Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999862909317
cohesive_energy=3.3503944978124447
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7689632215994e-19, 2.41521718868964e-19, 2.89003825594188e-19, 3.2679276368371202e-19, 3.58028799340176e-19, 3.84429465915228e-19, 4.07063415223746e-19, 4.26646820221128e-19, 4.436923774302539e-19, 4.585798027133819e-19, 4.7159909004126595e-19, 4.8298095284920195e-19, 4.929112436267339e-19, 5.01540566977458e-19, 5.08993892678826e-19, 5.1538016874195e-19, 5.20789117058334e-19, 5.252992442830439e-19, 5.28977841834708e-19, 5.3188419024878395e-19, 5.3406955917756e-19, 5.3558361609669e-19, 5.364648132453899e-19, 5.36750000686242e-19, 5.36443984949148e-19, 5.354570441426039e-19, 5.33673821548962e-19, 5.309549278010639e-19, 5.271385430588759e-19, 5.2202920177305e-19, 5.15391383978388e-19, 5.0694470876393995e-19, 4.963447081533959e-19, 4.8317641839855e-19, 4.669223364466199e-19, 4.469496025271759e-19, 4.2246193485311996e-19, 3.9246117738146997e-19, 3.5567359968819596e-19, 3.1046498160661796e-19, 2.54699621683614e-19, 1.8556569992651397e-19, 9.928896883860419e-20, -9.281697632556119e-21, -1.47320942584617e-19, -3.2504959550592e-19, -5.574469184442539e-19, -8.67152468326356e-19, -1.2897489860167318e-18, -1.8838392862571997e-18, -2.75180245596036e-18, -4.08646365738138e-18, -6.29147527169022e-18]
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: -0.00986900153303542 eV

========================================
theta = 0.0
========================================

Energy: 0.010294460595827103
Energy: 0.010863693598375449
Energy: 0.3101273673489281
Energy: 0.049811721237056364
Energy: 0.010863693598375449
Energy: 0.28769638831164324
Energy: 0.049811721237056364
Energy: 0.28769638831067157
Energy: 0.3101273673489281
Energy: 0.049811721237056364
Energy: 0.010294460595827103
Energy: 0.010863693598375449
Energy: 0.049811721237056364
Energy: 0.28769638831164324
Energy: 0.010863693598375449
Energy: 0.28769638831164324

minimum gb energy = 0.010294460595827103 eV
minimum distance =  2.84563201213476 Angstroms
sigma value = 1


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

Energy: 0.6104590078921431
Energy: 0.4410621571703544
Energy: 0.4745063447900372
Energy: 0.47322228927532184
Energy: 0.448866416620519
Energy: 0.4719648532337218
Energy: 0.44476007095312126
Energy: 0.47196485323493387
Energy: 0.47393412553497594
Energy: 0.4733596223407503
Energy: 0.44436374573891846
Energy: 0.4733596223407503
Energy: 0.4456085337005689
Energy: 0.4446287969281246
Energy: 0.44490311974557306
Energy: 0.44462879692633395
Energy: 0.5702520088903246
Energy: 0.448001573489879
Energy: 0.4495399089783323
Energy: 0.4480015734904851
Energy: 0.47263716640979575
Energy: 0.44423485556494097
Energy: 0.44478266506710457
Energy: 0.44423485556494097
Energy: 0.4685186220815289
Energy: 0.46729946116131055
Energy: 0.4494229081865698
Energy: 0.4672994611600985
Energy: 0.45307230017787864
Energy: 0.45013145973744206
Energy: 0.48803596592835424
Energy: 0.45013145973683605
Energy: 0.50227862288802
Energy: 0.4727946005913095
Energy: 0.46957566712925025
Energy: 0.4727946005919156
Energy: 0.48316862893150464
Energy: 0.46853495954917806
Energy: 0.4494833488092753
Energy: 0.468534959547966
Energy: 0.44712477682435237
Energy: 0.4722934795853443
Energy: 0.5021937255760444
Energy: 0.4722934795859503
Energy: 0.45155095284790764
Energy: 0.48093490871022493
Energy: 0.48867288152081123
Energy: 0.48093490871022493
Energy: 0.4667438238671387
Energy: 0.4670465217402004
Energy: 0.44905361052615106
Energy: 0.4670465217414125
Energy: 0.47216232225109955
Energy: 0.46538853732914653
Energy: 0.4660042904545909
Energy: 0.46538853732914653
Energy: 0.4485293567845874
Energy: 0.4478213242798769
Energy: 0.4489484064920153
Energy: 0.44782132428108906
Energy: 0.46407866472565257
Energy: 0.4444335091163766
Energy: 0.44566210923372956
Energy: 0.44443350911516444
Energy: 0.4735646333899706
Energy: 0.473145987796568
Energy: 0.43706014388999215
Energy: 0.473145987795962
Energy: 0.44511378964214177
Energy: 0.4499655696323106
Energy: 0.44906646761334784
Energy: 0.4499655696335227
Energy: 0.44380817834319997
Energy: 0.4735288132042088
Energy: 0.4755607585088475
Energy: 0.4735288132036028
Energy: 0.5005827417406692
Energy: 0.4732135196832744
Energy: 0.4736078386204018
Energy: 0.4732135196844865
Energy: 0.45213653864227465
Energy: 0.44791858452586697
Energy: 0.4490273476987979
Energy: 0.44791858452586697
Energy: 0.4467359630128728
Energy: 0.44513594240878596
Energy: 0.47289853218521827
Energy: 0.44513594240817994
Energy: 0.4490746459399994
Energy: 0.46732219211730053
Energy: 0.46997168867647865
Energy: 0.4673221921179066
Energy: 0.48827629784226684
Energy: 0.46511841498960105
Energy: 0.4512257797129767
Energy: 0.465118414988995
Energy: 0.4480883675848958
Energy: 0.4733093860335311
Energy: 0.5026440573688844
Energy: 0.4733093860341372
Energy: 0.4505477122738091
Energy: 0.47405394868584144
Energy: 0.4843084356177853
Energy: 0.47405394868584144
Energy: 0.5028400376799506
Energy: 0.4729661517161155
Energy: 0.4474538744203816
Energy: 0.4729661517161155
Energy: 0.4874553647626479
Energy: 0.47190656162612515
Energy: 0.44995645753857416
Energy: 0.4719065616255191
Energy: 0.44882711253715657
Energy: 0.46811092787642533
Energy: 0.46650358629430944
Energy: 0.46811092787763736
Energy: 0.46593221951978514
Energy: 0.4680190771631512
Energy: 0.47259258874397864
Energy: 0.4680190771643633
Energy: 0.44824157707672607
Energy: 0.44761862651502626
Energy: 0.44853668242954897
Energy: 0.44761862651502626
Energy: 0.4458539827755646
Energy: 0.4443841303846349
Energy: 0.46410891533296306
Energy: 0.444384130385241
Energy: 0.43745882613431164
Energy: 0.47325018345101627
Energy: 0.4738624849786901
Energy: 0.4732501834522283

minimum gb energy = 0.43706014388999215 eV
minimum distance =  2.58262675663263 Angstroms
sigma value = 1


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

Energy: 0.6981676452338195
Energy: 0.4533242839798938
Energy: 0.48897934556603223
Energy: 0.48939115287539503
Energy: 0.4639393149326432
Energy: 0.48521414928454937
Energy: 0.458854875351207
Energy: 0.4852141492734933
Energy: 0.49773834992419363
Energy: 0.4896508280276708
Energy: 0.4565120860822312
Energy: 0.4896508280318168
Energy: 0.456306082182826
Energy: 0.48528364853716316
Energy: 0.458713811315063
Energy: 0.4852836485330171
Energy: 0.4566881323417146
Energy: 0.4614111858509077
Energy: 0.4621717484539142
Energy: 0.4614111858481437
Energy: 0.48790362374942176
Energy: 0.45689502072157484
Energy: 0.45766924622074634
Energy: 0.45689502072226584
Energy: 0.4887383029375299
Energy: 0.4867296925500923
Energy: 0.4630264703004254
Energy: 0.4867296925473283
Energy: 0.462956579277991
Energy: 0.46561105723526136
Energy: 0.507095079142124
Energy: 0.4656110572380253
Energy: 0.4636051586191909
Energy: 0.4933877479707273
Energy: 0.5044462039833058
Energy: 0.4933877479727689
Energy: 0.507930628502962
Energy: 0.492871117187065
Energy: 0.464072642907835
Energy: 0.49287111718913795
Energy: 0.46305094707025385
Energy: 0.4867393093392268
Energy: 0.4895480603385875
Energy: 0.48673930934060883
Energy: 0.4836854457343374
Energy: 0.4858879438696865
Energy: 0.48884844033640146
Energy: 0.4858879438683045
Energy: 0.4610218255767978
Energy: 0.4609471737811557
Energy: 0.4626495618444436
Energy: 0.4609471737784231
Energy: 0.4582874340716733
Energy: 0.4582718160853606
Energy: 0.47905831823936623
Energy: 0.4582718160881246
Energy: 0.44773499044921816
Energy: 0.4893501785810318
Energy: 0.49018558208226704
Energy: 0.4893501785782678
Energy: 0.46331334252880507
Energy: 0.46317243301390804
Energy: 0.458496501583798
Energy: 0.463172433014599
Energy: 0.4897929243357564
Energy: 0.48951622521778326
Energy: 0.45611698219321695
Energy: 0.48951622521571025
Energy: 0.4896834848060972
Energy: 0.4864537929391776
Energy: 0.5198244235304191
Energy: 0.4864537929357226
Energy: 0.45635860477135654
Energy: 0.4609083873259617
Energy: 0.46417164620646595
Energy: 0.4609083873273437
Energy: 0.4877064526320158
Energy: 0.45782057802809834
Energy: 0.45865283185325656
Energy: 0.45782057803017134
Energy: 0.4722271359179071
Energy: 0.48684879444302726
Energy: 0.46279041101192736
Energy: 0.48684879444510026
Energy: 0.46263478149394377
Energy: 0.48412630196624906
Energy: 0.5086538355386679
Energy: 0.48412630196967266
Energy: 0.5427700085175212
Energy: 0.49332124233166424
Energy: 0.5029333708873882
Energy: 0.49332124233581026
Energy: 0.5077565505935729
Energy: 0.4930472088708051
Energy: 0.464085637006802
Energy: 0.4930472088714961
Energy: 0.46303389233757775
Energy: 0.48661199043960685
Energy: 0.48940778409048913
Energy: 0.48661199043546094
Energy: 0.4837683835881871
Energy: 0.4871136605893123
Energy: 0.4891756289601119
Energy: 0.4871136605865483
Energy: 0.4615026102641596
Energy: 0.46059789409394464
Energy: 0.46270284612515006
Energy: 0.4605978940897987
Energy: 0.4585529347545984
Energy: 0.46087661004121905
Energy: 0.4790661775164847
Energy: 0.46087661004329206
Energy: 0.44778009348949044
Energy: 0.4893021490060784
Energy: 0.49020599285344885
Energy: 0.48930214900469643

minimum gb energy = 0.44773499044921816 eV
minimum distance =  2.57323709468696 Angstroms
sigma value = 25


