Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583648324012783
cohesive_energy=4.002359338938538
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015087045604929945
Energy: 0.01596327546791184
Energy: 0.9622123823699993
Energy: 0.01596327546791184
Energy: 0.015963275468524277
Energy: 1.070411252224126
Energy: 0.01596327546791184
Energy: 1.070411252224126
Energy: 0.9622123823688085
Energy: 0.01596327546791184
Energy: 0.015087045604929945
Energy: 0.015963275469136715
Energy: 0.015963275468524277
Energy: 1.070411252224126
Energy: 0.015963275468524277
Energy: 1.070411252224126

minimum gb energy = 0.015087045604929945 eV
minimum distance =  2.49992246047632 Angstroms
sigma value = 1


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

Energy: -2.686267030723427
Energy: 0.6859204914817242
Energy: -1.1131468884793232
Energy: 0.6859204914832097
Energy: -2.413809063012811
Energy: -2.31310205560004
Energy: -2.6795209833100144
Energy: -2.113742535463275
Energy: -1.9454058739290059
Energy: 0.655201286941878
Energy: -2.2380945681321824
Energy: 0.6552012869403925
Energy: -2.16745662630861
Energy: 0.6167563783228497
Energy: -2.47485949897357
Energy: 0.6167563783235923
Energy: -2.2190533638807723
Energy: 0.6772180101348914
Energy: -1.8904886731967672
Energy: 0.6772180101348914
Energy: -2.4563803207501382
Energy: 0.8469249882436548
Energy: -2.135435401299146
Energy: 0.84692498823697
Energy: -2.655538333128106
Energy: 0.6460419955564707
Energy: -2.3974917618042384
Energy: 0.6460419955297316
Energy: -2.1748164981384805
Energy: 0.675298368286441
Energy: -1.7265516092128461
Energy: 0.6752983682849554
Energy: -2.3526212457096802
Energy: -2.596041330559607
Energy: -2.448672602061028
Energy: -2.5958018537248013
Energy: -2.079059966059941
Energy: 0.668432877703213
Energy: -1.7532654981775757
Energy: 0.6684328777039558
Energy: -2.5353637039310617
Energy: -2.1899552633398516
Energy: -2.5406477784987422
Energy: -2.44792184908303
Energy: -2.2188826511619957
Energy: 0.6852104550885726
Energy: -2.5488308300179825
Energy: 0.6852104550878299
Energy: -2.4721294743344133
Energy: 0.6554971207747097
Energy: -2.5795982046065906
Energy: 0.6554971207754524
Energy: -2.5237073455212733
Energy: 0.6634422086326209
Energy: -2.0272634998136616
Energy: 0.6634422086326209
Energy: -2.046978867733618
Energy: 0.6772678336326824
Energy: -2.362514193076453
Energy: 0.6772678336326824
Energy: -2.151005041403417
Energy: 0.6815014949142026
Energy: -2.323690175624002
Energy: 0.6815014949149453
Energy: -2.24696158822089
Energy: 0.6542578967901388
Energy: -2.1522455331488484
Energy: 0.6542578967908814
Energy: -2.4808258151247116
Energy: -1.9733877590518416
Energy: -2.6260367169271492
Energy: -1.8177837839078679
Energy: -1.870400648007006
Energy: 0.6867497540161837
Energy: -2.443171647826734
Energy: 0.6867497540146982
Energy: -2.472313949855314
Energy: -2.5328600796838443
Energy: -2.403224405317085
Energy: -2.2233665874248674
Energy: -2.039970083457454
Energy: 0.6541467793605816
Energy: -1.763987281237419
Energy: 0.6541467793598388
Energy: -2.4295994602148765
Energy: -2.6135897640117207
Energy: -2.1936524048075707
Energy: -2.434018819535282
Energy: -2.0971034484243214
Energy: 0.6764688040437881
Energy: -2.2611077744124555
Energy: 0.6764688040430453
Energy: -2.079120067550427
Energy: 0.6553333157547827
Energy: -2.5617100151993206
Energy: 0.6553333157540399
Energy: -2.3080442355530613
Energy: 0.8492297235171028
Energy: -2.647790576991569
Energy: 0.8492297235200738
Energy: -2.1322551547891644
Energy: 0.6752675846548789
Energy: -2.2460776201507757
Energy: 0.6752675846556218
Energy: -2.356008876965955
Energy: 0.8323349557814025
Energy: -2.3037036515159164
Energy: 0.8323349557806597
Energy: -1.9515697305110795
Energy: 0.6665625551176199
Energy: -2.532090999610642
Energy: 0.6665625551183626
Energy: -2.6891966190804655
Energy: -2.2445215808643435
Energy: -2.0261912769267476
Energy: -2.1036350509289625
Energy: -2.787456208883618
Energy: 0.6863495842547971
Energy: -2.2203828405478316
Energy: 0.68634958425554
Energy: -2.7031717377139812
Energy: 0.6699857718711419
Energy: -2.6908640421020595
Energy: 0.6699857718741131
Energy: -2.064677453376113
Energy: 0.6585951193397007
Energy: -2.384529804559454
Energy: 0.6585951193411863
Energy: -2.1388991809587443
Energy: 0.6878164487803184
Energy: -2.3113596351754673
Energy: 0.6878164487803184

minimum gb energy = -2.787456208883618 eV
minimum distance =  2.23908089616651 Angstroms
sigma value = 1


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

Energy: -1.9391650445168687
Energy: 0.7597423896141079
Energy: -1.4147055811015787
Energy: 0.7597423896115674
Energy: -1.6905635605297575
Energy: 0.6653371194447382
Energy: -1.6239597796364962
Energy: 0.6653371194438913
Energy: -1.5998708797394214
Energy: 0.7618166865515406
Energy: -1.7406784627320093
Energy: 0.7618166865523875
Energy: -1.5863714558816755
Energy: 0.7454195435265232
Energy: -1.75858486172618
Energy: 0.7454195435256763
Energy: -1.8278111100862537
Energy: 0.7332105745729913
Energy: -1.3202179906362672
Energy: 0.7332105745729913
Energy: -2.0079069976471793
Energy: 0.7332563982239615
Energy: -1.4403843349669732
Energy: 0.7332563982146459
Energy: -1.6437010645898595
Energy: -1.871167283648424
Energy: -1.8603199869565006
Energy: -1.671075931337063
Energy: 0.22693606646017406
Energy: 0.7617842836468969
Energy: -1.4128079072891102
Energy: 0.761784283645203
Energy: -1.5608172327893228
Energy: 0.8344717934596717
Energy: -1.904920206593726
Energy: 0.8344717934816517
Energy: -1.7153412718000793
Energy: 0.762326840820744
Energy: -1.2473752548882893
Energy: 0.7623268408249784
Energy: -1.8410785141491288
Energy: 0.6616313647596545
Energy: -1.930303193574117
Energy: 0.6616313647664294
Energy: -1.46878068738047
Energy: 0.7472943219432433
Energy: -1.6440219710779227
Energy: 0.7472943219449371
Energy: -2.0432083660263562
Energy: 0.7363679462298981
Energy: -1.408897066155375
Energy: 0.7363679462332854
Energy: -2.1276764124986087
Energy: 0.735946385144691
Energy: -1.4827614387172514
Energy: 0.7359463851472317
Energy: -1.4346410704355068
Energy: 0.7475578975173691
Energy: -1.7033892043277101
Energy: 0.7475578975216034
Energy: -1.8444199864206499
Energy: 0.6651198029248998
Energy: -1.94712847893556
Energy: 0.6651198029248998
Energy: -1.638594274955563
Energy: 0.7614464147903801
Energy: -1.2937442922954474
Energy: 0.7614464147903801
Energy: -1.714882937565753
Energy: -1.7884664094304754
Energy: -1.8359376762105415
Energy: -1.7749157141999126
Energy: 0.22803721864660942
Energy: 0.7614306001187647
Energy: -1.2806722901664906
Energy: 0.7614306001246928
Energy: -1.6003911802568052
Energy: -1.8582832934833073
Energy: -1.7616509463588654
Energy: -1.808238650801694
Energy: -1.9029867172315398
Energy: 0.7330177444788871
Energy: -1.2789156004629008
Energy: 0.7330177444805809
Energy: -1.689351518361989
Energy: 0.7334769790442833
Energy: -1.690222424973776
Energy: 0.7334769790417427
Energy: -1.7576829942794334
Energy: 0.7430533443989552
Energy: -1.7621945334351439
Energy: 0.7430533443964147
Energy: -1.5984772021568368
Energy: 0.7615582321126393
Energy: -1.826454741414371
Energy: 0.7615582321067111
Energy: -1.7938571729921533
Energy: 0.6737439991348078
Energy: -1.8284077195565773
Energy: 0.6737439991381952
Energy: -1.761711135572455
Energy: 0.7597423896132609
Energy: -1.6371856047965236
Energy: 0.7597423896124141
Energy: -1.6767038962709555
Energy: 0.6653371194430444
Energy: -1.7258737158782889
Energy: 0.665337119445585
Energy: -1.4272574451282043
Energy: 0.7618166865523875
Energy: -1.5301924464328573
Energy: 0.7618166865515406
Energy: -1.8529962126738195
Energy: 0.74541954352737
Energy: -1.482919521940216
Energy: 0.7454195435256763

minimum gb energy = -2.1276764124986087 eV
minimum distance =  2.23479924418273 Angstroms
sigma value = 25


