Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978306984
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.018146767621021437
Energy: 1.220911038961632
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 1.220911038961632
Energy: 1.4668546970617613
Energy: 1.220911038961632
Energy: 1.466854697061431
Energy: 1.220911038961632
Energy: 1.4668546970624223
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 0.01814676762069093
Energy: 1.2209110389619624
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 1.220911038961632
Energy: 1.4668546970611005
Energy: 1.220911038961632
Energy: 1.466854697062092
Energy: 1.2209110389619624
Energy: 1.466854697061431
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 0.018146767621021437
Energy: 1.2209110389619624
Energy: 0.018146767621021437
Energy: 1.220911038961632
Energy: 1.220911038961632
Energy: 1.4668546970611005
Energy: 1.2209110389619624
Energy: 1.4668546970594847
Energy: 1.220911038961632
Energy: 1.466854697061431

minimum gb energy = 0.01814676762069093 eV
minimum distance =  2.36839512839062 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.574869404681432
Energy: 1.5089381032044922
Energy: 1.574869404681432
Energy: 1.5089381032036966
Energy: 1.574869404681432
Energy: 1.5089381032044922
Energy: 1.7444373944259652
Energy: 1.4074960005516342
Energy: 1.7444373944243738
Energy: 1.4074960005516342
Energy: 1.7444373944251697
Energy: 1.4074960005516342
Energy: 1.5544159684779226
Energy: 1.5820068644209517
Energy: 1.554415968492243
Energy: 1.5820068644201564
Energy: 1.554415968485083
Energy: 1.5820068644209517
Energy: 1.6507306182152277
Energy: 1.4858718686191392
Energy: 1.6507306182152277
Energy: 1.485871868619935
Energy: 1.6507306182160233
Energy: 1.485871868619935
Energy: 1.5051829715846876
Energy: 1.6531338629725962
Energy: 1.5051829715846876
Energy: 1.6531338629725962
Energy: 1.5051829715846876
Energy: 1.6531338629725962
Energy: 1.623600099238735
Energy: 1.441277369171221
Energy: 1.6236000992379396
Energy: 1.4412773691720167
Energy: 1.6236000992395307
Energy: 1.441277369171221
Energy: 1.4535544336570871
Energy: 1.5467399943373112
Energy: 1.4535544336578827
Energy: 1.5467399943381068
Energy: 1.4535544336578827
Energy: 1.5467399943381068
Energy: 1.4538044424871746
Energy: 1.6776795987988167
Energy: 1.4538044424879701
Energy: 1.6776795987980209
Energy: 1.4538044424879701
Energy: 1.6776795987996123
Energy: 1.6106130902410178
Energy: 1.546113441161225
Energy: 1.6106130902418132
Energy: 1.5461134411604294
Energy: 1.6106130902410178
Energy: 1.546113441161225
Energy: 1.3886941409901754
Energy: 1.6561001925606817
Energy: 1.3886941409893796
Energy: 1.6561001925606817
Energy: 1.3886941409901754
Energy: 1.6561001925606817
Energy: 1.5875277125948535
Energy: 1.4391440232661419
Energy: 1.5875277125940581
Energy: 1.4391440232661419
Energy: 1.5875277125948535
Energy: 1.4391440232669375
Energy: 1.367739231978127
Energy: 1.8966923341791346
Energy: 1.3677392319765358
Energy: 1.8966923341783388
Energy: 1.3677392319773316
Energy: 1.8966923341783388
Energy: 1.6952930181886046
Energy: 1.3535398341248335
Energy: 1.6952930181901953
Energy: 1.3535398341248335
Energy: 1.6952930181886046
Energy: 1.3535398341248335
Energy: 1.4608744916904843
Energy: 1.489192539286379
Energy: 1.4608744916896887
Energy: 1.489192539286379
Energy: 1.4608744916896887
Energy: 1.489192539286379
Energy: 1.7711583119748358
Energy: 1.4012535766568985
Energy: 1.77115831197404
Energy: 1.4012535766568985
Energy: 1.77115831197404
Energy: 1.4012535766568985
Energy: 1.7652795732164774
Energy: 1.599780654589722
Energy: 1.7652795732172728
Energy: 1.599780654589722
Energy: 1.7652795732172728
Energy: 1.599780654589722
Energy: 1.5319949444734338
Energy: 1.5455679780458382
Energy: 1.5319949444734338
Energy: 1.5455679780458382
Energy: 1.5319949444734338
Energy: 1.5455679780458382
Energy: 1.5349402673813553
Energy: 1.4718474397774408
Energy: 1.5349402673813553
Energy: 1.4718474397766452
Energy: 1.5349402673805594
Energy: 1.4718474397766452
Energy: 1.5325171095036105
Energy: 1.4815159334478671
Energy: 1.5325171095044061
Energy: 1.4815159334478671
Energy: 1.5325171095044061
Energy: 1.4815159334470716
Energy: 1.6017147552059887
Energy: 1.4401903756721406
Energy: 1.6017147552075799
Energy: 1.4401903756721406
Energy: 1.6017147552067843
Energy: 1.4401903756721406
Energy: 1.4201837525668863
Energy: 1.91025881347063
Energy: 1.4201837525676821
Energy: 1.9102588134698348
Energy: 1.4201837525668863
Energy: 1.91025881347063
Energy: 1.5967766291012657
Energy: 1.549444073467153
Energy: 1.5967766291004704
Energy: 1.549444073467153
Energy: 1.5967766291012657
Energy: 1.5494440734663575
Energy: 1.3900272621617762
Energy: 1.695097071137549
Energy: 1.3900272621625718
Energy: 1.695097071137549
Energy: 1.3900272621625718
Energy: 1.695097071136754

minimum gb energy = 1.3535398341248335 eV
minimum distance =  2.25204368579139 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6639712025625153
Energy: 1.6754442663091882
Energy: 1.5593876505502309
Energy: 1.6754442663060205
Energy: 1.6639712025620625
Energy: 1.6754442663078306
Energy: 1.6705848715001004
Energy: 1.4950947363165803
Energy: 1.670584871500553
Energy: 1.4950947363165803
Energy: 1.670584871500553
Energy: 1.4950947363156752
Energy: 1.4553867890079097
Energy: 1.4849125335174462
Energy: 1.455386789005195
Energy: 1.4849125335174462
Energy: 1.4553867890074577
Energy: 1.4849125335174462
Energy: 1.722162776958307
Energy: 1.6626608626162342
Energy: 1.7221627769587595
Energy: 1.6626608626166866
Energy: 1.722162776958307
Energy: 1.6626608626162342
Energy: 1.556759478986246
Energy: 1.5691889250604847
Energy: 1.5567594789876034
Energy: 1.5691889250595799
Energy: 1.556759478986246
Energy: 1.5691889250595799
Energy: 1.5211919397243958
Energy: 1.4402857664820785
Energy: 1.5211919397253009
Energy: 1.4402857664820785
Energy: 1.5211919397243958
Energy: 1.4402857664820785
Energy: 1.6874848722764246
Energy: 1.56031786303019
Energy: 1.6874848722773295
Energy: 1.56031786303019
Energy: 1.6874848722768772
Energy: 1.5603178630297374
Energy: 1.3554200724037162
Energy: 1.664492433149391
Energy: 1.3554200724037162
Energy: 1.664492433149391
Energy: 1.3554200724037162
Energy: 1.6644924331498439
Energy: 1.4173109710838034
Energy: 1.4385609445616945
Energy: 1.417310971085161
Energy: 1.4385609445616945
Energy: 1.4173109710838034
Energy: 1.4385609445616945
Energy: 1.422463232263644
Energy: 1.7128145577489602
Energy: 1.4225063844116477
Energy: 1.7128145577480551
Energy: 1.4224632322640964
Energy: 1.7128145577485077
Energy: 1.8187282510915475
Energy: 1.439823942442663
Energy: 1.8187282510906422
Energy: 1.439823942442663
Energy: 1.8187282510919998
Energy: 1.4398239424435681
Energy: 1.4389349629718868
Energy: 1.5498502052715097
Energy: 1.438937175308862
Energy: 1.5498502052715097
Energy: 1.4389349629723396
Energy: 1.5498502052715097
Energy: 1.55986918665251
Energy: 1.439823109981349
Energy: 1.6647192303814842
Energy: 1.4398231099818015
Energy: 1.5598691866520575
Energy: 1.4398231099818015
Energy: 1.5595098661413023
Energy: 1.679503132746086
Energy: 1.664120489904594
Energy: 1.6795031327465386
Energy: 1.5595098661413023
Energy: 1.6795031327456333
Energy: 1.5663662060916355
Energy: 1.4855945889801014
Energy: 1.5663662060916355
Energy: 1.4855945889801014
Energy: 1.5663662060911834
Energy: 1.485594588979649
Energy: 1.4379445443643024
Energy: 1.4940849408678292
Energy: 1.4379445443638497
Energy: 1.4940849408673766
Energy: 1.4379445443643024
Energy: 1.4940849408682815
Energy: 1.7659538168434223
Energy: 1.5910655216595344
Energy: 1.76595381684659
Energy: 1.5910655216599459
Energy: 1.7659538168434223
Energy: 1.5910655216595344
Energy: 1.556303909004566
Energy: 1.4380593314270658
Energy: 1.5563039090023034
Energy: 1.4380593314270658
Energy: 1.5563039090036608
Energy: 1.4380593314270658
Energy: 1.5237862304815137
Energy: 1.4956352082972388
Energy: 1.5237862304824188
Energy: 1.495635208296334
Energy: 1.5237862304810612
Energy: 1.4956352082967863
Energy: 1.6801872154010848
Energy: 1.564034110620276
Energy: 1.6801872154024424
Energy: 1.564034110620276
Energy: 1.6801872154010848
Energy: 1.564034110620276
Energy: 1.3734833620812505
Energy: 1.6652256007393045
Energy: 1.3734833620798932
Energy: 1.6652256007393045
Energy: 1.3734833620807978
Energy: 1.6652256007393045
Energy: 1.483185487334002
Energy: 1.4570911912913027
Energy: 1.483185487334002
Energy: 1.4570911912913027
Energy: 1.483185487334002
Energy: 1.4570911912908502
Energy: 1.4221223650673944
Energy: 1.7147325527760082
Energy: 1.4221338672221184
Energy: 1.7147325527751034
Energy: 1.422122365066942
Energy: 1.714732552774651
Energy: 1.7294868391858154
Energy: 1.5577248882964894
Energy: 1.7294868391233686
Energy: 1.5577248882969417
Energy: 1.729486839153687
Energy: 1.5577248882955843
Energy: 1.4555693978410653
Energy: 1.5208215012938682
Energy: 1.4552626298505393
Energy: 1.5208215012925106
Energy: 1.4555693978410653
Energy: 1.5208215012943207
Energy: 1.6645999850837014
Energy: 1.6381233030663516
Energy: 1.560073939796903
Energy: 1.6381233030668043
Energy: 1.6645999850846063
Energy: 1.638123303064994
Energy: 1.66469114453109
Energy: 1.5958013674564753
Energy: 1.5617890887366295
Energy: 1.5958013674555702
Energy: 1.66469114453109
Energy: 1.5958013674560227
Energy: 1.4377991335259248
Energy: 1.483714156514911
Energy: 1.437799133527735
Energy: 1.4837141565144587
Energy: 1.4377991335254723
Energy: 1.4837141565144587
Energy: 1.7119402367728083
Energy: 1.4704257901855131
Energy: 1.7119402367723555
Energy: 1.4704257901855131
Energy: 1.7119402367728083
Energy: 1.4704257901855131
Energy: 1.4338844618827982
Energy: 1.8379582674472215
Energy: 1.4338844618832505
Energy: 1.8379582674472215
Energy: 1.4338844618827982
Energy: 1.837958267446769
Energy: 1.5563005664721394
Energy: 1.4389409872184469
Energy: 1.5563005664716871
Energy: 1.4389409872184469
Energy: 1.5563005664721394
Energy: 1.4389409872184469
Energy: 1.460412319475309
Energy: 1.5616252126287415
Energy: 1.4604123194766663
Energy: 1.5616252126305517
Energy: 1.460412319475309
Energy: 1.5616252126291938
Energy: 1.6754532158707112
Energy: 1.5638135792142827
Energy: 1.675453215871164
Energy: 1.5638135792147352
Energy: 1.6754532158707112
Energy: 1.5638135792142827
Energy: 1.4965439126388282
Energy: 1.5648763684356293
Energy: 1.4965439126415434
Energy: 1.5648763684347242
Energy: 1.4965439126392808
Energy: 1.5648763684351767
Energy: 1.4923420305125816
Energy: 1.4400720049475868
Energy: 1.4923420305130342
Energy: 1.4400720049471345
Energy: 1.4923420305130342
Energy: 1.440072004945777
Energy: 1.6640563367571208
Energy: 1.7180487415805419
Energy: 1.6640563367571208
Energy: 1.7180487415809946
Energy: 1.6640563367571208
Energy: 1.7180487415809946
Energy: 1.4392109010540715
Energy: 1.5565114632470711
Energy: 1.4392857816596323
Energy: 1.5565114632475237
Energy: 1.439210901054524
Energy: 1.5565114632484287
Energy: 1.495661485550165
Energy: 1.5212746502796335
Energy: 1.4903314264671135
Energy: 1.521274650280086
Energy: 1.495661485550165
Energy: 1.521274650280086
Energy: 1.5593845334231144
Energy: 1.6814831918911397
Energy: 1.6644552615202841
Energy: 1.6814831918911397
Energy: 1.559384533422662
Energy: 1.6814831918911397
Energy: 1.6643384903735976
Energy: 1.3532298451072091
Energy: 1.6643384903740501
Energy: 1.3532298451076614
Energy: 1.6643384903726925
Energy: 1.3532298451085667
Energy: 1.4392234784136342
Energy: 1.4162967880936046
Energy: 1.439223478412729
Energy: 1.4162967880936046
Energy: 1.4392234784136342
Energy: 1.416296788094057

minimum gb energy = 1.3532298451072091 eV
minimum distance =  2.34157350464437 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.549507868962712
Energy: 1.5768008668651148
Energy: 1.549507868962712
Energy: 1.5768008668651148
Energy: 1.549507868962712
Energy: 1.5768008668640663
Energy: 1.6678397436300436
Energy: 1.5164555234069959
Energy: 1.6678397436289953
Energy: 1.5164555234059474
Energy: 1.6678397436289953
Energy: 1.5164555234069959
Energy: 1.4828988894399338
Energy: 1.555987304523527
Energy: 1.4828988894399338
Energy: 1.555987304523527
Energy: 1.4828988894399338
Energy: 1.555987304523527
Energy: 1.539333683243154
Energy: 1.4030821415956258
Energy: 1.539333683243154
Energy: 1.4030821415956258
Energy: 1.539333683243154
Energy: 1.4030821415956258
Energy: 1.6036017409560321
Energy: 1.5000212665963006
Energy: 1.6036017409560321
Energy: 1.5000212665963006
Energy: 1.6036017409539352
Energy: 1.5000212665963006
Energy: 1.6023136633681232
Energy: 1.500112852728385
Energy: 1.6023136633670747
Energy: 1.500112852728385
Energy: 1.6023136633670747
Energy: 1.500112852728385
Energy: 1.5490383713178901
Energy: 1.4994332076383452
Energy: 1.5490383713178901
Energy: 1.499433207639394
Energy: 1.5490383713178901
Energy: 1.499433207639394
Energy: 1.442012932594048
Energy: 1.5005023938079831
Energy: 1.4420129325929998
Energy: 1.5005023938079831
Energy: 1.4420129325929998
Energy: 1.5005023938079831
Energy: 1.7763791869952128
Energy: 1.4028920068375677
Energy: 1.7763791869941647
Energy: 1.4028920068375677
Energy: 1.7763791869952128
Energy: 1.4028920068375677
Energy: 1.4318879717912216
Energy: 1.7664271224259152
Energy: 1.4318879717922703
Energy: 1.7664271224259152
Energy: 1.4318879717922703
Energy: 1.7664271224259152
Energy: 1.661970143392583
Energy: 1.4010924892067835
Energy: 1.6619701433936314
Energy: 1.401092489207832
Energy: 1.661970143392583
Energy: 1.4010924892067835
Energy: 1.5468535367735656
Energy: 1.579754983853988
Energy: 1.5468535367735656
Energy: 1.5797549838550362
Energy: 1.5468535367746143
Energy: 1.5797549838550362
Energy: 1.670670573777635
Energy: 1.513452271594316
Energy: 1.670670573777635
Energy: 1.513452271594316
Energy: 1.670670573777635
Energy: 1.513452271594316
Energy: 1.4832609173152616
Energy: 1.4709060111662293
Energy: 1.4832609173152616
Energy: 1.470906011165181
Energy: 1.48326091731631
Energy: 1.470906011165181
Energy: 1.5782683869775371
Energy: 1.5488411279478929
Energy: 1.5782683869775371
Energy: 1.5488411279478929
Energy: 1.5782683869775371
Energy: 1.5488411279468444
Energy: 1.587707806385213
Energy: 1.4998833462361616
Energy: 1.5877078063862613
Energy: 1.4998833462361616
Energy: 1.5877078063862613
Energy: 1.4998833462361616
Energy: 1.6021629033131952
Energy: 1.6194140385320324
Energy: 1.6021629033121467
Energy: 1.6194140385341294
Energy: 1.6021629033131952
Energy: 1.6194140385320324
Energy: 1.5475074751973217
Energy: 1.4995556097085958
Energy: 1.5475074751973217
Energy: 1.4995556097085958
Energy: 1.5475074751973217
Energy: 1.4995556097085958

minimum gb energy = 1.4010924892067835 eV
minimum distance =  2.25585339620666 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.3654313704924947
Energy: 1.4081670907931685
Energy: 1.3093713772440976
Energy: 1.4081670907931685
Energy: 1.3654313704924947
Energy: 1.4081670907937907
Energy: 1.5548418193155153
Energy: 1.5786358724204343
Energy: 1.5548418193155153
Energy: 1.5786358724204343
Energy: 1.5548418193155153
Energy: 1.578635872421056
Energy: 1.3112759682653128
Energy: 1.5645688518087317
Energy: 1.3112759682659347
Energy: 1.564568851809354
Energy: 1.3112759682653128
Energy: 1.5645688518068661
Energy: 1.4535108693825045
Energy: 1.3111126429177862
Energy: 1.4535108693825045
Energy: 1.3111126429177862
Energy: 1.4535108693825045
Energy: 1.3111126429177862
Energy: 1.3582497131034996
Energy: 1.3066938377437636
Energy: 1.3582497131022557
Energy: 1.3066938377431414
Energy: 1.3582497131034996
Energy: 1.3066938377418975
Energy: 1.2889691731152286
Energy: 1.3067810499972847
Energy: 1.2889691731152286
Energy: 1.3067810499972847
Energy: 1.2889691731146067
Energy: 1.3067810499966628
Energy: 1.3870706831157618
Energy: 1.3112226746748794
Energy: 1.3870706831157618
Energy: 1.3112226746748794
Energy: 1.3870706831157618
Energy: 1.3112226746742577
Energy: 1.3111954873477427
Energy: 1.6498204412614776
Energy: 1.3111942814469557
Energy: 1.6498204412620994
Energy: 1.3111954873477427
Energy: 1.6498204412596116
Energy: 1.4973375764068861
Energy: 1.5977679959042843
Energy: 1.497337576407508
Energy: 1.5977679959042843
Energy: 1.4973375764068861
Energy: 1.5977679959036621
Energy: 1.3093713772440976
Energy: 1.4081670907944126
Energy: 1.3093713772440976
Energy: 1.4081670907944126
Energy: 1.3093713772440976
Energy: 1.4081670907944126
Energy: 1.5548418193155153
Energy: 1.5786358724204343
Energy: 1.5548418193155153
Energy: 1.5786358724204343
Energy: 1.5548418193161373
Energy: 1.578635872421056
Energy: 1.3112759682653128
Energy: 1.564568851809354
Energy: 1.3112759682653128
Energy: 1.5645688518087317
Energy: 1.3112759682653128
Energy: 1.56456885180811
Energy: 1.4535108693831262
Energy: 1.3111088438294192
Energy: 1.4535108693831262
Energy: 1.3111088438294192
Energy: 1.4535108693831262
Energy: 1.3111088438306628
Energy: 1.3582497131034996
Energy: 1.3066938377443853
Energy: 1.3582497131028777
Energy: 1.3066938377443853
Energy: 1.3582497131034996
Energy: 1.3066938377431414
Energy: 1.2889691731146067
Energy: 1.3067810499966628
Energy: 1.2889691731146067
Energy: 1.3067810499966628
Energy: 1.2889691731139845
Energy: 1.3067810499960408
Energy: 1.3870706831157618
Energy: 1.3112226746748794
Energy: 1.3870706831157618
Energy: 1.3112226746755014
Energy: 1.3870706831157618
Energy: 1.3112226746742577
Energy: 1.3112356593975498
Energy: 1.6498204412608557
Energy: 1.3112125756934492
Energy: 1.6498204412608557
Energy: 1.3112356593975498
Energy: 1.6498204412596116
Energy: 1.5016564993857227
Energy: 1.5977679959055282
Energy: 1.4973375764087518
Energy: 1.5977679959055282
Energy: 1.5016564993857227
Energy: 1.5977679959049063
Energy: 1.3654313704931165
Energy: 1.4081670907944126
Energy: 1.3093713772440976
Energy: 1.4081670907944126
Energy: 1.3654313704931165
Energy: 1.4081670907944126
Energy: 1.5548418193142712
Energy: 1.5786358724198124
Energy: 1.5548418193148934
Energy: 1.5786358724198124
Energy: 1.5548418193148934
Energy: 1.578635872421056
Energy: 1.3112759682646908
Energy: 1.5645688518087317
Energy: 1.3112759682646908
Energy: 1.56456885180811
Energy: 1.3112759682646908
Energy: 1.564568851807488
Energy: 1.4535108693825045
Energy: 1.311112642916542
Energy: 1.4535108693831262
Energy: 1.311112642916542
Energy: 1.4535108693825045
Energy: 1.3111126429177862
Energy: 1.3582497131028777
Energy: 1.3066938377431414
Energy: 1.3582497131022557
Energy: 1.3066938377431414
Energy: 1.3582497131028777
Energy: 1.3066938377418975
Energy: 1.2889691731139845
Energy: 1.3067810499972847
Energy: 1.2889691731152286
Energy: 1.3067810499972847
Energy: 1.2889691731139845
Energy: 1.3067810499966628
Energy: 1.3870706831163835
Energy: 1.3112226746755014
Energy: 1.3870706831163835
Energy: 1.3112226746755014
Energy: 1.3870706831163835
Energy: 1.3112226746748794
Energy: 1.3111954873477427
Energy: 1.6498204412614776
Energy: 1.3111942814463335
Energy: 1.6498204412620994
Energy: 1.3111954873477427
Energy: 1.6498204412596116
Energy: 1.497337576407508
Energy: 1.5977679959049063
Energy: 1.4973375764087518
Energy: 1.5977679959055282
Energy: 1.4973375764081296
Energy: 1.5977679959055282
Energy: 1.3093713772434756
Energy: 1.4081670907931685
Energy: 1.3093713772447193
Energy: 1.4081670907931685
Energy: 1.3093713772440976
Energy: 1.4081670907944126
Energy: 1.5548418193142712
Energy: 1.5786358724198124
Energy: 1.5548418193148934
Energy: 1.5786358724198124
Energy: 1.5548418193148934
Energy: 1.578635872421056
Energy: 1.3112759682659347
Energy: 1.564568851809354
Energy: 1.3112759682659347
Energy: 1.564568851809354
Energy: 1.3112759682659347
Energy: 1.564568851807488

