1.2318016587192353
Energy: 1.3750526158898104
Energy: 1.1870837186414787
Energy: 1.3929746659427693
Energy: 1.2513767806532985
Energy: 1.3929746659438786
Energy: 1.2433171489371995
Energy: 1.2418672804886937
Energy: 1.2656995233290076
Energy: 1.2418672804875843
Energy: 1.242717598108442
Energy: 1.242074200524189
Energy: 1.2505090642642689
Energy: 1.242074200525298
Energy: 1.1922951417561132
Energy: 1.392832040291555
Energy: 1.2670126573213571
Energy: 1.392832040291555
Energy: 1.1869071578550705
Energy: 1.3753383918969744
Energy: 1.2114232589612064
Energy: 1.3753383918969744
Energy: 1.191978297219503
Energy: 1.5754814654176572
Energy: 1.2010376385315478
Energy: 1.5754814654165479
Energy: 1.2143891367582547
Energy: 1.2389268717779265
Energy: 1.3717595096381714
Energy: 1.2389268717779265
Energy: 1.289471996124653
Energy: 1.3360845450214285
Energy: 1.2007777654257863
Energy: 1.336084545020319
Energy: 1.1919207791982185
Energy: 1.3920481512035914
Energy: 1.3574934633346327
Energy: 1.3920481512047007
Energy: 1.2381748134208852
Energy: 1.6738238866056074
Energy: 1.2176608114252836
Energy: 1.6738238866056074
Energy: 1.2434151354335474
Energy: 1.244369385991065
Energy: 1.5537086091178967
Energy: 1.244369385991065
Energy: 1.2379393486936032
Energy: 1.6744901528142766
Energy: 1.217716966896219
Energy: 1.674490152813167
Energy: 1.1918474063762026
Energy: 1.3923961849977924
Energy: 1.6669850328020206
Energy: 1.3923961849977924
Energy: 1.2899338559643065
Energy: 1.3352603272203347
Energy: 1.2010643685619105
Energy: 1.3352603272203347
Energy: 1.214482488993151
Energy: 1.2386264014444255
Energy: 1.4428538448712935
Energy: 1.238626401445535
Energy: 1.1920586339982449
Energy: 1.5746400906478586
Energy: 1.200683946281641
Energy: 1.5746400906467493
Energy: 1.1924851835219046
Energy: 1.375052615888701
Energy: 1.211693419347643
Energy: 1.3750526158898104

minimum gb energy = 1.1869071578550705 eV
minimum distance =  2.25056044332505 Angstroms
sigma value = 17