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

Energy: -1.3422914670697434
Energy: 0.8192929754979951
Energy: -1.1719584489908286
Energy: 0.8192929754989795
Energy: -1.2698345313227866
Energy: 0.6434710636410547
Energy: -1.397381916258498
Energy: 0.6434710636518838
Energy: -0.8734460446282913
Energy: 0.8610576929932884
Energy: -1.016673939245099
Energy: 0.8610576929932884
Energy: -0.785261989046829
Energy: 0.8501150354620128
Energy: -1.1094870519809434
Energy: 0.8501150354620128
Energy: -1.2873822846606284
Energy: 0.8326204817479094
Energy: -0.9283951118579619
Energy: 0.8326204817469248
Energy: -1.416897039124435
Energy: 0.8629479677433319
Energy: -1.208187941552007
Energy: 0.8629479677433319
Energy: -1.5704116152737195
Energy: -1.050932614793601
Energy: -1.4222184852403519
Energy: -1.0352810622337196
Energy: -1.3740934408057077
Energy: 0.8208133420554803
Energy: -1.077105811058772
Energy: 0.8208133420554803
Energy: -1.4944937451784845
Energy: 0.7412414448677535
Energy: -1.3171738238337607
Energy: 0.7412414448677535
Energy: -1.0468344615115184
Energy: 0.863276962634813
Energy: -0.9977964535745315
Energy: 0.863276962634813
Energy: -1.0657591036485448
Energy: 0.8388513926548012
Energy: -1.1764046374958292
Energy: 0.8388513926557857
Energy: -1.1339973510741368
Energy: 0.8280338018669823
Energy: -1.1654294788176436
Energy: 0.8280338018679667
Energy: -1.0260145883740772
Energy: 0.8413220184810294
Energy: -0.9617629665938623
Energy: 0.8413220184820138
Energy: -1.532686865487754
Energy: -1.1285817025078404
Energy: -1.162137715243529
Energy: -1.197190356651609
Energy: -0.8232672463792513
Energy: 0.8262493502956214
Energy: -1.19295160047214
Energy: 0.8262493502956214
Energy: -1.5488718770258327
Energy: -1.533115693092798
Energy: -1.1506201816776709
Energy: -1.3887332155719043
Energy: 0.3565657074297773
Energy: 0.8611039530007347
Energy: 0.3479131061707282
Energy: 0.861103953001719
Energy: -1.022236043236756
Energy: 0.7019945380078293
Energy: -0.9705775339347065
Energy: 0.7019945380422855
Energy: -0.7794614621806942
Energy: 0.8393827273790953
Energy: -1.0953829143473464
Energy: 0.8393827273790953
Energy: -1.1996940883990423
Energy: 0.8630434129654132
Energy: -1.0661121477456632
Energy: 0.8630434129663976
Energy: -1.3416240587190036
Energy: 0.8168313371441197
Energy: -1.5060413623349354
Energy: 0.8168313371460887
Energy: -1.295211759442249
Energy: 0.8194833266802775
Energy: -1.2455416633330183
Energy: 0.8194833266802775
Energy: -1.1491551602851788
Energy: 0.8195168051981633
Energy: -1.3510499973233467
Energy: 0.8195168051981633
Energy: -0.857601736529621
Energy: 0.8607643416759077
Energy: -1.0118314273478948
Energy: 0.8607643416759077
Energy: -1.3107895139172943
Energy: -1.04105187235923
Energy: -1.0508817225690512
Energy: -1.1895722020880513

minimum gb energy = -1.5704116152737195 eV
minimum distance =  2.18304316424798 Angstroms
sigma value = 9


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

Energy: -0.5990174673362978
Energy: 0.9698732823049011
Energy: -1.6234358905988524
Energy: 0.9698732823060755
Energy: -0.8912514837403954
Energy: 0.7167807095694746
Energy: -0.5482513695948283
Energy: 0.7167807217577793
Energy: -0.4380194897000835
Energy: 0.9635929531992808
Energy: 0.5843267698539516
Energy: 0.9635929531981066
Energy: -0.6041358822757106
Energy: 0.9823048957903633
Energy: -0.624188289077099
Energy: 0.9823048957915378
Energy: -0.769644915698981
Energy: 0.7702739537084757
Energy: 0.6241828223816813
Energy: 0.770273953971433
Energy: 0.5125374969052194
Energy: 0.9551037431115376
Energy: -0.512566984114378
Energy: 0.9551037431091888
Energy: -1.057516801226801
Energy: 0.5468524671831232
Energy: -0.4932147400342858
Energy: 0.5468524674425573
Energy: -0.5925076766467525
Energy: 0.9544942915405163
Energy: -0.5014229755030426
Energy: 0.9544942915416909
Energy: -0.9223348381068657
Energy: 0.7719124241969295
Energy: -0.5224066803787657
Energy: 0.7719124262371172
Energy: -0.6391962813764324
Energy: 0.9699587047842645
Energy: -0.5021568859904852
Energy: 0.9699587047830901
Energy: -0.33005750321516086
Energy: 0.93183921803215
Energy: -0.38818962404146
Energy: 0.9318392180309755
Energy: -0.9880004235985356
Energy: -0.6901510168148371
Energy: -0.533637092554312
Energy: -0.5875146873601685
Energy: 0.5160898273570013
Energy: 0.9477687140605782
Energy: 0.4881131877717945
Energy: 0.9477687140605782
Energy: -0.8651589496570586
Energy: 0.7612145596420439
Energy: -0.6575293234076419
Energy: 0.7612145596596598
Energy: 0.5089959516162804
Energy: 0.9554522770012371
Energy: 0.45028077338510814
Energy: 0.9554522770024116
Energy: -0.8738627344501455
Energy: 0.8912656868159525
Energy: -0.33298401059364774
Energy: 0.8912656868042086
Energy: -0.7900369296422863
Energy: 0.9273267545119299
Energy: 0.5890155510221243
Energy: 0.9273267545119299
Energy: -0.7968368644747617
Energy: 0.9667642652222533
Energy: -0.5309575850130995
Energy: 0.9667642652210789
Energy: -0.7065511970694838
Energy: 0.6611190881293385
Energy: -0.47626911897387086
Energy: 0.6611190894428971
Energy: -0.3498946264195695
Energy: 0.9515033921395254
Energy: -0.6634172428599349
Energy: 0.9515033921406997
Energy: -1.0255261732815166
Energy: 0.723306832534698
Energy: -0.47415357418713927
Energy: 0.7233068321848889

minimum gb energy = -1.6234358905988524 eV
minimum distance =  2.26796408803171 Angstroms
sigma value = 25


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

Energy: 0.7757853444832741
Energy: 1.0278750780724513
Energy: 0.5759550609828331
Energy: 1.0278750780739037
Energy: 0.7405578863517182
Energy: 0.9058958341948208
Energy: 0.7060422612657276
Energy: 0.9058958341948208
Energy: 0.594218919784429
Energy: 1.099452338113412
Energy: 0.7141228081507226
Energy: 1.0994523381148644
Energy: 0.7680891816117671
Energy: 1.0198301915639911
Energy: 0.5848396211816159
Energy: 1.0198301915639911
Energy: 0.5788089228840443
Energy: 0.7416765710246084
Energy: 0.7136515331469477
Energy: 0.7416765710260607
Energy: 0.7113469175495907
Energy: 1.090619559251769
Energy: 0.7182843810919222
Energy: 1.090619559251769
Energy: 0.7135061432258122
Energy: 0.8759406100230132
Energy: 0.7134707253285598
Energy: 0.8759406100201085
Energy: 0.5908417186450979
Energy: 1.0283571247898005
Energy: 0.7775140259716753
Energy: 1.0283571247883485
Energy: 0.7136065608685929
Energy: 0.904767379114718
Energy: 0.7411946237602417
Energy: 0.904767379114718
Energy: 0.6723663340551007
Energy: 0.9367246300436315
Energy: 0.7130121772219353
Energy: 0.936724630042179
Energy: 0.5640363884720833
Energy: 1.027710724861556
Energy: -0.4719768022460539
Energy: 1.027710724861556
Energy: 0.7086010446306488
Energy: 0.8360676449272135
Energy: 0.58720832563068
Energy: 0.8360676449184993
Energy: 0.6297331003745972
Energy: 1.0838525209347363
Energy: 0.7109607205774844
Energy: 1.0838525209347363
Energy: 0.7131829753562923
Energy: 0.8821976610453455
Energy: 0.8123533163542026
Energy: 0.8821976610467978
Energy: 0.7165224491879326
Energy: 1.0267632016812318
Energy: 0.5822105884212327
Energy: 1.0267632016812318
Energy: 0.7440483763377705
Energy: 0.9370102871730057
Energy: 0.7123400950073695
Energy: 0.9370102871715533
Energy: 0.713742987428466
Energy: 0.7540107197520588
Energy: 0.6579364232784902
Energy: 0.7540107197520588

minimum gb energy = -0.4719768022460539 eV
minimum distance =  2.340593649894 Angstroms
sigma value = 17