minimum gb energy = 1.2889691731139845 eV
minimum distance =  2.26365389535078 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.281246414911273
Energy: 1.2424518916177116
Energy: 1.2812464149097498
Energy: 1.2424518916177116
Energy: 1.2812464149097498
Energy: 1.2424518916177116
Energy: 1.6545522970482684
Energy: 1.2861799849733002
Energy: 1.6545522970482684
Energy: 1.2861799849733002
Energy: 1.6545522970482684
Energy: 1.2861799849733002
Energy: 1.355731480900155
Energy: 1.4336822171776122
Energy: 1.2056024704960115
Energy: 1.4336822171776122
Energy: 1.355731480900155
Energy: 1.4336822171776122
Energy: 1.4029841489581196
Energy: 1.2062025142552766
Energy: 1.4029841489581196
Energy: 1.2062025142552766
Energy: 1.4029841489581196
Energy: 1.2062025142552766
Energy: 1.6451067086048519
Energy: 1.2066171605461191
Energy: 1.6451067086048519
Energy: 1.2066171605461191
Energy: 1.6451067086048519
Energy: 1.2066171605461191
Energy: 1.4408089260665577
Energy: 1.4977696810199463
Energy: 1.4408089260665577
Energy: 1.4977696810199463
Energy: 1.4408089260665577
Energy: 1.4977696810199463
Energy: 1.207603551507726
Energy: 1.2884572551013576
Energy: 1.207603551507726
Energy: 1.2884572551013576
Energy: 1.2076035515092494
Energy: 1.2884572551013576
Energy: 1.2770704983691792
Energy: 1.248715495820635
Energy: 1.2770704983707029
Energy: 1.248715495820635
Energy: 1.2770704983691792
Energy: 1.248715495820635
Energy: 1.619617094763407
Energy: 1.3263702753024746
Energy: 1.619617094763407
Energy: 1.326370278723994
Energy: 1.619617094763407
Energy: 1.3263702832449111
Energy: 1.3840896998776786
Energy: 1.4435640414137527
Energy: 1.3840896998776786
Energy: 1.4435640414122293
Energy: 1.3840896998776786
Energy: 1.4435640414137527
Energy: 1.3410481624166108
Energy: 1.2068511739056493
Energy: 1.341048162418134
Energy: 1.2068511739056493
Energy: 1.3410481624166108
Energy: 1.2068511739056493
Energy: 1.4963496571962287
Energy: 1.3663460355238632
Energy: 1.4963496571977521
Energy: 1.3663460355238632
Energy: 1.4963496571962287
Energy: 1.3663460355238632

minimum gb energy = 1.2056024704960115 eV
minimum distance =  2.24682153816761 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.242367332278986
Energy: 1.2659184435442896
Energy: 1.242367332278986
Energy: 1.2659184435442896
Energy: 1.242367332278986
Energy: 1.2659184435438617
Energy: 1.2987388163722258
Energy: 1.1412619397358554
Energy: 1.2987388163688014
Energy: 1.20344785435414
Energy: 1.2987388163713698
Energy: 1.20344785435414
Energy: 1.1342950259819826
Energy: 1.3483038430222187
Energy: 1.1342950259811266
Energy: 1.3483038430187944
Energy: 1.1342950259824107
Energy: 1.3483038430226468
Energy: 1.1251215085227204
Energy: 1.0949412332720867
Energy: 1.1251215085222928
Energy: 1.0949412332720867
Energy: 1.1251215085231485
Energy: 1.0949412332720867
Energy: 1.2230622556135073
Energy: 1.1708831415133285
Energy: 1.2230622556117952
Energy: 1.1708831415141847
Energy: 1.2230622556130792
Energy: 1.1708831415137568
Energy: 1.219041857944045
Energy: 1.2509003042299827
Energy: 1.219041857947469
Energy: 1.2260977076516466
Energy: 1.219041857946185
Energy: 1.2260977076520747
Energy: 1.151521491529564
Energy: 1.2731959984838501
Energy: 1.151521491529564
Energy: 1.2731959984838501
Energy: 1.1515214915291356
Energy: 1.2731959984842782
Energy: 1.0672375247828132
Energy: 1.314914610796161
Energy: 1.0672375247832415
Energy: 1.3149146107957328
Energy: 1.0672375247832415
Energy: 1.3149146107965888
Energy: 1.245077623151017
Energy: 1.170993795744827
Energy: 1.245077623149733
Energy: 1.1709937957443988
Energy: 1.245077623149733
Energy: 1.1709937957439707
Energy: 1.2265852517873335
Energy: 1.5657882180162845
Energy: 1.2265852517873335
Energy: 1.5657882180158564
Energy: 1.2265852517873335
Energy: 1.5657882180154283
Energy: 1.1288535241729063
Energy: 1.1000232674297323
Energy: 1.1288535241733344
Energy: 1.1000232674301607
Energy: 1.12885352417205
Energy: 1.1000232674293045
Energy: 1.1612451131727046
Energy: 1.3028128639240504
Energy: 1.1612451131714205
Energy: 1.3028128639210539
Energy: 1.1612451131714205
Energy: 1.302812863922338
Energy: 1.1903226746374627
Energy: 1.2084490984224987
Energy: 1.1903226746374627
Energy: 1.2084490984224987
Energy: 1.1903226746378908
Energy: 1.2084490984220708
Energy: 1.2388365905684706
Energy: 1.5960358113902309
Energy: 1.2388365905688987
Energy: 1.596035811389375
Energy: 1.2388365905671865
Energy: 1.5960358113885185
Energy: 1.1123490921305041
Energy: 1.2333132586077122
Energy: 1.1123490921309322
Energy: 1.233313258607284
Energy: 1.1123490921305041
Energy: 1.2333132586077122
Energy: 1.1360739957286803
Energy: 1.1526093943307565
Energy: 1.1360739957282522
Energy: 1.1526093943307565
Energy: 1.1360739957291084
Energy: 1.1526093943299003
Energy: 1.4510175062331099
Energy: 1.09459414300491
Energy: 1.4510175062322537
Energy: 1.0945941430040542
Energy: 1.4510175062322537
Energy: 1.0945941430053383
Energy: 1.1241518077313701
Energy: 1.1721075299232264
Energy: 1.1241518077305142
Energy: 1.1721075299257944
Energy: 1.1241518077305142
Energy: 1.1721075299249384
Energy: 1.063364858304055
Energy: 1.5187249528910889
Energy: 1.0633648583036268
Energy: 1.518724952891517
Energy: 1.0633648583044828
Energy: 1.518724952891517
Energy: 1.563096504106546
Energy: 1.3472297499276906
Energy: 1.5630965041078302
Energy: 1.3771617002669818
Energy: 1.563096504107402
Energy: 1.3771617002691219
Energy: 1.06333403329578
Energy: 1.5265931438117089
Energy: 1.0633340332944956
Energy: 1.5265931438117089
Energy: 1.06333403329578
Energy: 1.5265931438121367
Energy: 1.1243393744750845
Energy: 1.172280755192256
Energy: 1.1243393744742285
Energy: 1.1722807551926842
Energy: 1.1243393744763686
Energy: 1.172280755192256
Energy: 1.4507576835721792
Energy: 1.094506035551257
Energy: 1.4507576835713232
Energy: 1.094506035551685
Energy: 1.4507576835713232
Energy: 1.0945060355508676
Energy: 1.1360493301333086
Energy: 1.2150242035564902
Energy: 1.1360493301337367
Energy: 1.2150242035556345
Energy: 1.1360493301333086
Energy: 1.2150242035560623
Energy: 1.1122969405701726
Energy: 1.2333368267885187
Energy: 1.1122969405701726
Energy: 1.2333368267880909
Energy: 1.1122969405701726
Energy: 1.2333368267889466
Energy: 1.239156328138854
Energy: 1.3503508117124325
Energy: 1.239156328138854
Energy: 1.3503508117128604
Energy: 1.239156328137998
Energy: 1.3503508117120042
Energy: 1.1887943721548369
Energy: 1.2079909371624926
Energy: 1.1887943721539809
Energy: 1.2079909371624926
Energy: 1.1887943721539809
Energy: 1.2079909371624926
Energy: 1.1613212340913979
Energy: 1.1786467559715257
Energy: 1.1613212340905417
Energy: 1.1786467559719538
Energy: 1.161321234091826
Energy: 1.1786467559715257
Energy: 1.12883073025111
Energy: 1.0999401537410831
Energy: 1.1288307302532503
Energy: 1.0999401537410831
Energy: 1.1288307302515381
Energy: 1.099940153740655
Energy: 1.2257378244200627
Energy: 1.3210020088347618
Energy: 1.2257378244200627
Energy: 1.3210020088386143
Energy: 1.2257378244200627
Energy: 1.321002008836474
Energy: 1.2456146361473193
Energy: 1.1715563755996368
Energy: 1.2456146361511713
Energy: 1.1715563755970684
Energy: 1.2456146361473193
Energy: 1.1715563755996368
Energy: 1.0673946632227378
Energy: 1.3149868868635348
Energy: 1.067394663223166
Energy: 1.314986886864391
Energy: 1.0673946632227378
Energy: 1.3149868868639627
Energy: 1.1517203300995464
Energy: 1.2724616460675693
Energy: 1.1517203301004026
Energy: 1.2724616460679972
Energy: 1.1517203300986907
Energy: 1.2724616460679972
Energy: 1.2191953240302702
Energy: 1.2197120814404057
Energy: 1.2191953240311264
Energy: 1.2197120814404057
Energy: 1.2191953240298423
Energy: 1.2197120814404057
Energy: 1.2230377508659986
Energy: 1.1712508103076258
Energy: 1.2230377508659986
Energy: 1.1712508103071977
Energy: 1.2230377508659986
Energy: 1.1712508103071977
Energy: 1.1251780289736577
Energy: 1.0947479824639654
Energy: 1.1251780289766538
Energy: 1.0947479824639654
Energy: 1.1251780289749416
Energy: 1.094747982464393
Energy: 1.1343599709046372
Energy: 1.3485644000384756
Energy: 1.1343599709054935
Energy: 1.3485644000393318
Energy: 1.1343599709046372
Energy: 1.3485644000397596
Energy: 1.2990905834226163
Energy: 1.1851374519635562
Energy: 1.2990905834260407
Energy: 1.1851374519635562
Energy: 1.2990905834247566
Energy: 1.1851374519631284
Energy: 1.242367332278558
Energy: 1.2659184435442896
Energy: 1.242367332278558
Energy: 1.265918443544718
Energy: 1.2423673322794142
Energy: 1.2659184435442896
Energy: 1.2987388163726539
Energy: 1.20344785435414
Energy: 1.2987388163717974
Energy: 1.20344785435414
Energy: 1.2987388163722258
Energy: 1.2034478543537122
Energy: 1.1342950259803095
Energy: 1.3483038430179384
Energy: 1.1342950259798816
Energy: 1.3483038430166543
Energy: 1.1342950259811266
Energy: 1.3483038430187944
Energy: 1.1251215085222928
Energy: 1.0949412332733708
Energy: 1.1251215085227204
Energy: 1.0949412332737989
Energy: 1.1251215085222928
Energy: 1.0949412332729427
Energy: 1.2230622556130792
Energy: 1.1708831415124727
Energy: 1.2230622556126511
Energy: 1.1708831415120444
Energy: 1.2230622556130792
Energy: 1.1708831415124727

minimum gb energy = 1.0633340332944956 eV
minimum distance =  2.31332241879614 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6839966571167488
Energy: 0.6733158652674218
Energy: 0.535819172440972
Energy: 0.6733158652674218
Energy: 0.6839966571167488
Energy: 0.6733158652683963
Energy: 0.822906878261229
Energy: 0.6803686857872127
Energy: 0.8229068782622034
Energy: 0.6803686857872127
Energy: 0.8229068782622034
Energy: 0.6803686857872127
Energy: 0.7298796837605779
Energy: 1.327083378498441
Energy: 0.7298796837615522
Energy: 1.327083378498441
Energy: 0.7298796837605779
Energy: 1.327083378498441
Energy: 0.6747418081414307
Energy: 0.5355039239681076
Energy: 0.674741808142405
Energy: 0.5355039239681076
Energy: 0.6747418081414307
Energy: 0.5355039239681076
Energy: 0.6942116763302536
Energy: 0.8279429766138647
Energy: 0.6942116763302536
Energy: 0.8279429766128904
Energy: 0.6942116763292793
Energy: 0.8279429766128904
Energy: 0.5356698990439032
Energy: 0.7302565673290441
Energy: 0.5356698990448775
Energy: 0.7302565673290441
Energy: 0.5356698990439032
Energy: 0.7302565673280698
Energy: 0.5356808874297382
Energy: 0.6045862072964311
Energy: 0.5356808874307126
Energy: 0.6045862072964311
Energy: 0.5356808874297382
Energy: 0.6045862072964311
Energy: 0.8232862733227918
Energy: 0.7004567447769461
Energy: 0.8232862733218174
Energy: 0.7004567447769461
Energy: 0.8232862733227918
Energy: 0.7004567447769461
Energy: 0.6749426536344764
Energy: 0.5355026949592638
Energy: 0.6749426536354508
Energy: 0.5355026949592638
Energy: 0.6749426536344764
Energy: 0.5355026949592638
Energy: 0.6043860667617468
Energy: 0.8220009601648967
Energy: 0.6043860667617468
Energy: 0.8220009601648967
Energy: 0.6043860667607724
Energy: 0.8220009601658711
Energy: 0.6940490260825749
Energy: 0.872775159851641
Energy: 0.6940490260845237
Energy: 0.8727751598506666
Energy: 0.6940490260825749
Energy: 0.8727751598487179
Energy: 0.6839966571167488
Energy: 0.6733158652683963
Energy: 0.535819172440972
Energy: 0.6733158652683963
Energy: 0.6839966571167488
Energy: 0.6733158652683963
Energy: 0.8229068782602545
Energy: 0.6803686857862384
Energy: 0.822906878261229
Energy: 0.6803686857872127
Energy: 0.822906878261229
Energy: 0.6803686857862384
Energy: 0.7298796837596035
Energy: 1.3270833784974667
Energy: 0.7298796837596035
Energy: 1.327083378498441
Energy: 0.7298796837596035
Energy: 1.3270833784994154
Energy: 0.6747418081414307
Energy: 0.5355039239681076
Energy: 0.674741808142405
Energy: 0.5355039239690821
Energy: 0.6747418081414307
Energy: 0.5355039239681076
Energy: 0.6942116763292793
Energy: 0.8279429766119162
Energy: 0.6942116763292793
Energy: 0.8279429766119162
Energy: 0.6942116763292793
Energy: 0.8279429766119162
Energy: 0.5356698990429288
Energy: 0.7302565673270953
Energy: 0.5356698990448775
Energy: 0.7302565673270953
Energy: 0.5356698990429288
Energy: 0.7302565673280698
Energy: 0.5356808874297382
Energy: 0.6045862072974054
Energy: 0.5356808874307126
Energy: 0.6045862072974054
Energy: 0.535680887428764
Energy: 0.6045862072964311
Energy: 0.8232862733227918
Energy: 0.7004567447769461
Energy: 0.8232862733218174
Energy: 0.7004567447769461
Energy: 0.8232862733227918
Energy: 0.7004567447779205

minimum gb energy = 0.5355026949592638 eV
minimum distance =  2.40705827917367 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.1103202102290863
Energy: 1.165777689334012
Energy: 1.1103202102298
Energy: 1.1657776893354395
Energy: 1.1103202102298
Energy: 1.1657776893361531
Energy: 1.2645771735408262
Energy: 1.1553580102100995
Energy: 1.2645771735408262
Energy: 1.1553580102108132
Energy: 1.2645771735401126
Energy: 1.1553580102108132
Energy: 1.322558928052616
Energy: 1.62443587735351
Energy: 1.3791175907784534
Energy: 1.6244358773527963
Energy: 1.3426155725228972
Energy: 1.6244358773527963
Energy: 1.3635220195600102
Energy: 0.9938106851867942
Energy: 1.3635220195600102
Energy: 0.9938106851860805
Energy: 1.3635220195600102
Energy: 0.9938106851860805
Energy: 1.1335187706137788
Energy: 0.9367687838146735
Energy: 1.1335187706130652
Energy: 0.9367687838146735
Energy: 1.1335187706130652
Energy: 0.9367687838146735
Energy: 1.1234345375900414
Energy: 1.0663515245484454
Energy: 1.1234345375893278
Energy: 1.0663515245470179
Energy: 1.1234345375900414
Energy: 1.0663515245484454
Energy: 0.9658987097148346
Energy: 1.3350419991074418
Energy: 0.9658987097148346
Energy: 1.3350419991088693
Energy: 0.9658987097162619
Energy: 1.335041999109583
Energy: 1.1735126629809731
Energy: 0.9046755171165195
Energy: 1.1735126629816868
Energy: 0.9046755171165195
Energy: 1.1735126629795454
Energy: 0.9046755171165195
Energy: 1.170045293441933
Energy: 0.9207122775041409
Energy: 1.1700452934412193
Energy: 0.9207122775034272
Energy: 1.1700452934412193
Energy: 0.9207122775041409
Energy: 0.9245503201115134
Energy: 1.4423642252491515
Energy: 0.9245503201107996
Energy: 1.4423642252491515
Energy: 0.924550320112227
Energy: 1.4423642252491515
Energy: 1.1467244159054215
Energy: 1.4271250601657837
Energy: 1.1467244159068488
Energy: 1.4271250601657837
Energy: 1.1467244159068488
Energy: 1.4271250601657837
Energy: 1.1353859981953434
Energy: 0.9369313656728568
Energy: 1.135385998193916
Energy: 0.9369313656728568
Energy: 1.1353859981946297
Energy: 0.9369313656728568
Energy: 1.2021764813247606
Energy: 0.9995379983563416
Energy: 1.202176481324047
Energy: 0.9995379983577691
Energy: 1.2021764813247606
Energy: 0.9995379983577691
Energy: 1.2739958826636166
Energy: 1.5921216845574762
Energy: 1.2739958826650442
Energy: 1.5921216845574762
Energy: 1.2739958826636166
Energy: 1.5921216845574762
Energy: 1.2412737824292526
Energy: 1.1546396996294188
Energy: 1.2412737824299664
Energy: 1.1546396996287047
Energy: 1.2412737824292526
Energy: 1.1546396996287047
Energy: 1.0218971542339783
Energy: 1.1659817536324415
Energy: 1.0218971542346271
Energy: 1.1659817536317278
Energy: 1.0218971542346271
Energy: 1.1659817536310142
Energy: 1.047585601687084
Energy: 1.1340577778109806
Energy: 1.047585601687084
Energy: 1.134057777811694
Energy: 1.0475856016856564
Energy: 1.1340577778109806
Energy: 1.4557410474948416
Energy: 1.5527372972178155
Energy: 1.4557410474948416
Energy: 1.5527372972178155
Energy: 1.4557410474955552
Energy: 1.5527372972178155
Energy: 1.3588619031496576
Energy: 0.9894026894263498
Energy: 1.3588619031489437
Energy: 0.9894026894263498
Energy: 1.3588619031496576
Energy: 0.9894026894263498
Energy: 1.1349077717773777
Energy: 1.0684116906019974
Energy: 1.1349077717780913
Energy: 1.0684116906019974
Energy: 1.1349077717773777
Energy: 1.0684116906019974
Energy: 0.9261767723212702
Energy: 1.0677250200092414
Energy: 0.9261767723212702
Energy: 1.0677250200092414
Energy: 0.9261767723212702
Energy: 1.0677250200092414
Energy: 1.2213145086487285
Energy: 1.335458545907835
Energy: 1.2213145086480148
Energy: 1.335458545907835
Energy: 1.2213145086487285
Energy: 1.3354585459071213
Energy: 1.1967415350193231
Energy: 1.092910581417487
Energy: 1.1967415350193231
Energy: 1.092910581417487
Energy: 1.1967415350193231
Energy: 1.0929105814182007
Energy: 1.1706493610654722
Energy: 1.0342102240106796
Energy: 1.1706493610647588
Energy: 1.0342102240113933
Energy: 1.1706493610661861
Energy: 1.0342102240113933
Energy: 0.9260232174407762
Energy: 1.4025056967998253
Energy: 0.9260232174422037
Energy: 1.402505696800539
Energy: 0.9260232174414901
Energy: 1.4025056967991114
Energy: 1.6402499022318242
Energy: 1.4294145766184039
Energy: 1.6402499022332513
Energy: 1.4294145766184039
Energy: 1.6402499022318242
Energy: 1.4294145766184039