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

Energy: 1.2457386122892087
Energy: 1.2450725339984092
Energy: 1.638237677133361
Energy: 1.2450725339990947
Energy: 1.378956274367394
Energy: 1.3763257693269322
Energy: 1.2097421986220016
Energy: 1.376325769327618
Energy: 1.2059317558977731
Energy: 1.3276369852105867
Energy: 1.4699732810212465
Energy: 1.3276369852119578
Energy: 1.3112274615296904
Energy: 1.1960078669986145
Energy: 1.2040693764302808
Energy: 1.1960078669999858
Energy: 1.2069370227729919
Energy: 1.4457080337011612
Energy: 1.4926026586510828
Energy: 1.4457080337025323
Energy: 1.2278379539839062
Energy: 1.3566389357315691
Energy: 1.220241370004314
Energy: 1.356638933964809
Energy: 1.2257552205031554
Energy: 1.3126093805225998
Energy: 1.2308250711749773
Energy: 1.3126093805219143
Energy: 1.2216625871427067
Energy: 1.300603566212185
Energy: 1.2017165018106997
Energy: 1.3006035662114994
Energy: 1.2444817721756434
Energy: 1.297573237417193
Energy: 1.272478141712136
Energy: 1.2975732374158218
Energy: 1.2313424002409015
Energy: 1.4297092139086114
Energy: 1.2171836517395638
Energy: 1.4297092139058687
Energy: 1.2109658686655786
Energy: 1.2730648400235784
Energy: 1.2106311756566364
Energy: 1.2730648400263211
Energy: 1.1985114045118963
Energy: 1.3053177597219838
Energy: 1.1944223604713136
Energy: 1.3053177597219838
Energy: 1.2243805555603757
Energy: 1.4323148837085098
Energy: 1.2078802669277757
Energy: 1.432314883706453
Energy: 1.2244760366911758
Energy: 1.3324177962027577
Energy: 1.2451240035833893
Energy: 1.3324177962027577
Energy: 1.2109249371612871
Energy: 1.335724660246083
Energy: 1.256558759406069
Energy: 1.3357246602337414
Energy: 1.212071392705937
Energy: 1.434165732852053
Energy: 1.4871106838452575
Energy: 1.4341657328527386
Energy: 1.2574312507051126
Energy: 1.202547762432457
Energy: 1.207761312807192
Energy: 1.202547762432457
Energy: 1.1988214113414197
Energy: 1.339531527848105
Energy: 1.4479835183566279
Energy: 1.339531527848105
Energy: 1.3756386999122998
Energy: 1.3542801938371636
Energy: 1.2095300966215867
Energy: 1.3542801938405917
Energy: 1.2144302239044766
Energy: 1.231502230804192
Energy: 1.3296494201201654
Energy: 1.2315022308028207
Energy: 1.3548052569694065
Energy: 1.3528770512321062
Energy: 1.2237713076196426
Energy: 1.3528770512321062
Energy: 1.2244963989544
Energy: 1.4471565633291172
Energy: 1.4456834797521338
Energy: 1.447156563329803
Energy: 1.3590177474264644
Energy: 1.210772622781924
Energy: 1.2167349540408738
Energy: 1.2107726227826097
Energy: 1.2098673344607096
Energy: 1.2204350083470865
Energy: 1.3774536568160203
Energy: 1.220435008349829
Energy: 1.2899401682161453
Energy: 1.3394585135431665
Energy: 1.2011663998347524
Energy: 1.3394585135445376
Energy: 1.2109544885305836
Energy: 1.3343083532678321
Energy: 1.2123673360268021
Energy: 1.3343083532685178
Energy: 1.3609689523183095
Energy: 1.5817042853976593
Energy: 1.2150686422392987
Energy: 1.5817042853976593
Energy: 1.258377411572687
Energy: 1.5994101985995155
Energy: 1.2284624004082811
Energy: 1.5994101986050004
Energy: 1.2452007578873145
Energy: 1.3320304048997587
Energy: 1.2192481315369341
Energy: 1.3320304049011298
Energy: 1.211788050494044
Energy: 1.4343674945982476
Energy: 1.248845565945406
Energy: 1.4343674945927627
Energy: 1.1947896751093563
Energy: 1.3315414948806872
Energy: 1.1983243789347278
Energy: 1.3315414948800015
Energy: 1.2109550243313918
Energy: 1.272338164561881
Energy: 1.2071100703184148
Energy: 1.272338164561881
Energy: 1.214998423027791
Energy: 1.4281942005802701
Energy: 1.3874996674276916
Energy: 1.428194200582327
Energy: 1.2732776893607551
Energy: 1.4811117223094452
Energy: 1.2218126662671092
Energy: 1.4811117223101307
Energy: 1.2011458399218296
Energy: 1.4436004575691774
Energy: 1.255076342383535
Energy: 1.4436004575684915
Energy: 1.2313495543723743
Energy: 1.3144655823497586
Energy: 1.223253735884514
Energy: 1.3144655823497586
Energy: 1.2163382974111676
Energy: 1.35506120053193
Energy: 1.2312205837692025
Energy: 1.355061200588152
Energy: 1.4871932641319943
Energy: 1.2398412660111795
Energy: 1.2125321360858894
Energy: 1.2398412659700413

minimum gb energy = 1.1944223604713136 eV
minimum distance =  2.24769926839113 Angstroms
sigma value = 89


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

Energy: 1.1106836475579749
Energy: 1.1109121008071035
Energy: 1.2059568481094376
Energy: 1.1109121008071035
Energy: 1.1115516859941141
Energy: 1.1458844021101577
Energy: 1.1298585087413533
Energy: 1.1458844021083638
Energy: 1.1268109369058978
Energy: 1.3645951783505232
Energy: 1.8058861922763014
Energy: 1.3645951783469354
Energy: 1.145601651040986
Energy: 1.14624462030606
Energy: 1.1294546398887428
Energy: 1.14624462030606
Energy: 1.1264567561251064
Energy: 1.5068448228222326
Energy: 1.2576100764851357
Energy: 1.5068448228222326
Energy: 1.1265576118839389
Energy: 1.1121235849964186
Energy: 1.1141457426360903
Energy: 1.1121235849964186
Energy: 1.126706739457894
Energy: 1.3300720038330203
Energy: 1.1108394139246145
Energy: 1.3300720038330203
Energy: 1.1430024902373683
Energy: 1.4842923604096316
Energy: 1.1297418113894542
Energy: 1.4842923604096316
Energy: 1.1262134150529668
Energy: 1.23992490241719
Energy: 1.1152837349290023
Energy: 1.23992490241719
Energy: 1.1453832434700613
Energy: 1.1106933814808906
Energy: 1.1262953584022064
Energy: 1.1106933814808906
Energy: 1.110281056228997
Energy: 1.1468712161653005
Energy: 1.1264247241615204
Energy: 1.1468712161635066
Energy: 1.1103949792849097
Energy: 1.3319675298152016
Energy: 1.129663943061762
Energy: 1.3319675298134077
Energy: 1.1261872209251516
Energy: 1.1778270533406041
Energy: 1.1573469382626247
Energy: 1.1778270533406041
Energy: 1.126198440145851
Energy: 1.23590736310294
Energy: 1.1262103468885518
Energy: 1.23590736310294
Energy: 1.114621757051847
Energy: 1.1777022245426407
Energy: 1.126214443914261
Energy: 1.1777022245426407

minimum gb energy = 1.110281056228997 eV
minimum distance =  2.26812062343347 Angstroms
sigma value = 13