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

Energy: 0.8385527107732074
Energy: 1.0336237463243563
Energy: -0.7224525923626919
Energy: 1.0336237463251787
Energy: 0.7323189252523278
Energy: 0.7284487095424574
Energy: 0.7226279661149481
Energy: 0.7284487095441027
Energy: 0.6759525736963776
Energy: 1.054696316458098
Energy: 0.7222268614364475
Energy: 1.0546963164556304
Energy: 0.7203137632816922
Energy: 1.0089430089391336
Energy: 0.6765316940849314
Energy: 1.008943008881555
Energy: 0.7609526458574134
Energy: 0.9068870427379577
Energy: 0.6953691618746924
Energy: 0.9068870427363127
Energy: 0.7872677857938052
Energy: 1.02608938041888
Energy: 0.5826564328272419
Energy: 1.02608938041888
Energy: 0.7253224494572114
Energy: 0.8270972333661051
Energy: 0.6886972556006625
Energy: 0.8270972333661051
Energy: 0.6234024978608008
Energy: 1.1019764484809154
Energy: 0.7891421098715156
Energy: 1.1019764484800927
Energy: 0.7531643860555652
Energy: 1.016728830371105
Energy: 0.623923043203971
Energy: 1.0167288303702826
Energy: 0.6676593643722742
Energy: 0.911784092732279
Energy: 0.7207076306299383
Energy: 0.911784092732279
Energy: 0.7593061733012022
Energy: 1.013776588768218
Energy: 0.629752930438824
Energy: 1.0137765887690404
Energy: 0.7749579407730539
Energy: 0.881828697226371
Energy: 0.7871362674162035
Energy: 0.8818286972288387
Energy: 0.6502606729301523
Energy: 1.0128330267616585
Energy: 0.8252181723566477
Energy: 1.0128330267616585
Energy: 0.7590836213770973
Energy: 1.0260633629664813
Energy: 0.727898861975088
Energy: 1.0260633629648364
Energy: 0.6981326957613393
Energy: 0.8139586695083049
Energy: 0.7569300716999251
Energy: 0.8139586695091274
Energy: 0.6428401329973092
Energy: 1.0705846350830535
Energy: 0.6495796322614946
Energy: 1.0705846350871662
Energy: 0.720586540308458
Energy: 0.8753208137745823
Energy: 0.6951724971606733
Energy: 0.8753208137770497
Energy: 0.5422909075795886
Energy: 1.0043921177675623
Energy: 0.7869488617765364
Energy: 1.0043921177692074
Energy: 0.7974669605327588
Energy: 0.960386293091177
Energy: 0.8233387714054122
Energy: 0.9603862930903544
Energy: 0.7282538325760707
Energy: 1.0130610557507846
Energy: 0.7272022196134819
Energy: 1.0130610557507846
Energy: 0.6040045792426072
Energy: 0.9776169364667935
Energy: 0.7209293173041754
Energy: 0.9776169364684386
Energy: 0.7556306673621315
Energy: 0.6382804160571671
Energy: 0.6536272014816727
Energy: 0.6382804160571671
Energy: 0.6986360450588869
Energy: 1.0011322525301656
Energy: 0.7628879157958262
Energy: 1.0011322525416813
Energy: 0.809541023051221
Energy: 0.8481857046931646
Energy: 0.7058973830056539
Energy: 0.8481857046939871
Energy: 0.814304351054827
Energy: 1.0347046153029509
Energy: 0.6780894530958219
Energy: 1.0347046152980153
Energy: 0.26181923655798817
Energy: 1.0049953197040333
Energy: 0.7632084136331312
Energy: 1.0049953197048558
Energy: 0.6900859289874456
Energy: 0.8502860451353638
Energy: 0.6932477949845791
Energy: 0.8502860451172675
Energy: 0.5685190561119805
Energy: 0.9836860167048677
Energy: 0.721790593936893
Energy: 0.9836860167024001
Energy: 0.6928688743807987
Energy: 0.8571696391215732
Energy: 0.7245961800529163
Energy: 0.8571696361123868
Energy: 0.789145012892789
Energy: 0.9810344642576729
Energy: 0.6030603535365698
Energy: 0.9810344642576729

minimum gb energy = -0.7224525923626919 eV
minimum distance =  2.26182941831316 Angstroms
sigma value = 53


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

Energy: 0.862873865278806
Energy: 0.8676578599528655
Energy: 0.17915675307478163
Energy: 0.867657859954759
Energy: 0.8189369717957499
Energy: 0.8090129437435748
Energy: 0.6259005209686833
Energy: 0.8090129437416811
Energy: 0.8244905157484375
Energy: 1.0007266961442611
Energy: 0.6972682733000025
Energy: 1.0007266961385803
Energy: 0.8242128619870926
Energy: 1.0048226785507322
Energy: 0.6261278523583879
Energy: 1.0048226785488386
Energy: 0.8189993004577237
Energy: 0.8089821737041114
Energy: 0.7500281902045088
Energy: 0.8089821738668794
Energy: 0.862873865278806
Energy: 0.8676578599528655
Energy: 0.6437199203718647
Energy: 0.867657859954759
Energy: 0.8189369718014309
Energy: 0.8090129437454684
Energy: 0.6259005209667896
Energy: 0.8090129437416811
Energy: 0.824490515750331
Energy: 1.0007266961366867
Energy: 0.8544175553430409
Energy: 1.0007266961385803
Energy: 0.824212861985199
Energy: 1.0048226785488386
Energy: 0.7212621725957388
Energy: 1.0048226785583065
Energy: 0.8189992931590299
Energy: 0.8089821737760271
Energy: 0.6256825611783948
Energy: 0.8089821737211543
Energy: 0.862873865278806
Energy: 0.8676578599528655
Energy: 0.6444470125665159
Energy: 0.867657859954759
Energy: 0.8189369717919626
Energy: 0.8090129437454684
Energy: 0.7178599013458777
Energy: 0.8090129437435748
Energy: 0.8244905157484375
Energy: 1.0007266961499421
Energy: 0.8544175553449347
Energy: 1.000726696129112

minimum gb energy = 0.17915675307478163 eV
minimum distance =  2.2956651423469 Angstroms
sigma value = 9


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

Energy: 0.9295106786091852
Energy: 1.0398744641640787
Energy: -0.35465998151456907
Energy: 1.0398744641640787
Energy: 0.672050999792313
Energy: 0.6841212123626934
Energy: 0.6312090699386832
Energy: 0.6841212124208659
Energy: 0.6435038497772061
Energy: 0.9323116590683362
Energy: 0.5778920209938522
Energy: 0.9323116591370219
Energy: 0.6291516313135106
Energy: 0.931485809331008
Energy: 0.7602029269467506
Energy: 0.9314858093345123
Energy: 0.658735646057683
Energy: 0.6663139530559273
Energy: 0.6783666227706405
Energy: 0.6663139530559273
Energy: 0.8291488329855796
Energy: 0.8545836414872131
Energy: 0.6061975351993852
Energy: 0.8545836422361268
Energy: 0.6673799930003566
Energy: 0.681733544282266
Energy: 0.7244397041347127
Energy: 0.6817335442843686
Energy: 0.80014757084785
Energy: 1.0097854433900817
Energy: 0.6419928271747549
Energy: 1.0097854433480296
Energy: 0.4665938951337634
Energy: 0.8785536100161928
Energy: 0.8160195193006067
Energy: 0.8785536108190098
Energy: 0.6200127848613389
Energy: 0.7448416910825388
Energy: 0.7431733487504918
Energy: 0.7448416910776327
Energy: 0.7968608714746315
Energy: 1.0493788883889386
Energy: 0.5393119811201348
Energy: 1.049378888392443
Energy: 0.6261021436625379
Energy: 0.9590981738882473
Energy: 0.7128040294953636
Energy: 0.9590981738819395
Energy: 0.7631166048576775
Energy: 1.0112267662962255
Energy: 0.5903521755497781
Energy: 1.0112267663011316
Energy: 0.619988122290392
Energy: 0.9415887721936107
Energy: 0.9183437327465385
Energy: 0.9415887722013204
Energy: 0.6982818614856169
Energy: 0.8937132164180653
Energy: 0.6506146186981515
Energy: 0.8937132164152617
Energy: 0.7657554967843568
Energy: 0.8812618745072358
Energy: 0.6430887283134031
Energy: 0.8812618739488322
Energy: 0.6900688858886455
Energy: 0.9423615933648165
Energy: 0.6790329502801395
Energy: 0.9423615931104639
Energy: 0.7883238503201337
Energy: 0.6678410286098359
Energy: 0.5933949150181661
Energy: 0.667841028614041
Energy: 0.30859525948164923
Energy: 0.8696714265826924
Energy: 0.817015770661274
Energy: 0.8696714265777863
Energy: 0.6395271568181943
Energy: 0.7908551608098396
Energy: 0.6562192996336679
Energy: 0.790855160807737
Energy: 0.6725911735365158
Energy: 1.0368794423968846
Energy: 0.6602865079099257
Energy: 1.0368794423975856
Energy: 0.7482892606607702
Energy: 0.7665873302287064
Energy: 0.478461392051273
Energy: 0.7665873304640719
Energy: 0.6738885663233212
Energy: 0.8629188541163868
Energy: 0.636084540476669
Energy: 0.8629188541170877
Energy: 0.2018995284987838
Energy: 0.8960494105603892
Energy: 0.8500705531518973
Energy: 0.8960494151630793
Energy: 0.7191895703294711
Energy: 0.4745699836499794
Energy: 0.6354387164095241
Energy: 0.4745699836457742
Energy: 0.6936248745127312
Energy: 0.9310784000194576
Energy: 0.750963512502212
Energy: 0.9310784000572411
Energy: 0.6679944297010492
Energy: 0.9006992849000518
Energy: 0.6326921161850443
Energy: 0.9006992838681134
Energy: 0.8151759197606889
Energy: 0.8208179093140827
Energy: 0.6277193725683463
Energy: 0.8208179093154844
Energy: 0.6457432861305796
Energy: 0.9317406309215234
Energy: 0.7573140006983065
Energy: 0.9317406309229251
Energy: 0.7279552900962266
Energy: 0.6557573634645135
Energy: 0.7227781431345847
Energy: 0.6557573600702542
Energy: 0.4843665167058078
Energy: 1.0003692854256894
Energy: 0.8498611391032667
Energy: 1.000369285421548
Energy: 0.5947474335923634
Energy: 0.646762299460689
Energy: 0.6569620598556988
Energy: 0.6467622994585863
Energy: 0.6809038249614787
Energy: 0.7936484534926204
Energy: 0.6549449315537216
Energy: 0.7936484534884151
Energy: 0.6614149802940528
Energy: 1.041552139050113
Energy: 0.6631986563589168
Energy: 1.0415521390494122
Energy: 0.6519514296759531
Energy: 0.7432022128289578
Energy: 0.712036114708399
Energy: 0.7432022128296587

minimum gb energy = -0.35465998151456907 eV
minimum distance =  2.26249125370364 Angstroms
sigma value = 73