minimum gb energy = 0.9046755171165195 eV
minimum distance =  2.30017202146135 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.2608390676990815
Energy: 1.0945718647389842
Energy: 1.2608390676996442
Energy: 1.0945718647389842
Energy: 1.2608390676990815
Energy: 1.0945718647384217
Energy: 1.3201169957253758
Energy: 1.351660479705909
Energy: 1.3201169957248133
Energy: 1.351660479705909
Energy: 1.3201169957259382
Energy: 1.351660479705909
Energy: 1.6096942382765498
Energy: 1.8453661292383658
Energy: 1.6096942382771122
Energy: 1.8453661292383658
Energy: 1.6096942382765498
Energy: 1.8453661292383658
Energy: 1.2771035942838098
Energy: 1.0434942807190128
Energy: 1.2771035942832474
Energy: 1.043494280720138
Energy: 1.2771035942838098
Energy: 1.0434942807195753
Energy: 1.0112211802999058
Energy: 1.0938356900565458
Energy: 1.0112211802999058
Energy: 1.0938356900559831
Energy: 1.0112211802993432
Energy: 1.0938356900559831
Energy: 1.2930359647244065
Energy: 1.27634495074368
Energy: 1.2930359647244065
Energy: 1.2763449507431173
Energy: 1.2930359647244065
Energy: 1.2763449507431173
Energy: 1.0516685745141654
Energy: 1.4399458485011183
Energy: 1.0516685745141654
Energy: 1.4399458485011183
Energy: 1.0516685745141654
Energy: 1.4399458485011183
Energy: 1.0302579470474376
Energy: 1.0437865712925336
Energy: 1.0302579470474376
Energy: 1.0437865712925336
Energy: 1.0302579470480002
Energy: 1.043786571293096
Energy: 1.0228079516541466
Energy: 1.069907754921541
Energy: 1.0228079516535844
Energy: 1.0699077549209783
Energy: 1.0228079516535844
Energy: 1.069907754921541
Energy: 1.1313860982740007
Energy: 1.5633881865246002
Energy: 1.131386098272313
Energy: 1.5633881865246002
Energy: 1.131386098272313
Energy: 1.5633881865246002
Energy: 1.1342239331086905
Energy: 1.5582727045337406
Energy: 1.134223933109253
Energy: 1.5582727045331781
Energy: 1.134223933109253
Energy: 1.5582727045337406
Energy: 1.032913004635158
Energy: 1.2167336703937104
Energy: 1.032913004635158
Energy: 1.2167336703937104
Energy: 1.032913004635158
Energy: 1.2167336703937104
Energy: 1.0213724805166116
Energy: 1.0659611048196562
Energy: 1.021372480517174
Energy: 1.0659611048190938
Energy: 1.021372480517174
Energy: 1.0659611048190938
Energy: 0.9795515044056406
Energy: 1.450824394717042
Energy: 0.9795515044056406
Energy: 1.4508243947198547
Energy: 0.9795515044056406
Energy: 1.4508243947187298
Energy: 1.2883069309147541
Energy: 1.2761882752328042
Energy: 1.2883069309147541
Energy: 1.2761882752328042
Energy: 1.2883069309153166
Energy: 1.2761882752322415
Energy: 1.0197454418577545
Energy: 1.2145642086814923
Energy: 1.0197454418577545
Energy: 1.2145642086831796
Energy: 1.019745441857192
Energy: 1.2145642086809296
Energy: 1.0432805525141347
Energy: 1.0662445021481435
Energy: 1.0432805525141347
Energy: 1.0662445021481435
Energy: 1.0432805525135722
Energy: 1.0662445021481435
Energy: 1.3717741678874933
Energy: 1.844674905113636
Energy: 1.3717741678874933
Energy: 1.844674905113636
Energy: 1.3717741678869306
Energy: 1.844674905113636
Energy: 1.35475624174167
Energy: 1.3472512364373295
Energy: 1.3547562417405448
Energy: 1.3472512364373295
Energy: 1.3547562417405448
Energy: 1.3472512364373295
Energy: 1.1315204299193669
Energy: 1.3880069119254772
Energy: 1.1315204299188044
Energy: 1.3880069119254772
Energy: 1.1315204299188044
Energy: 1.3880069119254772
Energy: 1.0236792278051112
Energy: 1.353446643091776
Energy: 1.0236792278051112
Energy: 1.353446643091776
Energy: 1.0236792278045486
Energy: 1.353446643091776
Energy: 1.60864277987753
Energy: 1.6755434970676963
Energy: 1.6086427798769676
Energy: 1.6755434970682588
Energy: 1.6086427798769676
Energy: 1.6755434970727594
Energy: 1.2210710622896819
Energy: 1.0406926156221443
Energy: 1.2210710622891192
Energy: 1.0406926156227072
Energy: 1.2210710622902443
Energy: 1.0406926156221443
Energy: 1.019626186154369
Energy: 1.3819019341566399
Energy: 1.019626186154369
Energy: 1.3819019341566399
Energy: 1.0196261861538065
Energy: 1.3819019341566399
Energy: 0.9797290014246561
Energy: 1.4262630367849753
Energy: 0.9797290014246561
Energy: 1.4262630367849753
Energy: 0.9797290014246561
Energy: 1.4262630367849753
Energy: 1.0516965572315586
Energy: 1.051645445726029
Energy: 1.051696557232121
Energy: 1.0516454457254663
Energy: 1.0516965572315586
Energy: 1.0516454457265916
Energy: 1.0213284056872938
Energy: 1.041118913907971
Energy: 1.0213284056867311
Energy: 1.041118913907971
Energy: 1.0213284056872938
Energy: 1.041118913907971
Energy: 1.0226021007297899
Energy: 1.3529741237176778
Energy: 1.0226021007303523
Energy: 1.3529741237176778
Energy: 1.0226021007297899
Energy: 1.3529741237176778
Energy: 1.1315424642567937
Energy: 1.3860977834003423
Energy: 1.1315424642551573
Energy: 1.3860977834003423
Energy: 1.1315424642557197
Energy: 1.3860977834003423
Energy: 1.242503713370931
Energy: 0.9786522002498766
Energy: 1.2425037133619299
Energy: 0.9786522002493141
Energy: 1.242503713372056
Energy: 0.9786522002498766
Energy: 1.0070346151402685
Energy: 1.2122585720518464
Energy: 1.0070346151402685
Energy: 1.2122585720518464
Energy: 1.0070346151397058
Energy: 1.2122585720518464
Energy: 1.0547723630482908
Energy: 1.0651528783084865
Energy: 1.0547723630482908
Energy: 1.065152878307924
Energy: 1.0547723630482908
Energy: 1.065152878307924
Energy: 0.988060973089649
Energy: 1.2413182157089229
Energy: 0.988060973089649
Energy: 1.2413182157094855
Energy: 0.988060973089649
Energy: 1.2413182157089229

minimum gb energy = 0.9786522002493141 eV
minimum distance =  2.34074872931218 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.195340062949616
Energy: 1.1190347719703888
Energy: 1.1953400629483957
Energy: 1.1190347719703888
Energy: 1.195340062949185
Energy: 1.1190347719703888
Energy: 1.233376233814778
Energy: 1.0588738122177495
Energy: 1.233376233814778
Energy: 1.0588738122173906
Energy: 1.233376233815209
Energy: 1.0588738122177495
Energy: 1.4657724402596934
Energy: 1.2980211670063582
Energy: 1.4657724402581143
Energy: 1.2980211670067168
Energy: 1.4657724402589039
Energy: 1.2980211670043482
Energy: 1.145256901536188
Energy: 1.0755212754549672
Energy: 1.145256901535829
Energy: 1.075521275455757
Energy: 1.14525690153425
Energy: 1.075521275455757
Energy: 1.1079017991213709
Energy: 1.074739455314956
Energy: 1.1079017991221605
Energy: 1.0747394553165355
Energy: 1.1079017991221605
Energy: 1.0747394553110081
Energy: 1.4559121796316583
Energy: 1.1079562817176005
Energy: 1.4559121796305097
Energy: 1.1079562817176005
Energy: 1.4559121796316583
Energy: 1.1079562817176005
Energy: 1.126596000071858
Energy: 1.2483824939116674
Energy: 1.126596000071858
Energy: 1.2483824939159742
Energy: 1.1265960000710684
Energy: 1.2483824939156154
Energy: 1.18041695987745
Energy: 1.2146626982813187
Energy: 1.18041695987745
Energy: 1.2146626982813187
Energy: 1.1804169598770913
Energy: 1.2146626982813187
Energy: 1.137802713201054
Energy: 1.1221154011853514
Energy: 1.1378027131982544
Energy: 1.1221154011853514
Energy: 1.1378027132026334
Energy: 1.1221154011857106
Energy: 1.5098363420114471
Energy: 1.0977754729451563
Energy: 1.5098363420118779
Energy: 1.0977754729443667
Energy: 1.509836342013816
Energy: 1.097775472944008
Energy: 1.1791412608978935
Energy: 1.180187571307477
Energy: 1.1791412608974632
Energy: 1.180187571307836
Energy: 1.1791412608974632
Energy: 1.180187571307477
Energy: 1.696952171039661
Energy: 1.0751925211936992
Energy: 1.6969521710400917
Energy: 1.0751925211929096
Energy: 1.6969521710393018
Energy: 1.0751925211932687
Energy: 1.1283562785611227
Energy: 1.140496098305911
Energy: 1.1283562785607637
Energy: 1.1404960983043317
Energy: 1.1283562785603332
Energy: 1.1404960983027526
Energy: 1.2250566167481491
Energy: 1.1822275235985058
Energy: 1.2250566167485795
Energy: 1.182227523598147
Energy: 1.2250566167497283
Energy: 1.182227523598147
Energy: 1.2140461623353465
Energy: 1.1271114392284283
Energy: 1.2140461623341978
Energy: 1.1271114392284283
Energy: 1.2140461623326186
Energy: 1.1271114392284283
Energy: 1.1325730576850068
Energy: 1.4579880146115283
Energy: 1.1325730576853659
Energy: 1.4579880146115283
Energy: 1.1325730576853659
Energy: 1.457988014611959
Energy: 1.4030203617335808
Energy: 1.1033651574105543
Energy: 1.403020361729202
Energy: 1.1033651574109848
Energy: 1.4030203617335808
Energy: 1.1033651574113439
Energy: 1.0711182274859692
Energy: 1.1491796367039593
Energy: 1.0711182274855389
Energy: 1.149179636704318
Energy: 1.0711182274863285
Energy: 1.1491796367039593
Energy: 1.507436827975675
Energy: 1.4614767911107522
Energy: 1.5074368279764645
Energy: 1.4614767911099626
Energy: 1.5074368279760337
Energy: 1.4614767911099626
Energy: 1.6794431697108674
Energy: 1.1261072079983088
Energy: 1.6794431697108674
Energy: 1.1261072079986678
Energy: 1.6794431697112266
Energy: 1.1261072079978782
Energy: 1.1151633174653357
Energy: 1.1958726096320211
Energy: 1.1151633174656943
Energy: 1.1958726096324517
Energy: 1.1151633174649047
Energy: 1.1958726096320211
Energy: 1.0559610794441476
Energy: 1.2391113899441757
Energy: 1.0559610794429992
Energy: 1.2391113899437447
Energy: 1.055961079443358
Energy: 1.239111389942955
Energy: 1.214719083292812
Energy: 1.3904675021886683
Energy: 1.2147190832908021
Energy: 1.3904675021886683
Energy: 1.214719083292812
Energy: 1.3904675021883093
Energy: 1.1044611548403376
Energy: 1.4376285621564808
Energy: 1.104461154839548
Energy: 1.4376285621576292
Energy: 1.1044611548403376
Energy: 1.4376285621568397
Energy: 1.0811771344717793
Energy: 1.1035922420736082
Energy: 1.0811771344721384
Energy: 1.1035922420731774
Energy: 1.081177134472569
Energy: 1.103592242073967
Energy: 1.1065284626533012
Energy: 1.4552286221530613
Energy: 1.1065284626512912
Energy: 1.4552286221522717
Energy: 1.1065284626520808
Energy: 1.455228622153492
Energy: 1.2349685848742602
Energy: 1.1295712471995591
Energy: 1.2349685848750498
Energy: 1.1295712471995591
Energy: 1.2349685848758396
Energy: 1.129571247199918
Energy: 1.1906199420388865
Energy: 1.0820756935476277
Energy: 1.1906199420373074
Energy: 1.0820756935479867
Energy: 1.190619942037738
Energy: 1.0820756935476277
Energy: 1.1237040052622504
Energy: 1.1393092262282503
Energy: 1.1237040052614609
Energy: 1.1393092262270301
Energy: 1.1237040052606713
Energy: 1.1393092262246614
Energy: 1.0908433070280388
Energy: 1.5077903878837025
Energy: 1.0908433070272492
Energy: 1.5077903878837025
Energy: 1.0908433070272492
Energy: 1.5077903878829129
Energy: 1.1465379550217565
Energy: 1.070545881725461
Energy: 1.1465379550233357
Energy: 1.070545881725461
Energy: 1.1465379550225463
Energy: 1.070545881725461
Energy: 1.1043288124324704
Energy: 1.6990047483942554
Energy: 1.1043288124324704
Energy: 1.6990047483942554
Energy: 1.10432881243326
Energy: 1.6990047483942554
Energy: 1.6804920895062565
Energy: 1.1307335535029908
Energy: 1.6804920895058977
Energy: 1.1307335535029908
Energy: 1.6804920895062565
Energy: 1.1307335535029908
Energy: 1.1786668015529362
Energy: 1.2166135198624344
Energy: 1.1786668015529362
Energy: 1.2166135198628651
Energy: 1.1786668015529362
Energy: 1.2166135198624344
Energy: 1.1784585874026792
Energy: 1.2166625149915473
Energy: 1.1784585874018896
Energy: 1.2166625149919064
Energy: 1.1784585874023203
Energy: 1.216662514992337
Energy: 1.6801037557966776
Energy: 1.1307202124277282
Energy: 1.6801037557966776
Energy: 1.1307202124285176
Energy: 1.680103755797467
Energy: 1.1307202124285176
Energy: 1.1044343811456865
Energy: 1.698924974392096
Energy: 1.104434381146117
Energy: 1.698924974392096
Energy: 1.1044343811456865
Energy: 1.6989249743924546
Energy: 1.14698073385034
Energy: 1.0708106198612763
Energy: 1.1469807338519191
Energy: 1.0708106198612763
Energy: 1.14698073385034
Energy: 1.0708106198612763
Energy: 1.090782017837619
Energy: 1.5081444905289196
Energy: 1.0907820178371885
Energy: 1.5081444905304988
Energy: 1.0907820178371885
Energy: 1.5081444905289196
Energy: 1.1237738257904684
Energy: 1.1393242049775245
Energy: 1.1237738257912577
Energy: 1.139324205052106
Energy: 1.1237738257908987
Energy: 1.1393242049877894
Energy: 1.1906378445068002
Energy: 1.072730691775564
Energy: 1.1906378445063692
Energy: 1.072730691775564
Energy: 1.1906378445068002
Energy: 1.072730691775205
Energy: 1.2345966108039619
Energy: 1.129485000440928
Energy: 1.2345966108035316
Energy: 1.1294850004405692
Energy: 1.2345966108039619
Energy: 1.129485000440928
Energy: 1.1064004319686787
Energy: 1.4551177790377785
Energy: 1.1064004319698988
Energy: 1.4551177790377785
Energy: 1.1064004319686787
Energy: 1.455117779036989
Energy: 1.0743711024102374
Energy: 1.1035390622449812
Energy: 1.0743711024149751
Energy: 1.10353906224534
Energy: 1.0743711024200715
Energy: 1.1035390622449812
Energy: 1.1045152680622485
Energy: 1.437727661273427
Energy: 1.1045152680622485
Energy: 1.4377276612729966
Energy: 1.1045152680618178
Energy: 1.437727661273427
Energy: 1.2150562508581222
Energy: 1.3901855927689766
Energy: 1.2150562508576914
Energy: 1.3901855927689766
Energy: 1.2150562508581222
Energy: 1.3901855927693354
Energy: 1.056249659279585
Energy: 1.238495950286608
Energy: 1.0562496592792263
Energy: 1.2384959502858184
Energy: 1.0562496592792263
Energy: 1.238495950286608

minimum gb energy = 1.0559610794429992 eV
minimum distance =  2.32373493351723 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.6841087263945624
Energy: 1.4351986391985827
Energy: 1.6841087263945624
Energy: 1.4351986391985827
Energy: 1.6841087263945624
Energy: 1.4351986391985827
Energy: 1.1047965421500652
Energy: 1.0850288633357792
Energy: 1.1047965421474264
Energy: 1.0850288633357792
Energy: 1.1047965421500652
Energy: 1.0850288633357792
Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1841330542967061
Energy: 1.1175785111542038
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.1047578384877426
Energy: 1.0850240399763613
Energy: 1.059892701389133
Energy: 1.4351986391985827
Energy: 1.059892701389133
Energy: 1.4351986391985827
Energy: 1.059892701389133
Energy: 1.4351986391985827