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

Energy: 1.1199915574130577
Energy: 1.3526948534722703
Energy: 1.1331544267624507
Energy: 1.3526948534752778
Energy: 1.256410208232829
Energy: 1.3727964112682753
Energy: 1.0718520448018933
Energy: 1.3727964112675233
Energy: 1.0807354536861515
Energy: 1.382400587166537
Energy: 1.3046113531513115
Energy: 1.3824005871650331
Energy: 1.077334555033857
Energy: 1.3714572897532349
Energy: 1.0696427545865839
Energy: 1.3714572897547388
Energy: 1.0870302387483917
Energy: 1.4945348055254382
Energy: 1.1556786832825268
Energy: 1.4945348055231824
Energy: 1.0759845165397455
Energy: 1.238356843914807
Energy: 1.0947242610253598
Energy: 1.2383568439163106
Energy: 1.0874317448559447
Energy: 1.3465738248789336
Energy: 1.5023257848751213
Energy: 1.3465738248804375
Energy: 1.0724505051287625
Energy: 1.4018978904462143
Energy: 1.0946996908011188
Energy: 1.4018978904462143
Energy: 1.0868524045192387
Energy: 1.3064572963560677
Energy: 1.2896136966476106
Energy: 1.30645729635306
Energy: 1.2644493339189595
Energy: 1.5128117406846908
Energy: 1.0698529953870881
Energy: 1.5128117406884507
Energy: 1.0870283536652618
Energy: 1.1991221635209226
Energy: 1.0711047599030143
Energy: 1.1991221635209226
Energy: 1.373644501740371
Energy: 1.58418718768215
Energy: 1.0784905241627358
Energy: 1.5841871876829017
Energy: 1.1270939329818261
Energy: 1.3845708338620584
Energy: 1.0894047720979085
Energy: 1.384570833856043
Energy: 1.3502706519976766
Energy: 1.4717775623875111
Energy: 1.0776015836870507
Energy: 1.4717775623875111
Energy: 1.087211342631703
Energy: 1.3843145774636014
Energy: 1.0910787322721487
Energy: 1.3843145774628496
Energy: 1.0778354311076912
Energy: 1.3299790464056016
Energy: 1.0668270378740097
Energy: 1.3299790464063534
Energy: 1.0921353205853959
Energy: 1.4206376706884007
Energy: 1.0671571754681841
Energy: 1.4206376706929125
Energy: 1.1038313050498452
Energy: 1.307919419428729
Energy: 1.090521160826944
Energy: 1.307919419426473
Energy: 1.0925500054783484
Energy: 1.3074309499714416
Energy: 1.090590516205232
Energy: 1.3074309500000145
Energy: 1.0924260150670027
Energy: 1.3074987790809225
Energy: 1.0905964570905655
Energy: 1.3074987790831785
Energy: 1.104236065046206
Energy: 1.3076016459295523
Energy: 1.0906736382072968
Energy: 1.3076016459295523
Energy: 1.092725669473144
Energy: 1.4203532779342478
Energy: 1.0676245982533064
Energy: 1.4203532779342478
Energy: 1.078157188367804
Energy: 1.329297847858024
Energy: 1.0669563166580371
Energy: 1.329297847857272
Energy: 1.0873094080226726
Energy: 1.3840621259558605
Energy: 1.0865958812407197
Energy: 1.384062125960372
Energy: 1.3515207841126697
Energy: 1.4717934570190552
Energy: 1.0786761509995413
Energy: 1.471793457017551
Energy: 1.1271497031946063
Energy: 1.3850377038297903
Energy: 1.0759247715843805
Energy: 1.3850377038185115
Energy: 1.3736795107552668
Energy: 1.5839084371862193
Energy: 1.077882956378978
Energy: 1.5839084371862193
Energy: 1.0868564244714265
Energy: 1.1983853383719179
Energy: 1.0716701040710122
Energy: 1.1983853383726697
Energy: 1.2660259413117942
Energy: 1.5106658268342692
Energy: 1.0697739805124875
Energy: 1.5106658268312612
Energy: 1.0869083552004157
Energy: 1.3071474098508524
Energy: 1.215308008529281
Energy: 1.3071474098501008
Energy: 1.075312308632456
Energy: 1.401565906422297
Energy: 1.0949446811621684
Energy: 1.4015659064185373
Energy: 1.0870181512551962
Energy: 1.3471277391567646
Energy: 1.3514140027657442
Energy: 1.3471277391590206
Energy: 1.0764799449849127
Energy: 1.2381115717839242
Energy: 1.094757126243829
Energy: 1.2381115716509024
Energy: 1.0867014428711421
Energy: 1.494541252332749
Energy: 1.3684277329442107
Energy: 1.4945412523289894
Energy: 1.0774735033795662
Energy: 1.3711289622546863
Energy: 1.069643978711539
Energy: 1.3711289622539347

minimum gb energy = 1.0668270378740097 eV
minimum distance =  2.23677489247372 Angstroms
sigma value = 37