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

Energy: 0.9384031484337493
Energy: 0.8857070105811256
Energy: 0.27508114736963263
Energy: 0.8857070069098378
Energy: 0.8237168336558237
Energy: 0.7799322620584838
Energy: 0.844545146045038
Energy: 0.7799322620584838
Energy: 0.7512201334734823
Energy: 0.9230722802961289
Energy: 0.8050883253819868
Energy: 0.9230722803005768
Energy: 0.7155797188493406
Energy: 0.8912699173655253
Energy: 0.8138722467716732
Energy: 0.8912699173510693
Energy: 0.6420905115799102
Energy: 0.7786950849378034
Energy: 0.8229248413309074
Energy: 0.7786950849378034
Energy: 0.8423677507139167
Energy: 0.9243162075811286
Energy: 0.4912553755060482
Energy: 0.9243162075010907
Energy: 0.7240376982871277
Energy: 0.6627875009702724
Energy: 0.7770616519191569
Energy: 0.6627875009702724
Energy: 0.8038393927345823
Energy: 0.9258387105718553
Energy: 0.5945067379137103
Energy: 0.9258387107885924
Energy: 0.6932111325387007
Energy: 0.7112533494462695
Energy: 0.9199357803031086
Energy: 0.7112533494462695
Energy: 0.7361148642172296
Energy: 0.7446134718348483
Energy: 0.7489920927759426
Energy: 0.7446134718337364
Energy: 0.7629881315351894
Energy: 0.8526131438253859
Energy: 0.6373698222881145
Energy: 0.8526131437920516
Energy: 0.7346901339699521
Energy: 0.8699328904329923
Energy: 0.707751115376025
Energy: 0.8699328903418343
Energy: 0.8444060886618064
Energy: 0.6929307373727639
Energy: 0.628953719811652
Energy: 0.6929307373716519
Energy: 0.05093215451564053
Energy: 1.03524806166316
Energy: 0.8425300952271649
Energy: 1.0352480619810378
Energy: 0.6608584985683478
Energy: 0.8051213219064474
Energy: 0.740295423362146
Energy: 0.8051213219064474
Energy: 0.6216137065925366
Energy: 0.9221424868999514
Energy: 0.8039203320742221
Energy: 0.9221424868988393
Energy: 0.8193266920530711
Energy: 0.9228437794954477
Energy: 0.7520432080327165
Energy: 0.9228437795476859
Energy: 0.9318203119363173
Energy: 0.8584003818455468
Energy: 0.7487432362284945
Energy: 0.8584003820456293
Energy: 0.6252199876368751
Energy: 0.8596800929951812
Energy: 0.80415495859275
Energy: 0.8596800930429715
Energy: 0.8232513155506106
Energy: 0.9260634843448752
Energy: 0.7789744773429289
Energy: 0.9260634843948895
Energy: 0.6338600259184689
Energy: 0.9385761582526454
Energy: 0.841650781563085
Energy: 0.9385761582537574
Energy: 0.814771846031325
Energy: 0.7557687492436373
Energy: 0.681791279935173
Energy: 0.7557687492425254

minimum gb energy = 0.05093215451564053 eV
minimum distance =  2.2599632955636 Angstroms
sigma value = 7


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

Energy: 0.935973262885092
Energy: 0.6062182682268578
Energy: -0.16211939115540808
Energy: 0.6062182682252849
Energy: 0.4380240889950362
Energy: 0.6961214594370176
Energy: 0.7498762701394416
Energy: 0.696121462895184
Energy: 0.7231762102248559
Energy: 0.8046413485719357
Energy: 0.6607240854371761
Energy: 0.8046413485656453
Energy: 0.17088844327883276
Energy: 0.6534291060068492
Energy: 0.8578712059420971
Energy: 0.6534291060076354
Energy: 0.7228607182275585
Energy: 0.6409896842166051
Energy: 0.743577028798397
Energy: 0.6409896842142461
Energy: 0.8260534394807024
Energy: 0.8537952043507132
Energy: 0.17063188458244744
Energy: 0.8537952043625077
Energy: 0.627013639047925
Energy: 0.9792274347918445
Energy: 0.6279470253292166
Energy: 0.9792274345953419
Energy: 0.8258088829942415
Energy: 0.6340098748227895
Energy: 0.2835617472259233
Energy: 0.6340098748298661
Energy: 0.7098782514777608
Energy: 0.837020042455894
Energy: 0.8427344559573807
Energy: 0.8370200427616201
Energy: 0.7207356255309879
Energy: 0.6846508025650537
Energy: 0.6555740558376811
Energy: 0.6846508025650537
Energy: 0.6050121814475053
Energy: 0.6456953036042078
Energy: 0.6552157550836265
Energy: 0.6456953037762994
Energy: 0.6144639633625247
Energy: 0.8019792009342307
Energy: 0.36164746797603664
Energy: 0.8019792009318717
Energy: 0.7922344695166919
Energy: 0.8654637696832962
Energy: 0.3269673025668296
Energy: 0.8654637697029537
Energy: 0.6230449738306681
Energy: 0.9932865010967268
Energy: 0.6390953984463937
Energy: 0.9932865010920089
Energy: 0.6226876749583604
Energy: 0.681346081782028
Energy: 0.7478542190598177
Energy: 0.681346081787532
Energy: -0.06820064637906094
Energy: 0.9213973712596182
Energy: 0.8418097434648479
Energy: 0.9213973712604046
Energy: 0.6230284556593729
Energy: 0.6579356706023363
Energy: 0.6687799206370036
Energy: 0.6579356706031224
Energy: 0.6570794158185729
Energy: 0.7802490120077898
Energy: 0.3552714570347311
Energy: 0.7802490120125077
Energy: 0.8223135242928852
Energy: 0.8507334943918266
Energy: 0.3567475956469247
Energy: 0.8507334942314937
Energy: 0.7212066086295303
Energy: 0.6532527509271379
Energy: 0.41815138801923396
Energy: 0.6532527509224201
Energy: 0.12549718627341458
Energy: 0.8986392703758195
Energy: 0.8427358592005985
Energy: 0.8986392704850789
Energy: 0.7206214484688059
Energy: 0.8920889806778117
Energy: 0.41857892389530615
Energy: 0.8920889806911787
Energy: 0.6492044049087676
Energy: 0.8367108695773703
Energy: 0.6467246764062655
Energy: 0.8367108695797292
Energy: 0.9370395348011444
Energy: 0.6194771357532692
Energy: 0.08528574349371298
Energy: 0.6194771357454063
Energy: 0.7871749562877451
Energy: 0.7384034880147964
Energy: 0.6273360945330059
Energy: 0.7384034880203005
Energy: 0.6277476599337554
Energy: 0.6548618665303744
Energy: 0.6628814008301337
Energy: 0.6548618659786446
Energy: 0.7233189826437031
Energy: 0.7996827018134762
Energy: 0.6210521275679228
Energy: 0.7996827018095447
Energy: -0.031067356757061515
Energy: 0.6517010606557418
Energy: 0.8575341609150088
Energy: 0.6517010606565282
Energy: 0.8253871199709932
Energy: 1.0090719893350344
Energy: -0.10820221588882385
Energy: 1.0090719893326754
Energy: 0.8323783862371847
Energy: 1.1670692962598512
Energy: 0.8438152557847627
Energy: 1.1670692962645335
Energy: 0.8254347181337552
Energy: 1.0093650468668165
Energy: 0.022996228166630706
Energy: 1.0093650468613482

minimum gb energy = -0.16211939115540808 eV
minimum distance =  2.2416450816931 Angstroms
sigma value = 29


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

Energy: 0.6929632812580673
Energy: 0.8647464469539085
Energy: 0.35265410336505576
Energy: 0.8647464469541825
Energy: 0.6304249106824396
Energy: 0.707731580649331
Energy: 0.831660692504448
Energy: 0.7075736433416101
Energy: 0.5831198521672268
Energy: 0.8373571087022885
Energy: 0.6313516727940042
Energy: 0.8373571087028364
Energy: 0.8329158412164914
Energy: 1.0999795968373478
Energy: 0.8337791065792876
Energy: 1.0999795968378956
Energy: 0.833298403481933
Energy: 0.7867477851114916
Energy: 0.6171250487316965
Energy: 0.7867477851112177
Energy: 0.5827306306016795
Energy: 0.979853326234177
Energy: 0.5821512810715286
Energy: 0.979853326234177
Energy: 0.7751177110804407
Energy: 0.7867546971741816
Energy: 0.8331106511801356
Energy: 0.7867546971741816
Energy: 0.8301385923041397
Energy: 1.0994216580078464
Energy: 0.8297583376124557
Energy: 1.0994216580086378
Energy: 0.6312206529649652
Energy: 0.8373791014146903
Energy: 0.5866602520852031
Energy: 0.8373791014152381

minimum gb energy = 0.35265410336505576 eV
minimum distance =  2.32976913349024 Angstroms
sigma value = 5