minimum gb energy = 1.059892701389133 eV
minimum distance =  2.34067767578353 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.6823443533601172
Energy: 1.2684269968151802
Energy: 1.6823443533601172
Energy: 1.2684269968151802
Energy: 1.6823443533601172
Energy: 1.2684269968151802
Energy: 1.3901413883609859
Energy: 1.2371421850389823
Energy: 1.3901413883609859
Energy: 1.2371421850389823
Energy: 1.3901413883609859
Energy: 1.2371421850389823
Energy: 1.2766752969797999
Energy: 1.606732571033132
Energy: 1.2766752969797999
Energy: 1.606732571033132
Energy: 1.2766752969797999
Energy: 1.606732571033132
Energy: 1.4858373199283461
Energy: 1.1833352361962464
Energy: 1.4858373199247554
Energy: 1.1833352361962464
Energy: 1.4858373199247554
Energy: 1.1833352361962464
Energy: 1.346981212318578
Energy: 1.427803604377348
Energy: 1.346981212318578
Energy: 1.427803604377348
Energy: 1.346981212318578
Energy: 1.427803604377348
Energy: 1.2705647110951885
Energy: 1.3976621390423623
Energy: 1.2705647110951885
Energy: 1.3976621390423623
Energy: 1.2705647110951885
Energy: 1.3976621390423623
Energy: 1.4413106614398248
Energy: 1.5736743984581145
Energy: 1.4413106614362343
Energy: 1.5736743984581145
Energy: 1.4413106614398248
Energy: 1.5736743984581145
Energy: 1.4475926210422736
Energy: 1.296134683540104
Energy: 1.4475926210386827
Energy: 1.296134683540104
Energy: 1.4475926210386827
Energy: 1.296134683540104
Energy: 1.2664829962496154
Energy: 1.340460349014595
Energy: 1.266482996253206
Energy: 1.340460349014595
Energy: 1.266482996253206
Energy: 1.340460349014595
Energy: 1.3928784587869678
Energy: 1.397607134297148
Energy: 1.3928784587869678
Energy: 1.397607134297148
Energy: 1.3928784587869678
Energy: 1.397607134297148
Energy: 1.4598624289289373
Energy: 1.4904546177470122
Energy: 1.4598624289289373
Energy: 1.4904546177470122
Energy: 1.4598624289289373
Energy: 1.4904546177470122
Energy: 1.2610358100959118
Energy: 1.3215696165502635
Energy: 1.2610358100959118
Energy: 1.3215696165502635
Energy: 1.2610358100959118
Energy: 1.3215696165502635
Energy: 1.288493393981084
Energy: 1.2809351213518172
Energy: 1.288493393981084
Energy: 1.2809351213518172
Energy: 1.288493393981084
Energy: 1.2809351213518172
Energy: 1.3678551023933436
Energy: 1.3944638394042117
Energy: 1.3678551023933436
Energy: 1.3944638394042117
Energy: 1.3678551023933436
Energy: 1.3944638394042117
Energy: 1.5462504824042058
Energy: 1.3732128262630927
Energy: 1.5462504824042058
Energy: 1.3732128262630927
Energy: 1.5462504824042058
Energy: 1.3732128262630927
Energy: 1.3777182060959872
Energy: 1.3570741712621213
Energy: 1.3777182060959872
Energy: 1.3570741712621213
Energy: 1.3777182060995778
Energy: 1.3570741712621213
Energy: 1.3723946667389324
Energy: 1.2394666115494932
Energy: 1.3723946667389324
Energy: 1.2394666115494932
Energy: 1.3723946667425229
Energy: 1.2394666115494932
Energy: 1.271711994169215
Energy: 1.5266314628780695
Energy: 1.271711994169215
Energy: 1.5266314628780695
Energy: 1.271711994169215
Energy: 1.5266314628816602
Energy: 1.538571385776702
Energy: 1.3749579462853503
Energy: 1.538571385776702
Energy: 1.3749579462817598
Energy: 1.538571385776702
Energy: 1.3749579462817598
Energy: 1.2616211409165972
Energy: 1.3181798851798738
Energy: 1.2616211409165972
Energy: 1.3181798851798738
Energy: 1.2616211409165972
Energy: 1.3181798851798738
Energy: 1.3405174916266074
Energy: 1.648058979914334
Energy: 1.3405174916266074
Energy: 1.648058979914334
Energy: 1.3405174916266074
Energy: 1.648058979914334
Energy: 1.1926510106806854
Energy: 1.5592128750080558
Energy: 1.1926510106806854
Energy: 1.5592128750080558
Energy: 1.1926510106806854
Energy: 1.5592128750080558
Energy: 1.5219849562305603
Energy: 1.2196591157742682
Energy: 1.521984956234151
Energy: 1.2196591157742682
Energy: 1.5219849562305603
Energy: 1.2196591157742682
Energy: 1.1976279378390977
Energy: 1.3837144572394318
Energy: 1.1976279378355073
Energy: 1.3837144572394318
Energy: 1.1976279378390977
Energy: 1.3837144572394318
Energy: 1.3544365841356847
Energy: 1.6480725791274864
Energy: 1.3544365841320942
Energy: 1.6480725791274864
Energy: 1.3544365841320942
Energy: 1.6480725791274864
Energy: 1.2811755956326312
Energy: 1.4283684984597758
Energy: 1.2811755956398125
Energy: 1.4283684984597758
Energy: 1.2811755955895434
Energy: 1.4283684984597758
Energy: 1.518648055971086
Energy: 1.3626709511035675
Energy: 1.518648055974677
Energy: 1.362670951099977
Energy: 1.518648055974677
Energy: 1.362670951099977
Energy: 1.2285002697990226
Energy: 1.1885475983817233
Energy: 1.2285002698421104
Energy: 1.1885475983817233
Energy: 1.2285002698026133
Energy: 1.1885475983817233
Energy: 1.365603091241832
Energy: 1.3266353526206687
Energy: 1.3656030912382413
Energy: 1.3266353526206687
Energy: 1.3656030912382413
Energy: 1.3266353526242591
Energy: 1.4349432551190857
Energy: 1.2702106615557742
Energy: 1.4349432551190857
Energy: 1.2702106615557742
Energy: 1.4349432551190857
Energy: 1.2702106615557742
Energy: 1.6238056314685665
Energy: 1.3469342334116838
Energy: 1.6238056314649756
Energy: 1.3469342334116838
Energy: 1.6238056314685665
Energy: 1.3469342334116838
Energy: 1.4664663258588004
Energy: 1.2352555394267628
Energy: 1.4664663258588004
Energy: 1.2352555394267628
Energy: 1.4664663258588004
Energy: 1.2352555394267628
Energy: 1.4210506774263192
Energy: 1.3170293254271774
Energy: 1.4210506774263192
Energy: 1.3170293254271774
Energy: 1.4210506774227287
Energy: 1.3170293254271774
Energy: 1.5008183871470109
Energy: 1.3418530013027197
Energy: 1.5008183871470109
Energy: 1.3418530013027197
Energy: 1.5008183871506013
Energy: 1.3418530013027197
Energy: 1.4474220430334543
Energy: 1.3488505597585199
Energy: 1.4474220430334543
Energy: 1.3488505597585199
Energy: 1.4474220430334543
Energy: 1.3488505597585199
Energy: 1.373034656796766
Energy: 1.6354735318017741
Energy: 1.3730346567931755
Energy: 1.6354735318017741
Energy: 1.373034656796766
Energy: 1.6354735318017741
Energy: 1.1946540061649065
Energy: 1.3785352662416341
Energy: 1.1946540061649065
Energy: 1.3785352662416341
Energy: 1.1946540061649065
Energy: 1.3785352662416341
Energy: 1.6227425042642534
Energy: 1.2624932749870608
Energy: 1.6227425042606625
Energy: 1.2624932749834703
Energy: 1.6227425042642534
Energy: 1.2624932749870608
Energy: 1.234497953687169
Energy: 1.5562317439473095
Energy: 1.234497953687169
Energy: 1.5562317439473095
Energy: 1.234497953687169
Energy: 1.5562317439473095
Energy: 1.3604501124980106
Energy: 1.6361701849318002
Energy: 1.3604501124944197
Energy: 1.6361701849318002
Energy: 1.3604501124980106
Energy: 1.6361701849282093
Energy: 1.2638154271601867
Energy: 1.4004348544813279
Energy: 1.2638154271601867
Energy: 1.4004348544813279
Energy: 1.2638154271601867
Energy: 1.4004348544813279
Energy: 1.7115810872719945
Energy: 1.1899937176735758
Energy: 1.7115810872719945
Energy: 1.1899937176735758
Energy: 1.7115810872719945
Energy: 1.1899937176735758
Energy: 1.2443603438973254
Energy: 1.6688118037629895
Energy: 1.2443603438973254
Energy: 1.6688118037629895
Energy: 1.2443603438973254
Energy: 1.6688118037629895
Energy: 1.5054639154795102
Energy: 1.2356627562946474
Energy: 1.5054639154795102
Energy: 1.2356627562946474
Energy: 1.5054639154795102
Energy: 1.2356627562946474
Energy: 1.625556506866265
Energy: 1.3186056421823167
Energy: 1.625556506866265
Energy: 1.3186056421751355
Energy: 1.625556506866265
Energy: 1.3186056421751355
Energy: 1.6341054673362463
Energy: 1.2654574665303986
Energy: 1.6341054673362463
Energy: 1.2654574665303986
Energy: 1.634105467339837
Energy: 1.2654574665303986
Energy: 1.3284065284171278
Energy: 1.3954125711549643
Energy: 1.3284065284171278
Energy: 1.3954125711549643
Energy: 1.3284065284171278
Energy: 1.3954125711549643
Energy: 1.3218814577208324
Energy: 1.2443114812148803
Energy: 1.3218814577244231
Energy: 1.2443114812148803
Energy: 1.3218814577208324
Energy: 1.2443114812148803
Energy: 1.2638857241726587
Energy: 1.4297885820191902
Energy: 1.2638857241691335
Energy: 1.4297885820191902
Energy: 1.2638857241726587
Energy: 1.4297885820191902
Energy: 1.4705164999552298
Energy: 1.4016396523734769
Energy: 1.4705164999552298
Energy: 1.4016396523734769
Energy: 1.4705164999552298
Energy: 1.4016396523698862
Energy: 1.3611512065520608
Energy: 1.462818308707228
Energy: 1.3611512065520608
Energy: 1.462818308707228
Energy: 1.3611512065520608
Energy: 1.462818308707228

minimum gb energy = 1.1833352361962464 eV
minimum distance =  2.27454691728324 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.3885090357239087
Energy: 1.328822460544732
Energy: 1.3212049440176035
Energy: 1.3288224605467034
Energy: 1.3885090357224303
Energy: 1.3288224605462107
Energy: 1.260770798300042
Energy: 1.4279305283170136
Energy: 1.2607707982985634
Energy: 1.4279305283189847
Energy: 1.260770798302013
Energy: 1.4279305283194776
Energy: 1.6116046936391346
Energy: 1.5549985359544487
Energy: 1.5200284408107327
Energy: 1.5549985359549414
Energy: 1.6116046936381492
Energy: 1.5549985359549414
Energy: 1.2738710066585346
Energy: 1.4554417580681511
Energy: 1.2738710066609986
Energy: 1.4554417580691368
Energy: 1.2738710066590273
Energy: 1.455441758068644
Energy: 1.3178379389847867
Energy: 1.1985029859311527
Energy: 1.317837938984294
Energy: 1.1985029859311527
Energy: 1.3178379389862651
Energy: 1.1985029859321383
Energy: 1.2437904136528921
Energy: 1.1924315241815546
Energy: 1.2437904136519065
Energy: 1.1924315241820473
Energy: 1.2437904136474711
Energy: 1.1924315241815546
Energy: 1.1712836795876442
Energy: 1.1924377191428406
Energy: 1.1712836795871513
Energy: 1.192437719140869
Energy: 1.1712836795876442
Energy: 1.192437719140869
Energy: 1.3381017706447822
Energy: 1.2627335421048587
Energy: 1.3378234429044848
Energy: 1.2627335421038728
Energy: 1.3381017706467533
Energy: 1.2627335421038728
Energy: 1.5228172540362734
Energy: 1.4026642257376893
Energy: 1.5228172540357807
Energy: 1.4026642257367037
Energy: 1.5228172540367664
Energy: 1.4026642257367037
Energy: 1.3894762405170116
Energy: 1.7634361997994892
Energy: 1.3894762405165186
Energy: 1.7634361997994892
Energy: 1.3894762405165186
Energy: 1.7634361997999821
Energy: 1.2608413253589008
Energy: 1.234279134649882
Energy: 1.2608413253584079
Energy: 1.2342791346508677
Energy: 1.2608413253589008
Energy: 1.234279134649882
Energy: 1.1924135986774882
Energy: 1.244375656427494
Energy: 1.1924135986769953
Energy: 1.2443756564309434
Energy: 1.1924135986769953
Energy: 1.244375656427494
Energy: 1.2611138565802542
Energy: 1.3200492158333592
Energy: 1.2611138565792686
Energy: 1.3200492158308952
Energy: 1.2611138565768045
Energy: 1.3200492158308952
Energy: 1.4041523320504337
Energy: 1.5546466624008934
Energy: 1.4041523320509266
Energy: 1.554646662402372
Energy: 1.404152332051912
Energy: 1.554646662402372
Energy: 1.5995095451376986
Energy: 1.2151215328770588
Energy: 1.599509545137206
Energy: 1.2151215328790304
Energy: 1.599509545136713
Energy: 1.2151215328790304
Energy: 1.3192537668014548
Energy: 1.1963871159692645
Energy: 1.3192537668024404
Energy: 1.1963871159687718
Energy: 1.319253766800962
Energy: 1.1963871159682788
Energy: 1.3419708216547677
Energy: 1.1919564748924274
Energy: 1.3419708216527964
Energy: 1.1919564748919347
Energy: 1.3419708216532893
Energy: 1.191956474891442
Energy: 1.2316169877466634
Energy: 1.3427131148441085
Energy: 1.2316211036302394
Energy: 1.3427131148450941
Energy: 1.231616987747649
Energy: 1.3427131148455869
Energy: 1.1952341152394204
Energy: 1.246062912011768
Energy: 1.195234115239913
Energy: 1.2460629120132467
Energy: 1.195234115239913
Energy: 1.2460629120127538
Energy: 1.4538802992263697
Energy: 1.4695727867229964
Energy: 1.4538802992263697
Energy: 1.469572786723982
Energy: 1.4538802992248914
Energy: 1.469572786723982
Energy: 1.1960124894707758
Energy: 1.3209783426127983
Energy: 1.1960124894717614
Energy: 1.320978342613784
Energy: 1.1960124894742254
Energy: 1.320978342613784
Energy: 1.2582029593166346
Energy: 1.2354083013223187
Energy: 1.191839415116035
Energy: 1.2354083013198542
Energy: 1.2582029593171273
Energy: 1.2354083013198542
Energy: 1.2584164976713232
Energy: 1.1712151525147414
Energy: 1.1916972235922885
Energy: 1.1712151525152343
Energy: 1.25841649767428
Energy: 1.1712151525152343
Energy: 1.2630532633862086
Energy: 1.3335234718213322
Energy: 1.2630532633857157
Energy: 1.3335234718198539
Energy: 1.2630532633832516
Energy: 1.3335234718198539
Energy: 1.4024460552445532
Energy: 1.5246143569407278
Energy: 1.402446055245539
Energy: 1.5246143569417132
Energy: 1.4024460552440605
Energy: 1.5246143569417132
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399
Energy: 1.1942882309899399

minimum gb energy = 1.1712151525147414 eV
minimum distance =  2.36799622673405 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5389347385481804
Energy: 1.2915879571683853
Energy: 1.5389347385481804
Energy: 1.2915879571689906
Energy: 1.5389347385481804
Energy: 1.2915879571683853
Energy: 1.4275333009082107
Energy: 1.2248320881106018
Energy: 1.4275333009082107
Energy: 1.2248320881106018
Energy: 1.427533300908816
Energy: 1.2248320881106018
Energy: 1.3717356942727628
Energy: 1.591667576254671
Energy: 1.3717356942727628
Energy: 1.591667576254671
Energy: 1.3717356942727628
Energy: 1.591667576254671
Energy: 1.5168272543277008
Energy: 1.2762940420317894
Energy: 1.5168272543277008
Energy: 1.2762940420317894
Energy: 1.5168272543283063
Energy: 1.2762940420317894
Energy: 1.338882525039525
Energy: 1.3159705092092524
Energy: 1.338882525039525
Energy: 1.3159705092086473
Energy: 1.338882525039525
Energy: 1.3159705092092524
Energy: 1.381584959740253
Energy: 1.3128224642198025
Energy: 1.381584959739648
Energy: 1.3128224642198025
Energy: 1.381584959740253
Energy: 1.3128224642204078
Energy: 1.3326071554194538
Energy: 1.4724681145040692
Energy: 1.3326071554194538
Energy: 1.4724681145040692
Energy: 1.3326071554206644
Energy: 1.4724681145040692
Energy: 1.270189722940354
Energy: 1.3738704838711517
Energy: 1.270189722940354
Energy: 1.3738704838711517
Energy: 1.270189722940959
Energy: 1.3738704838711517
Energy: 1.4358297025241644
Energy: 1.3976063218389838
Energy: 1.4358297025241644
Energy: 1.3976063218389838
Energy: 1.4358297025241644
Energy: 1.3976063218389838
Energy: 1.2694950734436348
Energy: 1.5047691398458176
Energy: 1.2694950734430295
Energy: 1.5047691398458176
Energy: 1.2694950734436348
Energy: 1.5047691398458176
Energy: 1.5143894894628358
Energy: 1.3206307363768257
Energy: 1.5143894894628358
Energy: 1.3206307363762204
Energy: 1.5143894894628358
Energy: 1.3206307363768257
Energy: 1.269659003861905
Energy: 1.3371017262204572
Energy: 1.2696590038625104
Energy: 1.3371017256759066
Energy: 1.2696590038625104
Energy: 1.3371017262113771
Energy: 1.3751030723822113
Energy: 1.312703716330115
Energy: 1.3751030723822113
Energy: 1.312703716330115
Energy: 1.3751030723828166
Energy: 1.3127037163307202
Energy: 1.202694262645941
Energy: 1.5338700427268557
Energy: 1.2026942626441248
Energy: 1.5338700427256449
Energy: 1.2026942626429145
Energy: 1.5338700427262504
Energy: 1.3788744925999648
Energy: 1.3203643748302112
Energy: 1.3788744925993592
Energy: 1.3203643748302112
Energy: 1.3788744925999648
Energy: 1.3203643748302112
Energy: 1.4726276611067473
Energy: 1.375871909612574
Energy: 1.472627661106142
Energy: 1.3758719096131795
Energy: 1.472627661106142
Energy: 1.3758719096131795
Energy: 1.388642987213468
Energy: 1.2261914465338075
Energy: 1.3886429872140733
Energy: 1.2261914465338075
Energy: 1.3886429872128625
Energy: 1.2261914465344128
Energy: 1.5037933795268843
Energy: 1.2962422115333958
Energy: 1.5037933795268843
Energy: 1.2962422115333958
Energy: 1.5037933795268843
Energy: 1.29624221153158
Energy: 1.4569435611877566
Energy: 1.4098130702791045
Energy: 1.4569435611877566
Energy: 1.4098130702791045
Energy: 1.4569435611877566
Energy: 1.4098130702797098
Energy: 1.3886156215410277
Energy: 1.424461650667809
Energy: 1.3886156215410277
Energy: 1.4244616506672034
Energy: 1.388615621541633
Energy: 1.424461650667809
Energy: 1.2964981261146056
Energy: 1.4214295223132616
Energy: 1.2964981261140003
Energy: 1.4214295223132616
Energy: 1.296498126113395
Energy: 1.4214295223132616
Energy: 1.4636484546476474
Energy: 1.352242543670645
Energy: 1.4636484546476474
Energy: 1.352242543670645
Energy: 1.4636484546482529
Energy: 1.352242543670645
Energy: 1.2032415280047069
Energy: 1.4522755150786932
Energy: 1.2032415280047069
Energy: 1.4522755150792985
Energy: 1.2032415280041013
Energy: 1.4522755150786932
Energy: 1.3797337059311552
Energy: 1.4865695330601707
Energy: 1.3797337059317605
Energy: 1.4865695330601707
Energy: 1.3797337059317605
Energy: 1.4865695330601707
Energy: 1.2692613351229682
Energy: 1.2721377187547582
Energy: 1.2692613351229682
Energy: 1.2721377187553633
Energy: 1.2692613351235735
Energy: 1.2721377187559688
Energy: 1.544605877961173
Energy: 1.3688250627050944
Energy: 1.544605877961173
Energy: 1.3688250627050944
Energy: 1.544605877961173
Energy: 1.3688250627050944
Energy: 1.3257545605134058
Energy: 1.4305335412633355
Energy: 1.3257545605128003
Energy: 1.4305335412645461
Energy: 1.3257545605134058
Energy: 1.4305335412645461
Energy: 1.4352442569038353
Energy: 1.3204748861724103
Energy: 1.4352442569038353
Energy: 1.3204748861724103
Energy: 1.4352442569032298
Energy: 1.3204748861724103
Energy: 1.2690121324162402
Energy: 1.3729471023949082
Energy: 1.2690121324150296
Energy: 1.3729471023949082
Energy: 1.2690121324168457
Energy: 1.3729471023949082
Energy: 1.3577204552342759
Energy: 1.3897756708477165
Energy: 1.3577204552342759
Energy: 1.3897756708471114
Energy: 1.3577204552348812
Energy: 1.3897756708471114
Energy: 1.4001202748988686
Energy: 1.3127313532356997
Energy: 1.400120274898263
Energy: 1.312731353236305
Energy: 1.4001202748988686
Energy: 1.3127313532356997

