Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000764727593
cohesive_energy=4.450350029950939
mass=58.6934
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=[6.53213822388336e-20, 1.42254058979592e-19, 2.41100346414222e-19, 3.3853671841093195e-19, 4.1388868768458594e-19, 4.67882040250386e-19, 5.07933251747118e-19, 5.40064904141988e-19, 5.66620981850538e-19, 5.88830354351046e-19, 6.075726166155779e-19, 6.2375940714888e-19, 6.38198222974488e-19, 6.51454632444204e-19, 6.63626368332702e-19, 6.7456442821302e-19, 6.841294227179999e-19, 6.92273286548622e-19, 6.990280632375659e-19, 7.043985593147339e-19, 7.083815704268579e-19, 7.11044387992566e-19, 7.1251678831921205e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110331727561279e-19, 7.084152161361718e-19, 7.04440215907218e-19, 6.987060257341319e-19, 6.90715970860374e-19, 6.798436002220499e-19, 6.653086537984019e-19, 6.46321258508868e-19, 6.22179660987756e-19, 5.92335916826238e-19, 5.5644395587137e-19, 5.14446099764328e-19, 4.66276659263118e-19, 4.11680888282934e-19, 3.5014929465416396e-19, 2.81425530115368e-19, 2.11176493421004e-19, 1.515617439171516e-19, 1.228393631817702e-19, 1.7032739796053998e-19, 4.12057399791924e-19, 1.163337249594132e-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: 0.0 eV

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

Energy: 0.01810388632040897
Energy: 0.16217878976664413
Energy: 1.0349795591891193
Energy: 0.019129474292890372
Energy: 0.1621787897659826
Energy: 1.3711023954554888
Energy: 0.019129474292890372
Energy: 1.3711023954580617
Energy: 1.0349795592169402
Energy: 0.019129474292890372
Energy: 0.01810388632040897
Energy: 0.16217878976664413
Energy: 0.019129474292890372
Energy: 1.3711023954580617
Energy: 0.16217878976664413
Energy: 1.3711023954554888

minimum gb energy = 0.01810388632040897 eV
minimum distance =  2.45247841824699 Angstroms
sigma value = 1


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

Energy: 2.0332406764964497
Energy: 1.4052272160955648
Energy: 1.4074863025356235
Energy: 1.310575702931248
Energy: 1.3379190148313338
Energy: 1.4407497082909042
Energy: 1.3382848417581226
Energy: 1.4407497082909042
Energy: 1.4073675858478147
Energy: 1.404647426462302
Energy: 2.2059793017461824
Energy: 1.4046474264606974
Energy: 1.3412405227922284
Energy: 1.518172753068853
Energy: 1.3382129021874887
Energy: 1.5181727530664464
Energy: 1.893539954839048
Energy: 1.3378355565460749
Energy: 1.342348907688329
Energy: 1.3378355565444704
Energy: 1.431964014268847
Energy: 1.425315476560977
Energy: 1.3376765586063029
Energy: 1.4253154765625817
Energy: 1.4168328708127353
Energy: 1.4486637885616374
Energy: 1.8903260297779891
Energy: 1.4486637885608349
Energy: 1.4162600893279007
Energy: 1.4141712167789477
Energy: 1.4676804291750667
Energy: 1.4141712167797502
Energy: 1.6385007053928227
Energy: 1.6305861558588883
Energy: 1.446422514900915
Energy: 1.630586155858086
Energy: 1.45520486078935
Energy: 1.5620761816820756
Energy: 1.4455535655406877
Energy: 1.5620761816828779
Energy: 1.4417328418515247
Energy: 1.6305168770249148
Energy: 1.637754803922172
Energy: 1.6305168770241125
Energy: 1.4150052719025368
Energy: 1.6274556550967247
Energy: 1.472018910809142
Energy: 1.62745565509512
Energy: 1.4477186317861552
Energy: 1.4469836758020356
Energy: 1.366819738121474
Energy: 1.4469836758052446
Energy: 1.432600552976328
Energy: 1.4481536976955867
Energy: 1.4142434637118246
Energy: 1.4481536976971912
Energy: 1.3665574487524277
Energy: 1.3364581512140887
Energy: 1.338279125752172
Energy: 1.3364581512108795
Energy: 1.3929944657396478
Energy: 1.3375169289687747
Energy: 1.337769633549031
Energy: 1.3375169289679725
Energy: 1.405710561955336
Energy: 1.4048029909971613
Energy: 1.3045706515810678
Energy: 1.4048029909947544
Energy: 1.337840299322157
Energy: 1.3418154224365046
Energy: 1.3702636752266681
Energy: 1.3418154224349006
Energy: 1.3377021509242708
Energy: 1.4051325940151147
Energy: 1.4082639295176997
Energy: 1.4051325940175217
Energy: 1.4316840224346155
Energy: 1.3417505415129811
Energy: 1.3410060547626348
Energy: 1.3417505415121787
Energy: 1.3373865414641286
Energy: 1.33739461020755
Energy: 1.413816594538961
Energy: 1.3373946102051435
Energy: 1.3375174317867802
Energy: 1.337868748622877
Energy: 1.4317472570807228
Energy: 1.3378687486236793
Energy: 1.413414960473288
Energy: 1.448055963163059
Energy: 1.4137262263798072
Energy: 1.448055963163059
Energy: 1.4673741205095852
Energy: 1.4495622413290856
Energy: 1.4154109015924699
Energy: 1.4495622413258764
Energy: 1.4454610489146706
Energy: 1.632523575718006
Energy: 1.638628543315469
Energy: 1.6325235757164016
Energy: 1.4480599644477743
Energy: 1.6275956802976115
Energy: 1.4578834894458248
Energy: 1.627595680296007
Energy: 1.640299622457423
Energy: 1.6321534746145507
Energy: 1.441003911514032
Energy: 1.6321534746153528
Energy: 1.468560336451284
Energy: 1.6295107706425984
Energy: 1.4498829933762851
Energy: 1.6295107706417962
Energy: 1.3665657695675448
Energy: 1.4446709094705998
Energy: 1.4476428738706817
Energy: 1.4446709094689956
Energy: 1.4150377657995117
Energy: 1.4176039299359355
Energy: 1.4325912577480355
Energy: 1.4176039299423537
Energy: 1.3366687424418013
Energy: 1.3364263475014537
Energy: 1.366537589699807
Energy: 1.336426347499047
Energy: 1.3369424195356232
Energy: 1.3368682672309617
Energy: 1.392069142007676
Energy: 1.336868267228555
Energy: 1.3039939174914057
Energy: 1.4053424451924486
Energy: 1.4071114555612847
Energy: 1.4053424451908443

minimum gb energy = 1.3039939174914057 eV
minimum distance =  2.26145549804569 Angstroms
sigma value = 1


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

Energy: 2.31274059357968
Energy: 1.4786184081336378
Energy: 1.4804734929461063
Energy: 1.372560869758953
Energy: 1.4086683656477226
Energy: 1.5135104375269277
Energy: 1.4086217885614598
Energy: 1.513510437529672
Energy: 1.4791463518897852
Energy: 1.478596982319557
Energy: 2.129680845570366
Energy: 1.4785969823241307
Energy: 1.4141241589062807
Energy: 1.5988803539676706
Energy: 1.4082521790501272
Energy: 1.598880353963097
Energy: 1.40886538644356
Energy: 1.4087380924102297
Energy: 1.4079995849136933
Energy: 1.408738092404741
Energy: 1.520030505349254
Energy: 1.5096309186039436
Energy: 1.4102132265615681
Energy: 1.5096309186021142
Energy: 1.5055228755023402
Energy: 1.5989605173770278
Energy: 1.798009457643898
Energy: 1.5989605173715389
Energy: 1.5032598396511982
Energy: 1.504004547889815
Energy: 1.5515591466481076
Energy: 1.5040045478879853
Energy: 1.5054166241103166
Energy: 1.723987758134349
Energy: 1.5235996517793322
Energy: 1.7239877581325194
Energy: 1.5531613722166981
Energy: 1.7232360373282682
Energy: 1.5033349419407112
Energy: 1.7232360373319273
Energy: 1.44962787053947
Energy: 1.599292440470156
Energy: 1.552542098088365
Energy: 1.599292440470156
Energy: 1.500222199018309
Energy: 1.6025574225578656
Energy: 1.5196192388518284
Energy: 1.6025574225578656
Energy: 1.410671931803409
Energy: 1.4079714848156424
Energy: 1.4501866627222342
Energy: 1.4079714848101539
Energy: 1.4081063437186083
Energy: 1.407717401749171
Energy: 1.463894542767179
Energy: 1.4077174017500858
Energy: 1.366960545522172
Energy: 1.4787699797000264
Energy: 1.479311000301304
Energy: 1.4787699796981968
Energy: 1.4486571503457946
Energy: 1.4144360177880415
Energy: 1.4087400433183952
Energy: 1.4144360177907858
Energy: 1.4783281812611728
Energy: 1.4788531681954737
Energy: 1.409242784102706
Energy: 1.4788531681863262
Energy: 1.4139239090388476
Energy: 1.4140296238658536
Energy: 1.5196262260988571
Energy: 1.4140296238640242
Energy: 1.408423197886882
Energy: 1.4086834021074257
Energy: 1.409171501300543
Energy: 1.4086834021092551
Energy: 1.5200610730617492
Energy: 1.4092368756330615
Energy: 1.4100540763951495
Energy: 1.4092368756303173
Energy: 1.5012603461574405
Energy: 1.5989422834623646
Energy: 1.7968906048222948
Energy: 1.5989422834623646
Energy: 1.5011911171066243
Energy: 1.5060287476442078
Energy: 1.5519165956952081
Energy: 1.5060287476167655
Energy: 1.797284049850621
Energy: 1.7242160718057764
Energy: 1.523542293997789
Energy: 1.7242160718121797
Energy: 1.5528811483622602
Energy: 1.7269857753186215
Energy: 1.5345247424799386
Energy: 1.7269857753113034
Energy: 1.450427091596226
Energy: 1.5986890208234437
Energy: 1.5522642076872633
Energy: 1.598689020825273
Energy: 1.5002016015307922
Energy: 1.5984942916720912
Energy: 1.519471096267567
Energy: 1.5984942916730058
Energy: 1.4089830105083923
Energy: 1.4079426141942024
Energy: 1.449528579876671
Energy: 1.4079426141978613
Energy: 1.4081498352713882
Energy: 1.407580614415465
Energy: 1.4642309844334422
Energy: 1.4075806144118062
Energy: 1.364180265789318
Energy: 1.4787640729642122
Energy: 1.4804900262403486
Energy: 1.4787640729532767

minimum gb energy = 1.364180265789318 eV
minimum distance =  2.26300851141455 Angstroms
sigma value = 25