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

Energy: 0.5899694332565874
Energy: 0.5074454969728772
Energy: -0.8896759646101984
Energy: 0.5074454970455993
Energy: 0.5434641893735837
Energy: 0.9797502588548693
Energy: 0.5070417099577427
Energy: 0.9797502588852885
Energy: 0.5607651481796867
Energy: 0.45307912185677174
Energy: 0.6466862448035844
Energy: 0.45307912185454347
Energy: 0.16802671697957955
Energy: 0.7854015467833034
Energy: 0.554694694118384
Energy: 0.7854015463638515
Energy: 0.5756804456499381
Energy: 0.7359530164811696
Energy: 0.6222690731010282
Energy: 0.7359530159881852
Energy: 0.17285105580879676
Energy: 0.5338414160493974
Energy: 0.4820790201498199
Energy: 0.5338414160501402
Energy: 0.5521000729216196
Energy: 0.5993402696215813
Energy: 0.22300483736738588
Energy: 0.5993402696215813
Energy: 0.5436314691949728
Energy: 0.8671019552179344
Energy: 0.5306473390610268
Energy: 0.8671019552446735
Energy: 0.6028631499046686
Energy: 0.7400470493780983
Energy: 0.5093545964383132
Energy: 0.740047049390725
Energy: 0.5520478837356526
Energy: 0.6025537574140498
Energy: 0.14181873343899845
Energy: 0.6025537574140498
Energy: -0.294794200776412
Energy: 0.7242272434377642
Energy: 0.559501719263181
Energy: 0.7242272794370328
Energy: 0.5523063670874206
Energy: 0.9089393984787886
Energy: 0.5433057225135858
Energy: 0.9089393984839876
Energy: 0.20372789629146376
Energy: 0.522520759961621
Energy: 0.7048951908329524
Energy: 0.5225207599623637
Energy: 0.5664793820617835
Energy: 0.6791988853891089
Energy: 0.7842689575912701
Energy: 0.679198885343801
Energy: 0.5627225566914993
Energy: 0.7567079027835311
Energy: 0.559055752541713
Energy: 0.7567041070988906
Energy: 0.5290452799885607
Energy: 0.4176851423320996
Energy: 0.07686300971894852
Energy: 0.4176851423320996
Energy: 0.4884039334193392
Energy: 0.7509665493496381
Energy: 0.5135238682012223
Energy: 0.7509665493889364
Energy: 0.5807915493313546
Energy: 0.5184609864209563
Energy: 0.15269685177482276
Energy: 0.5184609864209563
Energy: 0.42639407265399376
Energy: 0.5613012321700065
Energy: 0.5219012146736081
Energy: 0.5613012321700065
Energy: 0.5450015965303268
Energy: 0.7519115569123794
Energy: 0.43772842786748173
Energy: 0.7519115581351509
Energy: 0.5088483258738079
Energy: 0.5473235837959408
Energy: 0.5513534527916056
Energy: 0.5470454876077174
Energy: 0.6015258653785184
Energy: 0.5615205447283997
Energy: 0.5693721235208267
Energy: 0.5615205447506824
Energy: 0.5317947812252046
Energy: 0.6972531455578315
Energy: 0.509289935486142
Energy: 0.6972531455600598
Energy: 0.5351361848368786
Energy: 0.8650367497477621
Energy: 0.5460705538648439
Energy: 0.8650355881727312
Energy: 0.606067346128773
Energy: 0.5643552376893701
Energy: 0.5644883954806489
Energy: 0.5643552376878845
Energy: 0.612378541835601
Energy: 0.698731363412648
Energy: 0.5751410828139971
Energy: 0.698731363412648
Energy: 0.5227881881613605
Energy: 0.7723432073863438
Energy: 0.5320099658566123
Energy: 0.7723432074078836
Energy: 0.014559533916763836
Energy: 0.9726685371386942
Energy: 0.5291822554000212
Energy: 0.9726685371453788
Energy: 0.5492893356401454
Energy: 0.9152434946574497
Energy: 0.6097976941158514
Energy: 0.9152434938556495
Energy: 0.36922175846492705
Energy: 0.8729125856493609
Energy: 0.5642550284190466
Energy: 0.8729125856478754
Energy: 0.5241001399674273
Energy: 0.5137940407606689
Energy: 0.3028889425045702
Energy: 0.5137940407599262
Energy: 0.6237413600652617
Energy: 0.8705662989484488
Energy: 0.5527623096657206
Energy: 0.8705662989491916
Energy: 0.5272894186927942
Energy: 0.9729937530417792
Energy: 0.22016841193613568
Energy: 0.9729937351286417

minimum gb energy = -0.8896759646101984 eV
minimum distance =  2.19000592398547 Angstroms
sigma value = 1


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

Energy: 0.6409511692593067
Energy: 0.5267913440034404
Energy: 0.21118184407360785
Energy: 0.5267913439993324
Energy: 0.6491294836885398
Energy: 1.1149512780041153
Energy: 0.5097620021672159
Energy: 1.114951278005142
Energy: 0.43435104080526127
Energy: 0.5243686924614351
Energy: 0.395769972150045
Energy: 0.5243686924593812
Energy: 0.4619047022707751
Energy: 0.7296418969085123
Energy: 0.5386062037138164
Energy: 0.7296418970347838
Energy: 0.37112391396977024
Energy: 0.912932715355079
Energy: 0.7535938888720687
Energy: 0.9129327153561059
Energy: 0.42752382440433795
Energy: 0.8063979090608586
Energy: 0.5380983657128523
Energy: 0.8063984037946661
Energy: 0.41937551990734817
Energy: 0.6448349144593111
Energy: 0.4596804465143222
Energy: 0.6448349144593111
Energy: 0.4122019324178008
Energy: 0.8561476136817603
Energy: 0.48319902494099304
Energy: 0.8561476136817603
Energy: 0.5114646751806179
Energy: 0.8234875274653739
Energy: 0.4466201902999152
Energy: 0.8234875267560596
Energy: 0.512972862499713
Energy: 0.8646942661961156
Energy: 0.4450775791544777
Energy: 0.8646942661961156
Energy: 0.4104911067307548
Energy: 0.8082200673144004
Energy: 0.4141246496672793
Energy: 0.8082200683172901
Energy: 0.41970611102617605
Energy: 0.5905942833998425
Energy: 0.4757801697310282
Energy: 0.5905942834029235
Energy: 0.4306903138309794
Energy: 0.8116259605138072
Energy: 0.5382557450576775
Energy: 0.8116254317117677
Energy: 0.41871881098425595
Energy: 0.9054587873013196
Energy: 0.6190902819885317
Energy: 0.9054587873013196
Energy: 0.46198618733893304
Energy: 0.7258414914396126
Energy: 0.5393622467695166
Energy: 0.725841491358528
Energy: 0.4396695367982615
Energy: 0.5234538104835467
Energy: 0.32059099193952323
Energy: 0.5234538104794386
Energy: 0.6478179979652231
Energy: 1.1218203947058891
Energy: 0.5089904648183634
Energy: 1.1218203947017815
Energy: 0.640951169002656
Energy: 0.5267913439366869
Energy: 0.17133599435972038
Energy: 0.5267913439254368
Energy: 0.6491294835951316
Energy: 1.1149512780041153
Energy: 0.5097620021692698
Energy: 1.1149512780061688
Energy: 0.43435104080731524
Energy: 0.5243686924563004
Energy: 0.486433981355219
Energy: 0.5243686924552733
Energy: 0.4619047022635863
Energy: 0.7296418969598611
Energy: 0.5386062037138164
Energy: 0.729641897026568
Energy: 0.3711239139677163
Energy: 0.9129327153612408
Energy: 0.7613319620621306
Energy: 0.9129327153622678
Energy: 0.427523824403311
Energy: 0.806426867220431
Energy: 0.5380983657087445
Energy: 0.8064297096929384
Energy: 0.41937551995356215
Energy: 0.644834914464446
Energy: 0.45968044649891754
Energy: 0.6448349144654728

minimum gb energy = 0.17133599435972038 eV
minimum distance =  2.28019946232612 Angstroms
sigma value = 17


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

Energy: 0.5442174909939665
Energy: 0.20951481734114077
Energy: -0.37331310954010544
Energy: 0.20951461032890767
Energy: 0.2108042318374806
Energy: 0.7909402031390008
Energy: 0.16818735303220816
Energy: 0.790940211408743
Energy: 0.3776182115342335
Energy: 0.07745926597629128
Energy: 0.1898880717678097
Energy: 0.07745970114837983
Energy: -0.14482937111192318
Energy: 0.7423701879025683
Energy: 0.02967827654229699
Energy: 0.7423701879051072
Energy: -0.016812055024465113
Energy: 0.688136475633222
Energy: 0.3231189649312836
Energy: 0.6881371798962679
Energy: -0.16718473600212702
Energy: 0.865281246746553
Energy: 0.2230778873989441
Energy: 0.8652812467306843
Energy: 0.12608689178783192
Energy: 0.3302311186699563
Energy: 0.40319352748972537
Energy: 0.3265558485413401
Energy: -0.03413208394429321
Energy: 0.4733521995380719
Energy: -0.06640842866145198
Energy: 0.47335218893670655
Energy: 0.04212135290350007
Energy: 0.5290119295846849
Energy: -0.5762263598517015
Energy: 0.5290119289990959
Energy: 0.04345361865094652
Energy: 0.7425697882603816
Energy: 0.12078960926083598
Energy: 0.7425584358016772
Energy: 0.09114187001038386
Energy: 0.851193457100535
Energy: -0.01767848254227959
Energy: 0.851193457095457
Energy: 0.13138961844772737
Energy: 0.20331120853869547
Energy: 0.07462300952280888
Energy: 0.20329661787898373
Energy: -0.16804803842307253
Energy: 0.7474267207369243
Energy: 0.07972579112745744
Energy: 0.7474267206284391
Energy: -0.061084170894187446
Energy: 0.5012752976731892
Energy: 0.19350355959219742
Energy: 0.5010624847865242
Energy: -0.13090097332804815
Energy: 0.8627911768843406
Energy: 0.16943496509735162
Energy: 0.8627911768633937
Energy: 0.1404982503767453
Energy: 0.20624590669092505
Energy: 0.31145602414153234
Energy: 0.20576316976092493
Energy: 0.03802288792028357
Energy: 0.5514267701524127
Energy: 0.13132423946443345
Energy: 0.5514267701511432
Energy: 0.2528834187437244
Energy: 0.23962981009284223
Energy: -0.1408970453369557
Energy: 0.23962981008845666
Energy: 0.3198044795429908
Energy: 1.0708376081766409
Energy: 0.15338736985358187
Energy: 1.0708376081772757
Energy: 0.4095355682068448
Energy: 0.052431204926737154
Energy: -0.2804263113610203
Energy: 0.05243120492483289
Energy: 0.21144633584861425
Energy: 0.7896738811148512
Energy: 0.17594234973491885
Energy: 0.7896738812131802
Energy: 0.1781073891169327
Energy: 0.9328188310248836
Energy: 0.2429915880772122
Energy: 0.9328188310305964
Energy: -0.03416221103098404
Energy: 0.7569384328433315
Energy: 0.26383478394660526
Energy: 0.7569384345526075
Energy: 0.13726070910272353
Energy: 0.7847328523788001
Energy: 0.29003351440558
Energy: 0.7847328530183431
Energy: -0.21693401978352733
Energy: 0.1686076922674039
Energy: 0.03782996142546598
Energy: 0.16860757130980603
Energy: 0.18189765169157968
Energy: 0.3155303967872082
Energy: 0.013745574272906213
Energy: 0.31553039663048177
Energy: 0.1423016106424893
Energy: 0.7172224692204434
Energy: 0.1626662381725021
Energy: 0.7172224692420249
Energy: 0.16895906555457588
Energy: 0.8319023599674992
Energy: -0.03096214620722235
Energy: 0.8319023600011412
Energy: 0.16484997309567231
Energy: 0.6487537913424689
Energy: -0.034011267739922864
Energy: 0.6487538168895104
Energy: 0.20725713245558508
Energy: 0.8712771485965214
Energy: -0.09364079186949115
Energy: 0.871277148779215
Energy: 0.00545642714859174
Energy: 0.3188507714292122
Energy: 0.10916847782738472
Energy: 0.31885056717758004
Energy: -0.0430332457912972
Energy: 0.768866493758084
Energy: 0.11968850965797612
Energy: 0.7688665313365906
Energy: 0.06566601466459673
Energy: 0.7737554244267134
Energy: 0.21229020588709335
Energy: 0.7737554244305217
Energy: -0.089201874979475
Energy: 0.46214065832527024
Energy: 0.15786834758775428
Energy: 0.47119441523927846
Energy: -0.016868941054766697
Energy: 0.17941705861573953
Energy: 0.06766254462324871
Energy: 0.1794170587007965
Energy: 0.04670444060805894
Energy: 0.8021417328023559
Energy: 0.08492684750301825
Energy: 0.8021417327230694
Energy: 0.25148891349059865
Energy: 0.8760100319480281
Energy: -0.17125046663292218
Energy: 0.8760100319556452
Energy: 0.3316704181933531
Energy: 0.8853308957666889
Energy: 0.1421714837195481
Energy: 0.8853308958897733

minimum gb energy = -0.5762263598517015 eV
minimum distance =  2.19236031977174 Angstroms
sigma value = 89