minimum gb energy = 1.2026942626429145 eV
minimum distance =  2.32048800756321 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.4624179379688542
Energy: 1.2920601898742252
Energy: 1.3789019885367095
Energy: 1.2920601898734412
Energy: 1.4624179379688542
Energy: 1.2920601898734412
Energy: 1.4067352214577518
Energy: 1.2359980403139512
Energy: 1.4067352214585356
Energy: 1.2359980403139512
Energy: 1.4067352214577518
Energy: 1.2359980403139512
Energy: 1.4939325242428636
Energy: 1.4566678355059417
Energy: 1.4351720414937759
Energy: 1.4566678355043743
Energy: 1.4939325242436472
Energy: 1.4566678355043743
Energy: 1.6808069033820354
Energy: 1.4083233115435916
Energy: 1.6808069033828192
Energy: 1.4083233115420242
Energy: 1.6808069033812516
Energy: 1.4083233115420242
Energy: 1.7046143752575114
Energy: 1.3263627381474612
Energy: 1.7046143752590786
Energy: 1.3263627381474612
Energy: 1.704614375258295
Energy: 1.3263627381474612
Energy: 1.4846890987339114
Energy: 1.39555825588825
Energy: 1.4846890987346952
Energy: 1.3031409108317504
Energy: 1.484689098735479
Energy: 1.3955582558890336
Energy: 1.4506741607486764
Energy: 1.4946485630349808
Energy: 1.45067416074946
Energy: 1.4946485630326296
Energy: 1.4506741607518112
Energy: 1.4946485630318458
Energy: 1.3797563658720726
Energy: 1.2933787776357608
Energy: 1.3797563658720726
Energy: 1.2933787776349772
Energy: 1.3797563658728564
Energy: 1.2933787776365446
Energy: 1.457102417894798
Energy: 1.2387201437774267
Energy: 1.4571024178955818
Energy: 1.2387201437766429
Energy: 1.4571024178955818
Energy: 1.2387201437766429
Energy: 1.2280818069799957
Energy: 1.3007844164856797
Energy: 1.2280825927934436
Energy: 1.3007844164864635
Energy: 1.228081806981563
Energy: 1.3007844164864635
Energy: 1.3547461357760047
Energy: 1.409659906220115
Energy: 1.354746135777572
Energy: 1.4096599062224662
Energy: 1.3547461357783561
Energy: 1.4096599062224662
Energy: 1.590246963231177
Energy: 1.5157517929922109
Energy: 1.590246963231177
Energy: 1.5157517929914273
Energy: 1.590246963231177
Energy: 1.5157517929914273
Energy: 1.4077776724099862
Energy: 1.2386573693657514
Energy: 1.4077776724115538
Energy: 1.2386573693649676
Energy: 1.40777767241077
Energy: 1.2386573693657514
Energy: 1.4475314554072662
Energy: 1.2446686000734295
Energy: 1.4598340838763761
Energy: 1.2446686000734295
Energy: 1.4475314554064826
Energy: 1.2446686000734295
Energy: 1.449650490374202
Energy: 1.4008258561397813
Energy: 1.3428946251032094
Energy: 1.4008258561382136
Energy: 1.4496504903734184
Energy: 1.4008258561382136
Energy: 1.4278980737101945
Energy: 1.3485513214673277
Energy: 1.4278980737094107
Energy: 1.3485513214665437
Energy: 1.4278980737101945
Energy: 1.3485513214657598
Energy: 1.2276284853683401
Energy: 1.3019485740433088
Energy: 1.2276880720041372
Energy: 1.301948574042525
Energy: 1.2276284853675565
Energy: 1.3019485740433088
Energy: 1.3520118207202454
Energy: 1.4272799501109508
Energy: 1.3520118207202454
Energy: 1.259472552179697
Energy: 1.3520118207218128
Energy: 1.4272799501109508
Energy: 1.2275872302171678
Energy: 1.3020042990970078
Energy: 1.2275872302171678
Energy: 1.3020042990946563
Energy: 1.227587230216384
Energy: 1.3020042990946563
Energy: 1.493562665229679
Energy: 1.3484385945864734
Energy: 1.493562665229679
Energy: 1.3484385945872568
Energy: 1.493562665229679
Energy: 1.3484385945880408
Energy: 1.3424723329116484
Energy: 1.2420085715081104
Energy: 1.3424723329116484
Energy: 1.2420085715081104
Energy: 1.3424723329108645
Energy: 1.2420085715081104
Energy: 1.4596075265545159
Energy: 1.3583547090411534
Energy: 1.459607526553732
Energy: 1.3583547090411534
Energy: 1.4596075265529482
Energy: 1.3583547090403698
Energy: 1.4919261339698868
Energy: 1.235384603261455
Energy: 1.4922458166622472
Energy: 1.2353846032622389
Energy: 1.491926133969103
Energy: 1.235384603261455
Energy: 1.570362240857621
Energy: 1.4656233916115669
Energy: 1.5704096504314162
Energy: 1.4656233916099992
Energy: 1.5703622408599724
Energy: 1.4656233916099992

minimum gb energy = 1.227587230216384 eV
minimum distance =  2.27138838653049 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6471131033750055
Energy: 1.1809196958844714
Energy: 1.6471131033750055
Energy: 1.1809196958844714
Energy: 1.6471131033750055
Energy: 1.1809196958844714
Energy: 1.320729845485985
Energy: 1.2746949849002778
Energy: 1.320729845485985
Energy: 1.2746949849002778
Energy: 1.320729845485985
Energy: 1.2746949849002778
Energy: 1.277062619511541
Energy: 1.3212470282572064
Energy: 1.277062619511541
Energy: 1.3212470282572064
Energy: 1.277062619511541
Energy: 1.3212470282572064
Energy: 1.3164793624092477
Energy: 1.2838432364488965
Energy: 1.3164793624081392
Energy: 1.2838432364488965
Energy: 1.3164793624081392
Energy: 1.283843236450005
Energy: 1.29844993279203
Energy: 1.471556715673171
Energy: 1.2984499327909216
Energy: 1.4715567156720626
Energy: 1.2984499327909216
Energy: 1.471556715673171
Energy: 1.2079856130011393
Energy: 1.2825328839247085
Energy: 1.2079856130011393
Energy: 1.2825328839236
Energy: 1.2079856130011393
Energy: 1.2825328839247085
Energy: 1.277413553555451
Energy: 1.3301903803746586
Energy: 1.2774135535565592
Energy: 1.3301903803746586
Energy: 1.2774135535543425
Energy: 1.3301903803746586
Energy: 1.3165202733093408
Energy: 1.3047002355559671
Energy: 1.3165202733093408
Energy: 1.3047002355570756
Energy: 1.3165202733093408
Energy: 1.304700235558184
Energy: 1.2447799649382663
Energy: 1.1255156621130378
Energy: 1.2447799649382663
Energy: 1.1255156621119295
Energy: 1.2447799649371578
Energy: 1.1255156621119295
Energy: 1.182443793725907
Energy: 1.2582788573307433
Energy: 1.1824437937247982
Energy: 1.2582788573329098
Energy: 1.182443793725907
Energy: 1.2582788573307433
Energy: 1.201815783000865
Energy: 1.2934268203960424
Energy: 1.2018157829997562
Energy: 1.293426820394934
Energy: 1.201815783000865
Energy: 1.293426820394934
Energy: 1.2623357291178234
Energy: 1.2557423368160996
Energy: 1.2623357291167656
Energy: 1.2557423368160996
Energy: 1.2623357291200403
Energy: 1.2557423368160996
Energy: 1.0693492612873265
Energy: 1.2825900814307916
Energy: 1.0693492612873265
Energy: 1.2825900814307916
Energy: 1.0693492612873265
Energy: 1.2825900814307916
Energy: 1.2024253274451266
Energy: 1.2827732690918778
Energy: 1.202425327444018
Energy: 1.2827732690918778
Energy: 1.2024253274451266
Energy: 1.2827732690918778
Energy: 1.2076504320985706
Energy: 1.4526779499680822
Energy: 1.207650432099679
Energy: 1.4526779499680822
Energy: 1.2076504320985706
Energy: 1.4526779499680822
Energy: 1.206983652402097
Energy: 1.4975824137492215
Energy: 1.206983652402097
Energy: 1.49758241375033
Energy: 1.206983652402097
Energy: 1.4975824137492215
Energy: 1.199626608174085
Energy: 1.282669641639133
Energy: 1.199626608174085
Energy: 1.282669641639133
Energy: 1.1996266081729765
Energy: 1.282669641639133

minimum gb energy = 1.0693492612873265 eV
minimum distance =  2.31537320000273 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.1959302042317568
Energy: 1.0689920943332256
Energy: 1.195930204232185
Energy: 1.0689920943332256
Energy: 1.1959302042317568
Energy: 1.0689920943332256
Energy: 1.278441862417915
Energy: 1.1932889403633373
Energy: 1.278441862418343
Energy: 1.086764299990122
Energy: 1.278441862417915
Energy: 1.1932889403624813
Energy: 1.1862991089322805
Energy: 1.2130301848726412
Energy: 1.1862991089327086
Energy: 1.2130301848726412
Energy: 1.1862991089314245
Energy: 1.2130301848726412
Energy: 1.113829404968401
Energy: 1.1831987079885156
Energy: 1.113829404969685
Energy: 1.1831987079885156
Energy: 1.113829404968401
Energy: 1.1831987079885156
Energy: 1.4890972186092175
Energy: 1.1968052483748899
Energy: 1.4890972186092175
Energy: 1.19680524837703
Energy: 1.4890972186087892
Energy: 1.1968052483757456
Energy: 1.1431797222921742
Energy: 1.1204622084618678
Energy: 1.1431797222930302
Energy: 1.0834785899000106
Energy: 1.1431797222930302
Energy: 1.120462208460584
Energy: 1.0806757468318129
Energy: 1.0855038677671263
Energy: 1.0806757468339532
Energy: 1.0855038677684103
Energy: 1.080675746832241
Energy: 1.0855038677666984
Energy: 1.3792089729713122
Energy: 1.3476616074092398
Energy: 1.3792089729708843
Energy: 1.3476616074088117
Energy: 1.3792089729708843
Energy: 1.3476616074088117
Energy: 1.1217320727887614
Energy: 1.1347843575114684
Energy: 1.1217320727900457
Energy: 1.1347843575097565
Energy: 1.1217320727891897
Energy: 1.1347843575097565
Energy: 1.0821807537402244
Energy: 0.9831982131466944
Energy: 1.0821807537415082
Energy: 0.9831982131471224
Energy: 1.0821807537406523
Energy: 0.9831982131471224
Energy: 1.0012198428848256
Energy: 1.3187921380972953
Energy: 1.0012198428861097
Energy: 1.3187921380977237
Energy: 1.0012198428831134
Energy: 1.3187921380972953
Energy: 1.180969696211773
Energy: 1.2665566237583432
Energy: 1.1809696962109169
Energy: 1.2665566237587713
Energy: 1.1809696962113447
Energy: 1.2665566237587713
Energy: 1.2659828712292316
Energy: 1.240421162002527
Energy: 1.2659828712305157
Energy: 1.2404211620020988
Energy: 1.2659828712296597
Energy: 1.2404211620020988
Energy: 1.2662200621044941
Energy: 1.1967407999533837
Energy: 1.266220062104066
Energy: 1.1967407999533837
Energy: 1.266220062104922
Energy: 1.1967407999533837
Energy: 1.1652833513224667
Energy: 1.1658757912958142
Energy: 1.1652833513228946
Energy: 1.1658757912988105
Energy: 1.1652833513220386
Energy: 1.1658757912983824
Energy: 1.2087842129869275
Energy: 1.2529844530797123
Energy: 1.2087842129877835
Energy: 1.2529844530797123
Energy: 1.2087842129877835
Energy: 1.2529844530797123
Energy: 1.100959131608654
Energy: 1.1300692526185263
Energy: 1.1009591316082261
Energy: 1.1300692526180984
Energy: 1.1009591316095102
Energy: 1.1300692526180984
Energy: 1.1438290060573129
Energy: 1.3716216783849315
Energy: 1.1438290060573129
Energy: 1.3716216783849315
Energy: 1.143829006057741
Energy: 1.3716216783853596
Energy: 1.1067000388719173
Energy: 1.4911159384129475
Energy: 1.1067000388732013
Energy: 1.4911159384129475
Energy: 1.1067000388736294
Energy: 1.4911159384125197
Energy: 1.1000811174471075
Energy: 0.9842294253086504
Energy: 1.1000811174466794
Energy: 0.9842294253082223
Energy: 1.1000811174471075
Energy: 0.9842294253073662
Energy: 1.1068149452174902
Energy: 1.4910624159607602
Energy: 1.1068149452174902
Energy: 1.4910624159611883
Energy: 1.1068149452174902
Energy: 1.4910624159607602
Energy: 1.1440035215952702
Energy: 1.3716384441443177
Energy: 1.144003521594842
Energy: 1.3716384441447458
Energy: 1.1440035215961264
Energy: 1.3716384441447458
Energy: 1.100965588498742
Energy: 1.1300556568711702
Energy: 1.100965588500026
Energy: 1.130055656871598
Energy: 1.1009655884991698
Energy: 1.130055656871598
Energy: 1.2087742350616089
Energy: 1.2062795084980593
Energy: 1.2087742350603248
Energy: 1.2062795084976314
Energy: 1.2087742350620372
Energy: 1.2062795084976314
Energy: 1.1652536264943218
Energy: 1.1737349132614674
Energy: 1.1652536264947502
Energy: 1.173734913261895
Energy: 1.165253626493038
Energy: 1.1737349132614674
Energy: 1.2662384399727422
Energy: 1.2020374792767805
Energy: 1.266238439973598
Energy: 1.2020374792772084
Energy: 1.2662384399731699
Energy: 1.2020374792772084
Energy: 1.267418097326087
Energy: 1.2402553145093858
Energy: 1.2674180973269429
Energy: 1.2402553145089577
Energy: 1.2674180973265148
Energy: 1.2402553145093858
Energy: 1.1903180538710703
Energy: 1.2666817077300367
Energy: 1.1903180538719265
Energy: 1.2666817077317487
Energy: 1.1903180538744946
Energy: 1.2666817077326047
Energy: 1.0012261926882122
Energy: 1.3189578720702317
Energy: 1.0012261926877841
Energy: 1.3189578720702317
Energy: 1.0012261926890682
Energy: 1.3189578720702317
Energy: 1.0817895032662186
Energy: 0.9833092760387512
Energy: 1.0817895032666467
Energy: 0.9833092760387512
Energy: 1.0817895032657907
Energy: 0.9833092760383231
Energy: 1.1222438444805782
Energy: 1.1354426772223079
Energy: 1.1222438444792942
Energy: 1.1354426772227362
Energy: 1.1222438444797223
Energy: 1.1354426772227362
Energy: 1.379312502832385
Energy: 1.3476178083697012
Energy: 1.379312502832385
Energy: 1.3476178083697012
Energy: 1.379312502832385
Energy: 1.3476178083697012
Energy: 1.0804264727849837
Energy: 1.0852915959868272
Energy: 1.0804264727832718
Energy: 1.0852915959876832
Energy: 1.08042647278584
Energy: 1.0852915959868272
Energy: 1.1432060751005408
Energy: 1.0478188832706141
Energy: 1.1432060751009687
Energy: 1.0478188832693303
Energy: 1.1432060751001127
Energy: 1.0478188832706141
Energy: 1.4893105460490736
Energy: 1.1968309159936037
Energy: 1.4893105460482174
Energy: 1.1968309159936037
Energy: 1.4893105460490736
Energy: 1.196830915994032
Energy: 1.1140175217878803
Energy: 1.1489591048135417
Energy: 1.1140175217878803
Energy: 1.1489591048160712
Energy: 1.1140175217861683
Energy: 1.148959104814787
Energy: 1.1864395515883677
Energy: 1.2131252985083008
Energy: 1.186439551588796
Energy: 1.2131252985078727
Energy: 1.186439551588796
Energy: 1.2131252985078727
Energy: 1.278647669879483
Energy: 1.0478024664768315
Energy: 1.2786476698803388
Energy: 1.0478024664747303
Energy: 1.278647669879911
Energy: 1.0478024664747303
Energy: 1.195930204231329
Energy: 1.0689920943310856
Energy: 1.1959302042317568
Energy: 1.0689920943315137
Energy: 1.195930204232185
Energy: 1.0689920943315137
Energy: 1.2784418624174867
Energy: 1.2501999217225865
Energy: 1.278441862417915
Energy: 1.250199921723443
Energy: 1.278441862417915
Energy: 1.2501999217225865
Energy: 1.1862991089327086
Energy: 1.2130301848700729
Energy: 1.1862991089327086
Energy: 1.213030184870929
Energy: 1.1862991089327086
Energy: 1.213030184870501
Energy: 1.113829404967117
Energy: 1.129933907369562
Energy: 1.113829404967545
Energy: 1.1299339073687449
Energy: 1.113829404967117
Energy: 1.129933907369134
Energy: 1.4890972186087892
Energy: 1.1968052483753178
Energy: 1.4890972186087892
Energy: 1.1968052483766018
Energy: 1.4890972186087892
Energy: 1.1968052483757456

minimum gb energy = 0.9831982131466944 eV
minimum distance =  2.27573867065291 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.0984392550568998
Energy: 0.9885238298575761
Energy: 1.098439255054112
Energy: 0.98852382985897
Energy: 1.0984392550562025
Energy: 0.9885238298575761
Energy: 1.1345665459839003
Energy: 1.13104934610861
Energy: 1.1345665459832033
Energy: 1.131049346109307
Energy: 1.1345665459839003
Energy: 1.13104934610861
Energy: 1.144334900353612
Energy: 1.1309499277841022
Energy: 1.1443349003529153
Energy: 1.1309499277841022
Energy: 1.144334900353612
Energy: 1.130949927784799
Energy: 1.1425802722625977
Energy: 1.0743107643442775
Energy: 1.1425802722632945
Energy: 1.0743107643421868
Energy: 1.1425802722625977
Energy: 1.0743107643428835
Energy: 1.3295921802855084
Energy: 1.1011806959021577
Energy: 1.3295921802848114
Energy: 1.101180695901461
Energy: 1.3295921802848114
Energy: 1.101180695901461
Energy: 1.0718401140797722
Energy: 0.9745478981800959
Energy: 1.0718401140783784
Energy: 0.9745478981807927
Energy: 1.0718401140797722
Energy: 0.9745478981800959
Energy: 1.2720748683670728
Energy: 1.0437633955537404
Energy: 1.2720748683670728
Energy: 1.0437633955544374
Energy: 1.2720748683677696
Energy: 1.0437633955544374
Energy: 1.2572463021263378
Energy: 1.2609391719227037
Energy: 1.2572463021263378
Energy: 1.2609391719227037
Energy: 1.2572463021263378
Energy: 1.2609391719227037
Energy: 0.9912091508299445
Energy: 0.9763580987289759
Energy: 0.9912091508278538
Energy: 0.976358098729673
Energy: 0.9912091508299445
Energy: 0.9763580987289759
Energy: 1.1225230830166697
Energy: 1.0069815115013585
Energy: 1.1225230830166697
Energy: 1.0069815115020555
Energy: 1.1225230830159727
Energy: 1.0069815115020555
Energy: 1.275067293861376
Energy: 1.2729818852415884
Energy: 1.27506729386277
Energy: 1.2729818852422854
Energy: 1.2750672938620728
Energy: 1.2729818852408916
Energy: 1.029529079258104
Energy: 1.2671404140695604
Energy: 1.029529079258104
Energy: 1.2671404140688634
Energy: 1.0295290792588008
Energy: 1.2671404140695604
Energy: 1.1223898689443714
Energy: 1.1377706691276028
Energy: 1.1223898689450682
Energy: 1.1377706691276028
Energy: 1.1223898689443714
Energy: 1.1377706691282996
Energy: 1.2676189650444378
Energy: 1.1490508222770464
Energy: 1.2676189650437408
Energy: 1.1490508222791371
Energy: 1.267618965043044
Energy: 1.1490508222763496
Energy: 1.100201032145389
Energy: 1.1825349113599382
Energy: 1.100201032145389
Energy: 1.1825349113592414
Energy: 1.1002010321460858
Energy: 1.1825349113585444
Energy: 1.157150267670356
Energy: 1.1501568252248122
Energy: 1.157150267670356
Energy: 1.1501568252248122
Energy: 1.157150267670356
Energy: 1.1501568252241154
Energy: 1.174738278581989
Energy: 1.128205951661962
Energy: 1.1747382785812923
Energy: 1.128205951661962
Energy: 1.174738278581989
Energy: 1.128205951661265
Energy: 1.1892307587729223
Energy: 1.185374288417687
Energy: 1.1892307587729223
Energy: 1.185374288416293
Energy: 1.1892307587729223
Energy: 1.185374288416293
Energy: 1.1279088336051304
Energy: 1.176516488252583
Energy: 1.1279088336044334
Energy: 1.1765164882518861
Energy: 1.1279088336051304
Energy: 1.1765164882532801
Energy: 1.129721827497076
Energy: 1.0756139351297203
Energy: 1.129721827496379
Energy: 1.0756139351304175
Energy: 1.129721827497076
Energy: 1.0756139351297203
Energy: 1.0797681583407805
Energy: 1.267408455698423
Energy: 1.0797681583435683
Energy: 1.2674084556977263
Energy: 1.0797681583435683
Energy: 1.267408455698423
Energy: 0.9284604817558137
Energy: 1.364716956999614
Energy: 0.9284604817558137
Energy: 1.3647169570003108
Energy: 0.9284604817551169
Energy: 1.364716956999614
Energy: 1.017360742422639
Energy: 1.0288205202619372
Energy: 1.0173607424219422
Energy: 1.0288205202626342
Energy: 1.017360742422639
Energy: 1.0288205202619372
Energy: 1.0170044820681943
Energy: 1.3842361813820867
Energy: 1.0170044820688915
Energy: 1.3842361813820867
Energy: 1.0170044820668007
Energy: 1.3842361813827835
Energy: 1.2118706187676356
Energy: 1.274497602040189
Energy: 1.2118706187683324
Energy: 1.2744976020408858
Energy: 1.2118706187697263
Energy: 1.2744976020408858
Energy: 0.9905902256913174
Energy: 1.0281216673301266
Energy: 0.9905902256899235
Energy: 1.0281216673308236
Energy: 0.9905902256913174
Energy: 1.0281216673301266
Energy: 0.9281208203838701
Energy: 1.1764270327293573
Energy: 0.9281208203817793
Energy: 1.176427032730751
Energy: 0.9281208203824762
Energy: 1.1764270327293573