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

Energy: 2.354497852397111
Energy: 1.5739379111860694
Energy: 1.5757176170887237
Energy: 1.5043909743078099
Energy: 1.5080517647347367
Energy: 1.6109642574595318
Energy: 1.5431344596851035
Energy: 1.6109642574563416
Energy: 1.577701503946233
Energy: 1.5760273020802975
Energy: 2.1228027665512985
Energy: 1.5760273020813609
Energy: 1.5196977888574474
Energy: 1.6605785875403742
Energy: 1.5090935020544325
Energy: 1.6605785875414376
Energy: 2.1195289197510876
Energy: 1.5098256619730914
Energy: 1.5089283833471394
Energy: 1.5098256619699015
Energy: 1.646117591802655
Energy: 1.5110387108412067
Energy: 1.5091769449366226
Energy: 1.5110387108422703
Energy: 1.5987341678111398
Energy: 1.7320564760206167
Energy: 1.757499179227101
Energy: 1.7320564760238069
Energy: 1.5941737376876175
Energy: 1.7358267029341945
Energy: 1.676273570898422
Energy: 1.7358267029320678
Energy: 1.7236936318544676
Energy: 1.7489745139906265
Energy: 1.5256631500174325
Energy: 1.7489745139927533
Energy: 1.636525778045181
Energy: 1.7179502459891303
Energy: 1.5587500818450162
Energy: 1.7179502459891303
Energy: 1.4976450071111957
Energy: 1.5837240147071234
Energy: 1.583650093794492
Energy: 1.5837240147081866
Energy: 1.470925344221186
Energy: 1.5576579969160458
Energy: 1.5838834164523325
Energy: 1.5576579969160458
Energy: 1.4481331852448023
Energy: 1.4470246624345389
Energy: 1.4274731673073486
Energy: 1.4470246624387926
Energy: 1.4459117441808844
Energy: 1.427614710876039
Energy: 1.5483902252118729
Energy: 1.427614710874976
Energy: 1.4666021731195382
Energy: 1.6480304283010363
Energy: 1.650690627582151
Energy: 1.6480304282967828
Energy: 1.6091091434351195
Energy: 1.5629032070170734
Energy: 1.6555201521894196
Energy: 1.562903207021327
Energy: 1.516174450945295
Energy: 1.524629478926965
Energy: 1.464548868128599
Energy: 1.5246294789237747
Energy: 1.5125551374996205
Energy: 1.5221327951749763
Energy: 1.614246033016198
Energy: 1.5221327951749763
Energy: 1.7575237606162226
Energy: 1.7147140603216031
Energy: 1.615508490755023
Energy: 1.7147140603226667
Energy: 1.6778632899719066
Energy: 1.7132062089490558
Energy: 1.6107082742561996
Energy: 1.7132062089511342
Energy: 1.5244906704670604
Energy: 1.7358308403135096
Energy: 1.70819843798951
Energy: 1.7358308403113827
Energy: 1.5619693886356074
Energy: 1.7424117862288249
Energy: 1.6442000653093967
Energy: 1.7424117862288249
Energy: 1.5073379188575058
Energy: 1.5073722778493317
Energy: 1.4970214670781268
Energy: 1.5073722778503948
Energy: 1.507695678786397
Energy: 1.5074991980798442
Energy: 1.5337866313455712
Energy: 1.5074991980798442
Energy: 1.4990827221916914
Energy: 1.574061429639498
Energy: 1.5754186835675075
Energy: 1.5740614296405615

minimum gb energy = 1.4274731673073486 eV
minimum distance =  2.25266792320668 Angstroms
sigma value = 9


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

Energy: 2.075711277452657
Energy: 1.6466191377039514
Energy: 1.6463212225491655
Energy: 1.511214528905416
Energy: 1.6057439397228352
Energy: 1.6786380111864776
Energy: 1.6077583217710332
Energy: 1.6786380111890145
Energy: 1.6460024978848742
Energy: 1.6463048435286325
Energy: 1.6419885147017166
Energy: 1.6463048435248269
Energy: 1.5936725093160602
Energy: 1.678206296705877
Energy: 1.6062424261417725
Energy: 1.67820629670334
Energy: 1.5992736810879762
Energy: 1.591751856034091
Energy: 1.593213837643672
Energy: 1.591751856034091
Energy: 1.7358313090453041
Energy: 1.5921153649430628
Energy: 1.605755161252131
Energy: 1.5921153649456
Energy: 1.6814144399891437
Energy: 1.8178283984229993
Energy: 1.60636917106726
Energy: 1.8178283984229993
Energy: 1.6060221361130231
Energy: 1.820672737839733
Energy: 1.7359813797308292
Energy: 1.8206727378384644
Energy: 1.5893610636706548
Energy: 1.591850405552823
Energy: 1.494872550014146
Energy: 1.5918504055540916
Energy: 1.6040801914344591
Energy: 1.5913067952620492
Energy: 1.4921708012908808
Energy: 1.5913067952633178
Energy: 1.4914923433146094
Energy: 1.6457556952895769
Energy: 1.644664037960371
Energy: 1.6457556952857717
Energy: 1.69089704757306
Energy: 1.5927971346128338
Energy: 1.6026551312277721
Energy: 1.5927971346115652
Energy: 1.6483118993693053
Energy: 1.6467473266220372
Energy: 1.6418604579568472
Energy: 1.6467473266207684
Energy: 1.6464000449245775
Energy: 1.590952924596914
Energy: 1.7933612233938514
Energy: 1.5909529245981824
Energy: 1.599470225409962
Energy: 1.5910608620316715
Energy: 1.6044594939508947
Energy: 1.59106086203294
Energy: 1.7399654010020702
Energy: 1.592215306343349
Energy: 1.6039822314522223
Energy: 1.592215306343349
Energy: 1.6900013996357384
Energy: 1.819981490343387
Energy: 1.6039279181600887
Energy: 1.8199814903421183
Energy: 1.6876903849620124
Energy: 1.8158855108093523
Energy: 1.7401448968595299
Energy: 1.8158855108080838
Energy: 1.5883940669733476
Energy: 1.5918128189637692
Energy: 1.4924583465169758
Energy: 1.5918128189599636
Energy: 1.6051590439209729
Energy: 1.6059995586761862
Energy: 1.4926714467730842
Energy: 1.6059995586761862
Energy: 1.4909537975779181
Energy: 1.646643847129078
Energy: 1.6461614259980073
Energy: 1.646643847129078

minimum gb energy = 1.4909537975779181 eV
minimum distance =  2.26645627433663 Angstroms
sigma value = 25


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

Energy: 1.8568089171948987
Energy: 1.7389353158010283
Energy: 1.7380722606966246
Energy: 1.5753330595714148
Energy: 1.8684055847857342
Energy: 1.6944530007442713
Energy: 1.6096228805314081
Energy: 1.6944530007427023
Energy: 1.7381187010615824
Energy: 1.739669324963833
Energy: 1.7337866894263434
Energy: 1.739669324963833
Energy: 1.7408158505206424
Energy: 1.6937314547912035
Energy: 1.6094336269935527
Energy: 1.6937314547912035
Energy: 1.707025299181052
Energy: 1.8294872488779912
Energy: 1.6085171579510782
Energy: 1.82948724887956
Energy: 1.5620535312585755
Energy: 1.6114129507192418
Energy: 1.6041430469847846
Energy: 1.6114129507192418
Energy: 1.8607220073038533
Energy: 1.7159806961930522
Energy: 1.7106571124765946
Energy: 1.7159806961914834
Energy: 1.554578137039203
Energy: 1.6953041550364438
Energy: 1.6086899593090775
Energy: 1.6953041550380128
Energy: 1.736657465541428
Energy: 1.7376319269955762
Energy: 1.9008679847620988
Energy: 1.7376319269955762
Energy: 1.7782471329287377
Energy: 1.5643018267017799
Energy: 1.7305055396913351
Energy: 1.5643018267017799
Energy: 1.7342904131334502
Energy: 1.7389663303018805
Energy: 1.741226974629984
Energy: 1.7389663303034493
Energy: 1.7352654718296632
Energy: 1.6952881769188282
Energy: 1.7403103885451752
Energy: 1.6952881769188282
Energy: 1.6052034094425582
Energy: 1.8276972515013408
Energy: 1.7063586876328
Energy: 1.8276972515013408
Energy: 1.6083824744391284
Energy: 1.6071593222149017
Energy: 1.5642488169360982
Energy: 1.6071593222149017
Energy: 1.7094551024254232
Energy: 1.718236413308707
Energy: 1.5542938930254315
Energy: 1.7182364133134131
Energy: 1.6051420397856644
Energy: 1.6942835121233313
Energy: 1.5543890623390164
Energy: 1.6942835121280377
Energy: 1.9013413692747234
Energy: 1.7387410293363206
Energy: 1.738290089219662
Energy: 1.7387410293347518

minimum gb energy = 1.5542938930254315 eV
minimum distance =  2.26501847590979 Angstroms
sigma value = 17