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

Energy: 0.5448245456317621
Energy: 0.4089820305487272
Energy: 0.22861539314976217
Energy: 0.4089820305487272
Energy: 0.3958392319392757
Energy: 0.48000192354723975
Energy: 0.38459179628740364
Energy: 0.48000192354890053
Energy: 0.3822648560758237
Energy: 0.9449816794540392
Energy: 0.48452075623662944
Energy: 0.9449816794557001
Energy: 0.12430407210155159
Energy: 0.472669298343005
Energy: 0.3784510698104988
Energy: 0.472669298343005
Energy: 0.39725281696836057
Energy: 0.899181022366684
Energy: 0.5996816039763596
Energy: 0.899181022366684
Energy: 0.3955690159269517
Energy: 0.41093923058522375
Energy: 0.3907037236528998
Energy: 0.41093923058522375
Energy: 0.3835268201270727
Energy: 0.5879741224920005
Energy: 0.41366739648534423
Energy: 0.5879741224920005
Energy: -0.04313992682487843
Energy: 0.5850638229005407
Energy: 0.4269228369057436
Energy: 0.5850638220970705
Energy: 0.3995490505645026
Energy: 0.41903161071205886
Energy: 0.1998893575084908
Energy: 0.41903161052944166
Energy: 0.4559055332018687
Energy: 0.40464290704572187
Energy: 0.3948599768177778
Energy: 0.404438012190019
Energy: 0.3900591063217512
Energy: 0.5371023975812265
Energy: 0.4284982980979423
Energy: 0.5371023975862089
Energy: 0.3914245750479496
Energy: 0.6213693292028257
Energy: 0.38204652679067364
Energy: 0.6213693292028257
Energy: 0.4286338060549611
Energy: 0.8727242870702087
Energy: -0.04600958116285327
Energy: 0.8727242870702087
Energy: 0.3948002856788083
Energy: 0.479615016703721
Energy: 0.3938298032188795
Energy: 0.479615016703721
Energy: 0.16070867002445954
Energy: 0.8791329814615548
Energy: 0.3975127257876316
Energy: 0.8791329814598939

minimum gb energy = -0.04600958116285327 eV
minimum distance =  2.19928494667343 Angstroms
sigma value = 13


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

Energy: 0.46166405495697144
Energy: 0.8230843114296688
Energy: -0.7810481794772035
Energy: 0.8230843114296688
Energy: 0.05627179382811625
Energy: 0.8497356446767138
Energy: -0.2359740371799439
Energy: 0.8497356446718409
Energy: 0.4268712995787636
Energy: 0.8247937113704609
Energy: -0.4711860694363125
Energy: 0.8247937115513888
Energy: -0.3320335224906561
Energy: 0.860874702471017
Energy: -0.486482278571712
Energy: 0.8608747024633597
Energy: -0.29761015154744735
Energy: 0.5045272115799724
Energy: -0.11085016704076128
Energy: 0.5045192147525257
Energy: -0.42512559467174227
Energy: 0.6618042902249397
Energy: -0.24941356395044884
Energy: 0.6618042902430388
Energy: -0.3013147463155157
Energy: 0.9692887288676978
Energy: 0.19365572089554967
Energy: 0.9692887288649765
Energy: -0.4664525698190379
Energy: 0.8498527108589636
Energy: -0.246546688599913
Energy: 0.8498527108554831
Energy: -0.28734791141721294
Energy: 0.8231212598291695
Energy: -0.10645833073331248
Energy: 0.8231212600344617
Energy: -0.28454885060186763
Energy: 0.7043032063107371
Energy: -0.16910334548445277
Energy: 0.7043032063287729
Energy: -0.053881979018157646
Energy: 0.6496111080028725
Energy: -0.4374868792135805
Energy: 0.6496111080133142
Energy: 0.11825432755116105
Energy: 0.6878428939489706
Energy: -0.49638356468385436
Energy: 0.6878428987229002
Energy: 0.2614856128629535
Energy: 0.8412518838506596
Energy: -0.405428217000956
Energy: 0.8412518838541403
Energy: 0.10781060045018008
Energy: 0.7003618255762298
Energy: -0.4730677965736488
Energy: 0.7003618255734454
Energy: -0.31940095938812707
Energy: 0.8138542024797378
Energy: -0.3958331970747538
Energy: 0.8138542024811299
Energy: -0.35889157239138075
Energy: 0.6822697086323984
Energy: -0.400697281503979
Energy: 0.6822697086365751
Energy: -0.137705045470805
Energy: 0.9575141879178353
Energy: -0.384504406121407
Energy: 0.9575141879178353
Energy: -0.40181889435565865
Energy: 0.8407810082530891
Energy: -0.23864807887274844
Energy: 0.840781008257266
Energy: -0.15088115391452311
Energy: 0.8223378531951958
Energy: -0.247747628512589
Energy: 0.8223378531958919
Energy: -0.14264795942564126
Energy: 0.8195658574767849
Energy: -0.25171900987531326
Energy: 0.8195658574740005
Energy: -0.40445261639758523
Energy: 0.8534260630022436
Energy: -0.2456542098160866
Energy: 0.853426062999459
Energy: -0.14461133427867384
Energy: 0.9472884190510148
Energy: -0.3763077993490136
Energy: 0.9472884190607606
Energy: -0.3451268214317219
Energy: 0.6810124487943536
Energy: -0.39791574864431234
Energy: 0.6810124484735688
Energy: -0.3191559191698505
Energy: 0.7652950917651257
Energy: -0.46008945848810595
Energy: 0.7652951054092728
Energy: 0.3336427060560242
Energy: 0.693847411957665
Energy: -0.49977403590534664
Energy: 0.6938474115269563
Energy: 0.23107769507712062
Energy: 0.8437329718304258
Energy: -0.38889793670035827
Energy: 0.8437329718213762
Energy: 0.050931815987486785
Energy: 0.648545855304213
Energy: -0.4656277458542751
Energy: 0.6485458552423217
Energy: -0.30414801694991994
Energy: 0.6671094925376619
Energy: -0.5341720774008287
Energy: 0.6671094925320928
Energy: -0.2901028654490032
Energy: 0.6861154946482041
Energy: -0.16470147987593045
Energy: 0.6861154888159184
Energy: -0.29055133969550206
Energy: 0.8263066225487243
Energy: -0.0707044089881769
Energy: 0.8263066225438513
Energy: -0.46494432623997933
Energy: 0.6309563326909947
Energy: -0.2145266912719325
Energy: 0.6309231994239003
Energy: -0.24304330224236445
Energy: 0.9674848156317452
Energy: 0.2822703542755604
Energy: 0.9674848156735123
Energy: -0.4626096486039489
Energy: 0.7262802804510137
Energy: -0.2145922364586387
Energy: 0.7262802804496213
Energy: -0.1323712147699911
Energy: 0.4990486394068254
Energy: -0.0076724108427236185
Energy: 0.49904863923292186
Energy: -0.32369616238770227
Energy: 0.8686501284806559
Energy: -0.2127794249527092
Energy: 0.8686501284848328

minimum gb energy = -0.7810481794772035 eV
minimum distance =  2.19948632111212 Angstroms
sigma value = 37


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

Energy: 0.5899725240612931
Energy: 0.626791914316374
Energy: -0.30222571256468805
Energy: 0.6267919143151762
Energy: 0.6577639782577441
Energy: 0.7138165717172268
Energy: 0.3212578761182544
Energy: 0.7138165717136338
Energy: 0.36764205675654826
Energy: 0.9769422029047585
Energy: 0.1236433313835816
Energy: 0.9769422029035609
Energy: 0.20726887283619466
Energy: 0.5904620966237805
Energy: 0.19811726800627608
Energy: 0.5904620966213852
Energy: 0.18625453113719997
Energy: 0.7199229646100699
Energy: 0.19943527374769895
Energy: 0.7199229645813534
Energy: -0.13780720710219882
Energy: 0.8680058845977521
Energy: 0.3204269614163872
Energy: 0.8680058845977521
Energy: 0.22456169109687912
Energy: 1.0737522172082477
Energy: 0.6424969746707262
Energy: 1.0737522172082477
Energy: 0.07273134916951024
Energy: 0.375696298430714
Energy: 0.3781021396528727
Energy: 0.375696298430714
Energy: -0.0049632696031771855
Energy: 0.6993636703067846
Energy: 0.6193851597423647
Energy: 0.6993636703079823
Energy: 0.10865106296109388
Energy: 0.717411788808176
Energy: 0.3175734054497508
Energy: 0.7174117888057808
Energy: 0.18910084308253267
Energy: 0.9726558137915655
Energy: 0.17795782239617278
Energy: 0.9726558137927632
Energy: 0.48423933225654997
Energy: 0.7179811756698321
Energy: 0.18622070977434468
Energy: 0.7179811756746226
Energy: 0.34085566218662344
Energy: 0.8781891145925497
Energy: -0.09126366152094491
Energy: 0.8781891145913522
Energy: 0.6208552605938418
Energy: 1.073242277750864
Energy: 0.16798317312336372
Energy: 1.073242277750864
Energy: 0.5812549929271578
Energy: 0.6189617418599348
Energy: 0.07350011993665662
Energy: 0.6189617418994302
Energy: 0.48056470288943165
Energy: 0.6581559882047499
Energy: -0.010825686951477759
Energy: 0.6581559882035521
Energy: 0.30086541774270537
Energy: 0.718416673668928
Energy: -0.1894536460345129
Energy: 0.7184166736677303
Energy: 0.17312019371106446
Energy: 0.9696832098007255
Energy: 0.19877994622108935
Energy: 0.9696832098019231
Energy: 0.20607523189979116
Energy: 0.6594314473369265
Energy: 0.14835287348503448
Energy: 0.6594314473165936
Energy: 0.13244794567139256
Energy: 0.9430777842897453
Energy: 0.32095047172819074
Energy: 0.943077784290943

minimum gb energy = -0.30222571256468805 eV
minimum distance =  2.20794948130428 Angstroms
sigma value = 25