minimum gb energy = 0.9281208203817793 eV
minimum distance =  2.28414690721946 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.2068141812276671
Energy: 0.8942641784261743
Energy: 1.2068141812281752
Energy: 0.8942641784256666
Energy: 1.2068141812281752
Energy: 0.8942641784256666
Energy: 0.9806727861203374
Energy: 1.0266990025066443
Energy: 0.9806727861203374
Energy: 1.0266990025061364
Energy: 0.9806727861198294
Energy: 1.0266990025061364
Energy: 0.967218358066522
Energy: 1.0267402139140263
Energy: 0.967218358066522
Energy: 1.026740213915042
Energy: 0.967218358066522
Energy: 1.0267402139145339
Energy: 1.1486542406829034
Energy: 0.9415281566530913
Energy: 1.1486542406834113
Energy: 0.9415281566525834
Energy: 1.1486542406829034
Energy: 0.9415281566530913
Energy: 1.1234327411987934
Energy: 0.9819108334729184
Energy: 1.123432741199301
Energy: 0.9819108334734264
Energy: 1.123432741199301
Energy: 0.9819108334734264
Energy: 0.9304725887814187
Energy: 0.9792780042527709
Energy: 0.930472588780911
Energy: 0.9792780042527709
Energy: 0.930472588780911
Energy: 0.9792780042527709
Energy: 1.1111555541527414
Energy: 1.0219144168254706
Energy: 1.1111555541527414
Energy: 1.0219144168254706
Energy: 1.1111555541522335
Energy: 1.0219144168254706
Energy: 1.1686541135821147
Energy: 1.075503623873198
Energy: 1.1686541135816069
Energy: 1.075503623873198
Energy: 1.1686541135821147
Energy: 1.075503623873198
Energy: 0.8806055723338795
Energy: 0.9685257238100438
Energy: 0.8806055723338795
Energy: 0.9685257238100438
Energy: 0.8806055723338795
Energy: 0.9685257238100438
Energy: 0.9864108807343114
Energy: 0.8673565216877016
Energy: 0.9864108807343114
Energy: 0.8673565216866859
Energy: 0.9864108807348191
Energy: 0.8673565216877016
Energy: 1.100793087094661
Energy: 1.067058892231167
Energy: 1.1007930870941531
Energy: 1.067058892231167
Energy: 1.1007930870941531
Energy: 1.067058892231167
Energy: 0.8426818605909349
Energy: 0.967037099274091
Energy: 0.8426818605909349
Energy: 0.967037099274599
Energy: 0.8426818605975361
Energy: 0.967037099274599
Energy: 0.9859955129544239
Energy: 0.8317821952764636
Energy: 0.9859955129549316
Energy: 0.8317821952759556
Energy: 0.9859955129549316
Energy: 0.8317821952759556
Energy: 1.0715383967241323
Energy: 1.0689897977194494
Energy: 1.0715383967246401
Energy: 1.0689897977189415
Energy: 1.0715383967251477
Energy: 1.0689897977194494
Energy: 0.8626890974127603
Energy: 0.9669062195330166
Energy: 0.8626890974137759
Energy: 0.9669062195320012
Energy: 0.8626890974142838
Energy: 0.9669062195330166
Energy: 1.0085871284053767
Energy: 0.9202933180392677
Energy: 1.0085871284053767
Energy: 0.9202933180397757
Energy: 1.0085871284053767
Energy: 0.9202933180392677
Energy: 1.1075138348048246
Energy: 1.1193180223010095
Energy: 1.1075138348048246
Energy: 1.1193180223010095
Energy: 1.107513834804317
Energy: 1.1193180223005017
Energy: 0.8937569214201099
Energy: 1.0963824205531356
Energy: 0.8937569214211256
Energy: 1.0963824205531356
Energy: 0.8937569214206176
Energy: 1.0963824205531356
Energy: 0.9775530549092364
Energy: 0.9656256297047195
Energy: 0.9775530549102518
Energy: 0.9656256297052273
Energy: 0.9775530549097441
Energy: 0.9656256297047195
Energy: 1.1398702967050816
Energy: 1.1107184616097796
Energy: 1.139870296706097
Energy: 1.1107184616102876
Energy: 1.1398702967055891
Energy: 1.1107184616102876
Energy: 0.9594485403875089
Energy: 1.159037941813756
Energy: 0.9594485403870011
Energy: 1.1590379418132482
Energy: 0.9594485403870011
Energy: 1.159037941813756
Energy: 1.0377065413592446
Energy: 1.0166477794598041
Energy: 1.0377065413597524
Energy: 1.0166477794598041
Energy: 1.0377065413592446
Energy: 1.0166477794598041
Energy: 1.1668622212842819
Energy: 0.9738221704544978
Energy: 1.1668622212842819
Energy: 0.9738221704544978
Energy: 1.1668622212842819
Energy: 0.9738221704544978
Energy: 1.0236500592461146
Energy: 1.1595229261985265
Energy: 1.0236500592456068
Energy: 1.1595229261985265
Energy: 1.0236500592456068
Energy: 1.1595229261990343
Energy: 0.9809918618300367
Energy: 1.0252802280703721
Energy: 0.9809918618305444
Energy: 1.0252802280703721
Energy: 0.980991861829529
Energy: 1.0252802280703721
Energy: 0.9807375935348325
Energy: 0.9429924953032423
Energy: 0.9807375935348325
Energy: 0.9429924953032423
Energy: 0.9807375935353402
Energy: 0.94299249530375
Energy: 0.9447328219837675
Energy: 1.1099257154220914
Energy: 0.9282609830090023
Energy: 1.109925715423107
Energy: 0.9282609830095101
Energy: 1.109925715423107
Energy: 0.9489147810845673
Energy: 0.9512277767064424
Energy: 0.9489147810835515
Energy: 0.9512277767059346
Energy: 0.9489147810845673
Energy: 0.9512277767064424
Energy: 0.8599323922331035
Energy: 0.8844157142065598
Energy: 0.8599323922336112
Energy: 0.8844157142065598
Energy: 0.8599323922341191
Energy: 0.8844157142065598
Energy: 0.8627198860656247
Energy: 1.0820069936358458
Energy: 0.862719886065117
Energy: 1.082006993635338
Energy: 0.862719886065117
Energy: 1.082006993635338
Energy: 0.9373919434025482
Energy: 1.1674216906113473
Energy: 0.9373919434030559
Energy: 1.167421690611855
Energy: 0.9373919434035638
Energy: 1.1674216906113473
Energy: 0.9598324761115488
Energy: 0.8570821832501209
Energy: 0.9598324761110408
Energy: 0.8570821832506286
Energy: 0.9598324761115488
Energy: 0.8570821832506286
Energy: 0.8391902952177378
Energy: 1.1982276549929212
Energy: 0.8391902952172301
Energy: 1.1982276549924133
Energy: 0.8391902952177378
Energy: 1.1982276549929212
Energy: 1.0786197669865167
Energy: 1.068783475577813
Energy: 1.0786197669865167
Energy: 1.068783475577813
Energy: 1.0786197669870246
Energy: 1.0687834755783205
Energy: 0.9587405889996092
Energy: 0.9517631152858911
Energy: 0.9587405889996092
Energy: 0.9517631152858911
Energy: 0.9587405889996092
Energy: 0.9517631152858911
Energy: 0.7756116078729576
Energy: 0.9562034391031886
Energy: 0.7756116078729576
Energy: 0.9562034391026809
Energy: 0.775611607871942
Energy: 0.9562034391031886

minimum gb energy = 0.775611607871942 eV
minimum distance =  2.28603612295153 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.3451360569324315
Energy: 0.4014134031236478
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.3451360569324315
Energy: 0.4014134031236478
Energy: 0.9581536876667692
Energy: 0.08318962749583673
Energy: 0.9581536876667692
Energy: 0.08318962749583673
Energy: 0.9581536876667692
Energy: 0.08318962743799829
Energy: 0.8945437049928108
Energy: 0.082198149717359
Energy: 0.8945437049928108
Energy: 0.082198149717359
Energy: 0.8945437049928108
Energy: 0.082198149717359
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.9581536876667692
Energy: 0.0831896267125584
Energy: 0.9581536876667692
Energy: 0.08318962677781747
Energy: 0.9581536876667692
Energy: 0.08318962673121597
Energy: 0.8945437049946766
Energy: 0.082198149717359
Energy: 0.8945437049946766
Energy: 0.082198149717359
Energy: 0.8945437049946766
Energy: 0.08219814971549325
Energy: 0.3451360569324315
Energy: 0.4014134031236478
Energy: 0.08155698878167823
Energy: 0.4014134031236478
Energy: 0.3451360569324315
Energy: 0.4014134031236478
Energy: 0.9581536876667692
Energy: 0.08318962683379015
Energy: 0.9581536876667692
Energy: 0.08318962672375296
Energy: 0.9581536876667692
Energy: 0.08318962660811847
Energy: 0.8945437049946766
Energy: 0.08219814971549325
Energy: 0.8945437049946766
Energy: 0.08219814971549325
Energy: 0.8945437049946766
Energy: 0.08219814971549325
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.08155698878167823
Energy: 0.4014134031217821
Energy: 0.08155698878167823
Energy: 0.4014134031236478

minimum gb energy = 0.08155698878167823 eV
minimum distance =  2.45873644028216 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.066430302428277
Energy: 0.8845350519506009
Energy: 1.0664303024288355
Energy: 0.8845350519500426
Energy: 1.066430302428277
Energy: 0.8845350519506009
Energy: 0.8868789314062528
Energy: 1.0229935166741888
Energy: 0.8868789314056945
Energy: 1.0229935166747472
Energy: 0.8868789314056945
Energy: 1.0229935166747472
Energy: 0.9751513979461792
Energy: 0.995024431922165
Energy: 0.9751513979456209
Energy: 0.9950244319227233
Energy: 0.9751513979461792
Energy: 0.995024431922165
Energy: 0.9983648286103088
Energy: 0.9360873752712079
Energy: 0.9983648286108674
Energy: 0.9360873752706497
Energy: 0.9983648286103088
Energy: 0.9360873752706497
Energy: 0.7760994272402797
Energy: 1.005149840534058
Energy: 0.776099427240838
Energy: 1.005149840534058
Energy: 0.7760994272402797
Energy: 1.005149840534058
Energy: 0.9249882681376448
Energy: 0.9693831033502308
Energy: 0.9249882681376448
Energy: 0.9693831033496724
Energy: 0.9249882681376448
Energy: 0.9693831033502308
Energy: 0.9545311837718404
Energy: 0.9927707275890342
Energy: 0.954531183771282
Energy: 0.9927707275890342
Energy: 0.954531183771282
Energy: 0.9927707275890342
Energy: 0.7695802133694141
Energy: 0.909656949181462
Energy: 0.7695802133705306
Energy: 0.9096569491775537
Energy: 0.7695802133694141
Energy: 0.909656949178112
Energy: 0.953445585393619
Energy: 0.9669952473315433
Energy: 0.9534455853930607
Energy: 0.9669952473315433
Energy: 0.953445585393619
Energy: 0.9669952473315433
Energy: 0.9709955910055276
Energy: 0.9444924451384851
Energy: 0.9709955910049695
Energy: 0.9444924451384851
Energy: 0.9709955910055276
Energy: 0.9444924451390433
Energy: 0.843733811314763
Energy: 0.9064842524945287
Energy: 0.843733811314763
Energy: 0.9064842524939704
Energy: 0.8437338113153213
Energy: 0.9064842524945287
Energy: 0.9805900792725143
Energy: 0.9762435370479455
Energy: 0.9805900792725143
Energy: 0.9762435370485039
Energy: 0.9805900792725143
Energy: 0.9762435370479455
Energy: 0.9614234256277202
Energy: 0.7728442090038743
Energy: 0.9614234256271619
Energy: 0.7728442090038743
Energy: 0.9614234256266034
Energy: 0.7728442090038743
Energy: 0.8768005963978682
Energy: 0.9560580827676841
Energy: 0.8768005963978682
Energy: 0.9560580827676841
Energy: 0.8768005963978682
Energy: 0.9560580827676841
Energy: 0.9590917271348064
Energy: 0.9439089903713023
Energy: 0.9590917271353646
Energy: 0.9439089903713023
Energy: 0.9590917271348064
Energy: 0.9439089903713023
Energy: 0.9750297949286051
Energy: 0.7736169231382448
Energy: 0.9750297949286051
Energy: 0.7736169231388033
Energy: 0.9750297949297219
Energy: 0.7736169231399198
Energy: 0.973693383007327
Energy: 0.9859557391119471
Energy: 0.9736933830067689
Energy: 0.9859557391119471
Energy: 0.9736933830067689
Energy: 0.9859557391119471
Energy: 0.9870940942408415
Energy: 0.9167241982009131
Energy: 0.9870940942408415
Energy: 0.9167241982014716
Energy: 0.9870940942402832
Energy: 0.9167241982009131
Energy: 0.9870953492832254
Energy: 0.8747066410204803
Energy: 0.987095349282667
Energy: 0.874706641021597
Energy: 0.987095349282667
Energy: 0.8747066410210387
Energy: 0.9035346815560448
Energy: 1.0439245533024493
Energy: 0.9035346815554862
Energy: 1.0439245533024493
Energy: 0.9035346815554862
Energy: 1.0439245533024493
Energy: 0.9778972351496126
Energy: 0.894186171864946
Energy: 0.9778972351496126
Energy: 0.8941861718660625
Energy: 0.9778972351501709
Energy: 0.8941861718643876
Energy: 1.0410414219905344
Energy: 0.8893506555500666
Energy: 1.0410414219905344
Energy: 0.8893506555511832
Energy: 1.0410414219905344
Energy: 0.8893506555500666
Energy: 0.9560153116158718
Energy: 1.0415374402100186
Energy: 0.9560153116158718
Energy: 1.0415374402100186
Energy: 0.9560153116158718
Energy: 1.0415374402105768
Energy: 1.0442355464817785
Energy: 0.8722678847528149
Energy: 1.0442355464812203
Energy: 0.8722678847528149
Energy: 1.0442355464817785
Energy: 0.8722678847533734
Energy: 0.9859453532702406
Energy: 0.9247079375286292
Energy: 0.9859453532691239
Energy: 0.9247079375291876
Energy: 0.9859453532702406
Energy: 0.9247079375291876
Energy: 0.8934611004566925
Energy: 0.9671058137727996
Energy: 0.8934611004566925
Energy: 0.9671058137727996
Energy: 0.8934611004566925
Energy: 0.9671058137733579
Energy: 1.0382812985643735
Energy: 0.8196869518696837
Energy: 1.0382812985643735
Energy: 0.819686951868567
Energy: 1.038281298563815
Energy: 0.8196869518696837
Energy: 0.9413127971088009
Energy: 0.9556374488970214
Energy: 0.9413127971088009
Energy: 0.9556374488970214
Energy: 0.9413127971082426
Energy: 0.9556374488970214
Energy: 0.8345652791415128
Energy: 1.0054249191321674
Energy: 0.8345652791409545
Energy: 1.0054249191321674
Energy: 0.8345652791409545
Energy: 1.0054249191316091
Energy: 1.0586267472635444
Energy: 0.8808110986904626
Energy: 1.0586267472635444
Energy: 0.8808110986904626
Energy: 1.0586267472635444
Energy: 0.8808110986910209
Energy: 0.9474711587255086
Energy: 0.9529753006486761
Energy: 0.9474711587260668
Energy: 0.9529753006486761
Energy: 0.9474711587255086
Energy: 0.9529753006492345
Energy: 0.810572049345812
Energy: 0.9496617444028465
Energy: 0.8105720493452537
Energy: 0.9496617444028465
Energy: 0.8105720493452537
Energy: 0.9496617444022882
Energy: 0.9441672971218131
Energy: 0.9883896463547422
Energy: 0.9441672971223715
Energy: 0.9883896463547422
Energy: 0.9441672971223715
Energy: 0.9883896463547422

minimum gb energy = 0.7695802133694141 eV
minimum distance =  2.3452006606323 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.2237783639929136
Energy: 1.107916546842215
Energy: 1.2237783639929136
Energy: 1.107916546842215
Energy: 1.2237783639937092
Energy: 1.107916546842215
Energy: 1.0773302232803548
Energy: 1.1992332658801923
Energy: 1.0773302232803548
Energy: 1.1992332658801923
Energy: 1.0773302232811504
Energy: 1.1992332658801923
Energy: 1.146852799608239
Energy: 1.1666947736550668
Energy: 1.1468527996090343
Energy: 1.1666947736550668
Energy: 1.146852799608239
Energy: 1.1666947736550668
Energy: 1.1671246062483425
Energy: 1.0935975057208407
Energy: 1.1671246062483425
Energy: 1.0935975057216363
Energy: 1.1671246062483425
Energy: 1.0935975057216363
Energy: 0.962155803079776
Energy: 1.0600617508759016
Energy: 0.9621558030789806
Energy: 1.0600617508766972
Energy: 0.9621558030789806
Energy: 1.0600617508766972
Energy: 1.1494166743616705
Energy: 1.1483471533833178
Energy: 1.1494166743616705
Energy: 1.1483471533841134
Energy: 1.1494166743616705
Energy: 1.1483471533833178
Energy: 1.0811011954051972
Energy: 1.1899021477862695
Energy: 1.0811011954044019
Energy: 1.1899021477862695
Energy: 1.0811011954051972
Energy: 1.1899021477862695
Energy: 1.0813573612564678
Energy: 1.0522665651721255
Energy: 1.0813573612564678
Energy: 1.0522665651721255
Energy: 1.0813573612572633
Energy: 1.0522665651721255
Energy: 1.1823753254320033
Energy: 1.1992993361209467
Energy: 1.1823753254320033
Energy: 1.1992993361209467
Energy: 1.1823753254304121
Energy: 1.1992993361209467
Energy: 1.1643517500527025
Energy: 0.9930999958659297
Energy: 1.164351750053498
Energy: 0.9930999958659297
Energy: 1.164351750053498
Energy: 0.993099995865134
Energy: 1.1508492030973119
Energy: 1.1433461922733816
Energy: 1.150849203096516
Energy: 1.1433461922733816
Energy: 1.150849203098107
Energy: 1.1433461922741772
Energy: 1.1661834359278858
Energy: 1.1335846058373582
Energy: 1.1661834359278858
Energy: 1.1335846058373582
Energy: 1.1661834359278858
Energy: 1.1335846058373582
Energy: 1.1399361581504577
Energy: 1.2214713233064969
Energy: 1.139936158149662
Energy: 1.2214713233064969
Energy: 1.139936158149662
Energy: 1.2214713233064969
Energy: 1.1829187516223656
Energy: 1.1782438848709815
Energy: 1.1829187516223656
Energy: 1.178243884870186
Energy: 1.1829187516223656
Energy: 1.178243884870186
Energy: 1.1090479461377167
Energy: 1.077595976474024
Energy: 1.1090479461377167
Energy: 1.077595976474024
Energy: 1.1090479461377167
Energy: 1.077595976474024
Energy: 1.1898879167357501
Energy: 1.1158439482552478
Energy: 1.1898879167357501
Energy: 1.1158439482536566
Energy: 1.1898879167349543
Energy: 1.1158439482544524
Energy: 1.0976496230586328
Energy: 1.187006131775532
Energy: 1.0976496230578372
Energy: 1.187006131775532
Energy: 1.0976496230586328
Energy: 1.187006131775532
Energy: 1.1210375978282328
Energy: 1.058132401430263
Energy: 1.1210375978290281
Energy: 1.058132401430263
Energy: 1.1210375978290281
Energy: 1.058132401430263
Energy: 1.1517039294923823
Energy: 1.2058873443463887
Energy: 1.151703929493178
Energy: 1.205887344345593
Energy: 1.1517039294923823
Energy: 1.2058873443463887
Energy: 1.2209869654708367
Energy: 1.1965357744024416
Energy: 1.2209869654716323
Energy: 1.1965357744024416
Energy: 1.2209869654716323
Energy: 1.1965357744024416
Energy: 1.2261624659970634
Energy: 1.0786360064919993
Energy: 1.226162465997859
Energy: 1.0786360064912037
Energy: 1.2261624659970634
Energy: 1.0786360064912037
Energy: 1.1679107686094112
Energy: 1.2001359054067544
Energy: 1.1679107686086159
Energy: 1.2001359054059588
Energy: 1.1679107686086159
Energy: 1.2001359054059588
Energy: 1.0223091345944169
Energy: 1.165648269965539
Energy: 1.0223091345944169
Energy: 1.1656482699647435
Energy: 1.0223091345944169
Energy: 1.1656482699647435