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

Energy: 0.7072424394572843
Energy: 0.4872730337212559
Energy: 0.5140185381779282
Energy: 0.5123456138611792
Energy: 0.513732784217324
Energy: 0.5052895637277173
Energy: 0.4982751222679289
Energy: 0.5052895637277173
Energy: 0.5162527685388484
Energy: 0.5132307105610372
Energy: 0.6368059795853429
Energy: 0.5132307105594306
Energy: 0.5129173796940675
Energy: 0.5053459116977955
Energy: 0.48253969552974735
Energy: 0.5053459116969923
Energy: 0.4671935579720717
Energy: 0.484310451158959
Energy: 0.48183926431738733
Energy: 0.4843104511565492
Energy: 0.5165871105326123
Energy: 0.4795126401950799
Energy: 0.4796391285922433
Energy: 0.4795126401934734
Energy: 0.4979596284295798
Energy: 0.5233183476984308
Energy: 0.5349713599344786
Energy: 0.5233183476992341
Energy: 0.4834550945538208
Energy: 0.518910646898666
Energy: 0.5440692550105175
Energy: 0.5189106469010758
Energy: 0.5255364205745777
Energy: 0.5166456289315489
Energy: 0.4777933071145623
Energy: 0.5166456289307455
Energy: 0.5302215483791441
Energy: 0.5193341244343866
Energy: 0.5040387621477873
Energy: 0.5193341244343866
Energy: 0.48429624490100903
Energy: 0.5072924852839267
Energy: 0.5064997088689768
Energy: 0.5072924852863365
Energy: 0.4677383599970826
Energy: 0.5244537628755194
Energy: 0.4969652926979518
Energy: 0.5244537628739128
Energy: 0.470617446540158
Energy: 0.4711104812860388
Energy: 0.456485108889076
Energy: 0.4711104812852355
Energy: 0.47106531602910917
Energy: 0.4577770018010227
Energy: 0.5312710713902395
Energy: 0.45777700180182596
Energy: 0.46655225671455974
Energy: 0.5341798967142632
Energy: 0.5358799602139361
Energy: 0.5341798967142632
Energy: 0.5287610439012492
Energy: 0.47596663191802474
Energy: 0.5342280886223064
Energy: 0.47596663191802474
Energy: 0.4801400428194962
Energy: 0.47994746932619287
Energy: 0.46684133468862266
Energy: 0.4799474693269961
Energy: 0.473987708673139
Energy: 0.47972147804696097
Energy: 0.4996098187981764
Energy: 0.47972147804696097
Energy: 0.5350264290583516
Energy: 0.5189226962012966
Energy: 0.5036978036066532
Energy: 0.5189226962021
Energy: 0.5434283416419975
Energy: 0.5173432975142628
Energy: 0.49111533811884683
Energy: 0.517343297515066
Energy: 0.47711568551159084
Energy: 0.5215510141743875
Energy: 0.5281541434113018
Energy: 0.5215510141735844
Energy: 0.4776439953950045
Energy: 0.5236257705582114
Energy: 0.5215138914198081
Energy: 0.523625770556605
Energy: 0.4853761468717069
Energy: 0.4833600757802682
Energy: 0.4842522067623243
Energy: 0.4833600757834813
Energy: 0.48142639072846183
Energy: 0.4872916930517637
Energy: 0.4842736040879869
Energy: 0.4872916930517637
Energy: 0.48370255494810127
Energy: 0.5124370508029549
Energy: 0.5131687236363022
Energy: 0.5124370508037399

minimum gb energy = 0.456485108889076 eV
minimum distance =  2.54878418817683 Angstroms
sigma value = 9


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

Energy: 0.6224906220883233
Energy: 0.47556760480044286
Energy: 0.52967922941758
Energy: 0.5288199361650059
Energy: 0.5358097884194865
Energy: 0.5085289843377645
Energy: 0.4982795935257502
Energy: 0.5085289843377645
Energy: 0.5290532472122079
Energy: 0.5283153912331674
Energy: 0.5197841062808983
Energy: 0.5283153912312508
Energy: 0.5215139946362584
Energy: 0.5087482016188787
Energy: 0.4880131633761647
Energy: 0.5087482016188787
Energy: 0.5029765404301249
Energy: 0.5015504497381031
Energy: 0.5031590068402712
Energy: 0.5015504497400196
Energy: 0.5319188705905263
Energy: 0.4947348298872079
Energy: 0.48470621737367825
Energy: 0.4947348298891244
Energy: 0.5201271998606447
Energy: 0.5415247932101634
Energy: 0.5046603170351353
Energy: 0.5415247932111217
Energy: 0.48432345080520817
Energy: 0.5391537488647731
Energy: 0.533236134482019
Energy: 0.5391537488628566
Energy: 0.5014352674121156
Energy: 0.4936503608105937
Energy: 0.4644192455542259
Energy: 0.4936503608105937
Energy: 0.4949043824056443
Energy: 0.5098159040497174
Energy: 0.4644301336514278
Energy: 0.5098159040506758
Energy: 0.4625991355692539
Energy: 0.5288524199014863
Energy: 0.527764343841197
Energy: 0.5288524199014863
Energy: 0.545892864082025
Energy: 0.49954998655499283
Energy: 0.5194156644111919
Energy: 0.4995499865569093
Energy: 0.5282625149857193
Energy: 0.5205332871975009
Energy: 0.5190826359592308
Energy: 0.5205332871946262
Energy: 0.5226607425538284
Energy: 0.5081311709218985
Energy: 0.5704958353378767
Energy: 0.5081311709266898
Energy: 0.5028655236969991
Energy: 0.5018363901887343
Energy: 0.5015636962535354
Energy: 0.5018363901906507
Energy: 0.5488569485188006
Energy: 0.5013818094154271
Energy: 0.49381706202442266
Energy: 0.5013818094154271
Energy: 0.5190676426420615
Energy: 0.5421072440269727
Energy: 0.5045832223905723
Energy: 0.5421072440250562
Energy: 0.5107733873614351
Energy: 0.5441080615657591
Energy: 0.5493167585027501
Energy: 0.5441080615657591
Energy: 0.5008933718253152
Energy: 0.49384028210996844
Energy: 0.46403103628913256
Energy: 0.4938402821080519
Energy: 0.4852912834935977
Energy: 0.4999062214310987
Energy: 0.4645089887912301
Energy: 0.49990622143014046
Energy: 0.46263147909503016
Energy: 0.5282925615327321
Energy: 0.5227000412157884
Energy: 0.5282925615346487

minimum gb energy = 0.4625991355692539 eV
minimum distance =  2.56349968098308 Angstroms
sigma value = 25


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

Energy: 0.5731310096972728
Energy: 0.49325972195449885
Energy: 0.5474821697627902
Energy: 0.546235030666991
Energy: 0.545183559813812
Energy: 0.5222791331525931
Energy: 0.5473593615048802
Energy: 0.522279133153778
Energy: 0.5468017956838814
Energy: 0.5460637616504928
Energy: 0.5414626723114135
Energy: 0.5460637616516776
Energy: 0.5454189142264091
Energy: 0.5176371983939613
Energy: 0.4960424887808509
Energy: 0.5176371983951462
Energy: 0.5284398203587454
Energy: 0.5318915591682964
Energy: 0.5290663030862105
Energy: 0.5318915591671113
Energy: 0.48632952280684083
Energy: 0.5339563015246022
Energy: 0.4918861875669352
Energy: 0.5339563015269724
Energy: 0.5680777117375793
Energy: 0.5302137633631003
Energy: 0.5285564457132559
Energy: 0.5302137633654703
Energy: 0.47972528188179014
Energy: 0.5191244239286485
Energy: 0.4958091007015765
Energy: 0.5191244239274635
Energy: 0.5465938627823876
Energy: 0.5457213972521203
Energy: 0.6029191218315791
Energy: 0.5457213972521203
Energy: 0.5468358064230976
Energy: 0.5480361693355057
Energy: 0.6003650817380731
Energy: 0.5480361693343208
Energy: 0.5409495332136345
Energy: 0.546346931478557
Energy: 0.5508726084607279
Energy: 0.546346931477372
Energy: 0.5414392065872804
Energy: 0.5199985332826539
Energy: 0.5462634538001119
Energy: 0.519998533283839
Energy: 0.4963286289664765
Energy: 0.5309227724286905
Energy: 0.5285048877041412
Energy: 0.5309227724286905
Energy: 0.5254908908246215
Energy: 0.5321226224836898
Energy: 0.4889335466106931
Energy: 0.5321226224836898
Energy: 0.5295596491975532
Energy: 0.5289957183466726
Energy: 0.4795285380941625
Energy: 0.5289957183466726
Energy: 0.49645463435945797
Energy: 0.5291970824491108
Energy: 0.5666414378062361
Energy: 0.5291970824491108
Energy: 0.600291508099499
Energy: 0.5460172074045917
Energy: 0.547355892824138
Energy: 0.5460172074034066

minimum gb energy = 0.4795285380941625 eV
minimum distance =  2.5722195021304 Angstroms
sigma value = 17