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

Energy: 0.2928491084566913
Energy: 0.7465593788951045
Energy: -1.0879268306293772
Energy: 0.7465593788941695
Energy: 0.13433124147354014
Energy: 0.7453621063606021
Energy: 0.2280965862703126
Energy: 0.7453621063615372
Energy: 0.24766522670579966
Energy: 0.02349268720949646
Energy: -0.45974473300738833
Energy: 0.02349268720949646
Energy: -0.15500259816253
Energy: 0.7790330076746033
Energy: 0.2265055748582447
Energy: 0.7790330076736679
Energy: 0.20823760353198104
Energy: 0.8076003137150031
Energy: -0.2124175733904971
Energy: 0.8076003137140677
Energy: -0.5484303817588202
Energy: 0.798234160190512
Energy: 0.2278611971545825
Energy: 0.798234160190512
Energy: 0.21850188255361028
Energy: 0.5659534893890811
Energy: -0.23838105947367835
Energy: 0.5659534915344483
Energy: -0.6767115016980745
Energy: 0.5835626395692242
Energy: 0.24911498949208305
Energy: 0.5835626395701595
Energy: 0.2070124819158033
Energy: 0.7861587492016049
Energy: 0.1029001454874281
Energy: 0.7861587491829435
Energy: -0.5741577511559139
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Energy: 0.2956990339919547
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Energy: 0.2120884178728253
Energy: 0.5404189726217975
Energy: 0.08298543780296172
Energy: 0.5404189726227328
Energy: -0.4999323589379478
Energy: 0.8316813083195903
Energy: 0.24791073216312334
Energy: 0.8316813083195903
Energy: 0.2086587153184205
Energy: 0.7827638113668264
Energy: -0.16155591174506997
Energy: 0.7827638113649561
Energy: -0.19408740877848682
Energy: 0.7898844187339381
Energy: 0.22747995015265382
Energy: 0.7898844187348734
Energy: 0.22496599410221554
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Energy: -0.5478049862382138
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Energy: 0.22785654372119135
Energy: 0.8102002915812097
Energy: 0.2149504705245488
Energy: 0.8102002915830798
Energy: 0.2088328336705633
Energy: 0.5811652205268801
Energy: -0.8154955944391127
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Energy: 0.07674697621573362
Energy: 0.7908739408838313
Energy: 0.2254726785829386
Energy: 0.7908739408838313
Energy: 0.3089233677917295
Energy: 0.7799373789446442
Energy: -0.45837134664332885
Energy: 0.7799373789437091
Energy: 0.14110042243672088
Energy: 0.7987894903144054
Energy: 0.17139304096670488
Energy: 0.7987894903013124
Energy: 0.20930022897288938
Energy: 0.8186996188998509
Energy: -0.17835529123191624
Energy: 0.8186996189045268
Energy: -0.26080210908388324
Energy: 0.7783712035714019
Energy: 0.22901081439403423
Energy: 0.7783712043145521
Energy: 0.1890490746027906
Energy: 0.14302219225919954
Energy: -0.24178370229133467
Energy: 0.14210867725993237
Energy: -0.21069165940088752
Energy: 0.8007662959718577
Energy: 0.18371995986609882
Energy: 0.8007662959625056
Energy: -0.2683404302042233
Energy: 0.8183898600346011
Energy: 0.22284509649869716
Energy: 0.8183898600271194
Energy: -0.1473539253170225
Energy: 0.5789833550796822
Energy: 0.18815115411038785
Energy: 0.5789833550796822

minimum gb energy = -1.0879268306293772 eV
minimum distance =  2.21451440812542 Angstroms
sigma value = 41


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

Energy: 0.16956429161236122
Energy: 0.5887250961955349
Energy: -0.8875255596451048
Energy: 0.5887250961809675
Energy: -0.25802760292513344
Energy: 0.6434931129428003
Energy: -0.46207483958669376
Energy: 0.6434931129443338
Energy: -0.19673995011147938
Energy: 0.5386130959923571
Energy: -0.4092188044405699
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Energy: -0.49217092563260467
Energy: 0.5978060004198368
Energy: -0.45901745427451085
Energy: 0.5978060004183033
Energy: -0.09230477015943574
Energy: 0.6704770616209772
Energy: -1.3221177705870932
Energy: 0.6704770616225105
Energy: -0.7074070746993308
Energy: 0.6033569101287847
Energy: -0.45778126780238626
Energy: 0.6033569101126836
Energy: -0.3273780780066378
Energy: 0.566964339312249
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Energy: 0.5669643393091822
Energy: -0.4294596642925089
Energy: 0.4365796816426931
Energy: -0.4177251949731498
Energy: 0.4365796817154964
Energy: -0.6108989611822374
Energy: 0.14952221109900024
Energy: -0.20785193803996557
Energy: 0.14952351337557324
Energy: -0.7215659574374119
Energy: 0.6138008223681116
Energy: -0.20001151376600282
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Energy: 0.6481743711507378
Energy: -0.1741301579234557
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Energy: -0.4112209429652878
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Energy: 0.6167104210689233
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Energy: -0.0172764011462857
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Energy: 0.07065097475582739
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Energy: -0.2799087655724829
Energy: 0.5619504174247407
Energy: -0.5051826779044338
Energy: 0.5619504174308745
Energy: -0.2260307731613629
Energy: -0.01886092574497903
Energy: -0.47741445467413113
Energy: -0.01886393632912752
Energy: -0.24360647060200163
Energy: 0.6037689293856237
Energy: -0.7934890116508114
Energy: 0.6037689295082636
Energy: -0.14993399520498826
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Energy: -0.5283587016254174
Energy: 0.25194928235371655
Energy: -0.3675756776334701
Energy: 0.4280853499791172
Energy: -0.537369757965002
Energy: 0.42808534997145004
Energy: 0.071764881371102
Energy: -0.031220003739949008
Energy: -0.6112461324035489
Energy: -0.031220039979605718
Energy: -0.04183033072977177
Energy: 0.6124768006272506
Energy: -0.7717556807954236
Energy: 0.6124768002862009
Energy: -0.23326260734139978
Energy: 0.49447714651817976
Energy: -0.4603963078087134
Energy: 0.49447714665002024
Energy: 0.3737261409048803
Energy: 0.6054099724661082
Energy: -0.5236095865879492
Energy: 0.6054099724599745
Energy: -0.19534255944835893
Energy: 0.6766522096825416
Energy: -0.5710679307713171
Energy: 0.6766522096825416
Energy: -0.03926500838180617
Energy: 0.6398309478133609
Energy: -1.3340897300440706
Energy: 0.6398309478141276
Energy: -0.5193581022735728
Energy: 0.6479241656907885
Energy: -0.49125212201487645
Energy: 0.6479241656884882
Energy: -0.43755709936240006
Energy: 0.6162247580693382
Energy: -0.23111870743135413
Energy: 0.6162247580655046
Energy: -0.19935515231655823
Energy: 0.63052195568939
Energy: -0.6182389181050066
Energy: 0.6305219556932236
Energy: -0.46271003586516923
Energy: 0.6365165729573619
Energy: -0.168276305424358
Energy: 0.636516573016399
Energy: -0.4919012513257501
Energy: 0.6295133022441961
Energy: -0.38911333742699417
Energy: 0.6295133022518633
Energy: -0.5017330267950029
Energy: 0.04357333408661703
Energy: 0.06969921933296355
Energy: 0.033917570933367135
Energy: -0.4650402770711593
Energy: 0.6345622887060524
Energy: -0.18465950313799553
Energy: 0.6345622887045189

minimum gb energy = -1.3340897300440706 eV
minimum distance =  2.20896053698847 Angstroms
sigma value = 15