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

Energy: 1.027866727470803
Energy: 1.0272055236928834
Energy: 1.0364215141036073
Energy: 1.0272055236928834
Energy: 1.4996244840166777
Energy: 1.243259183177248
Energy: 0.988142054300395
Energy: 1.243259183177248
Energy: 0.9978826939457314
Energy: 1.508474924038617
Energy: 1.7025224163437178
Energy: 1.508474924038617
Energy: 0.9780365964155154
Energy: 1.2434171829436378
Energy: 0.9879994821614216
Energy: 1.2434171829436378
Energy: 0.9863371643003661
Energy: 1.244044200986065
Energy: 0.9775222087677314
Energy: 1.244044200986065
Energy: 0.9997564211112623
Energy: 1.2432211711883396
Energy: 0.9809085798551679
Energy: 1.2432211711883396
Energy: 1.0160079615914237
Energy: 1.493920422817174
Energy: 1.2214300466841697
Energy: 1.493920422817174
Energy: 0.9865057410847445
Energy: 1.0278226870056106
Energy: 1.0292952366943728
Energy: 1.0278226870056106
Energy: 0.9863321218699979
Energy: 1.2442887360609916
Energy: 1.2206601332258786
Energy: 1.2442887360609916
Energy: 1.3494627449968666
Energy: 1.5077353496059067
Energy: 0.9810194988134785
Energy: 1.5077353496046129
Energy: 1.0161384882215991
Energy: 1.496123014068637
Energy: 0.9776779607249302
Energy: 1.4961230140673436
Energy: 1.283312494151678
Energy: 1.2457458027060218
Energy: 0.9882695844024626
Energy: 1.2457458027060218
Energy: 0.9773388343001149
Energy: 1.2444039064547787
Energy: 1.0019115985521962
Energy: 1.244403906453485
Energy: 1.2209169957583572
Energy: 1.4966734435013542
Energy: 0.9861744351741992
Energy: 1.4966734435013542
Energy: 1.0266690930310138
Energy: 1.080241232041681
Energy: 0.9862005799301715
Energy: 1.080241232041681
Energy: 1.027382340537103
Energy: 1.245972980838115
Energy: 0.9880114232189877
Energy: 1.245972980838115
Energy: 0.9770929458147303
Energy: 1.377133045984756
Energy: 1.014193091914952
Energy: 1.3771330459860496
Energy: 0.9784267584599861
Energy: 1.2817874281016457
Energy: 0.9861370204132006
Energy: 1.281787428100352
Energy: 0.986302696490694
Energy: 1.2491897400913008
Energy: 0.9861872970585392
Energy: 1.2491897400900072
Energy: 0.9864736929852822
Energy: 1.0276948397972452
Energy: 0.9773523304953103
Energy: 1.0276948397972452

minimum gb energy = 0.9770929458147303 eV
minimum distance =  2.2824789288754 Angstroms
sigma value = 25