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

Energy: 0.7428641592785079
Energy: 0.5620893831641208
Energy: 0.6021886986238828
Energy: 0.6023594885276776
Energy: 0.5701027071199535
Energy: 0.5647461545370641
Energy: 0.6032029183656079
Energy: 0.5647461545384064
Energy: 0.5295811084588276
Energy: 0.5327436144118597
Energy: 0.6028122563922325
Energy: 0.5327436144111887
Energy: 0.530730781199769
Energy: 0.5646730634709822
Energy: 0.6110870337503715
Energy: 0.5646730634709822
Energy: 0.5898907356069633
Energy: 0.5756386953157475
Energy: 0.5548140779344373
Energy: 0.5756386953150764
Energy: 0.5726209459488015
Energy: 0.5872250827385711
Energy: 0.5305036694812391
Energy: 0.5872250827392422
Energy: 0.556949410876342
Energy: 0.5329776637833475
Energy: 0.5290471662196304
Energy: 0.5329776637833475
Energy: 0.6414242696678246
Energy: 0.53189803922351
Energy: 0.5293353777862012
Energy: 0.5318980392228387
Energy: 0.605867353714922
Energy: 0.6024294942492628
Energy: 0.6000104714778599
Energy: 0.6024294942485918
Energy: 0.6057726332882771
Energy: 0.601837977254063
Energy: 0.6008415680733953
Energy: 0.6018379772547341
Energy: 0.5632811633222844
Energy: 0.5303758481452927
Energy: 0.5271271032094172
Energy: 0.5303758481446216
Energy: 0.6115219156892252
Energy: 0.5303296524998615
Energy: 0.5277112494302693
Energy: 0.5303296524998615
Energy: 0.5584066704713784
Energy: 0.5267138516139799
Energy: 0.5307649347657214
Energy: 0.5267138516139799
Energy: 0.5581137941493162
Energy: 0.5375571279750548
Energy: 0.5078667726102747
Energy: 0.5375571279737125
Energy: 0.6093511580738368
Energy: 0.6019193411318349
Energy: 0.6401859743241712
Energy: 0.6019193411318349
Energy: 0.6053530743800594
Energy: 0.6011219643985386
Energy: 0.6400434524299079
Energy: 0.6011219643985386
Energy: 0.6014007994890788
Energy: 0.5298358910959893
Energy: 0.5293099045848086
Energy: 0.5298358910959893
Energy: 0.5998673884099892
Energy: 0.5299318214737092
Energy: 0.5327702105454436
Energy: 0.5299318214743803
Energy: 0.5311304073808554
Energy: 0.5856641021403483
Energy: 0.5638802916616528
Energy: 0.585664102139677
Energy: 0.55230599979242
Energy: 0.5762494700339265
Energy: 0.5629857204435506
Energy: 0.5762494700332554
Energy: 0.532229855738549
Energy: 0.5340346245264033
Energy: 0.6538932325428972
Energy: 0.5340346245264033
Energy: 0.5293415049610388
Energy: 0.5331127693872808
Energy: 0.5573737948010039
Energy: 0.5331127693866097
Energy: 0.6014186193764263
Energy: 0.5571236194334528
Energy: 0.6025667655186293
Energy: 0.5571236194321104
Energy: 0.6002491245087265
Energy: 0.6030073294548486
Energy: 0.6013049202511451
Energy: 0.6030073294548486
Energy: 0.5084380186215474
Energy: 0.5643625253677043
Energy: 0.6005917741779155
Energy: 0.564362525366362
Energy: 0.5273111068361974
Energy: 0.5310600613965898
Energy: 0.5629389289906307
Energy: 0.5310600613965898
Energy: 0.5076033426249995
Energy: 0.5269745105979626
Energy: 0.6473703575583449
Energy: 0.5269745105979626
Energy: 0.5336896288861095
Energy: 0.5309125493652108
Energy: 0.6224222922843022
Energy: 0.5309125493645396
Energy: 0.5276157270582386
Energy: 0.5643848099399654
Energy: 0.5579679251582172
Energy: 0.5643848099392942
Energy: 0.6418102599952726
Energy: 0.6017797744039202
Energy: 0.6017134102655802
Energy: 0.6017797744039202

minimum gb energy = 0.5076033426249995 eV
minimum distance =  2.54708253829235 Angstroms
sigma value = 53


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

Energy: 0.7952055613877633
Energy: 0.5364202869562029
Energy: 0.6085756671844883
Energy: 0.6063507324842076
Energy: 0.613871296451694
Energy: 0.5550613857751385
Energy: 0.6092588259230128
Energy: 0.5550613857735934
Energy: 0.6098053633471753
Energy: 0.6022662361078841
Energy: 0.6143683457893915
Energy: 0.6022662361078841
Energy: 0.6015243397460205
Energy: 0.5541134953860836
Energy: 0.6292770364210898
Energy: 0.5541134953860836
Energy: 0.6560825036830326
Energy: 0.6036828476340275
Energy: 0.5362408843849379
Energy: 0.6036828476340275
Energy: 0.6662275464082104
Energy: 0.4908581475095734
Energy: 0.5348944256424566
Energy: 0.49085814750648316
Energy: 0.6315630006610014
Energy: 0.4793976732387194
Energy: 0.520336413969318
Energy: 0.4793976732387194
Energy: 0.6331771544947788
Energy: 0.47897146815330505
Energy: 0.5216102974726079
Energy: 0.4789714681517599
Energy: 0.6435614655899816
Energy: 0.6623254052667629
Energy: 0.6140291801974535
Energy: 0.6623254052636727
Energy: 0.6038365145240423
Energy: 0.5926396430409625
Energy: 0.5213829436872133
Energy: 0.5926396430409625
Energy: 0.6035262614139858
Energy: 0.5587785370538852
Energy: 0.5349474723022102
Energy: 0.5587785370523402
Energy: 0.6056306501484863
Energy: 0.6054644731420081
Energy: 0.5343738587472086
Energy: 0.6054644731420081
Energy: 0.6221676200457631
Energy: 0.6011428734638806
Energy: 0.6005363575107121
Energy: 0.6011428734638806

minimum gb energy = 0.4789714681517599 eV
minimum distance =  2.53225627147686 Angstroms
sigma value = 9


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

Energy: 0.6650039495063508
Energy: 0.6103515530904572
Energy: 0.6557010399501492
Energy: 0.6535745302185035
Energy: 0.6182320272955916
Energy: 0.5357364843577269
Energy: 0.6524315641863875
Energy: 0.5357364843588707
Energy: 0.5358697834347278
Energy: 0.535787948647028
Energy: 0.6168775837521263
Energy: 0.5357879486475998
Energy: 0.5376219237978842
Energy: 0.5361137099925423
Energy: 0.6752165344316438
Energy: 0.5361137099936861
Energy: 0.5374370815567301
Energy: 0.5352827448419407
Energy: 0.6479244339473083
Energy: 0.5352827448425125
Energy: 0.5825646801994283
Energy: 0.5357148112855586
Energy: 0.648372976838105
Energy: 0.5357148112855586
Energy: 0.648036193274998
Energy: 0.6358544323104557
Energy: 0.6505326798605059
Energy: 0.6358544323098839
Energy: 0.6472563366765725
Energy: 0.6261142107927522
Energy: 0.6356548535586007
Energy: 0.6261142107927522
Energy: 0.5492588222189438
Energy: 0.5761689267248916
Energy: 0.549370877459095
Energy: 0.5761689267260355
Energy: 0.5182633021353538
Energy: 0.5507235469775789
Energy: 0.621452596946001
Energy: 0.5507235469764351
Energy: 0.5756847539201846
Energy: 0.5753847573504084
Energy: 0.5981983944508051
Energy: 0.5753847573509802
Energy: 0.576283549627965
Energy: 0.6095915324377255
Energy: 0.6504836252978091
Energy: 0.6095915324394411
Energy: 0.6669908723464217
Energy: 0.575211261014496
Energy: 0.615062656002186
Energy: 0.5752112610156398
Energy: 0.6467689433363197
Energy: 0.57535463026233
Energy: 0.5795307912227632
Energy: 0.5753546302629018
Energy: 0.6358723882671464
Energy: 0.5670229634441267
Energy: 0.5530292581787388
Energy: 0.5670229634441267
Energy: 0.5786481387980933
Energy: 0.5824686500727662
Energy: 0.5521140728418499
Energy: 0.5824686500733381
Energy: 0.6378562577620535
Energy: 0.5344893833824901
Energy: 0.5930659591569072
Energy: 0.5344893833813464
Energy: 0.6357488194206332
Energy: 0.6357865018923547
Energy: 0.6521851027611398
Energy: 0.6357865018934985
Energy: 0.6481400805903343
Energy: 0.5357822996325594
Energy: 0.6203078592240338
Energy: 0.5357822996336772
Energy: 0.6211085313983653
Energy: 0.5359496213738705
Energy: 0.5358867710153573
Energy: 0.5359496213738705
Energy: 0.6756187973013461
Energy: 0.5360078505381853
Energy: 0.5368647045696844
Energy: 0.5360078505381853
Energy: 0.6480192054591188
Energy: 0.53516185058848
Energy: 0.5361073285366514
Energy: 0.53516185058848
Energy: 0.6480645058620359
Energy: 0.5357460389295546
Energy: 0.5840338241137674
Energy: 0.5357460389306984
Energy: 0.6525949792471207
Energy: 0.635527999914138
Energy: 0.6638344042488553
Energy: 0.6355279999135662
Energy: 0.6363823652758936
Energy: 0.6353527841584375
Energy: 0.6465383839154553
Energy: 0.6353527841572937
Energy: 0.550265625921344
Energy: 0.5769317508068188
Energy: 0.5669654603367722
Energy: 0.576931750805675
Energy: 0.6201456384096908
Energy: 0.5504960861095445
Energy: 0.5178071855827333
Energy: 0.5504960861095445
Energy: 0.5986988219368798
Energy: 0.5859937616901926
Energy: 0.575590038627534
Energy: 0.5859937616907644
Energy: 0.6510678831499758
Energy: 0.5757222629648402
Energy: 0.5760657393707486
Energy: 0.5757222629648402
Energy: 0.6151075571114253
Energy: 0.5763351623992339
Energy: 0.6616989899524071
Energy: 0.5763351624009494
Energy: 0.575606356131423
Energy: 0.5754781742266515
Energy: 0.6149963409559003
Energy: 0.5754781742260795
Energy: 0.5687335446972228
Energy: 0.5767391671666665
Energy: 0.6288447293679361
Energy: 0.5767391671666665
Energy: 0.5528223929914099
Energy: 0.5818821434874386
Energy: 0.5789741981313589
Energy: 0.5818821434874386
Energy: 0.5841402286531402
Energy: 0.534195755185304
Energy: 0.5925651310301243
Energy: 0.534195755185304
Energy: 0.6508885673004101
Energy: 0.6369109566472558
Energy: 0.635638062279108
Energy: 0.6369109566461121

minimum gb energy = 0.5178071855827333 eV
minimum distance =  2.52464090529199 Angstroms
sigma value = 73