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

Energy: 2.4897276744506356
Energy: 1.8924430039367255
Energy: 1.892166009502244
Energy: 1.7931498294459947
Energy: 1.6942440094417166
Energy: 1.7222583183961657
Energy: 1.8953581074352506
Energy: 1.722258318395277
Energy: 1.6922157353693603
Energy: 1.6929802794178639
Energy: 1.8922506712896607
Energy: 1.692980279418752
Energy: 1.693154443255259
Energy: 1.7226844982700023
Energy: 1.7188712457779178
Energy: 1.7226844982682656
Energy: 1.926786343474137
Energy: 1.8614193724988397
Energy: 1.5947387164164557
Energy: 1.8614193724988397
Energy: 1.7223081253764587
Energy: 1.829276997915871
Energy: 1.6920284993935124
Energy: 1.829276997915871
Energy: 1.7804421675383584
Energy: 1.690832809613485
Energy: 1.6910677349706849
Energy: 1.6908328096143737
Energy: 1.9933656937414854
Energy: 1.7190396413569156
Energy: 1.6930898288681548
Energy: 1.7190396413551385
Energy: 1.894389969332725
Energy: 1.8949138399173475
Energy: 1.9272622798893453
Energy: 1.8949138399173475
Energy: 1.8977563393606545
Energy: 1.8302746316820127
Energy: 1.9026612264029539
Energy: 1.830274631682901
Energy: 1.9225610662174082
Energy: 1.6329992495051984
Energy: 1.628198108725853
Energy: 1.6329992495069754
Energy: 1.929801002915943
Energy: 1.685011836840489
Energy: 1.684622230382654
Energy: 1.6850118368413773
Energy: 1.7835540595158281
Energy: 1.681874373138294
Energy: 1.6823357023845176
Energy: 1.681874373138294
Energy: 1.7824486037205627
Energy: 1.7206909659110496
Energy: 1.6293045803640553
Energy: 1.7206909659092726
Energy: 1.8935329661677531
Energy: 1.8953234663071348
Energy: 1.9913472540119423
Energy: 1.8953234663071348
Energy: 1.8945104486087572
Energy: 1.892929739656337
Energy: 1.99184289036609
Energy: 1.892929739657225
Energy: 1.8916770420840026
Energy: 1.6910719965173946
Energy: 1.6946410498975324
Energy: 1.6910719965165057
Energy: 1.8914613074358968
Energy: 1.6914783942023721
Energy: 1.6910574976336827
Energy: 1.6914783942032203
Energy: 1.6921099708819483
Energy: 1.9023604792279876
Energy: 1.6953578372748535
Energy: 1.9023604792262105
Energy: 1.7646798990584236
Energy: 1.862869031909499
Energy: 1.6932648429468833
Energy: 1.862869031910387
Energy: 1.6890616630414779
Energy: 1.720835245842137
Energy: 1.963914182916289
Energy: 1.720835245842137
Energy: 1.6919675347244736
Energy: 1.6934628070494901
Energy: 2.0784012154380376
Energy: 1.6934628070494901
Energy: 1.8069065901367956
Energy: 1.8304240826457308
Energy: 1.8954359859475853
Energy: 1.8304240826457308
Energy: 1.8918265727598005
Energy: 1.8919315030881265
Energy: 1.8932633716649119
Energy: 1.8919315030890154
Energy: 1.633325880895687
Energy: 1.720370976568853
Energy: 1.9001332396336126
Energy: 1.720370976568853
Energy: 1.6838143166206447
Energy: 1.6843952900204533
Energy: 1.6898241176547624
Energy: 1.6843952900195651
Energy: 1.6277775350203105
Energy: 1.636435210125877
Energy: 1.8433945771808826
Energy: 1.6364352101249884
Energy: 1.6339767212748764
Energy: 1.6851861715556014
Energy: 2.077812995568319
Energy: 1.6851861715573782
Energy: 1.6329958156201152
Energy: 1.8990076392529025
Energy: 1.783562447441651
Energy: 1.8990076392537911
Energy: 1.9936148967628053
Energy: 1.8917667847473292
Energy: 1.894115670361665
Energy: 1.8917667847464406

minimum gb energy = 1.5947387164164557 eV
minimum distance =  2.25011847574428 Angstroms
sigma value = 53


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

Energy: 2.6117951771956065
Energy: 1.8812564233950173
Energy: 1.881191759591
Energy: 1.693233037000071
Energy: 1.942474813416037
Energy: 1.8169811867862815
Energy: 1.9164725876627784
Energy: 1.8169811867862815
Energy: 1.9412777779218466
Energy: 1.9413117911101028
Energy: 2.0888015556760604
Energy: 1.941311791112148
Energy: 1.9464884461812069
Energy: 1.8184319687891455
Energy: 1.6685712517962221
Energy: 1.8184319687932362
Energy: 1.9473225730961923
Energy: 1.5331347024527342
Energy: 1.6902477244522172
Energy: 1.5331347024527342
Energy: 2.1546863778865264
Energy: 1.5575527464032566
Energy: 1.689820814958243
Energy: 1.5575527464032566
Energy: 1.9953905299905021
Energy: 1.5290657394620246
Energy: 1.6630852475987417
Energy: 1.52906573946407
Energy: 1.999557575398607
Energy: 1.5280617560565286
Energy: 1.667915292242186
Energy: 1.5280617560544834
Energy: 2.0559487948895074
Energy: 1.9433738346938665
Energy: 1.905346386910094
Energy: 1.9433738346959115
Energy: 2.0360976409185803
Energy: 1.5590598982909385
Energy: 1.6671688450286195
Energy: 1.559059898288893
Energy: 1.9924050071248878
Energy: 1.8225269649186895
Energy: 1.6965806816115212
Energy: 1.822526964920735
Energy: 1.9855204593893176
Energy: 1.9127931058584986
Energy: 1.7242356862040273
Energy: 1.9127931058625893
Energy: 1.9317045309372303
Energy: 1.6694505583536445
Energy: 1.8881796918087748
Energy: 1.66945055835569

minimum gb energy = 1.5280617560544834 eV
minimum distance =  2.29836468597811 Angstroms
sigma value = 9


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

Energy: 2.2069997181705654
Energy: 1.9843913564951576
Energy: 1.9856359222436595
Energy: 1.8737994246109548
Energy: 1.675244013013068
Energy: 1.6654954499656587
Energy: 1.9966458445092665
Energy: 1.6654954499626302
Energy: 1.6688543267021267
Energy: 1.668970563083409
Energy: 2.0608468312885067
Energy: 1.6689705630849232
Energy: 1.6714649383211395
Energy: 1.6692584027641075
Energy: 1.9879934403969275
Energy: 1.6692584027678927
Energy: 1.6691778272426283
Energy: 1.6645957780363332
Energy: 2.098069377839039
Energy: 1.6645957780348193
Energy: 1.6697797251603064
Energy: 1.6649975465661895
Energy: 2.0988147289227803
Energy: 1.6649975465669467
Energy: 1.983490909439545
Energy: 1.9734989315491285
Energy: 1.9922988087761326
Energy: 1.9734989315483717
Energy: 1.9887113342760514
Energy: 1.9722201163737347
Energy: 1.9720619444407004
Energy: 1.9722201163729776
Energy: 1.759436684705311
Energy: 1.8851978773288858
Energy: 1.7874125136787986
Energy: 1.8851978773356992
Energy: 1.6590551137527618
Energy: 1.792699519227259
Energy: 1.9770820940205105
Energy: 1.7926995192287731
Energy: 1.7574540700646202
Energy: 1.7561733150579877
Energy: 1.853763863489015
Energy: 1.7561733150587446
Energy: 1.7786547361605674
Energy: 1.7829778601461448
Energy: 2.1002905991986807
Energy: 1.7829778601446307
Energy: 1.9839799350546856
Energy: 1.7567278775729471
Energy: 1.7750668030367187
Energy: 1.75672787757219
Energy: 1.984078092693419
Energy: 1.7583622065020794
Energy: 1.760848542551371
Energy: 1.758362206498294
Energy: 1.9736319987260662
Energy: 1.7754012470944838
Energy: 1.7704244362472346
Energy: 1.775401247095998
Energy: 1.9167283912993376
Energy: 1.80170638022545
Energy: 1.7691149394274819
Energy: 1.8017063802042526
Energy: 1.9783303299892279
Energy: 1.8423520422096797
Energy: 1.7627981382424083
Energy: 1.8423520422089226
Energy: 1.982398067712453
Energy: 1.980860606790631
Energy: 2.2061327284836865
Energy: 1.9808606067959305
Energy: 1.9960721783286866
Energy: 1.6662286428354263
Energy: 1.6851494928311295
Energy: 1.6662286428361834
Energy: 2.060868356101502
Energy: 1.6698272471993607
Energy: 1.687431990972577
Energy: 1.6698272471986033
Energy: 1.9898637273450446
Energy: 1.667559755990987
Energy: 1.6669310923481502
Energy: 1.667559755987959
Energy: 2.098535789149405
Energy: 1.6638845055821083
Energy: 1.6658370540728062
Energy: 1.6638845055813511
Energy: 2.098358766813124
Energy: 1.6655802819879442
Energy: 1.668643047703163
Energy: 1.6655802819871872
Energy: 1.9983941155135077
Energy: 1.9720205312336605
Energy: 1.991115137068627
Energy: 1.9720205312344177
Energy: 1.9724113225465858
Energy: 1.9713264766071605
Energy: 1.989557754086334
Energy: 1.9713264766079177
Energy: 1.7895408824878742
Energy: 1.8892621888765795
Energy: 1.7573598278494227
Energy: 1.8892621888773362
Energy: 1.97940270870645
Energy: 1.7989609910805848
Energy: 1.6579988491975641
Energy: 1.7989609910805848
Energy: 1.8447443409114985
Energy: 1.7573448907706055
Energy: 1.7571443991514109
Energy: 1.7573448907698486
Energy: 2.204634107983004
Energy: 1.77357932329542
Energy: 1.7744531951897395
Energy: 1.7735793232984483
Energy: 1.7688590874154826
Energy: 1.757192116247519
Energy: 1.9901564496373683
Energy: 1.7571921162467619
Energy: 1.7644970639805273
Energy: 1.7594208160121272
Energy: 1.971664684079805
Energy: 1.759420816013641
Energy: 1.7722079016162768
Energy: 1.7598655300306347
Energy: 1.974578872381532
Energy: 1.7598655300283634
Energy: 1.7693838568144058
Energy: 1.911906560979391
Energy: 1.8460257996406768
Energy: 1.9119065609801482
Energy: 1.7606536681233431
Energy: 1.8404733182049178
Energy: 1.8580652192993645
Energy: 1.840473318207189
Energy: 2.2040655484095852
Energy: 1.9783562117930165
Energy: 1.9793230322217628
Energy: 1.9783562117952875

minimum gb energy = 1.6579988491975641 eV
minimum distance =  2.2563278067164 Angstroms
sigma value = 73