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

Energy: 0.9618394656542358
Energy: 1.2383280246284243
Energy: 1.592151598976924
Energy: 1.2383280246274142
Energy: 1.2523473979294022
Energy: 1.2538818197407544
Energy: 0.909593995185284
Energy: 1.2538818197407544
Energy: 0.9039313431481673
Energy: 0.9044292291833538
Energy: 1.2303030053843136
Energy: 0.9044292291833538
Energy: 1.0728807524852784
Energy: 1.25400974189905
Energy: 0.9092230946673063
Energy: 1.2540097418980394
Energy: 0.9109262422026708
Energy: 1.2543127993584273
Energy: 0.8867850315700466
Energy: 1.2543127993584273
Energy: 0.8820261507582097
Energy: 1.2548866289249727
Energy: 0.9092819052436705
Energy: 1.2548866289259828
Energy: 0.9113639196972353
Energy: 1.072303618821205
Energy: 0.9775742892011263
Energy: 1.072303618821205
Energy: 0.8950893894458871
Energy: 1.1179169329658
Energy: 0.9058780043269024
Energy: 1.11791693296479
Energy: 0.9085546897562365
Energy: 1.2535929639993233
Energy: 1.257873367171839
Energy: 1.2535929639993233
Energy: 0.8862099719962859
Energy: 1.2402045825742443
Energy: 0.9635757583710209
Energy: 1.2402045825742443
Energy: 0.9115166097848273
Energy: 1.0719569684767147
Energy: 1.2533823212151685
Energy: 1.0719569684757047
Energy: 1.1754082102038477
Energy: 1.325047471836637
Energy: 0.9059973221515508
Energy: 1.3250474718376473
Energy: 0.9112831052459712
Energy: 1.253493735274573
Energy: 1.0618914337362853
Energy: 1.253493735273563
Energy: 1.1497259572244178
Energy: 1.2908420922421289
Energy: 0.9094365815716933
Energy: 1.2908420922421289
Energy: 0.9116487052586639
Energy: 1.071664315724876
Energy: 0.882233569796965
Energy: 1.0716643157268966
Energy: 1.1482469739464762
Energy: 1.2297961301471794
Energy: 0.910053293996306
Energy: 1.229796130146169
Energy: 0.9111175467659826
Energy: 1.1181264684805539
Energy: 0.8951405372640778
Energy: 1.1181264684805539
Energy: 1.0892477477902285
Energy: 1.2547934333181525
Energy: 0.9095657815185597
Energy: 1.254793433320173
Energy: 0.9689123165491024
Energy: 1.2416800427100467
Energy: 0.8862178010109174
Energy: 1.2416800427100467
Energy: 1.2388705270173024
Energy: 1.230506541252941
Energy: 0.9097372091336966
Energy: 1.230506541252941
Energy: 0.9082100475339598
Energy: 1.3246574019903272
Energy: 0.8937902178084346
Energy: 1.3246574019913375
Energy: 0.904360676605597
Energy: 1.2553601597457582
Energy: 0.9094410018129698
Energy: 1.2553601597467685
Energy: 0.9122747741203113
Energy: 1.2899438037022208
Energy: 1.1500293368009011
Energy: 1.2899438037022208
Energy: 0.8813109152445665
Energy: 1.394331180987015
Energy: 0.9100397998759782
Energy: 1.394331180987015
Energy: 0.9098183986844491
Energy: 1.227733155516323
Energy: 1.1482698686218382
Energy: 1.227733155517333
Energy: 0.8869294855553416
Energy: 1.1188215596753415
Energy: 0.9034920882739715
Energy: 1.1188215596743312

minimum gb energy = 0.8813109152445665 eV
minimum distance =  2.25980430603715 Angstroms
sigma value = 41


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

Energy: 1.1089995096957008
Energy: 1.1115107413039582
Energy: 1.4988886871500033
Energy: 1.1115107413172092
Energy: 1.4346884840455298
Energy: 1.0993050671624378
Energy: 0.822428594553715
Energy: 1.0993050671624378