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

Energy: 0.6258609617763256
Energy: 0.5818520016611721
Energy: 0.6158898875443503
Energy: 0.6155819356719462
Energy: 0.5645648211823361
Energy: 0.5381014211079891
Energy: 0.6354876844351258
Energy: 0.5381014211079891
Energy: 0.5372700674197334
Energy: 0.5377149277270649
Energy: 0.564537723089691
Energy: 0.5377149277279721
Energy: 0.5380740983337099
Energy: 0.5389711686505798
Energy: 0.656380211156029
Energy: 0.5389711686505798
Energy: 0.5383083662172441
Energy: 0.5377628514842502
Energy: 0.6201988442550725
Energy: 0.5377628514842502
Energy: 0.5757168924735815
Energy: 0.5377742281714647
Energy: 0.6213872132708119
Energy: 0.5377742281714647
Energy: 0.6298611052598656
Energy: 0.6156576948411338
Energy: 0.6360642169712684
Energy: 0.6156576948411338
Energy: 0.6300051469062852
Energy: 0.5981184637740059
Energy: 0.6153361914870723
Energy: 0.5981184637730985
Energy: 0.5948845414060445
Energy: 0.5479939171620832
Energy: 0.5655891553317489
Energy: 0.547993917161176
Energy: 0.508929420823161
Energy: 0.54772914383379
Energy: 0.5909946347888537
Energy: 0.5477291438346973
Energy: 0.6155627947461609
Energy: 0.5977888775117187
Energy: 0.5647387210668907
Energy: 0.5977888775108321
Energy: 0.635229267418439
Energy: 0.6359913711887408
Energy: 0.6194857147109598
Energy: 0.6359913711896481
Energy: 0.5862813415997563
Energy: 0.538076109766132
Energy: 0.5753798655370721
Energy: 0.5380761097670392
Energy: 0.5653279826366864
Energy: 0.5381360705884702
Energy: 0.5375961091857766
Energy: 0.5381360705884702
Energy: 0.6692321841706986
Energy: 0.5388302391982555
Energy: 0.5334834322266305
Energy: 0.5388302391991627
Energy: 0.620203076310751
Energy: 0.537902360682649
Energy: 0.5380673199129179
Energy: 0.5379023606817416
Energy: 0.6216148468569258
Energy: 0.5370357257359354
Energy: 0.5754521556608978
Energy: 0.5370357257359354
Energy: 0.6342655528281906
Energy: 0.6343398674342118
Energy: 0.6301925108157245
Energy: 0.6343398674351192
Energy: 0.6155299761743096
Energy: 0.5892307601485194
Energy: 0.630091927147575
Energy: 0.5892307601485194
Energy: 0.5666283240862047
Energy: 0.5503682860011414
Energy: 0.5959091787633679
Energy: 0.5503682860020489
Energy: 0.5994257098123954
Energy: 0.5476227375097829
Energy: 0.5085936951526523
Energy: 0.5476227375088756
Energy: 0.6194692619936641
Energy: 0.6155399074866482
Energy: 0.6170789627169795
Energy: 0.6155399074866482

minimum gb energy = 0.5085936951526523 eV
minimum distance =  2.52555772172817 Angstroms
sigma value = 7


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

Energy: 0.7625416704510649
Energy: 0.6140277823890283
Energy: 0.6710717150342436
Energy: 0.668620721478858
Energy: 0.5442590319460899
Energy: 0.6019671572814719
Energy: 0.6703909532334927
Energy: 0.6019671572801887
Energy: 0.5346500550725557
Energy: 0.5337407288067022
Energy: 0.5636577007233765
Energy: 0.5337407288009279
Energy: 0.5343856763861967
Energy: 0.5340858862863879
Energy: 0.6568196659095682
Energy: 0.5340858862863879
Energy: 0.5721159373683682
Energy: 0.5708573780508539
Energy: 0.605078638273848
Energy: 0.570857378047646
Energy: 0.5721305508889342
Energy: 0.5694943670964191
Energy: 0.6064591438912046
Energy: 0.5694943670944944
Energy: 0.6776386712070795
Energy: 0.5712605672545379
Energy: 0.5765962935896957
Energy: 0.5712605672551795
Energy: 0.6768513026374947
Energy: 0.5424198291639734
Energy: 0.5714804235007032
Energy: 0.5424198291646151
Energy: 0.6529563128047183
Energy: 0.534275419143895
Energy: 0.5344427262586566
Energy: 0.5342754191432534
Energy: 0.6047349601751553
Energy: 0.6021211844546198
Energy: 0.5338471614359417
Energy: 0.6021211844494871
Energy: 0.7098575410068777
Energy: 0.5654766047642087
Energy: 0.5702053675740963
Energy: 0.5654766047642087
Energy: 0.638975921228467
Energy: 0.6391101247294745
Energy: 0.6772096389716324
Energy: 0.63911012473137
Energy: 0.5840678808167656
Energy: 0.5655677215474085
Energy: 0.654331050449736
Energy: 0.5655677215461253
Energy: 0.5651262773369728
Energy: 0.5500834433121675
Energy: 0.5249090248214119
Energy: 0.5500834433102428
Energy: 0.6030405403907986
Energy: 0.5529479967728042
Energy: 0.5235417110132712
Energy: 0.552947996771521
Energy: 0.7434954572296832
Energy: 0.639307775288742
Energy: 0.6389062703101885
Energy: 0.6393077752906667
Energy: 0.7438415266925142
Energy: 0.5646913240631303
Energy: 0.6572175198855846
Energy: 0.5646913240644135
Energy: 0.533951097080513
Energy: 0.6023566769130395
Energy: 0.5638136815254982
Energy: 0.6023566769123979
Energy: 0.5335730006220244
Energy: 0.5343064306386527
Energy: 0.6959924862974084
Energy: 0.5343064306335201
Energy: 0.5769913607410427
Energy: 0.5421642461447347
Energy: 0.7457436946589852
Energy: 0.542164246146018
Energy: 0.5708351810868354
Energy: 0.5714463031970864
Energy: 0.6033470660954019
Energy: 0.5714463031951909
Energy: 0.6760500547849582
Energy: 0.5713089712052962
Energy: 0.5714138332140358
Energy: 0.571308971204013
Energy: 0.6762372011880106
Energy: 0.5713787022866281
Energy: 0.5739892555876078
Energy: 0.5713787022872696
Energy: 0.6930801833305322
Energy: 0.5335017052536277
Energy: 0.5364652638750271
Energy: 0.533501705256194
Energy: 0.604018614938921
Energy: 0.5341992889727607
Energy: 0.533528624247502
Energy: 0.5341992889714774
Energy: 0.6135418162097555
Energy: 0.601887057936719
Energy: 0.576261108324251
Energy: 0.6018870579424933
Energy: 0.6386211046226827
Energy: 0.6409666141338533
Energy: 0.6812845472761792
Energy: 0.6409666141389567
Energy: 0.6048963407412618
Energy: 0.5656515278360438
Energy: 0.5762914353131591
Energy: 0.5656515278379687
Energy: 0.564270661037315
Energy: 0.5515229272594796
Energy: 0.5650467375893707
Energy: 0.5515229272652539
Energy: 0.603653984872871
Energy: 0.5640413138598619
Energy: 0.5248057099990023
Energy: 0.5640413138605035
Energy: 0.7429931331006592
Energy: 0.6388168717990846
Energy: 0.6415991506349074
Energy: 0.6388168718042173

minimum gb energy = 0.5235417110132712 eV
minimum distance =  2.51994700096342 Angstroms
sigma value = 29


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

Energy: 0.4586094026628328
Energy: 0.4592117425974348
Energy: 0.5487101204534398
Energy: 0.6290899847979061
Energy: 0.5521634486642618
Energy: 0.5183589808236885
Energy: 0.5726810246086992
Energy: 0.518358980823912
Energy: 0.5477973992024185
Energy: 0.5879718465990837
Energy: 0.4652311678043856
Energy: 0.5879718465990837
Energy: 0.45944956094699285
Energy: 0.4670887313318736
Energy: 0.5731192429434292
Energy: 0.4670887313318736
Energy: 0.5473068974107493
Energy: 0.5482189734286655
Energy: 0.4590033766568938
Energy: 0.5482189734280198
Energy: 0.5731727455401022
Energy: 0.5869867262889057
Energy: 0.4588776905484301
Energy: 0.5869867262884837
Energy: 0.46537187996778717
Energy: 0.5874617189206389
Energy: 0.6359254860757344
Energy: 0.5874617189206389
Energy: 0.5725809626135643
Energy: 0.4669622710638267
Energy: 0.4589858711256078
Energy: 0.4669622710631563
Energy: 0.5522155183319036
Energy: 0.4671914882360772
Energy: 0.5471209794128838
Energy: 0.4671914882363007

minimum gb energy = 0.4586094026628328 eV
minimum distance =  2.58073226657672 Angstroms
sigma value = 5