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

Energy: 2.0977963961236785
Energy: 1.8984999647280925
Energy: 1.896551544720732
Energy: 1.6945949438057133
Energy: 1.68171220763836
Energy: 1.6831836422402626
Energy: 1.869694598270816
Energy: 1.6831836422390616
Energy: 1.6985721999498975
Energy: 1.6830636671215502
Energy: 1.8814228313798547
Energy: 1.683063667120349
Energy: 1.6913929082514199
Energy: 1.6857268206223124
Energy: 2.0573684864755846
Energy: 1.6857268206223124
Energy: 1.6830164955278462
Energy: 1.6814070770093692
Energy: 2.048987802457258
Energy: 1.6814070770093692
Energy: 1.6886407796260674
Energy: 1.6809114151233864
Energy: 2.048796028394023
Energy: 1.6809114151233864
Energy: 1.8607145168872663
Energy: 1.874357352810162
Energy: 1.893789967894405
Energy: 1.874357352810162
Energy: 1.860585105616759
Energy: 1.8667117872760364
Energy: 1.8688515192673627
Energy: 1.8667117872760364
Energy: 1.8733978288692559
Energy: 1.815313049603982
Energy: 1.8933463201785938
Energy: 1.8153130496027812
Energy: 1.6655769247465089
Energy: 1.814050740218976
Energy: 1.8755061026986946
Energy: 1.814050740218976
Energy: 1.8642339016204876
Energy: 1.871937761947221
Energy: 1.6733801467183291
Energy: 1.871937761947221
Energy: 1.8957324214932576
Energy: 1.8954823171178192
Energy: 2.0962231757526446
Energy: 1.8954823171178192
Energy: 1.8663736376729947
Energy: 1.679988650075443
Energy: 1.6836203504454772
Energy: 1.6799886500766439
Energy: 1.8707981549080748
Energy: 1.6826891953019465
Energy: 1.6862467537168564
Energy: 1.6826891953007457
Energy: 2.056727084250682
Energy: 1.690114094805079
Energy: 1.694027509364531
Energy: 1.690114094805079
Energy: 2.0499447152621006
Energy: 1.6843926493299561
Energy: 1.6944416430707208
Energy: 1.6843926493299561
Energy: 2.046460990880747
Energy: 1.6820585585920682
Energy: 1.6826708671995534
Energy: 1.6820585585908672
Energy: 1.9016507772966544
Energy: 1.8976682354495393
Energy: 1.8655877380582397
Energy: 1.8976682354507404
Energy: 1.8681601886192105
Energy: 1.813290954297423
Energy: 1.8611612878964265
Energy: 1.813290954297423
Energy: 1.8951458523616362
Energy: 1.8100319319272675
Energy: 1.8760373878292746
Energy: 1.8100319319272675
Energy: 1.865575280813041
Energy: 1.9995590934365943
Energy: 1.6727983553934949
Energy: 1.9995590934365943
Energy: 2.042375919851527
Energy: 1.8702691086561083
Energy: 1.8717723106309065
Energy: 1.8702691086561083

minimum gb energy = 1.6655769247465089 eV
minimum distance =  2.26459058234222 Angstroms
sigma value = 7


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

Energy: 2.688695312804884
Energy: 1.9201945306558177
Energy: 1.9187732008490366
Energy: 1.7256532804009947
Energy: 1.709790508433149
Energy: 1.8092160130376829
Energy: 1.8679054240697506
Energy: 1.8092160130402308
Energy: 1.7007818642846957
Energy: 1.7008432078222335
Energy: 1.8590962350481366
Energy: 1.7008432078307267
Energy: 1.7012187071297524
Energy: 1.6977973493182592
Energy: 2.0465258296275226
Energy: 1.697797349315711
Energy: 1.7182295605636786
Energy: 1.7136530421206055
Energy: 1.9999143470649001
Energy: 1.7136530421180576
Energy: 1.699995773036809
Energy: 1.7125783495299993
Energy: 1.9974076066348538
Energy: 1.7125783495333968
Energy: 1.8595333082937666
Energy: 1.7168276956347082
Energy: 1.7029602306495002
Energy: 1.7168276956296122
Energy: 1.8604819424004844
Energy: 1.7110656722370603
Energy: 1.7166964882779903
Energy: 1.7110656722404576
Energy: 1.8668322544544536
Energy: 1.6977812951802573
Energy: 1.697064639331902
Energy: 1.6977812951751614
Energy: 2.014819196696059
Energy: 1.7040007853247898
Energy: 1.7040616342507298
Energy: 1.7040007853247898
Energy: 1.869274948136827
Energy: 1.8689024829225565
Energy: 1.6965240068856857
Energy: 1.8689024829200083
Energy: 1.8793098781333575
Energy: 1.8793680068225989
Energy: 1.8573099497116132
Energy: 1.8793680068209002
Energy: 1.8624565102334834
Energy: 1.8098619553005972
Energy: 1.8767597822139193
Energy: 1.809861955303145
Energy: 1.8590453362184585
Energy: 1.8020892283063057
Energy: 1.7139793905696012
Energy: 1.8020892283012098
Energy: 1.8749210030848875
Energy: 1.8072083950365954
Energy: 1.718708892296401
Energy: 1.8072083950331979
Energy: 1.702453977736228
Energy: 1.8799747236882283
Energy: 1.8789821979619303
Energy: 1.8799747236856803
Energy: 1.703622951880484
Energy: 1.8673555055081568
Energy: 1.867200933421533
Energy: 1.8673555055165727
Energy: 1.705034843750188
Energy: 1.7043582925373155
Energy: 1.8575813121550193
Energy: 1.704358292525425
Energy: 1.6964641515924133
Energy: 1.6980755476674023
Energy: 1.8672602006461803
Energy: 1.6980755476640048
Energy: 1.7102945473198774
Energy: 1.7113167153891118
Energy: 1.709236952945917
Energy: 1.7113167153857145
Energy: 1.7073515179995455
Energy: 1.7156434415332504
Energy: 2.009143254036345
Energy: 1.715643441539196
Energy: 1.8608621452086276
Energy: 1.7131785546932459
Energy: 1.7010040653271208
Energy: 1.7131785546864513
Energy: 1.860935503574365
Energy: 1.713450566401025
Energy: 1.711961287845101
Energy: 1.713450566401025
Energy: 2.048567788657494
Energy: 1.6978807818022288
Energy: 1.6987587801051316
Energy: 1.6978807817962838
Energy: 2.015576706985684
Energy: 1.7007345653880874
Energy: 1.6998384285786627
Energy: 1.7007345653863888
Energy: 1.9993290346967454
Energy: 1.942184214331033
Energy: 1.7181675591404866
Energy: 1.9421842143301835
Energy: 1.9190686688338454
Energy: 1.9193731069682183
Energy: 2.3455357110934685
Energy: 1.919373106969917
Energy: 1.8684739450072434
Energy: 1.8663114217180274
Energy: 1.7166791103468688
Energy: 1.866311421718877
Energy: 1.86484398678684
Energy: 1.8034890359506957
Energy: 1.860151899746733
Energy: 1.803489035948997
Energy: 1.8762903991771507
Energy: 1.8668998779090897
Energy: 1.7139777691229185
Energy: 1.866899877909939
Energy: 1.706442941789837
Energy: 1.8732616321636975
Energy: 1.8733756394247434
Energy: 1.8732616321645466

minimum gb energy = 1.6964641515924133 eV
minimum distance =  2.24307537743883 Angstroms
sigma value = 29


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

Energy: 1.590540018858728
Energy: 1.76440220088536
Energy: 1.658055859625064
Energy: 1.5926095526804582
Energy: 1.6733404269914194
Energy: 1.7604579231056832
Energy: 1.6868418042258257
Energy: 1.7604579231059791
Energy: 1.6539453792414487
Energy: 1.7441225571159937
Energy: 1.5944930341887305
Energy: 1.7441225571154018
Energy: 1.6195729108788952
Energy: 1.6229129065870276
Energy: 1.6502290781029962
Energy: 1.6229129065861398
Energy: 1.6239010619772238
Energy: 1.642164897885364
Energy: 1.59780063869
Energy: 1.642164897885364
Energy: 1.6499758908547282
Energy: 1.7398701970378778
Energy: 1.6006084639927516
Energy: 1.7398701970257155
Energy: 1.5908292616467647
Energy: 1.7368993280847815
Energy: 1.6516164152262278
Energy: 1.7368993280847815
Energy: 1.688537063752982
Energy: 1.6420350567674937
Energy: 1.6157310229093027
Energy: 1.6420350567674937
Energy: 1.6005564920727775
Energy: 1.6286361054147345
Energy: 1.6396608706684346
Energy: 1.6286361054147345

minimum gb energy = 1.590540018858728 eV
minimum distance =  2.29141383091589 Angstroms
sigma value = 5