Energy: 0.8489173588355842
Energy: 1.0937036765740447
Energy: 1.4506087101151839
Energy: 1.0937036765740447
Energy: 1.1041333715750576
Energy: 1.1008477869818858
Energy: 0.8227101287831039
Energy: 1.1008477869843702
Energy: 0.816922783487899
Energy: 1.1284895137858304
Energy: 0.8862051609215129
Energy: 1.1284895137866584
Energy: 0.9597106867213595
Energy: 1.098589427607905
Energy: 0.8225642863243169
Energy: 1.0985894276087331
Energy: 0.821431808052005
Energy: 1.0980154326797746
Energy: 0.8809533187783141
Energy: 1.0980154326822593
Energy: 0.8056672159970469
Energy: 0.9806931075063898
Energy: 0.8179762124663776
Energy: 0.9806931075063898
Energy: 0.8255841566990995
Energy: 0.9794337005206971
Energy: 1.2479137743949056
Energy: 0.9794337005173844
Energy: 0.8149089045455984
Energy: 1.093404263058112
Energy: 0.8501701774576338
Energy: 1.0934042630572836
Energy: 0.8216444560713931
Energy: 1.0991601556612896
Energy: 1.2675570727324226
Energy: 1.0991601556604613
Energy: 0.811350987005834
Energy: 1.1109190649285394
Energy: 1.1094731572024823
Energy: 1.110919064927711
Energy: 0.8258758630536205
Energy: 0.9825923199838261
Energy: 1.3583451512670413
Energy: 0.9825923198737537
Energy: 1.046946593648244
Energy: 0.9450549824097484
Energy: 0.8502023364672117
Energy: 0.9450549824080919
Energy: 0.8216004870584294
Energy: 1.09990950687551
Energy: 1.0892113723044288
Energy: 1.0999095068746818
Energy: 1.0312504092995547
Energy: 1.1555117526196645
Energy: 0.8180132767488253
Energy: 1.1555117526204928
Energy: 0.8257411512097942
Energy: 0.9829398866913058
Energy: 1.0366203020857834
Energy: 0.9829398866383022
Energy: 1.0287444955847236
Energy: 0.9450563033001461
Energy: 0.8229287473461513
Energy: 0.9450563033026306
Energy: 0.8214978920422675
Energy: 0.9813332297532714
Energy: 0.8060194600662294
Energy: 0.9813332297516151
Energy: 1.030639081679583
Energy: 0.9786454319713149
Energy: 0.8256439550635605
Energy: 0.9786454319713149
Energy: 0.8535478878235608
Energy: 0.8498215217767473
Energy: 0.8089291311283952
Energy: 0.849821521775091
Energy: 1.2684389244173955
Energy: 0.8739958219657338
Energy: 0.8227883002258644
Energy: 0.8739958219640774
Energy: 1.112952239446107
Energy: 1.1110333831686896
Energy: 0.8108901848387936
Energy: 1.1110333831670334
Energy: 1.1114736315788327
Energy: 0.9822533057641557
Energy: 0.8254743077238798
Energy: 0.9822533057641557
Energy: 0.8535724947016105
Energy: 0.9452406562333687
Energy: 0.8194582396689707
Energy: 0.9452406562358532
Energy: 1.090394622851347
Energy: 0.872858557908405
Energy: 0.8225945034322405
Energy: 0.8728585579100615
Energy: 0.8217012128870788
Energy: 1.155753482128979
Energy: 1.0315695789295651
Energy: 1.155753482128979
Energy: 0.8173016830034576
Energy: 0.9864235811281005
Energy: 0.8259825045196564
Energy: 0.9864235811272722
Energy: 0.825586793098316
Energy: 0.945246661297538
Energy: 1.0281439362809341
Energy: 0.945246661297538
Energy: 0.8055056258163211
Energy: 1.0266865874317286
Energy: 0.8260804234887358
Energy: 1.0266865877404885
Energy: 0.8297415896123659
Energy: 0.9785609370470929
Energy: 1.0307196285616314
Energy: 0.9785609370470929
Energy: 0.8094667170297599
Energy: 0.8500126034603233
Energy: 0.8589318808254484
Energy: 0.8500126034603233