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

Energy: 0.6787733937903151
Energy: 0.5398124244282733
Energy: 0.6177903345746832
Energy: 0.5563580201149648
Energy: 0.6395291319020247
Energy: 0.4867181373223828
Energy: 0.5847624120937078
Energy: 0.48671813732298885
Energy: 0.5881385106802838
Energy: 0.5239284741214935
Energy: 0.5850357068111697
Energy: 0.5239284741208875
Energy: 0.49609574593820965
Energy: 0.48668710171504753
Energy: 0.6601549402509337
Energy: 0.48668710171504753
Energy: 0.6246232821904076
Energy: 0.4878718806689344
Energy: 0.5852484366574999
Energy: 0.4878718806683284
Energy: 0.5233109869160188
Energy: 0.4881786996585196
Energy: 0.585337959070365
Energy: 0.4881786996585196
Energy: 0.4873004840703989
Energy: 0.4868751280762955
Energy: 0.6595673986264007
Energy: 0.4868751280762955
Energy: 0.48673498413977384
Energy: 0.4872125282549506
Energy: 0.6738294569724806
Energy: 0.4872125282549506
Energy: 0.6151237669167059
Energy: 0.5542618796295283
Energy: 0.6968435811541606
Energy: 0.5542618796289224
Energy: 0.5867383106934955
Energy: 0.4994455753518827
Energy: 0.49907021350278674
Energy: 0.4994455753512767
Energy: 0.6324153726402189
Energy: 0.47916046248400307
Energy: 0.4811104554364316
Energy: 0.4791604624834246
Energy: 0.6713660485434857
Energy: 0.48076965296291596
Energy: 0.47907218135465274
Energy: 0.48076965296412805
Energy: 0.6717427746862829
Energy: 0.47963378708771365
Energy: 0.6434570022734568
Energy: 0.47963378708892573
Energy: 0.6194416552403401
Energy: 0.5534080954387812
Energy: 0.5849578773667701
Energy: 0.5534080954393872
Energy: 0.48851197532586976
Energy: 0.4868082572562227
Energy: 0.586546957444189
Energy: 0.4868082572550106
Energy: 0.4874865100687795
Energy: 0.4872514197764106
Energy: 0.6555974821507227
Energy: 0.48725141977580455
Energy: 0.5252274884168325
Energy: 0.529772883579608
Energy: 0.4940350207573073
Energy: 0.529772883580214
Energy: 0.5848667899048319
Energy: 0.48679784328041675
Energy: 0.5998660632932953
Energy: 0.4867978432798107
Energy: 0.584899469752981
Energy: 0.525723837941936
Energy: 0.5884463111460386
Energy: 0.5257238379407239
Energy: 0.6593437388345709
Energy: 0.48660601359399613
Energy: 0.49387108814762587
Energy: 0.4866060135946022
Energy: 0.5857195195478784
Energy: 0.4879471156721514
Energy: 0.6227275832323691
Energy: 0.4879471156715453
Energy: 0.5848053829910561
Energy: 0.48777525228858476
Energy: 0.5225786554867166
Energy: 0.4877752522891908
Energy: 0.6405964628779998
Energy: 0.48699399452857334
Energy: 0.4884552829054318
Energy: 0.48699399452857334
Energy: 0.6722757762245395
Energy: 0.48695581304680124
Energy: 0.48675454174558014
Energy: 0.4869558130486194
Energy: 0.672002317544395
Energy: 0.5542245298709899
Energy: 0.6158578422060379
Energy: 0.554224529870384
Energy: 0.4801547538627714
Energy: 0.4817402218457016
Energy: 0.5867270580691933
Energy: 0.4817402218450955
Energy: 0.48268735437673976
Energy: 0.4793737376640196
Energy: 0.6149957813248804
Energy: 0.47937373766280744
Energy: 0.48245247776158073
Energy: 0.4792190208290835
Energy: 0.4937117703975484
Energy: 0.47921902083029566
Energy: 0.6442394491339095
Energy: 0.4992368701498504
Energy: 0.6728714792384557
Energy: 0.4992368701510625
Energy: 0.5853820649368828
Energy: 0.553592356413005
Energy: 0.6182984362620136
Energy: 0.5535923564123989
Energy: 0.5846327794963023
Energy: 0.48680401069606233
Energy: 0.48842902498999247
Energy: 0.48680401069606233
Energy: 0.655302436605616
Energy: 0.48724557417388215
Energy: 0.48977882751952284
Energy: 0.48724557417388215
Energy: 0.49584912222152266
Energy: 0.526969895941051
Energy: 0.5237279810107622
Energy: 0.526969895939839

minimum gb energy = 0.47907218135465274 eV
minimum distance =  2.54076990954145 Angstroms
sigma value = 1


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

Energy: 0.7271571140304214
Energy: 0.4675853615671263
Energy: 0.6003241514547799
Energy: 0.4702922727476059
Energy: 0.6256385780795796
Energy: 0.46327594227940605
Energy: 0.5933654139250923
Energy: 0.463275942281082
Energy: 0.5922474306042584
Energy: 0.5123582896331884
Energy: 0.5913016449458817
Energy: 0.5123582896365403
Energy: 0.47168533788814215
Energy: 0.4632391824875545
Energy: 0.6711038931058648
Energy: 0.46323918248671647
Energy: 0.61317456845608
Energy: 0.47108612277142453
Energy: 0.5911454937493036
Energy: 0.47108612277142453
Energy: 0.504438073366308
Energy: 0.4703132228361717
Energy: 0.5917495603281765
Energy: 0.47031322283449584
Energy: 0.46339909253815365
Energy: 0.4626909961191717
Energy: 0.6703944753867648
Energy: 0.46269099611833375
Energy: 0.46360393318655724
Energy: 0.46320482814555947
Energy: 0.7038244951405461
Energy: 0.46320482814555947
Energy: 0.6700577117483238
Energy: 0.49499571848208057
Energy: 0.7050180156125704
Energy: 0.49499571848459434
Energy: 0.5993860218819702
Energy: 0.46342870703072264
Energy: 0.4634327269977527
Energy: 0.46342870702988465
Energy: 0.6704916469992377
Energy: 0.46291445658340463
Energy: 0.46321144166774425
Energy: 0.46291445658424263
Energy: 0.7031474135593881
Energy: 0.4639084813445072
Energy: 0.47018197725012467
Energy: 0.4639084813436693
Energy: 0.7031130050470651
Energy: 0.5021592148183533
Energy: 0.5241862450458797
Energy: 0.5021592148175155
Energy: 0.6507535654353312
Energy: 0.4632814926058528
Energy: 0.5921605556413965
Energy: 0.46328149260333884
Energy: 0.47002213790851405
Energy: 0.5114818463472296
Energy: 0.5929558915544267
Energy: 0.5114818463480676
Energy: 0.4697161689982699
Energy: 0.46327291724110126
Energy: 0.6698491998151926
Energy: 0.46327291724110126
Energy: 0.5271597193158389
Energy: 0.5023941674806414
Energy: 0.5908836621388216
Energy: 0.5023941674814794
Energy: 0.47132778250053153
Energy: 0.46324416071695623
Energy: 0.6685233904617217
Energy: 0.4632441607136044
Energy: 0.46357039052354504
Energy: 0.4632029169638186
Energy: 0.705628697444059
Energy: 0.4632029169638186
Energy: 0.46525370422563195
Energy: 0.48401695080960916
Energy: 0.7039145720760351
Energy: 0.48401695081044716
Energy: 0.5918168623028894
Energy: 0.4959357295323386
Energy: 0.6713392114719728
Energy: 0.4959357295323386
Energy: 0.5903646602020708
Energy: 0.46342606214467646
Energy: 0.46371809084815885
Energy: 0.46342606214300053
Energy: 0.6507492677801802
Energy: 0.4628365422619235
Energy: 0.46407103748477163
Energy: 0.4628365422619235
Energy: 0.7030966984179888
Energy: 0.5021535439952683
Energy: 0.5015046702744568
Energy: 0.5021535439952683

minimum gb energy = 0.46269099611833375 eV
minimum distance =  2.5443719070988 Angstroms
sigma value = 17


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

Energy: 0.7885605850392874
Energy: 0.502111159532326
Energy: 0.6187423948517502
Energy: 0.5069886969599617
Energy: 0.4680883184435086
Energy: 0.4629421394809355
Energy: 0.5490973256654235
Energy: 0.46294213948041757
Energy: 0.6219994751103892
Energy: 0.5516401054921364
Energy: 0.5456272866557936
Energy: 0.5516401054911004
Energy: 0.6196699963526792
Energy: 0.4890990230611764
Energy: 0.5070730244481189
Energy: 0.48909902306070563
Energy: 0.6946518377376365
Energy: 0.4576188652080962
Energy: 0.6843899382198814
Energy: 0.45761886520706035
Energy: 0.4736729654539033
Energy: 0.45772017422511707
Energy: 0.6893223784167918
Energy: 0.45772017422718886
Energy: 0.4585641266386281
Energy: 0.457184180845484
Energy: 0.5044628027906326
Energy: 0.45718418084651985
Energy: 0.46463356009180895
Energy: 0.4694995692312605
Energy: 0.7534620973838502
Energy: 0.46949956923177844
Energy: 0.6895250770469773
Energy: 0.45787063524880683
Energy: 0.7010195466929892
Energy: 0.4578706352498427
Energy: 0.5443031247108192
Energy: 0.4901553505522697
Energy: 0.5528052695933503
Energy: 0.4901553505522697
Energy: 0.6916828892939507
Energy: 0.46304832635809756
Energy: 0.4674818421195927
Energy: 0.46304832635654375
Energy: 0.6879386543085011
Energy: 0.463313517125214
Energy: 0.5800707315123321
Energy: 0.4633135171246961
Energy: 0.6867450554266643
Energy: 0.5035977674167514
Energy: 0.4953230073281865
Energy: 0.5035977674167514
Energy: 0.6324242033792202
Energy: 0.46289522213218814
Energy: 0.46514932172940987
Energy: 0.46289522213167017
Energy: 0.6183680065534323
Energy: 0.4637364200948668
Energy: 0.46734662026240903
Energy: 0.463736420093831
Energy: 0.7495689108654691
Energy: 0.4627503273627468
Energy: 0.691427618810313
Energy: 0.46275032736430055
Energy: 0.46369794131544445
Energy: 0.5520076251051308
Energy: 0.7069766830896662
Energy: 0.552007625103059
Energy: 0.4656692043389881
Energy: 0.46316819337903775
Energy: 0.7242915811778895
Energy: 0.4631681933785198
Energy: 0.47914308027822894
Energy: 0.4634101915658296
Energy: 0.698337065062501
Energy: 0.4634101915663475
Energy: 0.6107734125904116
Energy: 0.5070273891954745
Energy: 0.7892419640770925
Energy: 0.5070273891980642
Energy: 0.5471327862757092
Energy: 0.4629210809253662
Energy: 0.6284548457702811
Energy: 0.4629210809258841
Energy: 0.5473048557545932
Energy: 0.5520732313499483
Energy: 0.6194546494202465
Energy: 0.5520732313515021
Energy: 0.5046794815310941
Energy: 0.48809158725616075
Energy: 0.6181110361631486
Energy: 0.4880915872571966
Energy: 0.6948641369626337
Energy: 0.46950868108876603
Energy: 0.5806541444416908
Energy: 0.4695086810877302
Energy: 0.6877591945915584
Energy: 0.457731892209458
Energy: 0.47112386861690114
Energy: 0.4577318922115297
Energy: 0.5603081151257057
Energy: 0.4573892805486146
Energy: 0.4596147632313665
Energy: 0.45738928055016836
Energy: 0.789104170480413
Energy: 0.46968365701143205
Energy: 0.45832809783940387
Energy: 0.4696836570129858
Energy: 0.6963679413732251
Energy: 0.48958062485126097
Energy: 0.6886263317774454
Energy: 0.4895806248528148
Energy: 0.5527664244153851
Energy: 0.48866071156256163
Energy: 0.5483014842274588
Energy: 0.48866071156049
Energy: 0.46842373054674835
Energy: 0.4630009006808634
Energy: 0.6921407771872448
Energy: 0.4630009006808634
Energy: 0.5829923970018162
Energy: 0.46343508341504297
Energy: 0.6854417373992576
Energy: 0.46343508341711465
Energy: 0.49335099135720273
Energy: 0.47691596154371474
Energy: 0.6852024147541861
Energy: 0.4769159615442327
Energy: 0.4633944282487102
Energy: 0.4628976661470846
Energy: 0.6901592360339843
Energy: 0.46289766614501293
Energy: 0.463185197761603
Energy: 0.4636396925358677
Energy: 0.619070748640558
Energy: 0.46363969253431386
Energy: 0.6921238485200137
Energy: 0.46264613626069634
Energy: 0.7486557016437609
Energy: 0.46264613626017836
Energy: 0.7046754107571678
Energy: 0.4632293346069538
Energy: 0.46376485367130765
Energy: 0.46322933460384624
Energy: 0.7231803038389285
Energy: 0.46308252054864707
Energy: 0.46390044686458043
Energy: 0.46308252054761123
Energy: 0.6264735379633244
Energy: 0.4636404349662206
Energy: 0.50323282175923
Energy: 0.46364043496570273

minimum gb energy = 0.457184180845484 eV
minimum distance =  2.52005089192405 Angstroms
sigma value = 89