minimum gb energy = 0.9621558030789806 eV
minimum distance =  2.32830135934705 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.3443003503064785
Energy: 1.1810896368875838
Energy: 1.3443003503064785
Energy: 1.1810896368875838
Energy: 1.3443003503064785
Energy: 1.1810896368875838
Energy: 1.201256391390977
Energy: 1.2974721040769202
Energy: 1.2012563913914818
Energy: 1.2974721040774249
Energy: 1.2012563913914818
Energy: 1.2974721040769202
Energy: 1.313628454287608
Energy: 1.2987448776281367
Energy: 1.3136284542871033
Energy: 1.2987448776281367
Energy: 1.313628454287608
Energy: 1.2987448776286412
Energy: 1.286074429994374
Energy: 1.1916048732358773
Energy: 1.286074429994374
Energy: 1.1916048732358773
Energy: 1.2860744299953835
Energy: 1.1916048732358773
Energy: 1.2101120018649274
Energy: 1.3131447554203048
Energy: 1.2101120018649274
Energy: 1.3131447554203048
Energy: 1.2101120018644227
Energy: 1.3131447554198004
Energy: 1.4293936570350696
Energy: 1.313606501845459
Energy: 1.4293936570340602
Energy: 1.313606501845459
Energy: 1.429393657034565
Energy: 1.3136065018449543
Energy: 1.1991294975978282
Energy: 1.1508024476660386
Energy: 1.1991294975978282
Energy: 1.150802447665534
Energy: 1.1991294975983326
Energy: 1.1508024476665433
Energy: 1.2953246852491636
Energy: 1.279600945412433
Energy: 1.2953246852491636
Energy: 1.279600945412433
Energy: 1.2953246852491636
Energy: 1.279600945412433
Energy: 1.2762990144792719
Energy: 1.2863118084600265
Energy: 1.2762990144797763
Energy: 1.2863118084600265
Energy: 1.2762990144792719
Energy: 1.2863118084600265
Energy: 1.4061448683802735
Energy: 1.3073407498754253
Energy: 1.4061448683802735
Energy: 1.2174007126064357
Energy: 1.4061448683797688
Energy: 1.2174007126044168
Energy: 1.310178469039629
Energy: 1.2945125305700969
Energy: 1.310178469039629
Energy: 1.2945125305706016
Energy: 1.3101784690401335
Energy: 1.2945125305706016
Energy: 1.204110206314327
Energy: 1.203803636635732
Energy: 1.204110206314327
Energy: 1.203803636635732
Energy: 1.204110206314327
Energy: 1.203803636635732
Energy: 1.3277907052315003
Energy: 1.2441007881150705
Energy: 1.3277907052315003
Energy: 1.244100788114566
Energy: 1.3277907052315003
Energy: 1.244100788114566
Energy: 1.2614965386919033
Energy: 1.275994574030998
Energy: 1.2614965386908938
Energy: 1.275994574030998
Energy: 1.261496538692408
Energy: 1.275994574030998
Energy: 1.2403656187944683
Energy: 1.2313996992254073
Energy: 1.240365618794973
Energy: 1.2313996992249026
Energy: 1.240365618794973
Energy: 1.2313996992249026
Energy: 1.2858634481492381
Energy: 1.3163515868358027
Energy: 1.2858634481497428
Energy: 1.3163515868358027
Energy: 1.2858634481492381
Energy: 1.3163515868358027
Energy: 1.1923212307444218
Energy: 1.3247533525612534
Energy: 1.1923212307449265
Energy: 1.3247533525612534
Energy: 1.1923212307449265
Energy: 1.324753352561758
Energy: 1.3171004590115416
Energy: 1.364778956481327
Energy: 1.3171004590115416
Energy: 1.364778956481327
Energy: 1.3171004590115416
Energy: 1.364778956481327
Energy: 1.195468108398658
Energy: 1.3667550617591129
Energy: 1.1954681083991627
Energy: 1.3667550617586082
Energy: 1.1954681083991627
Energy: 1.3667550617591129
Energy: 1.3392775510932675
Energy: 1.300868165842202
Energy: 1.3392775510937722
Energy: 1.300868165842202
Energy: 1.3392775510932675
Energy: 1.300868165842202
Energy: 1.358656114102285
Energy: 1.3154459501375577
Energy: 1.358656114101276
Energy: 1.3154459501380622
Energy: 1.358656114102285
Energy: 1.3154459501375577
Energy: 1.2386365621108673
Energy: 1.182411640237161
Energy: 1.2386365621118767
Energy: 1.182411640237161
Energy: 1.2386365621108673
Energy: 1.182411640237161
Energy: 1.2047693577361964
Energy: 1.2946454553938982
Energy: 1.2047693577372058
Energy: 1.294645455392889
Energy: 1.2047693577361964
Energy: 1.2946454553938982
Energy: 1.3686592846453673
Energy: 1.2079540526500436
Energy: 1.3686592846448626
Energy: 1.2079540526500436
Energy: 1.3686592846458718
Energy: 1.207954052649539
Energy: 1.2161860625580416
Energy: 1.211799768583626
Energy: 1.216186062556023
Energy: 1.2117997685841306
Energy: 1.216186062559051
Energy: 1.211799768583626
Energy: 1.2435376964634273
Energy: 1.2899416181532328
Energy: 1.2435376964624179
Energy: 1.2899416181532328
Energy: 1.2435376964624179
Energy: 1.2899416181532328
Energy: 1.1993829694455431
Energy: 1.1820797324167924
Energy: 1.199382969450085
Energy: 1.1820797324172971
Energy: 1.1993829694480664
Energy: 1.1820797324167924
Energy: 1.3595343003059588
Energy: 1.3397042163267041
Energy: 1.3595343003054539
Energy: 1.3397042163267041
Energy: 1.3595343003054539
Energy: 1.3397042163267041
Energy: 1.3364927482785756
Energy: 1.3112788920734313
Energy: 1.3364927482810993
Energy: 1.311278892073936
Energy: 1.336492748279585
Energy: 1.3112788920734313
Energy: 1.195144412865544
Energy: 1.145722312968839
Energy: 1.195144412865544
Energy: 1.1457223129698484
Energy: 1.195144412865544
Energy: 1.1457223129698484
Energy: 1.3646847651477245
Energy: 1.366241979416531
Energy: 1.3646847651477245
Energy: 1.366241979416531
Energy: 1.3646847651477245
Energy: 1.366241979416531
Energy: 1.2135904995254445
Energy: 1.3003527319948627
Energy: 1.2135904995259492
Energy: 1.3003527319953674
Energy: 1.2135904995254445
Energy: 1.3003527319953674
Energy: 1.2843468919353787
Energy: 1.3144651049837304
Energy: 1.284346891934874
Energy: 1.3144651049832259
Energy: 1.284346891934874
Energy: 1.3144651049837304
Energy: 1.2485802238072758
Energy: 1.2970904074325293
Energy: 1.24858022380879
Energy: 1.2970904074325293
Energy: 1.2485802238077806
Energy: 1.297090407433034
Energy: 1.2072513667214066
Energy: 1.2990438874283263
Energy: 1.2072513667214066
Energy: 1.299043887428831
Energy: 1.207251366720902
Energy: 1.299043887428831
Energy: 1.3500102228676578
Energy: 1.24483695782699
Energy: 1.3500102228676578
Energy: 1.2448369578264853
Energy: 1.3500102228676578
Energy: 1.24483695782699
Energy: 1.2018202166116025
Energy: 1.230589095758786
Energy: 1.2018202166121073
Energy: 1.230589095758786
Energy: 1.2018202166121073
Energy: 1.230589095758786

minimum gb energy = 1.145722312968839 eV
minimum distance =  2.31902803446456 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.4888588696658125
Energy: 1.3519661651726038
Energy: 1.4888588696658125
Energy: 1.3519661651726038
Energy: 1.4888588696658125
Energy: 1.3519661651726038
Energy: 1.3531782930985572
Energy: 1.4425633806680842
Energy: 1.3531782930985572
Energy: 1.4425633806680842
Energy: 1.3531782930985572
Energy: 1.4425633806680842
Energy: 1.6248673437125176
Energy: 1.4441399693456682
Energy: 1.5653221636993753
Energy: 1.4441399693442905
Energy: 1.5653221636993753
Energy: 1.4441399693442905
Energy: 1.510558913349294
Energy: 1.5673633241503775
Energy: 1.5105589133479158
Energy: 1.5673633241517553
Energy: 1.5105589133479158
Energy: 1.5673633241517553
Energy: 1.46964295280189
Energy: 1.4495059094941902
Energy: 1.46964295280189
Energy: 1.4495059094941902
Energy: 1.46964295280189
Energy: 1.4495059094941902
Energy: 1.5758427172332061
Energy: 1.4783498941394217
Energy: 1.5758427172332061
Energy: 1.4783498941380437
Energy: 1.5758427172332061
Energy: 1.4783498941394217
Energy: 1.5066969114311881
Energy: 1.3672208041694103
Energy: 1.5066969114311881
Energy: 1.3672208041694103
Energy: 1.5066969114311881
Energy: 1.3672208041694103
Energy: 1.438851041143104
Energy: 1.469215028707239
Energy: 1.438851041143104
Energy: 1.469215028707239
Energy: 1.438851041143104
Energy: 1.469215028707239
Energy: 1.3528035041768063
Energy: 1.3629240761751633
Energy: 1.3528035041768063
Energy: 1.3629240761751633
Energy: 1.3528035041768063
Energy: 1.3629240761751633
Energy: 1.5017493819122747
Energy: 1.3885284379316711
Energy: 1.5017493819122747
Energy: 1.3885284379316711
Energy: 1.5017493819122747
Energy: 1.3885284379316711
Energy: 1.3540082827989168
Energy: 1.4436720376830938
Energy: 1.3540082827989168
Energy: 1.4436720376830938
Energy: 1.3540082827989168
Energy: 1.4436720376830938
Energy: 1.4340180823855289
Energy: 1.4407588175044992
Energy: 1.4340180823855289
Energy: 1.4407588175044992
Energy: 1.4340180823855289
Energy: 1.4407588175044992
Energy: 1.4789913921680156
Energy: 1.4674773654487845
Energy: 1.4789913921693936
Energy: 1.4674773654487845
Energy: 1.4789913921680156
Energy: 1.4674773654487845
Energy: 1.4715939072492743
Energy: 1.4644482954972773
Energy: 1.4715939072492743
Energy: 1.4644482954986553
Energy: 1.4715939072492743
Energy: 1.4644482954986553

minimum gb energy = 1.3519661651726038 eV
minimum distance =  2.27512899911145 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.6537329108528467
Energy: 1.6379030724604733
Energy: 1.6537329108534515
Energy: 1.6379030724604733
Energy: 1.6537329108534515
Energy: 1.6379030724604733
Energy: 1.444063942261237
Energy: 1.599348939825352
Energy: 1.444063942261237
Energy: 1.599348939825352
Energy: 1.444063942261237
Energy: 1.599348939825352
Energy: 1.5805555839022256
Energy: 1.552670544603615
Energy: 1.620801558873089
Energy: 1.5526705446030096
Energy: 1.5805555839022256
Energy: 1.552670544603615
Energy: 1.5590209081915438
Energy: 1.4485328486993037
Energy: 1.5590209081909385
Energy: 1.4485328486999092
Energy: 1.559020908190333
Energy: 1.4485328486993037
Energy: 1.6049061997332776
Energy: 1.5356277087965713
Energy: 1.6049061997326723
Energy: 1.5356277087965713
Energy: 1.6049061997326723
Energy: 1.5356277087965713
Energy: 1.5230020789104626
Energy: 1.5748978098872954
Energy: 1.5230020789104626
Energy: 1.5748978098866901
Energy: 1.5230020789104626
Energy: 1.5748978098872954
Energy: 1.5722501325069134
Energy: 1.537357915253351
Energy: 1.5722501325069134
Energy: 1.537357915253351
Energy: 1.5722501325063079
Energy: 1.537357915253351
Energy: 1.5300925595351662
Energy: 1.5709363860816241
Energy: 1.5300925595357717
Energy: 1.5709363860810188
Energy: 1.5300925595351662
Energy: 1.5709363860810188
Energy: 1.5514374267563407
Energy: 1.5457016774620067
Energy: 1.5514374267563407
Energy: 1.5457016774626118
Energy: 1.5514374267557351
Energy: 1.5457016774626118
Energy: 1.5358325235032837
Energy: 1.5397699342566782
Energy: 1.5358325235032837
Energy: 1.5397699342566782
Energy: 1.5358325235032837
Energy: 1.539769934256073
Energy: 1.524268036494641
Energy: 1.5867213657615067
Energy: 1.5242680364952192
Energy: 1.5867213657615067
Energy: 1.5242680364952192
Energy: 1.5867213657615067
Energy: 1.5657819605611556
Energy: 1.5909200210865215
Energy: 1.5657819605611556
Energy: 1.5909200210865215
Energy: 1.5657819605611556
Energy: 1.5909200210859162
Energy: 1.5606809992682467
Energy: 1.4914650085359449
Energy: 1.5606809992676414
Energy: 1.4914650085359449
Energy: 1.5606809992682467
Energy: 1.4914650085359449
Energy: 1.53471847444412
Energy: 1.5774951144111393
Energy: 1.5347184744435147
Energy: 1.5774951144111393
Energy: 1.53471847444412
Energy: 1.5774951144111393
Energy: 1.4937677351781538
Energy: 1.5124509182067711
Energy: 1.4937677351787593
Energy: 1.5124509182067711
Energy: 1.4937677351781538
Energy: 1.5124509182067711
Energy: 1.5774759953453612
Energy: 1.5382067264283936
Energy: 1.5774759953447557
Energy: 1.5382067264289987
Energy: 1.5774759953447557
Energy: 1.5382067264283936
Energy: 1.4673905393294255
Energy: 1.5543616019298985
Energy: 1.4673905393294255
Energy: 1.5543616019298985
Energy: 1.4673905393294255
Energy: 1.5543616019298985
Energy: 1.5757163703136026
Energy: 1.5872102556174317
Energy: 1.575716370314208
Energy: 1.587210255618037
Energy: 1.575716370314208
Energy: 1.5872102556174317
Energy: 1.523170986391188
Energy: 1.4536124310513905
Energy: 1.5231709863917933
Energy: 1.4536124310513905
Energy: 1.523170986391188
Energy: 1.4536124310507854
Energy: 1.5291119939082787
Energy: 1.5597257746216484
Energy: 1.529111993908884
Energy: 1.5597257746216484
Energy: 1.5291119939094893
Energy: 1.5597257746216484
Energy: 1.4516325404862775
Energy: 1.49386093705296
Energy: 1.4516325404862775
Energy: 1.49386093705296
Energy: 1.4516325404862775
Energy: 1.49386093705296
Energy: 1.606391855562476
Energy: 1.6460184228027481
Energy: 1.6063918555630816
Energy: 1.6460184228027481
Energy: 1.606391855562476
Energy: 1.6460184228027481
Energy: 1.5086142281665775
Energy: 1.5525168748528084
Energy: 1.5086142281659722
Energy: 1.5525168748528084
Energy: 1.5086142281665775
Energy: 1.5525168748528084
Energy: 1.5855511605162276
Energy: 1.5984120216814424
Energy: 1.5855511605162276
Energy: 1.5984120216814424
Energy: 1.5855511605162276
Energy: 1.5984120216814424
Energy: 1.5351026735436046
Energy: 1.544675383727304
Energy: 1.5351026735436046
Energy: 1.544675383727304
Energy: 1.5351026735436046
Energy: 1.544675383727304
Energy: 1.469917846343669
Energy: 1.5729816686055051
Energy: 1.469917846343064
Energy: 1.5729816686055051
Energy: 1.469917846343064
Energy: 1.5729816686055051
Energy: 1.5229908921305069
Energy: 1.5936856799133288
Energy: 1.5229908921311124
Energy: 1.5936856799133288
Energy: 1.5229908921311124
Energy: 1.5936856799133288
Energy: 1.5608788638475648
Energy: 1.488339101313229
Energy: 1.5608788638475648
Energy: 1.4883391013126235
Energy: 1.5608788638475648
Energy: 1.4883391013126235
Energy: 1.5334603911501647
Energy: 1.6033510465847398
Energy: 1.5334603911507703
Energy: 1.6033510465847398
Energy: 1.5334603911507703
Energy: 1.6033510465847398
Energy: 1.4952728467892706
Energy: 1.4319996481096968
Energy: 1.4952728467892706
Energy: 1.4319996481096968
Energy: 1.4952728467886653
Energy: 1.4319996481096968
Energy: 1.5336795813720483
Energy: 1.605908338098156
Energy: 1.5336795813714432
Energy: 1.605908338098156
Energy: 1.5336795813720483
Energy: 1.605908338098761

minimum gb energy = 1.4319996481096968 eV
minimum distance =  2.25723931333345 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.4550592221315166
Energy: 1.3681725529055768
Energy: 1.4550592221315166
Energy: 1.3681725529055768
Energy: 1.4550592221315166
Energy: 1.3681725529055768
Energy: 1.5653104563538442
Energy: 1.6069080212240332
Energy: 1.5653104563538442
Energy: 1.6069080212240332
Energy: 1.5653104563538442
Energy: 1.606908021222956
Energy: 1.6160033103775702
Energy: 1.498852173768671
Energy: 1.6160033103775702
Energy: 1.4988521737675937
Energy: 1.6160033103775702
Energy: 1.498852173768671
Energy: 1.4518465327748782
Energy: 1.4515213998919887
Energy: 1.4518465327738008
Energy: 1.4515213998930658
Energy: 1.4518465327738008
Energy: 1.4515213998930658
Energy: 1.6161659707569354
Energy: 1.498815484892348
Energy: 1.6161659707579634
Energy: 1.498815484891271
Energy: 1.6161659707579634
Energy: 1.498815484891271
Energy: 1.5658198443347133
Energy: 1.5416655978460239
Energy: 1.5658198443347133
Energy: 1.4085518282352159
Energy: 1.5658198443347133
Energy: 1.4085518282352159
Energy: 1.455059222132594
Energy: 1.3681725529044995
Energy: 1.4550592221315166
Energy: 1.3681725529044995
Energy: 1.455059222132594
Energy: 1.3681725529044995
Energy: 1.5653104563538442
Energy: 1.6069080212240332
Energy: 1.5653104563538442
Energy: 1.6069080212240332
Energy: 1.5653104563538442
Energy: 1.606908021222956
Energy: 1.6160033103775702
Energy: 1.4988521737708254
Energy: 1.6160033103775702
Energy: 1.498852173769748
Energy: 1.6160033103775702
Energy: 1.498852173769748
Energy: 1.4518465327738008
Energy: 1.63064024599256
Energy: 1.4518465327748782
Energy: 1.63064024599256
Energy: 1.4518465327738008
Energy: 1.63064024599256
Energy: 1.6161659707558582
Energy: 1.498815484891271
Energy: 1.6161659707558582
Energy: 1.498815484891271
Energy: 1.6161659707558582
Energy: 1.498815484891271
Energy: 1.5658198443336364
Energy: 1.4085518282352159
Energy: 1.5658198443347133
Energy: 1.4085518282352159
Energy: 1.5658198443347133
Energy: 1.4085518282362932
Energy: 1.4550592221315166
Energy: 1.3681725529044995
Energy: 1.4550592221315166
Energy: 1.3681725529055768
Energy: 1.4550592221315166
Energy: 1.3681725529044995
Energy: 1.5653104563538442
Energy: 1.606908021222956
Energy: 1.5653104563538442
Energy: 1.606908021222956
Energy: 1.5653104563538442
Energy: 1.606908021222956
Energy: 1.6160033103775702
Energy: 1.4988521737675937
Energy: 1.6160033103775702
Energy: 1.4988521737675937
Energy: 1.6160033103775702
Energy: 1.4988521737675937
Energy: 1.4518465327738008
Energy: 1.3801270223117412
Energy: 1.4518465327738008
Energy: 1.3801270223117412
Energy: 1.4518465327738008
Energy: 1.380127022309587
Energy: 1.6161659707579634
Energy: 1.498815484892348
Energy: 1.6161659707569354
Energy: 1.498815484892348
Energy: 1.6161659707579634
Energy: 1.498815484891271