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

Energy: 2.1248381859581573
Energy: 1.6166400143248745
Energy: 1.8197016835947097
Energy: 1.5402213984383981
Energy: 1.8839455373493976
Energy: 1.5744955910115053
Energy: 1.852513693755619
Energy: 1.5744955910107032
Energy: 1.8520497339615427
Energy: 1.6978806709403145
Energy: 1.8486579598797903
Energy: 1.697880670939512
Energy: 1.6034142948073034
Energy: 1.7008556855287036
Energy: 1.8805643124871396
Energy: 1.7008556855311106
Energy: 1.6336068586362569
Energy: 1.6100360991162959
Energy: 1.876731380841412
Energy: 1.6100360991187028
Energy: 1.6120156897063587
Energy: 1.6092811069401718
Energy: 1.8759123883881152
Energy: 1.609281106937765
Energy: 1.5678126771650742
Energy: 1.566644600512945
Energy: 1.8898738137499438
Energy: 1.5666446005121428
Energy: 1.5830579575910668
Energy: 1.574466567651299
Energy: 2.0940642964119673
Energy: 1.574466567653706
Energy: 1.7044832578014248
Energy: 1.6267674038567772
Energy: 2.0817050622207782
Energy: 1.626767403859184
Energy: 1.860101055771356
Energy: 1.5362000853237219
Energy: 1.5590507555842574
Energy: 1.5362000853253266
Energy: 1.7038814010343648
Energy: 1.5335314489614218
Energy: 1.5328096686258115
Energy: 1.5335314489614218
Energy: 2.0775220324574275
Energy: 1.5390738509904585
Energy: 1.5314967671355721
Energy: 1.5390738509880515
Energy: 2.0853124986295892
Energy: 1.5325134447408724
Energy: 1.5541345679988494
Energy: 1.5325134447416746
Energy: 1.650962082769157
Energy: 1.6202496068104262
Energy: 1.8448587052701622
Energy: 1.620249606809624
Energy: 1.5713697876832853
Energy: 1.5680645059497778
Energy: 1.8482655639063006
Energy: 1.5680645059529867
Energy: 1.5744528036207297
Energy: 1.572225344013646
Energy: 1.8967253489137526
Energy: 1.5722253440152505
Energy: 1.6264634252773178
Energy: 1.616454176759382
Energy: 1.5994943924746858
Energy: 1.616454176759382
Energy: 1.8736360573722832
Energy: 1.5738386699495939
Energy: 1.5811199628510624
Energy: 1.5738386699487916
Energy: 1.8507062778212497
Energy: 1.7013016021619072
Energy: 1.875494136503333
Energy: 1.7013016021603025
Energy: 1.8890279484171273
Energy: 1.7061568670911167
Energy: 1.5993834419653923
Energy: 1.7061568670927214
Energy: 1.8759014584780656
Energy: 1.5811858550427538
Energy: 1.8788473393751033
Energy: 1.5811858550443585
Energy: 1.8777180390159929
Energy: 1.611221040855621
Energy: 1.6161529936063803
Energy: 1.6112210408548184
Energy: 1.883428102333072
Energy: 1.567067375151674
Energy: 1.5703993191220784
Energy: 1.567067375151674
Energy: 2.088327110036352
Energy: 1.5725968469908296
Energy: 1.5765402321751614
Energy: 1.5725968469908296
Energy: 2.0797753012915052
Energy: 1.628514846802256
Energy: 1.7034009339701097
Energy: 1.6285148467998491
Energy: 1.5639452533438187
Energy: 1.53817006346652
Energy: 1.8604084402965861
Energy: 1.5381700634673225
Energy: 1.5376480231216028
Energy: 1.5351632391189194
Energy: 1.630857712334465
Energy: 1.5351632391189194
Energy: 1.5572782519372739
Energy: 1.5362140271167632
Energy: 1.6771221386641566
Energy: 1.5362140271143563
Energy: 1.554725263763931
Energy: 1.533795042054966
Energy: 2.089609486771582
Energy: 1.533795042054966
Energy: 1.848337324144962
Energy: 1.6320328784431408
Energy: 1.6997860842069243
Energy: 1.6320328784415363
Energy: 1.8455769669488233
Energy: 1.5696358186275299
Energy: 1.5755077963212805
Energy: 1.569635818625123
Energy: 1.889618685110579
Energy: 1.570450219936888
Energy: 1.5699153952589038
Energy: 1.5704502199360857
Energy: 1.6723994808443687
Energy: 1.568649189399539
Energy: 1.6193469950826793
Energy: 1.5686491894003411

minimum gb energy = 1.5314967671355721 eV
minimum distance =  2.23977138116681 Angstroms
sigma value = 1


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

Energy: 2.2539485920917324
Energy: 1.5476517874260303
Energy: 1.5534221361084444
Energy: 1.4765188580159274
Energy: 1.5408236696267616
Energy: 1.5003466111592159
Energy: 1.892119833450547
Energy: 1.5003466111625436
Energy: 1.8634198606110581
Energy: 1.6618207045992401
Energy: 1.8654199655169803
Energy: 1.6618207046014588
Energy: 1.5298693858649142
Energy: 1.6626650164586694
Energy: 1.5809224355115088
Energy: 1.6626650164608876
Energy: 1.5782092926110873
Energy: 1.540240988917564
Energy: 1.8903370680222482
Energy: 1.5402409889153452
Energy: 1.5406744588359982
Energy: 1.5389616568476774
Energy: 1.8889107843578314
Energy: 1.5389616568487863
Energy: 1.4917130569959938
Energy: 1.4930713708686398
Energy: 1.898891757253666
Energy: 1.4930713708708587
Energy: 1.5015812680756098
Energy: 1.5029228145974838
Energy: 2.1644287510691993
Energy: 1.5029228145997022
Energy: 1.8930961398623067
Energy: 1.590162770547848
Energy: 2.1654292058769604
Energy: 1.5901627705456294
Energy: 1.8871188383503656
Energy: 1.5064103700545883
Energy: 1.5414243422763396
Energy: 1.5064103700568066
Energy: 1.896735459574022
Energy: 1.4936279352217503
Energy: 1.4923648196002761
Energy: 1.493627935220641
Energy: 2.1673039152019604
Energy: 1.4998884644201758
Energy: 1.5373795181623855
Energy: 1.4998884644212853
Energy: 2.1615471665881194
Energy: 1.4945975850024782
Energy: 1.576556347051496
Energy: 1.4945975849980917
Energy: 1.5789389446049484
Energy: 1.6610404891704087
Energy: 1.863592975147051
Energy: 1.6610404891692994
Energy: 1.5323052968179116
Energy: 1.6600085650875553
Energy: 1.8623392640831973
Energy: 1.6600085650853365
Energy: 1.5291643588648385
Energy: 1.4974851500473376
Energy: 1.5792862963084173
Energy: 1.497485150052884
Energy: 1.5766141602599018
Energy: 1.576838903833009
Energy: 1.8911237806854164
Energy: 1.576838903833009
Energy: 1.5351300917651558
Energy: 1.503563425579666
Energy: 1.9088351333392088
Energy: 1.5035634255829937
Energy: 1.492281245433163
Energy: 1.4964996190374524
Energy: 2.163877157160647
Energy: 1.4964996190330153
Energy: 1.5417155410805186
Energy: 1.4998131959510048
Energy: 2.164021520438118
Energy: 1.4998131959521144
Energy: 1.8574216076714567
Energy: 1.5928683851090661
Energy: 1.5400409744808319
Energy: 1.592868385107957
Energy: 1.8574010135904189
Energy: 1.4977911491702836
Energy: 1.5000255544673469
Energy: 1.4977911491747207
Energy: 1.5403873518614493
Energy: 1.4940670847739426
Energy: 1.494748577757373
Energy: 1.494067084768396
Energy: 2.1641714171258974
Energy: 1.494979219700995
Energy: 1.5433889206358289
Energy: 1.494979219694339

minimum gb energy = 1.4765188580159274 eV
minimum distance =  2.25064234213166 Angstroms
sigma value = 17


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

Energy: 2.38982530897224
Energy: 1.5149923685793818
Energy: 1.7754169666444612
Energy: 1.460221379409825
Energy: 1.5454440611168092
Energy: 1.4748552734145342
Energy: 1.74391116731609
Energy: 1.4748552734145342
Energy: 1.926356300863465
Energy: 1.7950831085658367
Energy: 1.712618699016762
Energy: 1.795083108567208
Energy: 1.926877078561435
Energy: 1.5545489277782103
Energy: 1.743043417444534
Energy: 1.554548927775468
Energy: 1.7174536484690062
Energy: 1.4464800979313142
Energy: 1.7253483426642873
Energy: 1.4464800979285715
Energy: 1.4710736712781596
Energy: 1.4655268263830714
Energy: 1.6952397890721087
Energy: 1.465526826383757
Energy: 1.4475227496221637
Energy: 1.4459694535026602
Energy: 1.590157584419604
Energy: 1.4459694535060885
Energy: 1.4595484792896578
Energy: 1.4508474070522481
Energy: 1.4595503465472863
Energy: 1.4508474070536197
Energy: 1.720724400053647
Energy: 1.451179391413932
Energy: 1.8967054401505004
Energy: 1.4511793914132463
Energy: 1.7103520419621887
Energy: 1.5549242816259077
Energy: 1.7367027850673484
Energy: 1.5549242817677722
Energy: 1.7175564092601785
Energy: 1.4694794096262325
Energy: 1.4881565901796756
Energy: 1.469479409648173
Energy: 1.7259202040613046
Energy: 1.4787071802767475
Energy: 1.7383439687329147
Energy: 1.478707180274005
Energy: 1.693103940334221
Energy: 1.5115187571666409
Energy: 1.5183192870680249
Energy: 1.5115187571659552
Energy: 1.50334245270208
Energy: 1.4693076730722348
Energy: 1.4726671839914318
Energy: 1.4693076730756631
Energy: 1.9204677748632815
Energy: 1.4737292948295413
Energy: 1.4770380959919822
Energy: 1.473729294827484
Energy: 1.4439646037586535
Energy: 1.4721851199220024
Energy: 1.5034032675486348
Energy: 1.47218511991926
Energy: 1.5238426125258584
Energy: 1.4809093625036953
Energy: 1.7132370312684828
Energy: 1.4809093625009528
Energy: 1.4755995083148417
Energy: 1.4712563514992987
Energy: 1.7225852767923011
Energy: 1.471256351498613
Energy: 1.5096930603507954
Energy: 1.475055487763832
Energy: 1.9123673069236105
Energy: 1.4750554877672604
Energy: 1.5165864180916477
Energy: 1.4797147933341228
Energy: 1.4584500836595768
Energy: 1.4797147933320658
Energy: 1.7189531824694622
Energy: 1.473200591752791
Energy: 1.5231898833506379
Energy: 1.4732005917493627
Energy: 1.7161110331818192
Energy: 1.7936144509295968
Energy: 1.9237757828052624
Energy: 1.7936144509309682
Energy: 1.747251002181201
Energy: 1.5504395390934698
Energy: 1.9267244917014632
Energy: 1.5504395390920986
Energy: 1.7249963484241633
Energy: 1.4488358796272733
Energy: 1.7188229720210628
Energy: 1.4488358796272733
Energy: 1.7270594704755131
Energy: 1.4520774997761354
Energy: 1.4662358014234462
Energy: 1.4520774997747643
Energy: 1.7375818158358298
Energy: 1.44779729852274
Energy: 1.4520602395215605
Energy: 1.4477972985275394
Energy: 1.4645004955252927
Energy: 1.4512288168214522
Energy: 1.4599693820780841
Energy: 1.4512288168221377
Energy: 1.7542396588788984
Energy: 1.4516983080718704
Energy: 1.7266875263429358
Energy: 1.4516983080691281
Energy: 1.7209226161299889
Energy: 1.803439809451552
Energy: 1.7088051833965778
Energy: 1.8034398094481239
Energy: 1.490162568020574
Energy: 1.469389392259895
Energy: 1.702942454048036
Energy: 1.46938939226538
Energy: 1.7382996881848631
Energy: 1.5073958683762083
Energy: 1.693549742057035
Energy: 1.507395868374837
Energy: 1.5140412796092357
Energy: 1.5074030989726066
Energy: 1.694312626148888
Energy: 1.5074030989726066
Energy: 1.4694510995836993
Energy: 1.4678029292017953
Energy: 1.5036620151184688
Energy: 1.4678029292017953
Energy: 1.4827671703189558
Energy: 1.4763952042790587
Energy: 1.92299274177769
Energy: 1.4763952042797444
Energy: 1.5229580759584558
Energy: 1.5286200818129012
Energy: 1.4465326743798619
Energy: 1.5286200818122153
Energy: 2.163463696081934
Energy: 1.4787226789787662
Energy: 1.51838989181555
Energy: 1.4787226789773948
Energy: 1.718764779896239
Energy: 1.4692248463701034
Energy: 1.4708096884934316
Energy: 1.4692248463694175
Energy: 1.8942029276094086
Energy: 1.4773138859260506
Energy: 1.528276104086926
Energy: 1.477313885919194

minimum gb energy = 1.4439646037586535 eV
minimum distance =  2.25060346972043 Angstroms
sigma value = 89