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

Energy: 0.8365115973018281
Energy: 0.4512251394162601
Energy: 0.41584781280771044
Energy: 0.4152172596647921
Energy: 0.7670792072367966
Energy: 0.4590482264914091
Energy: 0.5921534481620616
Energy: 0.4590482264914091
Energy: 0.41190357338659883
Energy: 0.4598345542658122
Energy: 0.5994981565926343
Energy: 0.4598345542658122
Energy: 0.4145978633898472
Energy: 0.45859842055896927
Energy: 0.5994060030791016
Energy: 0.4585984205603244
Energy: 0.47499130471879436
Energy: 0.4156890620671203
Energy: 0.5974293011061959
Energy: 0.41568906206847545
Energy: 0.41560733641876313
Energy: 0.4158955443679319
Energy: 0.5969930719538998
Energy: 0.4158955443679319
Energy: 0.4162137098335127
Energy: 0.415117984553958
Energy: 0.5990073906534786
Energy: 0.4151179845526028
Energy: 0.4154884039727426
Energy: 0.41565152012047457
Energy: 0.7668631927506708
Energy: 0.41565152012047457
Energy: 0.5924390975398062
Energy: 0.4154222100617929
Energy: 0.7687335756645394
Energy: 0.4154222100617929
Energy: 0.600282574381294
Energy: 0.45896869158255665
Energy: 0.5991173754371374
Energy: 0.45896869158255665
Energy: 0.5915761192779009
Energy: 0.4586353453986525
Energy: 0.4117455656380306
Energy: 0.4586353453986525
Energy: 0.597265297384312
Energy: 0.41558097317498643
Energy: 0.5995287224018554
Energy: 0.41558097317498643
Energy: 0.5985377893016816
Energy: 0.4160351589731415
Energy: 0.4155009694500827
Energy: 0.41603515897449667
Energy: 0.7738630584046351
Energy: 0.41503968541137304
Energy: 0.4150569830170004
Energy: 0.41503968541137304
Energy: 0.7669186843820576
Energy: 0.415726399666878
Energy: 0.4154331611071027
Energy: 0.415726399666878

minimum gb energy = 0.4117455656380306 eV
minimum distance =  2.56222089074298 Angstroms
sigma value = 13


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

Energy: 0.7469005222109195
Energy: 0.4420002155336306
Energy: 0.4100967509214236
Energy: 0.4066504963763776
Energy: 0.7200065621317588
Energy: 0.40670100019717015
Energy: 0.49831151044892547
Energy: 0.4067010001983062
Energy: 0.7187632729734373
Energy: 0.40662508517414103
Energy: 0.49601541450300174
Energy: 0.40662508517357304
Energy: 0.5697667960261871
Energy: 0.40683125162571965
Energy: 0.5949708815096857
Energy: 0.4068312516262877
Energy: 0.5958352615390685
Energy: 0.40644797088041695
Energy: 0.6520736183199395
Energy: 0.40644797088041695
Energy: 0.49683298904325957
Energy: 0.4065775698066908
Energy: 0.6495260014467155
Energy: 0.4065775698038508
Energy: 0.4970478173488462
Energy: 0.4065322771251803
Energy: 0.642254809902675
Energy: 0.40653227712006834
Energy: 0.495030305511007
Energy: 0.407219093679255
Energy: 0.7783431342390563
Energy: 0.407219093676983
Energy: 0.407159142413596
Energy: 0.40710234050722055
Energy: 0.7748960443241529
Energy: 0.40710234051006056
Energy: 0.4090810649185656
Energy: 0.40700516083453775
Energy: 0.7748061649401378
Energy: 0.40700516083453775
Energy: 0.40720746344804365
Energy: 0.4070144251926779
Energy: 0.7466406827909471
Energy: 0.40701442519154185
Energy: 0.6502337761103241
Energy: 0.42992291075195205
Energy: 0.7747120225136187
Energy: 0.42992291075479205
Energy: 0.6528403686905351
Energy: 0.42855785773470917
Energy: 0.6511996413985537
Energy: 0.42855785774095717
Energy: 0.6443277495655674
Energy: 0.43029783364944163
Energy: 0.5784420167780826
Energy: 0.4302978336483056
Energy: 0.7791234602286112
Energy: 0.4070977670355273
Energy: 0.5935287220842145
Energy: 0.4070977670377993
Energy: 0.7778356708635907
Energy: 0.40727413703519
Energy: 0.4070325359183164
Energy: 0.40727413703973403
Energy: 0.6429199976315831
Energy: 0.40697748004242346
Energy: 0.40961864861765585
Energy: 0.40697748004469547
Energy: 0.7491081788224638
Energy: 0.4070296137574868
Energy: 0.42215646447829264
Energy: 0.4070296137552148
Energy: 0.8304185131222508
Energy: 0.40720561088253665
Energy: 0.5132946069586367
Energy: 0.4072056108859446
Energy: 0.7758814052661288
Energy: 0.40652913389298956
Energy: 0.4905474585095493
Energy: 0.40652913389298956
Energy: 0.5678835393758438
Energy: 0.4071786670826637
Energy: 0.5094230299593404
Energy: 0.40717866708039174
Energy: 0.7760073390904357
Energy: 0.40618441693437574
Energy: 0.6499473901555514
Energy: 0.4061844169321037
Energy: 0.4956401175517058
Energy: 0.40663047009646525
Energy: 0.6526064307741196
Energy: 0.40663047009873726
Energy: 0.41050139190718177
Energy: 0.4064349435190394
Energy: 0.7673638553999822
Energy: 0.4064349435139274
Energy: 0.4951661169592748
Energy: 0.40713582897516104
Energy: 0.7815618810357958
Energy: 0.4071358289745931
Energy: 0.4258179691201061
Energy: 0.4073023878636562
Energy: 0.7766548881578125
Energy: 0.4073023878664962
Energy: 0.40714175876560493
Energy: 0.4067973913703957
Energy: 0.7770631886750329
Energy: 0.4067973913755077
Energy: 0.40704930973990716
Energy: 0.4071702651379168
Energy: 0.7295899371560399
Energy: 0.4071702651362128
Energy: 0.6509457654767752
Energy: 0.4072878045889677
Energy: 0.8307362051510038
Energy: 0.4072878045838557
Energy: 0.489670172050779
Energy: 0.4304275523545881
Energy: 0.6516496209741854
Energy: 0.43042755235629215
Energy: 0.6440594318836269
Energy: 0.43280537523649193
Energy: 0.568084098469453
Energy: 0.4328053752342199
Energy: 0.7773902000630905
Energy: 0.40703313264506313
Energy: 0.6523097551756887
Energy: 0.4070331326467671
Energy: 0.7796180907519304
Energy: 0.40728324590140935
Energy: 0.40690835740318404
Energy: 0.4072832459053854
Energy: 0.8206895955702685
Energy: 0.4069179419035194
Energy: 0.40736705065569245
Energy: 0.4069179419063593
Energy: 0.8286798861086544
Energy: 0.4073111188085833
Energy: 0.42218384280393106
Energy: 0.40731111880687926

minimum gb energy = 0.4061844169321037 eV
minimum distance =  2.54370685402546 Angstroms
sigma value = 37


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

Energy: 0.7264484301903159
Energy: 0.43331102779745345
Energy: 0.38723354509455443
Energy: 0.38722302835404276
Energy: 0.8021090938838378
Energy: 0.3872698379479672
Energy: 0.5300035869727326
Energy: 0.3872698379479672
Energy: 0.6990405218453396
Energy: 0.3881903224257764
Energy: 0.5290349113289516
Energy: 0.38819032242675355
Energy: 0.6985604086048707
Energy: 0.43076353768532016
Energy: 0.6004951997166641
Energy: 0.4307635376862973
Energy: 0.6712495078178988
Energy: 0.3824710525190966
Energy: 0.5851016371194523
Energy: 0.38247105252105107
Energy: 0.5128233749760278
Energy: 0.3817849227366868
Energy: 0.6886302710276577
Energy: 0.3817849227357096
Energy: 0.44017737525465067
Energy: 0.3823334990413317
Energy: 0.633756867737788
Energy: 0.3823334990413317
Energy: 0.5122874293929142
Energy: 0.38174840705984375
Energy: 0.7952389560689745
Energy: 0.3817484070588666
Energy: 0.43959027527604494
Energy: 0.3818019558008256
Energy: 0.7961973370503853
Energy: 0.38180195580180276
Energy: 0.43925430268258026
Energy: 0.3694454193571433
Energy: 0.842449003920989
Energy: 0.3694454193581206
Energy: 0.47389494675013527
Energy: 0.47435951846944446
Energy: 0.6473659501536273
Energy: 0.47435951846846725
Energy: 0.576969921926706
Energy: 0.3695825621131692
Energy: 0.8421009121636843
Energy: 0.36958256211219204
Energy: 0.5874793531465251
Energy: 0.38230465476892234
Energy: 0.6989830331127014
Energy: 0.38230465476696796
Energy: 0.6719872325821508
Energy: 0.4249593632842877
Energy: 0.6988635372846022
Energy: 0.4249593632852649
Energy: 0.5851016371194523
Energy: 0.42517066987281327
Energy: 0.6467059280203489
Energy: 0.42517066987281327
Energy: 0.6886302710266805
Energy: 0.4254340831630691
Energy: 0.5214875572766994
Energy: 0.4254340831640463
Energy: 0.6703294587560139
Energy: 0.4893118152841265
Energy: 0.4402092623349997
Energy: 0.48931181528314927
Energy: 0.7952389560699517
Energy: 0.3879061471142576
Energy: 0.4781455169311528
Energy: 0.387906147111326
Energy: 0.7961973370503853
Energy: 0.38757734655391923
Energy: 0.3873733757388507
Energy: 0.387577346552942
Energy: 0.7497162702901915
Energy: 0.387564529234187
Energy: 0.3875322858442229
Energy: 0.38756452923614143

minimum gb energy = 0.3694454193571433 eV
minimum distance =  2.53428930155107 Angstroms
sigma value = 25