minimum gb energy = 0.8055056258163211 eV
minimum distance =  2.27772205192202 Angstroms
sigma value = 15


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

Energy: 1.0175640688017888
Energy: 0.7781236041818783
Energy: 0.7693500297431831
Energy: 0.77812360418258
Energy: 1.415468106887793
Energy: 0.8828850868130552
Energy: 0.7745556368897586
Energy: 0.8828850866706976
Energy: 0.8023809368513377
Energy: 0.9937571517042619
Energy: 1.3676777936720501
Energy: 0.9937571517028587
Energy: 1.1379338368000085
Energy: 0.8865781146102399
Energy: 0.7742991155375537
Energy: 0.8865781147357596
Energy: 0.7708642541455615
Energy: 0.8614591123430453
Energy: 0.7540527824808219
Energy: 0.8614591123388358
Energy: 0.9933917644425202
Energy: 0.8876868443570293
Energy: 0.7746717349278734
Energy: 0.8876868443956163
Energy: 0.7736448413444713
Energy: 1.0053126718825633
Energy: 0.8070616911807243
Energy: 1.0053126718825633
Energy: 0.8753115746050674
Energy: 1.0055472445494624
Energy: 0.7744012412972519
Energy: 1.005547244548059
Energy: 0.7765872875131516
Energy: 0.790513804683567
Energy: 0.9846013980017102
Energy: 0.7905138046856719
Energy: 0.7458182326094047
Energy: 0.7723296931442402
Energy: 0.7715350934750568
Energy: 0.7723296931442402
Energy: 0.7738730154391993
Energy: 0.8830489876941159
Energy: 1.1722600537110903
Energy: 0.883048987661843
Energy: 0.7500437681612124
Energy: 0.9953109190511693
Energy: 0.802905335533393
Energy: 0.995310919051871
Energy: 0.7765861719373304
Energy: 0.7896194027933959
Energy: 1.3537001438133016
Energy: 0.7896194027856783
Energy: 0.7490550209361085
Energy: 0.7733863819589617
Energy: 1.0171020630638266
Energy: 0.7733863819589617
Energy: 0.7739105829314671
Energy: 0.8829727380046793
Energy: 1.2949090793287281
Energy: 0.8829726936415131
Energy: 0.9541327108416808
Energy: 0.9952257664469131
Energy: 0.8033256090724752
Energy: 0.9952257664455099
Energy: 0.7763366535261428
Energy: 0.7882899450638099
Energy: 1.1362205023054914
Energy: 0.788289945065213
Energy: 0.9397179310333075
Energy: 0.8589131524948133
Energy: 0.7716339401590118
Energy: 0.8589131524948133
Energy: 0.7737053456894077
Energy: 0.8825552310959426
Energy: 0.9956043684702622
Energy: 0.8825552310966442
Energy: 0.9386976828578428
Energy: 1.0358029377294018
Energy: 0.7747797594968063
Energy: 1.0358029377301035
Energy: 0.7765853505647501
Energy: 0.9099905303594942
Energy: 0.8775608613484177
Energy: 0.9099905303587925
Energy: 0.937100441815763
Energy: 0.7867230668627465
Energy: 0.7800763983011743
Energy: 0.7867230668606418
Energy: 0.7737408062940577
Energy: 0.7720611464929422
Energy: 0.7453958771795512
Energy: 0.7720611464936439
Energy: 1.1757337601853002
Energy: 0.8848897220270303
Energy: 0.774713189192341
Energy: 0.8848897221406868
Energy: 0.805002671085057
Energy: 0.8037612471562365
Energy: 0.7519778506940562
Energy: 0.8037612471562365
Energy: 1.1731088096922448
Energy: 0.7869143903362855
Energy: 0.7800407706843782
Energy: 0.7869143903348823
Energy: 1.0191081180808979
Energy: 0.7721197437854175
Energy: 0.7491953492607024
Energy: 0.7721197437854175
Energy: 1.2896847377268843
Energy: 0.8823099828865024
Energy: 0.7745592065396425
Energy: 0.8823099829544923
Energy: 0.8050031159039909
Energy: 0.8844014195888137
Energy: 0.7528681034733703
Energy: 0.8844014195874107
Energy: 1.0003294484233405
Energy: 0.7873552533383569
Energy: 0.779853753270775
Energy: 0.7873552533397599
Energy: 0.7738588770553378
Energy: 0.8554281778652683
Energy: 0.9395120653497959
Energy: 0.8554281778659698
Energy: 0.9844282502249837
Energy: 0.8824457993643436
Energy: 0.7744854944465099
Energy: 0.8824457993643436
Energy: 0.7768549892690497
Energy: 0.8852927919102558
Energy: 0.9378019612409987
Energy: 0.8852927919102558
Energy: 0.7523751976355798
Energy: 0.9109033732263645
Energy: 0.7799140326448587
Energy: 0.9109033732207519
Energy: 0.7633790509004121
Energy: 0.8587076040023092
Energy: 0.9360267901009649
Energy: 0.8587076040023092
Energy: 0.7450819541069026
Energy: 0.7718102816303627
Energy: 0.7775665811632309
Energy: 0.7718102816261532
Energy: 0.776787807446985
Energy: 0.805449325773618
Energy: 1.1780558147043463
Energy: 0.805449325773618