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

Energy: 2.8266457722649228
Energy: 1.4542476590980902
Energy: 1.4584981660996696
Energy: 1.4337185536188148
Energy: 1.6288683100643402
Energy: 1.5656122604413272
Energy: 1.521476246348307
Energy: 1.565612260443121
Energy: 1.629879597252013
Energy: 1.567095065627538
Energy: 1.5147111140321892
Energy: 1.567095065627538
Energy: 1.6249607183419286
Energy: 1.5669833762881378
Energy: 1.3649089992506918
Energy: 1.5669833762863439
Energy: 1.5937053320485082
Energy: 1.3278052398014406
Energy: 1.6865415206116001
Energy: 1.3278052397996467
Energy: 1.6209352565819513
Energy: 1.3495496213165248
Energy: 1.6865721581178303
Energy: 1.3495496213183187
Energy: 1.5911941007001162
Energy: 1.3275136078388785
Energy: 1.3312089634362356
Energy: 1.3275136078406724
Energy: 1.5931651323341844
Energy: 1.3294288500646012
Energy: 1.3337586066968512
Energy: 1.3294288500646012
Energy: 1.6292631794463406
Energy: 1.3296375384687975
Energy: 1.3303964193536055
Energy: 1.3296375384652093
Energy: 1.7693746267112438
Energy: 1.5109033099415048
Energy: 1.3300576063702327
Energy: 1.5109033099450926
Energy: 1.6271217212400206
Energy: 1.466565614259442
Energy: 1.622000989314403
Energy: 1.466565614259442
Energy: 1.6864730160690669
Energy: 1.4303641441085078
Energy: 1.3662990093126661
Energy: 1.4303641441067136
Energy: 1.6869241660583054
Energy: 1.4250105543677312
Energy: 1.4553211847620027
Energy: 1.425010554369525
Energy: 1.6306452501637505
Energy: 1.4203063374425804
Energy: 1.4200308129234105
Energy: 1.4203063374515097
Energy: 1.7312440153421693
Energy: 1.4535903299906432
Energy: 1.4545921376761495
Energy: 1.4535903299960253

minimum gb energy = 1.3275136078388785 eV
minimum distance =  2.25064250713328 Angstroms
sigma value = 13


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

Energy: 2.234709230120722
Energy: 1.29464433261619
Energy: 1.650887506410078
Energy: 1.2828470193736545
Energy: 1.5525764008464877
Energy: 1.2664357110196847
Energy: 1.518852478013716
Energy: 1.2664357110144215
Energy: 2.1198678622531437
Energy: 1.263724603657885
Energy: 1.513034119174297
Energy: 1.263724603660893
Energy: 1.7424207304809203
Energy: 1.2688204265573242
Energy: 1.543285262816453
Energy: 1.2688204265535645
Energy: 1.54535197652732
Energy: 1.266537053082737
Energy: 1.9388432563115476
Energy: 1.2665370530895042
Energy: 1.5156957406551173
Energy: 1.2670321568238796
Energy: 1.9378449383292808
Energy: 1.267032156826887
Energy: 1.5132856543269348
Energy: 1.2642675709574964
Energy: 1.557039262791182
Energy: 1.2642675709710312
Energy: 1.2868855818795222
Energy: 1.266442005435332
Energy: 1.951250123377839
Energy: 1.2664420054436034
Energy: 1.2741613220845003
Energy: 1.2682938581501866
Energy: 1.9558448486103261
Energy: 1.2682938581704886
Energy: 1.2680324926550108
Energy: 1.2634524420218152
Energy: 1.5702598741614604
Energy: 1.263452442039041
Energy: 1.2637984740519095
Energy: 1.274501061684705
Energy: 2.2363641414709794
Energy: 1.2745010616801935
Energy: 1.950044652777123
Energy: 1.2646855365217229
Energy: 1.5694080983397927
Energy: 1.2646855365157077
Energy: 1.9411112445706502
Energy: 1.3405237905654352
Energy: 1.9345008517922306
Energy: 1.3405237905609235
Energy: 1.8051712806244755
Energy: 1.3448990680122737
Energy: 1.7450455902521376
Energy: 1.3448990680100177
Energy: 1.9541987241655014
Energy: 1.2676534381961606
Energy: 1.5280674363777678
Energy: 1.267653438201424
Energy: 1.9562276376490757
Energy: 1.2654594045717071
Energy: 1.2710296301787969
Energy: 1.265459404579978
Energy: 1.5537207427565065
Energy: 1.2645334252227816
Energy: 1.2678006534882054
Energy: 1.2645334252272933
Energy: 2.118890622208827
Energy: 1.266384639434181
Energy: 1.2740551213428994
Energy: 1.2663846394386926
Energy: 1.7616928611606741
Energy: 1.2675977019372813
Energy: 1.5476130840918574
Energy: 1.2675977019357774
Energy: 1.9549831803569127
Energy: 1.2616731911239403
Energy: 1.508005879932341
Energy: 1.261673191116421
Energy: 1.7403733197150442
Energy: 1.272950402593697
Energy: 1.5591524987567569
Energy: 1.2729504025794107
Energy: 1.5692483204800631
Energy: 1.358046464478585
Energy: 1.9371266325718608
Energy: 1.358046464486856
Energy: 1.5298873117292933
Energy: 1.2664139899149276
Energy: 1.9394245603957752
Energy: 1.266413989911168
Energy: 1.270630440544265
Energy: 1.261612651562765
Energy: 1.5521075765292374
Energy: 1.2616126515642687
Energy: 1.5174537819197313
Energy: 1.292188855442613
Energy: 1.9531150074094434
Energy: 1.2921888554223115
Energy: 1.296655153195989
Energy: 1.2915438638596124
Energy: 1.9538201666391886
Energy: 1.291543863863372
Energy: 1.262675505226043
Energy: 1.2613218682038987
Energy: 1.56797182313656
Energy: 1.2613218681911165
Energy: 1.2636397597841447
Energy: 1.270265005189438
Energy: 2.119130117690321
Energy: 1.270265005178911
Energy: 1.9343133879902428
Energy: 1.267735878094118
Energy: 1.7633406590716252
Energy: 1.2677358780993815
Energy: 1.5057849274091937
Energy: 1.3459194613678966
Energy: 1.5536333586922104
Energy: 1.3459194613694003
Energy: 1.9398806378095426
Energy: 1.3538434811343394
Energy: 1.7423197933333356
Energy: 1.353843481129828
Energy: 1.9548302349519187
Energy: 1.267414836739606
Energy: 1.5533545809848022
Energy: 1.267414836751637
Energy: 1.9187609460282236
Energy: 1.2670486633047031
Energy: 1.276432949173207
Energy: 1.267048663294928
Energy: 1.8075662146375628
Energy: 1.261506045476896
Energy: 1.2626787205510277
Energy: 1.2615060454671212
Energy: 1.7651997817895504
Energy: 1.2652994573979406
Energy: 1.2700488091142799
Energy: 1.2652994573964367

minimum gb energy = 1.2613218681911165 eV
minimum distance =  2.25961725776871 Angstroms
sigma value = 37


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

Energy: 1.9614499646398915
Energy: 1.1560833835088402
Energy: 1.1565771296408913
Energy: 1.2177839454404427
Energy: 1.9230614868008398
Energy: 1.1516374326915777
Energy: 1.5384494301238893
Energy: 1.1516374326915777
Energy: 1.9002741553975149
Energy: 1.3025117393371917
Energy: 1.5506387657803855
Energy: 1.3025117393384853
Energy: 1.9348176155798316
Energy: 1.3050954070464713
Energy: 1.5425472320309181
Energy: 1.3050954070451777
Energy: 1.5423174423969612
Energy: 1.3038227068881694
Energy: 1.5400485460959503
Energy: 1.3038227068881694
Energy: 1.3880588917626577
Energy: 1.1535634443964027
Energy: 1.9220625259876933
Energy: 1.1535634443976963
Energy: 1.143400446507631
Energy: 1.14858260968835
Energy: 1.9189926361641727
Energy: 1.1485826096896141
Energy: 1.2004244990733317
Energy: 1.1510830806140682
Energy: 1.9278604238203947
Energy: 1.1510830806127745
Energy: 1.1526022358990444
Energy: 1.155634319180118
Energy: 1.9083133893379767
Energy: 1.155634319180118
Energy: 1.151597327136175
Energy: 1.1513895579712439
Energy: 1.792742336165354
Energy: 1.1513895579699502
Energy: 1.1565062947987377
Energy: 1.21778394544303
Energy: 1.9614499646385979
Energy: 1.1560833833924697
Energy: 1.538449430125183
Energy: 1.151637432690284
Energy: 2.054100641241398
Energy: 1.1516374326915777
Energy: 1.5506387657777985
Energy: 1.3025117393371917
Energy: 1.9002741553975149
Energy: 1.3025117393384853
Energy: 1.5425472320322118
Energy: 1.3050954070451777
Energy: 1.9348176155811252
Energy: 1.3050954070464713
Energy: 1.5400485460959503
Energy: 1.3038227068894632
Energy: 1.5423174423801729
Energy: 1.3038227068894632
Energy: 1.7930418491424829
Energy: 1.1535634443964027
Energy: 1.538357554789791
Energy: 1.1535634443964027
Energy: 1.9189926361641727
Energy: 1.1485826096870562
Energy: 1.1434004465063374
Energy: 1.14858260968835
Energy: 1.9278604238307442
Energy: 1.1510830806140682
Energy: 1.2004244990733317
Energy: 1.1510830806140682
Energy: 1.9083133893366828
Energy: 1.155634319180118
Energy: 1.1526022358964572
Energy: 1.155634319180118
Energy: 1.925142854649972
Energy: 1.1513895579712439
Energy: 1.1515973271374689
Energy: 1.1513895579699502

minimum gb energy = 1.1434004465063374 eV
minimum distance =  2.2708673675964 Angstroms
sigma value = 25