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

Energy: 0.7711902616727675
Energy: 0.38449502453711715
Energy: 0.343147807746175
Energy: 0.3430805210227993
Energy: 0.9006535466714509
Energy: 0.3433569418087485
Energy: 0.4570851511950052
Energy: 0.3433569418087485
Energy: 0.7204553639343144
Energy: 0.3431774135481515
Energy: 0.455679664760812
Energy: 0.3431774135481515
Energy: 0.5448095283100692
Energy: 0.34481185468897346
Energy: 0.6304900725245707
Energy: 0.34481185468668424
Energy: 0.7329788463438716
Energy: 0.37726803003886195
Energy: 0.6444384278767045
Energy: 0.37726803003809883
Energy: 0.5639240973892394
Energy: 0.3763912904786725
Energy: 0.6436498220801237
Energy: 0.37639129047638326
Energy: 0.5623064027296091
Energy: 0.4558492464758463
Energy: 0.734446807904677
Energy: 0.4558492464750832
Energy: 0.6294284837306633
Energy: 0.34462895407037264
Energy: 0.6376369837576376
Energy: 0.3446289540726619
Energy: 0.455640774897743
Energy: 0.3431195319418957
Energy: 0.8133807813565302
Energy: 0.3431195319411327
Energy: 0.4572862632602683
Energy: 0.3434867652374123
Energy: 0.8123542456894451
Energy: 0.3434867652374123
Energy: 0.3430149382526759
Energy: 0.3436091413520874
Energy: 0.6577625046947163
Energy: 0.3436091413505612
Energy: 0.3440747449509155
Energy: 0.3430929883307266
Energy: 0.8123652450160906
Energy: 0.3430929883307266
Energy: 0.34375207175864325
Energy: 0.34312379132655935
Energy: 0.9031252986201811
Energy: 0.3431237913242701
Energy: 0.4439965283849481
Energy: 0.3437202683350675
Energy: 0.7200464636692765
Energy: 0.3437202683358306
Energy: 0.45500584675404127
Energy: 0.3431786737615247
Energy: 0.7339657628294181
Energy: 0.3431786737615247
Energy: 0.45745529057027323
Energy: 0.343242331008591
Energy: 0.7213380684997577
Energy: 0.343242331008591
Energy: 0.6311704369107745
Energy: 0.3438444660480379
Energy: 0.7205933468755823
Energy: 0.3438444660472748
Energy: 0.44431222977372253
Energy: 0.37692463039860263
Energy: 0.7324894510705284
Energy: 0.37692463039860263
Energy: 0.6447378613136414
Energy: 0.37642190291639066
Energy: 0.5628205481695248
Energy: 0.37642190291639066
Energy: 0.8128641164494113
Energy: 0.4564186044621937
Energy: 0.5634309536567191
Energy: 0.4564186044629568
Energy: 0.6577984407728453
Energy: 0.3447238193324066
Energy: 0.44340227429908785
Energy: 0.3447238193308804
Energy: 0.8125351763185013
Energy: 0.3431631236808942
Energy: 0.34439414294860726
Energy: 0.3431631236801312
Energy: 0.8116186728490197
Energy: 0.3436260718592925
Energy: 0.4556930540664883
Energy: 0.3436260718592925
Energy: 0.6584131018050738
Energy: 0.3437304038430673
Energy: 0.3432013231308347
Energy: 0.34373040384230424
Energy: 0.8133498035380294
Energy: 0.34296785290443543
Energy: 0.34390325791185994
Energy: 0.3429678529029093
Energy: 0.7210409483242175
Energy: 0.3432732680537909
Energy: 0.3432393387966246
Energy: 0.3432732680530278

minimum gb energy = 0.3429678529029093 eV
minimum distance =  2.55921638419431 Angstroms
sigma value = 41


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

Energy: 0.8527352687288188
Energy: 0.35614537153742676
Energy: 0.3203101749520472
Energy: 0.32032131641007244
Energy: 0.9396614084881889
Energy: 0.32038028619083264
Energy: 0.41427724886564027
Energy: 0.32038028619083264
Energy: 0.7827693410659543
Energy: 0.319897123595413
Energy: 0.3996424020337055
Energy: 0.3198971235947874
Energy: 0.6554658202035618
Energy: 0.32003050202171185
Energy: 0.5516631568722399
Energy: 0.3200305020210862
Energy: 0.7914536635626493
Energy: 0.41997006846354107
Energy: 0.5693438406634914
Energy: 0.41997006846354107
Energy: 0.6317847446996903
Energy: 0.5114709573381704
Energy: 0.5686117909363237
Energy: 0.5114709573375449
Energy: 0.634029189763817
Energy: 0.42546151954222305
Energy: 0.7123123800998961
Energy: 0.4254615195428486
Energy: 0.6446826881283588
Energy: 0.4248795947250188
Energy: 0.5681121890110583
Energy: 0.42487959472439313
Energy: 0.499293323424763
Energy: 0.4211590222947426
Energy: 0.7088699365209679
Energy: 0.4211590222959939
Energy: 0.5028994620559397
Energy: 0.4203724509771431
Energy: 0.862689468775867
Energy: 0.4203724509771431
Energy: 0.40105161291018093
Energy: 0.3204130111535698
Energy: 0.7531553464510813
Energy: 0.32041301115482096
Energy: 0.4120422312382927
Energy: 0.31978481442400414
Energy: 0.8624338486944716
Energy: 0.31978481442462975
Energy: 0.4030549747026844
Energy: 0.3207248514617429
Energy: 0.8626328630519563
Energy: 0.32072485146299406
Energy: 0.3204071821274641
Energy: 0.3205606965779999
Energy: 0.7078601175010366
Energy: 0.3205606965779999
Energy: 0.32213582864107143
Energy: 0.3207837329464897
Energy: 0.8649388109755177
Energy: 0.3207837329452385
Energy: 0.3209814511604494
Energy: 0.3206841434167027
Energy: 0.7838639629113315
Energy: 0.3206841434160771
Energy: 0.4018759366802188
Energy: 0.32089764752068295
Energy: 0.7867532849785578
Energy: 0.3208976475213085
Energy: 0.40047257701767675
Energy: 0.3203985888872655
Energy: 0.7913667036363355
Energy: 0.32039858888851674
Energy: 0.4042542665426099
Energy: 0.3201470444526994
Energy: 0.6330768852619468
Energy: 0.3201470444514482
Energy: 0.5584398004809017
Energy: 0.32039772253520066
Energy: 0.6314974079615708
Energy: 0.32039772253520066
Energy: 0.5665105718967052
Energy: 0.41974957103614347
Energy: 0.7047466166694237
Energy: 0.4197495710367691
Energy: 0.5587909281488105
Energy: 0.4258901243590003
Energy: 0.6356665855233753
Energy: 0.4258901243590003
Energy: 0.7087902161451243
Energy: 0.5108503337334986
Energy: 0.6324208428639772
Energy: 0.5108503337328729
Energy: 0.5580498744780311
Energy: 0.42475772606991263
Energy: 0.5583826617254968
Energy: 0.42475772606991263
Energy: 0.708822487092575
Energy: 0.4219544987406718
Energy: 0.47900791804296283
Energy: 0.42195449873942065
Energy: 0.7082935484594441
Energy: 0.4203109013270808
Energy: 0.5571589323924233
Energy: 0.4203109013270808
Energy: 0.7110396167996105
Energy: 0.32053336588417985
Energy: 0.4043102588631359
Energy: 0.32053336588417985
Energy: 0.7927729383801361
Energy: 0.3223930740981579
Energy: 0.39949870811978655
Energy: 0.3223930740994091
Energy: 0.7101316409712819
Energy: 0.32096439143231664
Energy: 0.40095394525871836
Energy: 0.32096439143356786
Energy: 0.7087631610780575
Energy: 0.32068190367340116
Energy: 0.3206903115713976
Energy: 0.3206819036740267
Energy: 0.8648458415990787
Energy: 0.3206652611307592
Energy: 0.3216670145291782
Energy: 0.320665261129508
Energy: 0.7821592739151128
Energy: 0.3206933629032454
Energy: 0.32089850495934685
Energy: 0.32069336290261985

minimum gb energy = 0.31978481442400414 eV
minimum distance =  2.55800460280169 Angstroms
sigma value = 15