minimum gb energy = 1.3681725529044995 eV
minimum distance =  2.29877012806474 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5576694094506538
Energy: 1.640491697045256
Energy: 1.5576694094515333
Energy: 1.640491697045256
Energy: 1.5576694094506538
Energy: 1.640491697045256
Energy: 1.5187836217625383
Energy: 1.523703774806787
Energy: 1.518783621765177
Energy: 1.5237037748076665
Energy: 1.5187836217642976
Energy: 1.5237037748076665
Energy: 1.5788640413681754
Energy: 1.5089432009338186
Energy: 1.5098143842414555
Energy: 1.5089432009338186
Energy: 1.5788640413681754
Energy: 1.508943200932939
Energy: 1.4785665243392723
Energy: 1.6061277893686978
Energy: 1.4785665243392723
Energy: 1.6061277893695773
Energy: 1.4785665243392723
Energy: 1.6061277893686978
Energy: 1.5181863641451938
Energy: 1.5293588489058327
Energy: 1.5181863641451938
Energy: 1.529358848906712
Energy: 1.5181863641451938
Energy: 1.529358848906712
Energy: 1.5282163218976974
Energy: 1.5151007676394765
Energy: 1.5282163218976974
Energy: 1.5151007676394765
Energy: 1.5282163218976974
Energy: 1.5151007676394765
Energy: 1.4965398627069697
Energy: 1.5370454183488345
Energy: 1.4965398627069697
Energy: 1.5370454183497142
Energy: 1.4965398627069697
Energy: 1.5370454183497142
Energy: 1.4933144586019305
Energy: 1.5510950191656154
Energy: 1.4933144586019305
Energy: 1.5510950191656154
Energy: 1.4933144586019305
Energy: 1.5510950191647357
Energy: 1.708979901911028
Energy: 1.565901353510198
Energy: 1.708979901911028
Energy: 1.565901353510198
Energy: 1.7089799019101488
Energy: 1.5659013535093187
Energy: 1.4984640607382729
Energy: 1.5055795176815399
Energy: 1.4984640607382729
Energy: 1.5055795176815399
Energy: 1.4984640607382729
Energy: 1.5055795176815399
Energy: 1.505409332107367
Energy: 1.5186736411463106
Energy: 1.505409332107367
Energy: 1.5186736411463106
Energy: 1.5054093321082465
Energy: 1.5186736411463106
Energy: 1.5842804154060204
Energy: 1.5458301754504618
Energy: 1.5842804154060204
Energy: 1.5458301754504618
Energy: 1.5842804154051409
Energy: 1.5458301754504618
Energy: 1.478312808610828
Energy: 1.5628520298741189
Energy: 1.4783128086117074
Energy: 1.5628520298741189
Energy: 1.478312808610828
Energy: 1.5628520298732391
Energy: 1.537043540976897
Energy: 1.507923923398631
Energy: 1.5370435409777767
Energy: 1.507923923398631
Energy: 1.5370435409777767
Energy: 1.507923923398631
Energy: 1.5286327598394973
Energy: 1.5405078861708374
Energy: 1.5286327598394973
Energy: 1.5405078861708374
Energy: 1.5286327598403768
Energy: 1.5405078861708374
Energy: 1.55515789573533
Energy: 1.51736761625127
Energy: 1.5551578957362093
Energy: 1.51736761625127
Energy: 1.5551578957362093
Energy: 1.51736761625127
Energy: 1.5505343193428238
Energy: 1.5181692786190237
Energy: 1.5505343193428238
Energy: 1.5181692786190237
Energy: 1.5505343193428238
Energy: 1.5181692786190237
Energy: 1.7212545910444175
Energy: 1.529198746216156
Energy: 1.7212545910444175
Energy: 1.529198746216156
Energy: 1.7212545910452974
Energy: 1.529198746216156
Energy: 1.4960227955532635
Energy: 1.509367908196098
Energy: 1.4960227955532635
Energy: 1.509367908196098
Energy: 1.4960227955532635
Energy: 1.5093679081952187
Energy: 1.5913249851157814
Energy: 1.5553108614582682
Energy: 1.5913249851157814
Energy: 1.5553108614582682
Energy: 1.5913249851157814
Energy: 1.5553108614582682
Energy: 1.5862877051659927
Energy: 1.5434936766222391
Energy: 1.5862877051659927
Energy: 1.5434936766231186
Energy: 1.5862877051659927
Energy: 1.5434936766231186

minimum gb energy = 1.478312808610828 eV
minimum distance =  2.28592480729295 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6139482161432666
Energy: 1.8373448974362139
Energy: 1.5698036820372843
Energy: 1.8373448974362139
Energy: 1.6139482161432666
Energy: 1.8373448974362139
Energy: 1.608226989634624
Energy: 1.5411401608005564
Energy: 1.6082269896338826
Energy: 1.5411401608012978
Energy: 1.608226989634624
Energy: 1.5411401608020392
Energy: 1.486295366586364
Energy: 1.4985943308089626
Energy: 1.486295366586364
Energy: 1.4985943308089626
Energy: 1.486295366586364
Energy: 1.4985943308082212
Energy: 1.4535976723784023
Energy: 1.5975130341461754
Energy: 1.4535976723784023
Energy: 1.597513034145434
Energy: 1.4535976723776607
Energy: 1.5975130341446928
Energy: 1.4535793895466684
Energy: 1.5677909241022312
Energy: 1.453579389548151
Energy: 1.5677909241022312
Energy: 1.453579389548151
Energy: 1.5677909241022312
Energy: 1.5763075317971713
Energy: 1.585451850021728
Energy: 1.5763075317964301
Energy: 1.585451850021728
Energy: 1.5763075317971713
Energy: 1.5854518500232107
Energy: 1.4781245665182663
Energy: 1.5870852693027144
Energy: 1.478124566519749
Energy: 1.5870852693027144
Energy: 1.4781245665182663
Energy: 1.587085269303456
Energy: 1.5670187143428904
Energy: 1.4851683697844673
Energy: 1.5670187143421492
Energy: 1.485168369783726
Energy: 1.5670187143436318
Energy: 1.4851683697844673
Energy: 1.6561398443924005
Energy: 1.453426928196029
Energy: 1.656132524390357
Energy: 1.453426928196029
Energy: 1.6561398443924005
Energy: 1.4534269281967704
Energy: 1.5850359868750765
Energy: 1.5349633507660145
Energy: 1.5851092606126786
Energy: 1.5349633507660145
Energy: 1.5850359868750765
Energy: 1.534963350766756
Energy: 1.5847042803539892
Energy: 1.5664816663037406
Energy: 1.5847559881283364
Energy: 1.566481666302999
Energy: 1.5847042803539892
Energy: 1.5664816663022578
Energy: 1.5888017168045376
Energy: 1.4793365736258235
Energy: 1.5888017168045376
Energy: 1.4793365736258235
Energy: 1.5888017168045376
Energy: 1.4793365736250819
Energy: 1.520084156025143
Energy: 1.5994585380279482
Energy: 1.5200841560244018
Energy: 1.5994585380286894
Energy: 1.520084156025143
Energy: 1.5994585380286894
Energy: 1.4536411312192319
Energy: 1.5114722448104598
Energy: 1.4536411312192319
Energy: 1.5114722448104598
Energy: 1.4536411312192319
Energy: 1.5114722448089772
Energy: 1.6618760065451315
Energy: 1.5827461081583862
Energy: 1.6624810274641098
Energy: 1.5827461081583862
Energy: 1.661876006545873
Energy: 1.5827461081583862
Energy: 1.5414437406036716
Energy: 1.5683763328739997
Energy: 1.5414437406029304
Energy: 1.5683763328739997
Energy: 1.5414437406036716
Energy: 1.5683763328717755
Energy: 1.4783373060007943
Energy: 1.4865615363724962
Energy: 1.4783373060007943
Energy: 1.4865615363724962
Energy: 1.4783373060007943
Energy: 1.4865615363717548
Energy: 1.596726651821033
Energy: 1.513449325443657
Energy: 1.596726651821033
Energy: 1.513449325443657
Energy: 1.5967266518202914
Energy: 1.5134493254406913
Energy: 1.5192091838927977
Energy: 1.507411193626681
Energy: 1.5248879860484645
Energy: 1.507411193626681
Energy: 1.5192091838927977
Energy: 1.5074111936244567
Energy: 1.6139482161440077
Energy: 1.8373448974362139
Energy: 1.569803682036543
Energy: 1.8373448974362139
Energy: 1.6139482161440077
Energy: 1.8373448974362139
Energy: 1.608226989634624
Energy: 1.5411401608027806
Energy: 1.6082269896338826
Energy: 1.5411401608020392
Energy: 1.608226989634624
Energy: 1.5411401608027806
Energy: 1.4862953665871055
Energy: 1.4985943308089626
Energy: 1.486295366586364
Energy: 1.4985943308097038
Energy: 1.4862953665871055
Energy: 1.4985943308082212
Energy: 1.4535976723784023
Energy: 1.5975130341461754
Energy: 1.4535976723784023
Energy: 1.5975130341461754
Energy: 1.4535976723784023
Energy: 1.597513034145434
Energy: 1.4535793895474096
Energy: 1.5677909241029726
Energy: 1.4535793895474096
Energy: 1.5677909241029726
Energy: 1.4535793895474096
Energy: 1.5677909241014898
Energy: 1.5763075317964301
Energy: 1.5854518500224695
Energy: 1.5763075317964301
Energy: 1.5854518500224695
Energy: 1.5763075317971713
Energy: 1.5854518500232107

minimum gb energy = 1.453426928196029 eV
minimum distance =  2.25955340068429 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4702558542833204
Energy: 1.6991644710653375
Energy: 1.4702558542833204
Energy: 1.6991644710653375
Energy: 1.4702558542826802
Energy: 1.6991644710659772
Energy: 1.5219906250193398
Energy: 1.5263393829289567
Energy: 1.5219906250187287
Energy: 1.5263393829283167
Energy: 1.5219906250193398
Energy: 1.5263393829289567
Energy: 1.5583829833631229
Energy: 1.4269261660527055
Energy: 1.5583829833631229
Energy: 1.4269261660527055
Energy: 1.5583829833631229
Energy: 1.4269261660527055
Energy: 1.4182422653567024
Energy: 1.5504760068571866
Energy: 1.4182422653567024
Energy: 1.5504760068578265
Energy: 1.4182422653567024
Energy: 1.5504760068571866
Energy: 1.522188346727707
Energy: 1.5191873152217805
Energy: 1.5221883467270672
Energy: 1.5191873152211406
Energy: 1.5221883467270672
Energy: 1.5191873152211406
Energy: 1.5651876342108197
Energy: 1.4256901454243172
Energy: 1.5651876342114597
Energy: 1.4256901454243172
Energy: 1.5651876342108197
Energy: 1.425690145423677
Energy: 1.4683214123117883
Energy: 1.6390879682630746
Energy: 1.4683214123124282
Energy: 1.6390879682637147
Energy: 1.468321412311148
Energy: 1.6390879682630746
Energy: 1.4498779259755947
Energy: 1.6440422943801836
Energy: 1.4498779259749548
Energy: 1.6440422943801836
Energy: 1.4498779259755947
Energy: 1.6440422943801836
Energy: 1.5925863335578652
Energy: 1.3966718704481116
Energy: 1.5925863335572252
Energy: 1.3966718704481116
Energy: 1.5925863335578652
Energy: 1.3966718704487515
Energy: 1.5219539164555347
Energy: 1.517559842407633
Energy: 1.5219539164555347
Energy: 1.5175598424082732
Energy: 1.5219539164555347
Energy: 1.5175598424082732
Energy: 1.407627121089883
Energy: 1.6308322940417592
Energy: 1.407627121089883
Energy: 1.6308322940411195
Energy: 1.407627121089883
Energy: 1.6308322940417592
Energy: 1.5942714326114362
Energy: 1.4250571233360374
Energy: 1.5942714326114362
Energy: 1.4250571233353972
Energy: 1.5942714326114362
Energy: 1.4250571233353972
Energy: 1.5427398977044218
Energy: 1.4808303671782752
Energy: 1.542739897703782
Energy: 1.4808303671789154
Energy: 1.5427398977044218
Energy: 1.4808303671782752
Energy: 1.4240646703781552
Energy: 1.5485081897048656
Energy: 1.4240646703781552
Energy: 1.5485081897055055
Energy: 1.4240646703781552
Energy: 1.5485081897048656
Energy: 1.5628933889863001
Energy: 1.4342822499223085
Energy: 1.5628933889863001
Energy: 1.4342822499210284
Energy: 1.56289338898566
Energy: 1.4342822499216683
Energy: 1.6226550644130082
Energy: 1.3968288832737528
Energy: 1.6226550644130082
Energy: 1.3968288832737528
Energy: 1.6226550644123685
Energy: 1.396828883273113
Energy: 1.4348503418624334
Energy: 1.5454404918939708
Energy: 1.4348503418624334
Energy: 1.5454404918939708
Energy: 1.4348503418624334
Energy: 1.5454404918933309
Energy: 1.5038960976852427
Energy: 1.5419278649280388
Energy: 1.5038960976846028
Energy: 1.5419278649293189
Energy: 1.5038960976852427
Energy: 1.5419278649286787
Energy: 1.5353899467664947
Energy: 1.4246274466726334
Energy: 1.5353899467664947
Energy: 1.4246274466732733
Energy: 1.5353899467664947
Energy: 1.4246274466726334
Energy: 1.4337409742347542
Energy: 1.5205388774404272
Energy: 1.4337409742347542
Energy: 1.5205388774397872
Energy: 1.4337409742347542
Energy: 1.520538877441067
Energy: 1.4298535266176584
Energy: 1.627240350799383
Energy: 1.4298535266176584
Energy: 1.6272403507987427
Energy: 1.4298535266170185
Energy: 1.627240350799383
Energy: 1.5998165269974647
Energy: 1.4267986822550724
Energy: 1.5998165269974647
Energy: 1.4267986822550724
Energy: 1.5998165269974647
Energy: 1.4267986822550724
Energy: 1.565692590761426
Energy: 1.5240436014416427
Energy: 1.565692590761426
Energy: 1.5240436014416427
Energy: 1.565692590762066
Energy: 1.5240436014416427
Energy: 1.4586678086128932
Energy: 1.5304164225743424
Energy: 1.4586678086122533
Energy: 1.5304164225743424
Energy: 1.4586678086122533
Energy: 1.5304164225743424
Energy: 1.5004741532167545
Energy: 1.4269640563655077
Energy: 1.5004741532167545
Energy: 1.4269640563655077
Energy: 1.5004741532167545
Energy: 1.4269640563661476
Energy: 1.5503821994556917
Energy: 1.450794527596586
Energy: 1.5503821994563316
Energy: 1.450794527596586
Energy: 1.5503821994563316
Energy: 1.450794527596586
Energy: 1.4010892905205212
Energy: 1.5322678113476331
Energy: 1.4010892905205212
Energy: 1.5322678113469932
Energy: 1.4010892905205212
Energy: 1.5322678113469932
Energy: 1.5475872154005634
Energy: 1.424331673613822
Energy: 1.5475872154005634
Energy: 1.424331673613822
Energy: 1.5475872154005634
Energy: 1.424331673613822
Energy: 1.511671492342915
Energy: 1.4246633209496393
Energy: 1.5116714923422756
Energy: 1.4246633209496393
Energy: 1.5116714923422756
Energy: 1.4246633209496393

minimum gb energy = 1.3966718704481116 eV
minimum distance =  2.27863510140524 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3820956489976741
Energy: 1.56738259570811
Energy: 1.3820956489976741
Energy: 1.56738259570811
Energy: 1.3820956489976741
Energy: 1.56738259570811
Energy: 1.4965021402578333
Energy: 1.433141542224863
Energy: 1.4965021402589584
Energy: 1.433141542224863
Energy: 1.4965021402600835
Energy: 1.4331415422271132
Energy: 1.4772501658709745
Energy: 1.361688885386067
Energy: 1.4772501658704118
Energy: 1.361688885386067
Energy: 1.4772501658704118
Energy: 1.361688885386067
Energy: 1.3235002537733491
Energy: 1.7911199784741352
Energy: 1.3235002537755995
Energy: 1.750787685476496
Energy: 1.3235002537739116
Energy: 1.7507876854770585
Energy: 1.4377027964973446
Energy: 1.4219631521424225
Energy: 1.4377027964962195
Energy: 1.4219631521429852
Energy: 1.4377027964967821
Energy: 1.4219631521429852
Energy: 1.5467672305658307
Energy: 1.3420821796669704
Energy: 1.5467672305658307
Energy: 1.3420821796669704
Energy: 1.546767230566393
Energy: 1.342082179666408
Energy: 1.3578917068191183
Energy: 1.6555615738964202
Energy: 1.3578917068191183
Energy: 1.6555615738969829
Energy: 1.3578917068185556
Energy: 1.6555615738964202
Energy: 1.3423570333729944
Energy: 1.4937100479674794
Energy: 1.3423570333741195
Energy: 1.493710047968042
Energy: 1.3423570333729944
Energy: 1.493710047968042
Energy: 1.5423082284389533
Energy: 1.3433745196806037
Energy: 1.5423082284395158
Energy: 1.3433745196811662
Energy: 1.5423082284389533
Energy: 1.3433745196811662
Energy: 1.5152412142253218
Energy: 1.435656731687005
Energy: 1.5152412142247593
Energy: 1.500063736872318
Energy: 1.5152412142253218
Energy: 1.500063736872318
Energy: 1.3224508933855013
Energy: 1.654505038937405
Energy: 1.3224508933849388
Energy: 1.6545050389379674
Energy: 1.3224508933849388
Energy: 1.6545050389379674
Energy: 1.428341965266909
Energy: 1.3972421086260542
Energy: 1.428341965268034
Energy: 1.3972421086254916
Energy: 1.428341965268034
Energy: 1.3972421086260542
Energy: 1.5049777562066635
Energy: 1.362230319778167
Energy: 1.5049777562072262
Energy: 1.3622303197776047
Energy: 1.5049777562072262
Energy: 1.3622303197787298
Energy: 1.3822231379006331
Energy: 1.5253653390161097
Energy: 1.3822231379017582
Energy: 1.5764128944005606
Energy: 1.3822231379011958
Energy: 1.576412894399998
Energy: 1.4835708991598608
Energy: 1.4095601523512973
Energy: 1.483570899160986
Energy: 1.4095601523507346
Energy: 1.4835708991604233
Energy: 1.4095601523512973
Energy: 1.5583215283445384
Energy: 1.3650387748896924
Energy: 1.5583215283445384
Energy: 1.3650387748896924
Energy: 1.5583215283445384
Energy: 1.3650387748902548
Energy: 1.3225078380653876
Energy: 1.4547601199400009
Energy: 1.322507838064825
Energy: 1.4547601199360631
Energy: 1.322507838064825
Energy: 1.4547601199366256
Energy: 1.3166130889820153
Energy: 1.4772685057360537
Energy: 1.3166130889820153
Energy: 1.4772685057360537
Energy: 1.3166130889831407
Energy: 1.4772685057360537
Energy: 1.5437887390013232
Energy: 1.3426344166078363
Energy: 1.5437887390013232
Energy: 1.342634416607274
Energy: 1.5437887390013232
Energy: 1.3426344166078363
Energy: 1.431105770824846
Energy: 1.4819470897306253
Energy: 1.4311057708254085
Energy: 1.4819470897311877
Energy: 1.4311057708254085
Energy: 1.4819470897317504
Energy: 1.34233457344706
Energy: 1.639427674523954
Energy: 1.34233457344706
Energy: 1.639427674523954
Energy: 1.3423345734464975
Energy: 1.6394276745233916
Energy: 1.6584700903409548
Energy: 1.3415358840414062
Energy: 1.6584700903403924
Energy: 1.3415358840414062
Energy: 1.6584700903409548
Energy: 1.3415358840414062
Energy: 1.5451619840364248
Energy: 1.3423805689061168
Energy: 1.5451619840358624
Energy: 1.3423805689061168
Energy: 1.5451619840369872
Energy: 1.3423805689061168
Energy: 1.323690102421203
Energy: 1.547419837440814
Energy: 1.323690102421203
Energy: 1.547419837440814
Energy: 1.3236901024206407
Energy: 1.547419837440814
Energy: 1.4297803229497918
Energy: 1.393473760437598
Energy: 1.4297803229497918
Energy: 1.3934737604381604
Energy: 1.4297803229497918
Energy: 1.393473760437598
Energy: 1.5056798493481103
Energy: 1.3616301290217259
Energy: 1.5056798493481103
Energy: 1.3616301290217259
Energy: 1.5056798493481103
Energy: 1.3616301290222885
Energy: 1.3822057016749507
Energy: 1.500794683081347
Energy: 1.382205701673263
Energy: 1.500794683081347
Energy: 1.3822057016749507
Energy: 1.500794683081347
Energy: 1.3827312601813233
Energy: 1.518497664984703
Energy: 1.3827312601824484
Energy: 1.518497664984703
Energy: 1.382731260183011
Energy: 1.518497664984703
Energy: 1.5474494180620078
Energy: 1.361590967309598
Energy: 1.5474494180620078
Energy: 1.361590967309598
Energy: 1.5474494180620078
Energy: 1.361590967309598
Energy: 1.3164919838088904
Energy: 1.4968960792918167
Energy: 1.3164919838083278
Energy: 1.4968960792923791
Energy: 1.3164919838077653
Energy: 1.4968960792923791
Energy: 1.3223833975614903
Energy: 1.4708177384839896
Energy: 1.3223833975603654
Energy: 1.4708177384845522
Energy: 1.322383397562053
Energy: 1.4708177384839896
Energy: 1.526726112655124
Energy: 1.3413162996026695
Energy: 1.5267261126545613
Energy: 1.3413162996026695
Energy: 1.526726112655124
Energy: 1.341316299602107
Energy: 1.65939384926973
Energy: 1.3424103589637237
Energy: 1.65939384926973
Energy: 1.342410358963161
Energy: 1.6593938492691676
Energy: 1.342410358963161

minimum gb energy = 1.3164919838077653 eV
minimum distance =  2.29769315170395 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.02052232862607674
Energy: 1.2229120111938188
Energy: 0.02052232862607674
Energy: 1.2229120111938188
Energy: 0.02052232862607674
Energy: 1.2229120111933514
Energy: 0.02143620400494078
Energy: 0.4553861110197432
Energy: 0.02143620400494078
Energy: 0.4553861110197432
Energy: 0.021436204004525315
Energy: 0.4553861110197432
Energy: 1.2239729732028037
Energy: 0.45468698689264825
Energy: 1.2236512797539751
Energy: 0.45468698616267067
Energy: 1.2239730223799583
Energy: 0.45468698699542476
Energy: 0.021436204005408185
Energy: 0.4553861110183929
Energy: 0.021436204005408185
Energy: 0.45538611101886034
Energy: 0.021436204005408185
Energy: 0.4553861110183929

minimum gb energy = 0.02052232862607674 eV
minimum distance =  2.48492824440545 Angstroms
sigma value = 1