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

Energy: 2.297677025866002
Energy: 1.0281170186251718
Energy: 1.0324457829257219
Energy: 1.0827203169616406
Energy: 2.107360963603833
Energy: 1.0241492278227409
Energy: 1.3419135409030511
Energy: 1.024149227823751
Energy: 2.096833483819491
Energy: 1.0226778738312838
Energy: 1.338306353167428
Energy: 1.0226778738333042
Energy: 1.641413511105681
Energy: 1.0315931133032437
Energy: 1.336328850461916
Energy: 1.0315931133022336
Energy: 1.8856889067169635
Energy: 1.1407850651066975
Energy: 1.8784548270680816
Energy: 1.1407850651066975
Energy: 1.649018069367422
Energy: 1.1386985723613923
Energy: 1.8701758552307988
Energy: 1.1386985723624024
Energy: 1.6455488844818043
Energy: 1.14121590012221
Energy: 1.8696611033327541
Energy: 1.1412159001232203
Energy: 1.3381490530637248
Energy: 1.0321539570125444
Energy: 1.8731448656472698
Energy: 1.0321539570115341
Energy: 1.3392918935693416
Energy: 1.0224501720003742
Energy: 2.112688385564703
Energy: 1.0224501720013843
Energy: 1.3358009432610716
Energy: 1.0240824492283915
Energy: 2.1073372159673616
Energy: 1.0240824492283915
Energy: 1.02325864565837
Energy: 1.022535367817995
Energy: 1.968027216175881
Energy: 1.0225353678220355
Energy: 1.0288926832113041
Energy: 1.0236188930044519
Energy: 2.108160621928179
Energy: 1.0236188930024315
Energy: 1.024605038344811
Energy: 1.0272043067822219
Energy: 2.0941647215193933
Energy: 1.0272043067832324
Energy: 1.0715513043723701
Energy: 1.0344169927444036
Energy: 2.0913729631188596
Energy: 1.034416992745414
Energy: 1.33663009392495
Energy: 1.0221863804873468
Energy: 2.103464409080899
Energy: 1.0221863804873468
Energy: 1.3458685053554633
Energy: 1.0255531435815153
Energy: 2.102346307504719
Energy: 1.0255531435815153
Energy: 1.655556359558447
Energy: 1.027156094889072
Energy: 2.094019712849857
Energy: 1.0271560948880616
Energy: 1.3313640274034266
Energy: 1.1465866509507312
Energy: 1.876698064165827
Energy: 1.1465866509517415
Energy: 1.8693780144539915
Energy: 1.1402988656814512
Energy: 1.6459528959887326
Energy: 1.1402988656844821
Energy: 2.107074387267153
Energy: 1.1397693054094358
Energy: 1.647844504919175
Energy: 1.1397693054084257
Energy: 1.9694978913940355
Energy: 1.0365971565094616
Energy: 1.3371734028818976
Energy: 1.0365971565084515
Energy: 2.1070941974377484
Energy: 1.0214300370045526
Energy: 1.023734396875229
Energy: 1.021430037005563
Energy: 2.105269686208304
Energy: 1.0270790786457957
Energy: 1.3402490751096103
Energy: 1.0270790786457957
Energy: 1.8884676306555808
Energy: 1.022589598726699
Energy: 1.0237037499719162
Energy: 1.0225895987277094
Energy: 2.1030902873056116
Energy: 1.0233954967433778
Energy: 1.0231460138299868
Energy: 1.0233954967453982
Energy: 2.099960586661212
Energy: 1.0265009565840693
Energy: 1.0314749526190221
Energy: 1.0265009565840693

minimum gb energy = 1.0214300370045526 eV
minimum distance =  2.26902360356911 Angstroms
sigma value = 41


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

Energy: 2.5033145752261294
Energy: 0.9380971421860596
Energy: 0.9334655463044268
Energy: 0.9802982603159303
Energy: 2.215237011942349
Energy: 0.9308799149385959
Energy: 1.1939090694118462
Energy: 0.9308799149385959
Energy: 2.210410095895834
Energy: 0.9303847479312176
Energy: 1.190379811764469
Energy: 0.930384747928733
Energy: 1.869529761551978
Energy: 0.9374806564564093
Energy: 1.4700596726849975
Energy: 0.9374806564580657
Energy: 2.0390345506482257
Energy: 0.9267444365611711
Energy: 1.6556240369386324
Energy: 0.9267444365611711
Energy: 1.8417136343144755
Energy: 1.3393653105963952
Energy: 1.6466328836176145
Energy: 1.3393653105980514
Energy: 1.864353565919001
Energy: 1.027002846043866
Energy: 1.8563798670862561
Energy: 1.0270028460372405
Energy: 1.6481321839947487
Energy: 1.032095990883667
Energy: 1.6505972778799298
Energy: 1.0320959908844953
Energy: 1.4396911603971165
Energy: 1.3386267731150123
Energy: 2.0265935057575115
Energy: 1.3386267731150123
Energy: 1.4432721442159626
Energy: 0.9269538644752233
Energy: 2.213416138724583
Energy: 0.9269538644727388
Energy: 1.1873613296649952
Energy: 0.941228163888136
Energy: 2.021900446506543
Energy: 0.9412281638864797
Energy: 1.182577558106506
Energy: 0.9282549012405327
Energy: 2.2136622551606675
Energy: 0.9282549012413609
Energy: 1.1916856127317441
Energy: 0.9314274225629445
Energy: 2.2164121997215207
Energy: 0.9314274225637725
Energy: 0.9291203238324743
Energy: 0.9388388130223965
Energy: 2.0291074820268578
Energy: 0.9388388130223965
Energy: 0.9312573756466287
Energy: 0.9285228484722579
Energy: 2.2098555461854135
Energy: 0.928522848473086
Energy: 0.9370100619924546
Energy: 0.9317599700262942
Energy: 2.2118458483321017
Energy: 0.9317599700262942
Energy: 1.1936836836535096
Energy: 0.9345626414276793
Energy: 2.1999723858073903
Energy: 0.934562641426851
Energy: 1.1792935914797011
Energy: 1.1811106163601823
Energy: 2.2084304120471114
Energy: 1.1811106163593543
Energy: 1.2008964805764437
Energy: 0.9335908846256408
Energy: 1.859522110452358
Energy: 0.9335908846248127
Energy: 1.6436198462348703
Energy: 0.9312647108472872
Energy: 1.8558493767895268
Energy: 0.9312647108481155
Energy: 1.6479574536268422
Energy: 0.9308710471165361
Energy: 2.0263882465211585
Energy: 0.930871047115708
Energy: 1.6451906391375066
Energy: 0.9304811890611321
Energy: 1.8663073188108372
Energy: 0.9304811890569913
Energy: 2.0270569977969735
Energy: 1.0215230989162416
Energy: 1.839219511250726
Energy: 1.0215230989137571
Energy: 1.6506870082696938
Energy: 0.9300462812964947
Energy: 1.6531599576075977
Energy: 0.9300462812882131
Energy: 2.0265798694785326
Energy: 0.9277705172955698
Energy: 1.4286750594602318
Energy: 0.9277705172914288
Energy: 2.0269938220753287
Energy: 0.9310123296148375
Energy: 1.6420802284101994
Energy: 0.9310123296057276
Energy: 2.034707790170673
Energy: 0.9342499778682289
Energy: 1.1962955349394573
Energy: 0.9342499778674007
Energy: 2.206826029034756
Energy: 1.1876819942602603
Energy: 1.1793112281748344
Energy: 1.1876819942610881
Energy: 2.04080834597851
Energy: 0.9393579658890548
Energy: 1.1931695000706324
Energy: 0.939357965889883
Energy: 2.02577168019028
Energy: 0.9363082607921019
Energy: 0.9290926564809683
Energy: 0.9363082607929302
Energy: 2.2081748475352496
Energy: 0.9283006554768003
Energy: 0.9306752340684666
Energy: 0.9283006554743156
Energy: 2.200304575261775
Energy: 0.9383609724095897
Energy: 0.9292835278304382
Energy: 0.9383609724087616

minimum gb energy = 0.9267444365611711 eV
minimum distance =  2.26818221309016 Angstroms
sigma value = 15