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

Energy: 0.7345088150262392
Energy: 0.332887023818041
Energy: 0.3012199699129555
Energy: 0.3013663130651373
Energy: 0.9668372763776945
Energy: 0.3010108329193243
Energy: 0.36745142801060227
Energy: 0.3010108329193243
Energy: 0.830364759780721
Energy: 0.3025956351712118
Energy: 0.37298704855568166
Energy: 0.30259563517015187
Energy: 0.6995463517450978
Energy: 0.30226154684144
Energy: 0.4973526452543706
Energy: 0.30226154683985007
Energy: 0.8364101764518443
Energy: 0.38925037190691913
Energy: 0.5119251876804082
Energy: 0.38925037190691913
Energy: 0.6938258373047134
Energy: 0.4701360911636373
Energy: 0.513539900154134
Energy: 0.4701360911625774
Energy: 0.567002865896707
Energy: 0.38694183613807803
Energy: 0.6359707080335875
Energy: 0.38694183613754807
Energy: 0.7043738942444315
Energy: 0.47565227867786664
Energy: 0.5054645707282923
Energy: 0.47565227867839655
Energy: 0.5662736959287922
Energy: 0.47450935786625426
Energy: 0.6325758603173792
Energy: 0.47450935786519427
Energy: 0.5660464767527786
Energy: 0.47470376424618604
Energy: 0.7643579408166107
Energy: 0.47470376424512606
Energy: 0.5059754372925644
Energy: 0.3876719482629176
Energy: 0.6547072685749886
Energy: 0.3876719482634476
Energy: 0.43556470065686115
Energy: 0.3885612437343904
Energy: 0.7647546570423253
Energy: 0.3885612437359803
Energy: 0.5019986759070038
Energy: 0.3878625192614371
Energy: 0.7622298848362473
Energy: 0.38786251926196713
Energy: 0.37026085991897467
Energy: 0.30164029167245365
Energy: 0.6389492593646007
Energy: 0.30164029167245365
Energy: 0.3682679462600402
Energy: 0.3022277804925439
Energy: 0.9007568419856822
Energy: 0.30222778049153215
Energy: 0.37249936991033056
Energy: 0.3016429556083939
Energy: 0.7640095790457064
Energy: 0.30164295561051374
Energy: 0.30131600942715947
Energy: 0.30182692797842703
Energy: 0.7664792763348497
Energy: 0.3018269279810769
Energy: 0.3013133696086567
Energy: 0.30128529168727003
Energy: 0.8364525830406574
Energy: 0.30128529168674006
Energy: 0.30183241753029305
Energy: 0.3016555509363822
Energy: 0.6958826924440341
Energy: 0.3016555509347922
Energy: 0.373210160645736
Energy: 0.3014833889294325
Energy: 0.8329788508810909
Energy: 0.3014833889294325
Energy: 0.3665840854370236
Energy: 0.30260201830459527
Energy: 0.9024147639548705
Energy: 0.3026020183061852
Energy: 0.3737891922109041
Energy: 0.3018969990099234
Energy: 0.6982874302155162
Energy: 0.30189699900833344
Energy: 0.5024963391975067
Energy: 0.38754403438653645
Energy: 0.6944295507245098
Energy: 0.38754403438547647
Energy: 0.5033027815755111
Energy: 0.3883958889178598
Energy: 0.7666899575093036
Energy: 0.38839588891732985
Energy: 0.49961295114971443
Energy: 0.3023142724714133
Energy: 0.5754357112754672
Energy: 0.3023142724714133
Energy: 0.6304613718300773
Energy: 0.4749971472969686
Energy: 0.7645347416757559
Energy: 0.4749971472969686
Energy: 0.5027467200254285
Energy: 0.4743898154053635
Energy: 0.634316173654365
Energy: 0.4743898154053635
Energy: 0.6276346577075066
Energy: 0.4767126216011332
Energy: 0.5775503653728505
Energy: 0.4767126216016632
Energy: 0.6313726703589442
Energy: 0.38707656115029504
Energy: 0.6301778513762651
Energy: 0.38707656115029504
Energy: 0.6303795094520781
Energy: 0.38719399141047417
Energy: 0.5152994936483237
Energy: 0.38719399141047417
Energy: 0.8363251632157209
Energy: 0.38945394468409494
Energy: 0.435814393951001
Energy: 0.389453944682505
Energy: 0.6333784683056495
Energy: 0.301382970165813
Energy: 0.5000379265814126
Energy: 0.3013829701668729
Energy: 0.7622746592417489
Energy: 0.30320619557429596
Energy: 0.38376534584288735
Energy: 0.3032061955769458
Energy: 0.8362878001110927
Energy: 0.30095946181516503
Energy: 0.38252841629587814
Energy: 0.3009594618141051
Energy: 0.7645043056409291
Energy: 0.3014548657360967
Energy: 0.4324673350172589
Energy: 0.30145486573450675
Energy: 0.898787218504904
Energy: 0.30150347744537137
Energy: 0.30529842484158265
Energy: 0.30150347744537137
Energy: 0.8296164428007676
Energy: 0.30160623984098356
Energy: 0.3057720378332973
Energy: 0.3016062398383337

minimum gb energy = 0.3009594618141051 eV
minimum distance =  2.55339892934225 Angstroms
sigma value = 85


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

Energy: 0.7818122087235192
Energy: 0.328937954004614
Energy: 0.27317735424220785
Energy: 0.2732344264068436
Energy: 0.9767691976222412
Energy: 0.2731994573869871
Energy: 0.3301357050870099
Energy: 0.2731994573869871
Energy: 0.7323204105427289
Energy: 0.2733068974199299
Energy: 0.3298168988880352
Energy: 0.2733068974208492
Energy: 0.6136638687332615
Energy: 0.27469638373025307
Energy: 0.44771141296295897
Energy: 0.2746963837297934
Energy: 0.8631066425672528
Energy: 0.35028683686858436
Energy: 0.4556297561506145
Energy: 0.35028683686858436
Energy: 0.6139561494553316
Energy: 0.42098283653289476
Energy: 0.44864620472425054
Energy: 0.4209828365324351
Energy: 0.6155439461603572
Energy: 0.3504582231493524
Energy: 0.5598361830861244
Energy: 0.35045822314889274
Energy: 0.7479973719974734
Energy: 0.4283971888696358
Energy: 0.44839755098132655
Energy: 0.4283971888700954
Energy: 0.6148403721727312
Energy: 0.43169280995747883
Energy: 0.5600511384432781
Energy: 0.4316928099570191
Energy: 0.6144646654811008
Energy: 0.43765301401547657
Energy: 0.6753433978684927
Energy: 0.437653014015017
Energy: 0.5563988613259863
Energy: 0.4314364893074046
Energy: 0.5740507985308586
Energy: 0.4314364893078642
Energy: 0.5046943728350194
Energy: 0.4290220903163527
Energy: 0.6751089981525239
Energy: 0.429022090315893
Energy: 0.5607491588934008
Energy: 0.4288070256075055
Energy: 0.6746368811060434
Energy: 0.4288070256084248
Energy: 0.4474623111610972
Energy: 0.3506935575060894
Energy: 0.5639836518162511
Energy: 0.3506935575060894
Energy: 0.38707280205516686
Energy: 0.35097364059568076
Energy: 0.7958993709645581
Energy: 0.35097364059568076
Energy: 0.44799159171694314
Energy: 0.3505025180228096
Energy: 0.6730720311607262
Energy: 0.3505025180218903
Energy: 0.33320015538109266
Energy: 0.27427862660065205
Energy: 0.6728370674218456
Energy: 0.27427862660065205
Energy: 0.3296635289046183
Energy: 0.2744791588349656
Energy: 0.8638963447397405
Energy: 0.27447915883542523
Energy: 0.333125709191201
Energy: 0.27381171190042425
Energy: 0.792943486717119
Energy: 0.27381171189996467
Energy: 0.27329526343771415
Energy: 0.27386995446970147
Energy: 0.7929203585774032
Energy: 0.27386995446970147
Energy: 0.27385085119022534
Energy: 0.27365238451262597
Energy: 0.9181487993612353
Energy: 0.2736523845130856
Energy: 0.2736140595156054
Energy: 0.2741223478439601
Energy: 0.7311657761868666
Energy: 0.27412234784441974
Energy: 0.3422062625084727
Energy: 0.27338438424521294
Energy: 0.8549822974270564
Energy: 0.27338438424521294
Energy: 0.3314463226676597
Energy: 0.2745405372891532
Energy: 0.9161985458149535
Energy: 0.2745405372896129
Energy: 0.3334092710451262
Energy: 0.2746171032565337
Energy: 0.6399232777599104
Energy: 0.27461710325699334
Energy: 0.44842589930471133
Energy: 0.35022962192729273
Energy: 0.855207022735402
Energy: 0.35022962192683305
Energy: 0.45534422445077155
Energy: 0.351363195015581
Energy: 0.7345120067532515
Energy: 0.351363195015581
Energy: 0.5595366897697853
Energy: 0.3503832369732734
Energy: 0.6410513936228986
Energy: 0.3503832369732734
Energy: 0.5601926629691125
Energy: 0.428857045052267
Energy: 0.7970424368410906
Energy: 0.428857045052267
Energy: 0.5604584452484055
Energy: 0.42910160260732816
Energy: 0.6157797152378965
Energy: 0.42910160260732816
Energy: 0.6746053198104489
Energy: 0.4317099013758473
Energy: 0.5046346798652622
Energy: 0.4317099013758473
Energy: 0.5590880218641825
Energy: 0.4315600119784728
Energy: 0.6748186898896767
Energy: 0.4315600119784728
Energy: 0.6756108637696409
Energy: 0.4290996071653736
Energy: 0.5044295040510576
Energy: 0.4290996071653736
Energy: 0.7969469097860302
Energy: 0.4288559730296427
Energy: 0.5037552168079348
Energy: 0.4288559730296427
Energy: 0.5735465634053416
Energy: 0.35027220348601973
Energy: 0.5338349634264297
Energy: 0.35027220348556004
Energy: 0.7962617854010314
Energy: 0.3505362872933742
Energy: 0.44778303510279016
Energy: 0.3505362872938339
Energy: 0.7940551152669179
Energy: 0.3502672681990767
Energy: 0.45761952949733853
Energy: 0.35026726819999604
Energy: 0.6727270536670655
Energy: 0.27401996014670227
Energy: 0.3330816926090633
Energy: 0.27401996014624264
Energy: 0.9167329134606224
Energy: 0.2733031136402439
Energy: 0.33078686692874626
Energy: 0.27330311364070353
Energy: 0.7935984229773597
Energy: 0.27349811859930834
Energy: 0.33296114080093897
Energy: 0.2734981185997679
Energy: 0.6726172367181267
Energy: 0.27412824377340955
Energy: 0.2735757479076787
Energy: 0.2741282437738692
Energy: 0.8630992950045903
Energy: 0.2738195363984823
Energy: 0.2735714955103789
Energy: 0.27381953639802264
Energy: 0.7332040359124575
Energy: 0.2738085171548271
Energy: 0.27368233573132816
Energy: 0.2738085171548271

minimum gb energy = 0.27317735424220785 eV
minimum distance =  2.55918439678868 Angstroms
sigma value = 113


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

Energy: 0.011646852645506325
Energy: 0.012112777338354178
Energy: 0.796527025210333
Energy: 0.34668090639816385
Energy: 0.012346676738731377
Energy: 0.0639468984190429
Energy: 0.5101717566482621
Energy: 0.06394689841835581
Energy: 0.012036155553600807
Energy: 0.06308926646055556
Energy: 0.5079906922174422
Energy: 0.06308926646055556
Energy: 0.013148473968711223
Energy: 0.06256810864107126
Energy: 0.5081862827056731
Energy: 0.06256810864038419
Energy: 0.5087512002524445
Energy: 0.06327285320415774
Energy: 0.5080136197308512
Energy: 0.06327285320347066
Energy: 0.011957459120767478
Energy: 0.06288222702120623
Energy: 0.5084970602695332
Energy: 0.06288222702085287

minimum gb energy = 0.011646852645506325 eV
minimum distance =  2.82775324403817 Angstroms
sigma value = 1