minimum gb energy = 0.7450819541069026 eV
minimum distance =  2.27326511686378 Angstroms
sigma value = 85


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

Energy: 0.9677489913232666
Energy: 0.7552474972738668
Energy: 0.6891447164335552
Energy: 0.7552474972738668
Energy: 1.389403998279532
Energy: 0.8345172380460182
Energy: 0.7103783623113341
Energy: 0.8345172712241129
Energy: 0.9220698079878656
Energy: 0.9222426733134038
Energy: 0.8569456393301929
Energy: 0.9222426733134038
Energy: 1.1447033071896067
Energy: 0.8346212994527218
Energy: 0.7100234250684452
Energy: 0.8346212994448116
Energy: 0.7482370542362774
Energy: 0.8917478341753636
Energy: 0.672537537391085
Energy: 0.8917478341753636
Energy: 1.0144116753726815
Energy: 0.9569112138079421
Energy: 0.7101563240317073
Energy: 0.956911213808523
Energy: 0.7066774925353498
Energy: 0.9435835531344214
Energy: 0.777553691584979
Energy: 0.9435835531338128
Energy: 0.8868153699881711
Energy: 0.8345157222526896
Energy: 0.7099550630314272
Energy: 0.834515722238086
Energy: 0.7092848249612547
Energy: 0.9049817080184226
Energy: 0.8782510057892748
Energy: 0.9049817080196396
Energy: 0.7846066572153965
Energy: 0.9436726707229061
Energy: 0.7075589646373066
Energy: 0.9436726707229061
Energy: 0.7118193578288757
Energy: 0.9546272053903223
Energy: 0.9794228123371342
Energy: 0.9546272053897137
Energy: 0.6725023104836342
Energy: 0.7479744490106113
Energy: 0.7489015386120704
Energy: 0.7479744490093942
Energy: 0.7097729905441476
Energy: 0.9054664004095643
Energy: 1.1640025473232642
Energy: 0.9054664004101729
Energy: 0.6770606240922213
Energy: 0.923110777351901
Energy: 0.9229874131492959
Energy: 0.923110777351901
Energy: 0.7105888227703274
Energy: 0.8347391404985715
Energy: 1.261346939984844
Energy: 0.8347391404991799
Energy: 0.6750157166721502
Energy: 0.7551054770847051
Energy: 0.9683029263109451
Energy: 0.7551054770847051
Energy: 0.7097438838392924
Energy: 0.9053773373462812
Energy: 1.2609989763868688
Energy: 0.9053773373462812
Energy: 0.8581238142739914
Energy: 0.923489875596907
Energy: 0.9228246276546868
Energy: 0.9234898755962986
Energy: 0.7098976131881441
Energy: 0.8347215221447607
Energy: 1.1439787930804366
Energy: 0.8347215221106856
Energy: 0.840560686569463
Energy: 0.870389991625523
Energy: 0.7491356537169968
Energy: 0.8703899916273484
Energy: 0.7093798217637944
Energy: 0.9053706405764234
Energy: 1.0139800797492475
Energy: 0.9053706405764234
Energy: 0.8404633730342075
Energy: 0.9551471427474111
Energy: 0.7076958264183849
Energy: 0.9551471427468026
Energy: 0.7100328123821019
Energy: 0.8344272944974239
Energy: 0.8787340240445067
Energy: 0.8344272943295374
Energy: 0.8442061760942003
Energy: 1.0059484310288964
Energy: 0.7101544605124234
Energy: 1.0059484310295048
Energy: 0.7093871766338722
Energy: 0.8352376020772778
Energy: 0.7842716555724016
Energy: 0.8352376020772778
Energy: 1.0455786785376984
Energy: 0.8348037947488117
Energy: 0.7106530695174694
Energy: 0.8348037947500285
Energy: 0.7511827158794476
Energy: 0.7478384083470452
Energy: 0.6730274775601627
Energy: 0.7478384083476536
Energy: 1.0494785018180992
Energy: 0.8885118426981213
Energy: 0.7102643232269588
Energy: 0.8885118426981213
Energy: 0.9245318335016736
Energy: 0.923664454217605
Energy: 0.6769741762046414
Energy: 0.9236644542182134
Energy: 1.2612009166045792
Energy: 0.8345918235750408
Energy: 0.7106577431987015
Energy: 0.8345918235762578
Energy: 0.9706243127756962
Energy: 0.866718393448059
Energy: 0.675307634049044
Energy: 0.8667183934486675
Energy: 1.1649445887506555
Energy: 0.8894866640645115
Energy: 0.7099987878690485
Energy: 0.88948666406512
Energy: 0.9249524680248348
Energy: 0.9234891464475046
Energy: 0.6861646886316867
Energy: 0.9234891464481131
Energy: 1.1439668505020308
Energy: 0.8343607610797493
Energy: 0.7107289940166757
Energy: 0.8343607610730561
Energy: 0.7508931365471675
Energy: 0.7475983238475157
Energy: 0.8408540120583449
Energy: 0.7475983238481243
Energy: 0.8909651886212439
Energy: 0.7736300656445924
Energy: 0.7102233663527656
Energy: 0.7736300656445924
Energy: 0.709404253724865
Energy: 0.9547133914561754
Energy: 0.8404379117522359
Energy: 0.954713391455567
Energy: 0.8766191622080559
Energy: 0.8353248083754843
Energy: 0.7104266490932695
Energy: 0.8353248083760927
Energy: 0.7104172963924867
Energy: 0.7477279258345721
Energy: 0.8441549778534184
Energy: 0.7477279258363976
Energy: 0.6809947021650801
Energy: 0.8846847797190099
Energy: 0.7065654287333412
Energy: 0.8846847797196185
Energy: 0.7090736486015883
Energy: 0.8344604772525854
Energy: 1.0444649209178152
Energy: 0.8344604772525854
Energy: 0.6742218094357812
Energy: 0.7476800346663602
Energy: 0.7507045095362016
Energy: 0.7476800346687942
Energy: 0.7101049642047336
Energy: 0.7479206762179708
Energy: 1.048931095217922
Energy: 0.7479206762167537

minimum gb energy = 0.6725023104836342 eV
minimum distance =  2.28795935250869 Angstroms
sigma value = 113


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

Energy: 0.02053626559574785
Energy: 0.021305662119785806
Energy: 0.9546771839556872
Energy: 0.021305662118434467
Energy: 0.9538654676793409
Energy: 0.42821868261857243
Energy: 0.4284595778703703
Energy: 0.428218682619508
Energy: 0.02053626559574785
Energy: 0.021305662119318034
Energy: 0.9546771839565709
Energy: 0.021305662118434467
Energy: 0.9538654676798086
Energy: 0.42821868261904017
Energy: 0.4284595778703703
Energy: 0.428218682619508
Energy: 0.02053626559574785
Energy: 0.021305662119785806
Energy: 0.9546771839570386
Energy: 0.021305662118434467
Energy: 0.9538654676793409
Energy: 0.42821868261857243
Energy: 0.4284595778703703
Energy: 0.42821868261904017

minimum gb energy = 0.02053626559574785 eV
minimum distance =  2.48058605290113 Angstroms
sigma value = 1