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

Energy: 2.165728690522064
Energy: 0.8624593509590135
Energy: 1.3561708154984966
Energy: 0.9005872049468097
Energy: 2.2860907020870225
Energy: 0.8578473033092398
Energy: 1.0780898509342345
Energy: 0.8578473033085381
Energy: 2.2828165199595807
Energy: 0.8564536960112001
Energy: 1.0760559854532439
Energy: 0.8564536960119019
Energy: 1.9856252491567155
Energy: 0.8631839657377074
Energy: 1.4834673053065917
Energy: 0.8631839657370057
Energy: 2.1342706043408524
Energy: 0.8539726576161132
Energy: 1.4720875966973266
Energy: 0.8539726576175163
Energy: 1.9718177685323304
Energy: 0.8532985176437939
Energy: 1.4699495144186963
Energy: 0.8532985176458986
Energy: 1.6551393751746648
Energy: 0.8550704365280497
Energy: 1.8117522138007034
Energy: 0.8550704365259449
Energy: 1.8218127342818433
Energy: 0.9416715066781199
Energy: 1.4709041012637032
Energy: 0.9416715066837328
Energy: 1.653605877629007
Energy: 0.9330934515286538
Energy: 1.805362634427212
Energy: 0.933093451536371
Energy: 1.6534578893574423
Energy: 0.9344131224304758
Energy: 2.1216818572504006
Energy: 0.9344131224585392
Energy: 1.4880632333140094
Energy: 0.8589620880458562
Energy: 1.8277433649124557
Energy: 0.8589620880451546
Energy: 1.2819388621020493
Energy: 0.8522015286766088
Energy: 2.123035408821609
Energy: 0.8522015290819325
Energy: 1.4718852762680534
Energy: 0.8560154525661072
Energy: 2.1251876942781744
Energy: 0.8560154525675104
Energy: 1.0930308081794327
Energy: 0.8628161281741846
Energy: 1.8286085100953755
Energy: 0.8628161281713783
Energy: 1.0672500767972664
Energy: 0.8534730916553879
Energy: 2.2759056082147913
Energy: 0.8534730916539847
Energy: 1.0854195982151884
Energy: 0.8604168149620448
Energy: 2.1299994305705465
Energy: 0.860416814958537
Energy: 0.8546052020443633
Energy: 0.864916352973776
Energy: 2.135276454134363
Energy: 0.864916352973776
Energy: 0.8546265511296411
Energy: 0.8535258154639341
Energy: 2.2752707668994017
Energy: 0.8535258154625309
Energy: 0.8702290507901828
Energy: 0.8599672929553641
Energy: 1.988400154457419
Energy: 0.8599672929560657
Energy: 1.082075004375829
Energy: 0.8590221693126825
Energy: 2.286490294766493
Energy: 0.8590221693126825
Energy: 1.0627825033603637
Energy: 0.8535690470112798
Energy: 2.2766827196180333
Energy: 0.8535690470147876
Energy: 1.0943639782703103
Energy: 0.8614787030897226
Energy: 1.9828305458916256
Energy: 0.8614787030904243
Energy: 1.4665115655004872
Energy: 0.8569011597559034
Energy: 1.9677477679861497
Energy: 0.8569011597594114
Energy: 1.4725602493807095
Energy: 0.8528532251842744
Energy: 2.1246991450104873
Energy: 0.852853225184976
Energy: 1.4814284060395677
Energy: 0.8577889202427003
Energy: 1.6642202303698799
Energy: 0.8577889202419986
Energy: 1.8081726494142596
Energy: 0.9334794044052095
Energy: 2.124674062894485
Energy: 0.9334794044101206
Energy: 1.4707714257120028
Energy: 0.933366290073869
Energy: 1.807657492478113
Energy: 0.9333662900829895
Energy: 1.8218613557622692
Energy: 0.9414068803432828
Energy: 1.6630038200068817
Energy: 0.9414068803397749
Energy: 1.8169504825769276
Energy: 0.8552371667634593
Energy: 1.8115988873042717
Energy: 0.8552371667192594
Energy: 1.8127136810813618
Energy: 0.8537614151899529
Energy: 1.4729893957893245
Energy: 0.8537614152340888
Energy: 2.1328727091792263
Energy: 0.8541034215151068
Energy: 1.2822265591148303
Energy: 0.8541034215094941
Energy: 1.8265205508609035
Energy: 0.8625475731720796
Energy: 1.480413693599347
Energy: 0.8625475731678701
Energy: 2.126046735900082
Energy: 0.8571663175053938
Energy: 1.0757869132792628
Energy: 0.8571663175039907
Energy: 2.2819890288440203
Energy: 0.8564691819367172
Energy: 1.0727381648094223
Energy: 0.8564691819360154
Energy: 2.119228897655631
Energy: 0.8725440309574528
Energy: 0.891871776833938
Energy: 0.8725440309539448
Energy: 2.2804067252517384
Energy: 0.8569538719367283
Energy: 0.8611578234141636
Energy: 0.85695387193743
Energy: 2.277713334912608
Energy: 0.8581640113044124
Energy: 0.8638233650563901
Energy: 0.8581640113030093

minimum gb energy = 0.8522015286766088 eV
minimum distance =  2.26953074777571 Angstroms
sigma value = 85


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

Energy: 2.4063016879898123
Energy: 0.7717830674839977
Energy: 0.7715603888821072
Energy: 0.848938117984965
Energy: 2.3055308587604877
Energy: 0.7747122982583052
Energy: 0.9561476938937239
Energy: 0.7747122982576967
Energy: 2.1087844117630903
Energy: 0.7738357262474139
Energy: 0.9666301147162041
Energy: 0.7738357262474139
Energy: 1.8354261186051883
Energy: 0.7715937501317679
Energy: 1.313248037466763
Energy: 0.771593750129334
Energy: 2.1844455735566615
Energy: 0.7713888270365229
Energy: 1.3148224771528405
Energy: 0.7713888270395654
Energy: 1.8299870150207358
Energy: 0.7724673589904983
Energy: 1.3133381609360386
Energy: 0.7724673589911069
Energy: 1.8293948278946623
Energy: 0.7733609640596241
Energy: 1.61728925312524
Energy: 0.7733609640602326
Energy: 1.903913564167641
Energy: 0.7720464037586369
Energy: 1.3965317995876465
Energy: 0.7720464037592453
Energy: 1.8299113025868474
Energy: 0.7727316561098169
Energy: 1.6195337813180948
Energy: 0.7727316560818267
Energy: 1.8353201817380345
Energy: 0.916770540907939
Energy: 1.9010955952609911
Energy: 0.916770540875717
Energy: 1.6171839520945266
Energy: 0.7725067347909509
Energy: 1.6863020526601504
Energy: 0.7725067340318942
Energy: 1.5540968421459147
Energy: 0.7712087164352857
Energy: 1.901615429235055
Energy: 0.7712087164693608
Energy: 1.6160915077431475
Energy: 0.7713307427909492
Energy: 1.970689759988176
Energy: 0.7713307427970063
Energy: 1.3094122010637443
Energy: 0.7736778331698884
Energy: 1.6925608726330297
Energy: 0.7736778331741478
Energy: 1.2258979821603624
Energy: 0.7708356150358053
Energy: 2.1729728040807563
Energy: 0.7708356150382393
Energy: 1.3103952815687463
Energy: 0.7746522560555741
Energy: 1.97310324447071
Energy: 0.7746522560537487
Energy: 0.9554306853829805
Energy: 0.7720433815008207
Energy: 1.9692471659282678
Energy: 0.7720433815020099
Energy: 0.9531821469454652
Energy: 0.7719228543652515
Energy: 2.241831789971596
Energy: 0.7719228543652515
Energy: 0.9549993764036196
Energy: 0.770869153099437
Energy: 2.2351138962005583
Energy: 0.7708691531000454
Energy: 0.8615492339332332
Energy: 0.7706876839903111
Energy: 2.235399972345463
Energy: 0.7706876839854431
Energy: 0.861660168419867
Energy: 0.7675267244296079
Energy: 2.306235631145091
Energy: 0.7675267244272016
Energy: 0.8658403443336845
Energy: 0.7672101544166028
Energy: 2.0372690535542417
Energy: 0.7672101544178197
Energy: 1.0487391284193683
Energy: 0.772581565675742
Energy: 2.300362674407396
Energy: 0.7725815656763505
Energy: 1.0497258372317957
Energy: 0.7709461142898001
Energy: 2.306694767956702
Energy: 0.7709461142904086
Energy: 1.056317851061708
Energy: 0.7704769463901786
Energy: 1.8262821209429931
Energy: 0.7704769463883532
Energy: 1.3103300082954747
Energy: 0.7713252282974582
Energy: 2.3105942724637365
Energy: 0.7713252282980666
Energy: 1.3073501778035226
Energy: 0.7704941847316255
Energy: 2.1083047786371787
Energy: 0.7704941847328425
Energy: 1.4727807361909242
Energy: 0.7744384372038484
Energy: 1.828987824409257
Energy: 0.7744384372123672
Energy: 1.620060181795533
Energy: 0.770626111357575
Energy: 2.109910984380924
Energy: 0.7706261113849291
Energy: 1.61693204284532
Energy: 0.7705120242612232
Energy: 1.8301530737394003
Energy: 0.7705120242618317
Energy: 1.9064870624085157
Energy: 0.9154769773090982
Energy: 1.5510613150808081
Energy: 0.9154769773182255
Energy: 1.6907162721531435
Energy: 1.0560992984324533
Energy: 1.848587526754119
Energy: 1.0560992984348871
Energy: 1.903961876359963
Energy: 1.0610240169187053
Energy: 1.5487292903375292
Energy: 1.0610240169187053
Energy: 2.052090846328825
Energy: 0.772959658008178
Energy: 1.5497639155146175
Energy: 0.7729596580063525
Energy: 1.6890641444957173
Energy: 0.7754931539246811
Energy: 1.313398016967443
Energy: 0.7754931539204217
Energy: 2.1788580366048285
Energy: 0.7714384111027195
Energy: 1.3149063174680935
Energy: 0.7714384111051535
Energy: 2.237159168209141
Energy: 0.7729993221082514
Energy: 1.316744077591538
Energy: 0.7729993221094683
Energy: 1.968093835363208
Energy: 0.7716380856163503
Energy: 0.9649666703466121
Energy: 0.7716380856200012
Energy: 2.3114768155564023
Energy: 0.7715649523900806
Energy: 0.9584083254552807
Energy: 0.771564952387038
Energy: 2.2351251556234777
Energy: 0.7716563628418425
Energy: 0.9650803758992247
Energy: 0.7716563628448847
Energy: 1.9684654082945756
Energy: 0.7719863895623397
Energy: 0.7721501647739186
Energy: 0.7719863895599057
Energy: 2.3086508814586617
Energy: 0.7717430068586358
Energy: 0.7723918006078992
Energy: 0.7717430068555935
Energy: 2.103784905724654
Energy: 0.774620174127941
Energy: 0.7745141789234814
Energy: 0.774620174127941

minimum gb energy = 0.7672101544166028 eV
minimum distance =  2.26577869754172 Angstroms
sigma value = 113


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

Energy: 0.020482209252079636
Energy: 0.7326815345747677
Energy: 1.7648212953484297
Energy: 0.0208400421929768
Energy: 1.6825000489233763
Energy: 0.17911472872884443
Energy: 1.2039745952292147
Energy: 0.1791147287301958
Energy: 0.021236712863376882
Energy: 0.17613650345351978
Energy: 1.2016365771334976
Energy: 0.17613650345351978
Energy: 0.022896106322046066
Energy: 0.17991142332740825
Energy: 1.2149574604415152
Energy: 0.1799114233265247
Energy: 1.2214244008195403
Energy: 0.1790014035744458
Energy: 1.209125764298411
Energy: 0.1790014035744458
Energy: 0.021054453961027723
Energy: 0.1764938727915637
Energy: 1.201400563790708
Energy: 0.1764938727910959

minimum gb energy = 0.020482209252079636 eV
minimum distance =  2.45364198481085 Angstroms
sigma value = 1