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

Energy: 0.2461235366824727
Energy: -0.6874664328719865
Energy: -1.420141667519163
Energy: -0.6845810682084315
Energy: -0.6263082859853253
Energy: -0.6975394381215413
Energy: -0.7462820918164575
Energy: -0.5566487004914161
Energy: -0.5870280064135446
Energy: 0.474932774171717
Energy: -1.0517123901331304
Energy: 0.47493277417236646
Energy: -0.7473466248990456
Energy: -0.9557679513548308
Energy: -0.7538774535059516
Energy: -0.9462934336703045
Energy: -0.9696988735628284
Energy: -0.4763480761981621
Energy: -1.825892110927489
Energy: -0.4804781176528564
Energy: -0.960949284642404
Energy: -0.3857785211693599
Energy: -0.770561708453581
Energy: -0.633909412235044
Energy: -0.757867517879036
Energy: -0.7237937833179112
Energy: -1.1268382646188086
Energy: -0.7261407066450101
Energy: -1.014839381703284
Energy: 0.4778358895012148
Energy: -0.7064151011176608
Energy: 0.4778358894986168
Energy: -1.299697320805539
Energy: -0.5479016753382153
Energy: -1.0558131526795211
Energy: -0.6102233205002445
Energy: -1.372428447847957
Energy: -0.6147526289457729
Energy: -0.9793585150699576
Energy: -0.5997586635836568
Energy: -0.8064314574703706
Energy: -0.9640239137611918
Energy: -0.669481867947815
Energy: -0.9759854663538582
Energy: -1.150520746634889
Energy: -0.8971439652025149
Energy: -0.7550336008247318
Energy: -0.9744863280083761
Energy: -1.3483472375157983
Energy: 0.5267878991154193
Energy: -0.47335221602272337
Energy: 0.5267878991134708
Energy: -1.3125977500887878
Energy: -0.6321812822827944
Energy: 0.10474105094921127
Energy: -0.4777939091487088
Energy: -0.8342968643499892
Energy: -0.7575572637586256
Energy: -0.5773175850562674
Energy: -0.6638519998473169
Energy: -1.1698301844387375
Energy: 0.5471099815232164
Energy: -0.7640780873368594
Energy: 0.5471099815219175
Energy: -1.2392422670395906
Energy: 0.5419260299066104
Energy: -0.7658615371035261
Energy: 0.541926029908559
Energy: -0.983063143604665
Energy: -0.732255635624448
Energy: -0.8651982278680065
Energy: -0.727219452740708
Energy: -0.8045170913210838
Energy: 0.5038330877670839
Energy: -0.8472205446628378
Energy: 0.5038330877703315
Energy: -1.1469392624037438
Energy: -0.9610671758717655
Energy: -0.9506681787578478
Energy: -1.0347117481996613
Energy: -0.8553691557866946
Energy: -0.2906435250174532
Energy: -1.0923831527342043
Energy: -0.2913413591922117
Energy: -0.517831285068066
Energy: -0.7243609651729347
Energy: -1.424467122522176
Energy: -0.6522280789620751
Energy: -0.8346596043379093
Energy: 0.5172645037811263
Energy: -1.4300915119964104
Energy: 0.5172645037752809
Energy: -0.7504821590239803
Energy: 0.5254901564991118
Energy: -0.7452202349807086
Energy: 0.5254901564991118
Energy: -0.0038059791760719566
Energy: 0.017777138071482283
Energy: -1.5783411909620617
Energy: -0.18581832434066528
Energy: -0.5048098925876437
Energy: -0.32703807292104364
Energy: -1.3495150704942906
Energy: -0.30571776861898764
Energy: 0.10663176499885525
Energy: -0.6022554994689022
Energy: -1.1719447921051744
Energy: -0.7398597510569327
Energy: -0.437729305155182
Energy: -0.3003533446903072
Energy: -0.7571758044074377
Energy: -0.4180513950873248
Energy: -0.006010586797913482
Energy: 0.5982031070871031
Energy: -1.6888940359612479
Energy: 0.5982031070864536
Energy: -0.5535945993987695
Energy: 0.539426499324871
Energy: -1.207153056276688
Energy: 0.5394264993268194
Energy: -0.05819093106663757
Energy: -0.6114159063343677
Energy: -1.0178638619931508
Energy: -0.6241247353869877
Energy: -0.8947865232268785
Energy: -0.6422789930473849
Energy: -0.830444239805884
Energy: -0.5941056097689528
Energy: -1.3121067405359332
Energy: 0.5426170332583593
Energy: -1.020731480277872
Energy: 0.5426170332908351
Energy: -1.256939283119875
Energy: -0.2826201871382789
Energy: -1.249054956199908
Energy: -0.2949702921094045
Energy: -1.4803520303669755
Energy: 0.47432497060485257
Energy: -0.8232903949831655
Energy: 0.4743249706009555
Energy: -1.4207858444885075
Energy: -0.4185637694609256
Energy: -0.21338714795917646
Energy: -0.2892079797369004
Energy: -0.8057653383990457
Energy: -0.48583205932167095
Energy: -0.7664866830418875
Energy: -0.3871241448241611

minimum gb energy = -1.825892110927489 eV
minimum distance =  2.25938615350925 Angstroms
sigma value = 85


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

Energy: 0.5837697375956513
Energy: 0.4680226997175623
Energy: -1.1336836208777625
Energy: 0.46802269971812566
Energy: 0.4647786372427997
Energy: 0.23726591235612787
Energy: -0.1808691427389698
Energy: 0.2372651567592474
Energy: 0.5402984334967849
Energy: 0.5020377757179638
Energy: -0.5925595743830268
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Energy: -0.05473590278646646
Energy: 0.28701051058745203
Energy: -0.18389874302532475
Energy: 0.2870105084252476
Energy: 0.12035046825579876
Energy: 0.41132760993583845
Energy: -0.5294888680033294
Energy: 0.41132760993696504
Energy: -0.07231208882174375
Energy: 0.225888123520192
Energy: -0.06308723622498882
Energy: 0.22539638622227592
Energy: 0.008446506114584572
Energy: 0.4809809641878389
Energy: -0.357930827181894
Energy: 0.48098096418727565
Energy: -0.13586675082715852
Energy: 0.3002947052822051
Energy: 0.06957214211227196
Energy: 0.3002946992730375
Energy: 0.021593940652366195
Energy: 0.43583122300053745
Energy: -0.46005744368001583
Energy: 0.43583122299997407
Energy: -0.2266828390621929
Energy: 0.46832770344390495
Energy: 0.028229442476765555
Energy: 0.4683277034444683
Energy: -0.14290291190379414
Energy: 0.2869744154883148
Energy: -0.1337737574806879
Energy: 0.2869756915246646
Energy: -0.6130531417001107
Energy: 0.26188737383693556
Energy: 0.16742852027137195
Energy: 0.2618871315210919
Energy: 0.010136876991273101
Energy: 0.4438621054993249
Energy: 0.01898621285971079
Energy: 0.44386210537882403
Energy: -1.0643897735661676
Energy: 0.46082840341072734
Energy: 0.08250027047771552
Energy: 0.4608284034079107
Energy: -0.061066390959307916
Energy: 0.46787290227701706
Energy: 0.28935252865731603
Energy: 0.46787290221563993
Energy: -0.4980744806822815
Energy: 0.4586099498665741
Energy: 0.44703777118888416
Energy: 0.45860994987051745
Energy: 0.02003999762578174
Energy: 0.46024579923708664
Energy: 0.6408172781003465
Energy: 0.46024579923708664
Energy: -0.7735272669293713
Energy: 0.43348215201123974
Energy: 0.1033085783431667
Energy: 0.43348215200504314
Energy: -0.03558241816574475
Energy: 0.2275988568675453
Energy: 0.03494274895949502
Energy: 0.22449041305187692
Energy: -0.4545837454226033
Energy: 0.44660305338459516
Energy: 0.16085518430355067
Energy: 0.4466030534279458
Energy: 0.01958230900850094
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Energy: -0.16930853793145226
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Energy: -0.32040615354103996
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Energy: -0.13485236008878057
Energy: 0.2990337560142207
Energy: 0.059235895702753866
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Energy: -0.5723147659633285
Energy: 0.2775239709592978
Energy: 0.304625097300881
Energy: 0.47922697117998925
Energy: 0.07100224002762542
Energy: 0.4792269711833692
Energy: 0.10482724790634676
Energy: 0.48014560025028835
Energy: -1.0452866560374472
Energy: 0.4801456002469084
Energy: 0.42615591332327063
Energy: 0.25913821373154244
Energy: -0.10233817169965878
Energy: 0.2591236652958682
Energy: 0.5831245539233495
Energy: 0.2245290337742347
Energy: -0.5659286867511325
Energy: 0.2245144116142573
Energy: 0.47134935466855893
Energy: 0.4798491367145692
Energy: 0.0693640790712609
Energy: 0.4798491367140059
Energy: 0.09558380230237505
Energy: 0.46216454632538767
Energy: -1.0832784329102532
Energy: 0.46216454632595094
Energy: 0.3788345282727646
Energy: 0.4572974301798611
Energy: -0.11176552413975793
Energy: 0.4572974301663668
Energy: 0.19203671896340088
Energy: 0.44411650793964735
Energy: -0.33415370435558217
Energy: 0.444116505699166
Energy: 0.08460145447529438
Energy: 0.48174864121410704
Energy: -0.1855008298549517
Energy: 0.48174864121410704
Energy: -0.15858654064442435
Energy: 0.46880357866226074
Energy: -0.33048615275899473
Energy: 0.4688035786616974
Energy: 0.04528014763814663
Energy: 0.45961043114854055
Energy: -0.135446546197548
Energy: 0.4596104311491039
Energy: 0.004689176483678891
Energy: 0.4891573465370759
Energy: -0.04129452078302325
Energy: 0.4891573465342593
Energy: -0.315771393510776
Energy: 0.3486939412655274
Energy: -0.131182526492248
Energy: 0.3486939754477254
Energy: -0.10054739019728272
Energy: 0.5072553694189655
Energy: 0.22815101498511015
Energy: 0.5072553694065722
Energy: -0.6959638476699787
Energy: 0.24823651509029546
Energy: 0.18817443096749245
Energy: 0.24825902653665707
Energy: -0.03510643115328812
Energy: 0.4875872833338528
Energy: 0.34845654373396445
Energy: 0.48758728333554285

minimum gb energy = -1.1336836208777625 eV
minimum distance =  2.24152684001032 Angstroms
sigma value = 113


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

Energy: 0.017065261254243676
Energy: 0.017757856022572467
Energy: 0.6627536313332175
Energy: 0.017757856020888352
Energy: 0.4535341168553848
Energy: 0.08238434925817904
Energy: -5.340112312457465
Energy: 0.08238434925777005
Energy: 0.017065261254243676
Energy: 0.017757856022572467
Energy: -1.3410800348933927
Energy: 0.017757856020888352
Energy: 0.4535341168528347
Energy: 0.08238434925777005
Energy: -5.340112312457465
Energy: 0.08238434925777005
Energy: 0.017065261254243676
Energy: 0.017757856022139404
Energy: -1.4626690436797478
Energy: 0.017757856020888352
Energy: 0.4535341168528347
Energy: 0.08238434925817904
Energy: -5.340112312457031
Energy: 0.08238434925777005

minimum gb energy = -5.340112312457465 eV
minimum distance =  2.55705201672761 Angstroms
sigma value = 1