Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614960163831712
cohesive_energy=3.540273359443754
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71519271987346e-19, 3.1480047157822197e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.76381587293756e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61301755425658e-19, 5.639036902792739e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671689262593659e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40835841880722e-19, 2.84831757639252e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84601189592846e-20, -1.210229755318044e-19, -3.02069576044458e-19, -5.43416657660316e-19, -8.71540830126882e-19, -1.3221818476187938e-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: 0.013653608040915671
Energy: 0.09635846801349628
Energy: 0.550638292545607
Energy: 0.014092983819035646
Energy: 0.09635846801349628
Energy: 0.532519423245967
Energy: 0.835210651817751
Energy: 0.5325194232085423
Energy: 0.5506382924659139
Energy: 0.835210651815904
Energy: 0.013653608040915671
Energy: 0.09635846801349628
Energy: 0.014092983818408417
Energy: 0.5325194232159297
Energy: 0.09635846801349628
Energy: 0.5325194232551316

minimum gb energy = 0.013653608040915671 eV
minimum distance =  2.50784550832404 Angstroms
sigma value = 1


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

Energy: 1.0769612862928775
Energy: 0.7687595909096986
Energy: 0.7695773756231011
Energy: 0.7066035988682353
Energy: 0.71992693706139
Energy: 0.7762153876212602
Energy: 0.7204441718309116
Energy: 0.7762153876204995
Energy: 0.7698777460945935
Energy: 0.7690921997934408
Energy: 1.1678369976128569
Energy: 0.7690921997949275
Energy: 0.721177304855666
Energy: 0.7196257144234961
Energy: 0.7203751542991159
Energy: 0.7196257144234961
Energy: 1.0014161130502048
Energy: 0.7196383988533376
Energy: 0.7208291047547726
Energy: 0.719638398852577
Energy: 0.7582551948399416
Energy: 0.7706993590059589
Energy: 0.720492222249806
Energy: 0.7706993590067196
Energy: 0.7573715348494989
Energy: 0.7688403822699488
Energy: 1.0008562072205676
Energy: 0.7688403822691879
Energy: 0.757619278597879
Energy: 0.7996974701491341
Energy: 0.7826376731372024
Energy: 0.7996974701498948
Energy: 0.867496284589614
Energy: 0.7880556109035598
Energy: 0.7717016847462796
Energy: 0.788055610905081
Energy: 0.790204174151196
Energy: 0.7930963868198724
Energy: 0.7721557751198194
Energy: 0.7930963868198724
Energy: 0.7689690675563959
Energy: 0.7874864314641824
Energy: 0.8670659321147357
Energy: 0.7874864314634216
Energy: 0.7568274896448631
Energy: 0.7864755996136683
Energy: 0.7809112621226886
Energy: 0.7864755996129078
Energy: 0.7717080368089828
Energy: 0.7685955513864839
Energy: 0.7342368152483051
Energy: 0.7685955513864839
Energy: 0.7560797034577516
Energy: 0.7692558744988299
Energy: 0.7343288246326765
Energy: 0.7692558745003514
Energy: 0.7338571600736541
Energy: 0.7193027857348935
Energy: 0.7193206331535881
Energy: 0.7193027857356541
Energy: 0.7037119441252969
Energy: 0.7204797463965715
Energy: 0.7200986072037295
Energy: 0.7204797463980929
Energy: 0.7687716970203002
Energy: 0.7682982702306433
Energy: 0.7029214666061403
Energy: 0.7682982702291218
Energy: 0.720449891484063
Energy: 0.7198515338439383
Energy: 0.7339542627507052
Energy: 0.7198515338431776
Energy: 0.7198681147958993
Energy: 0.7697442227808593
Energy: 0.7715217517897798
Energy: 0.7697442227732523
Energy: 0.7555069184092245
Energy: 0.7194632303650738
Energy: 0.7212231458205837
Energy: 0.7194632303665951
Energy: 0.7235134378294559
Energy: 0.7210169170781568
Energy: 0.7542694737493725
Energy: 0.7210169170766354
Energy: 0.7210474801879998
Energy: 0.7199741595038744
Energy: 0.7576342700765952
Energy: 0.7199741595038744
Energy: 0.755059834933119
Energy: 0.7702360893484568
Energy: 0.7553745927868024
Energy: 0.7702360893484568
Energy: 0.7825649234815746
Energy: 0.7695429487883577
Energy: 0.7595209656812993
Energy: 0.7695429487875969
Energy: 0.7726124352744685
Energy: 0.7884346865716644
Energy: 0.8673437573890318
Energy: 0.7884346865716644
Energy: 0.7733320853051328
Energy: 0.7858965827761384
Energy: 0.7918014725260645
Energy: 0.7858965827753777
Energy: 0.8684879640718749
Energy: 0.7874642067662819
Energy: 0.7691212749485316
Energy: 0.7874642067647606
Energy: 0.7801227581449873
Energy: 0.7871373847269313
Energy: 0.7569718626931513
Energy: 0.7871373847261705
Energy: 0.7338594186851132
Energy: 0.768459741989973
Energy: 0.771530860474624
Energy: 0.7684597419907335
Energy: 0.7338698320005428
Energy: 0.7690222109366183
Energy: 0.7569652606387453
Energy: 0.7690222109358575
Energy: 0.7188341955767177
Energy: 0.7193803167333543
Energy: 0.733622401569842
Energy: 0.7193803167333543
Energy: 0.7201161126525861
Energy: 0.719985550246175
Energy: 0.7037521161049397
Energy: 0.719985550246175
Energy: 0.7029277840817095
Energy: 0.7216499806413742
Energy: 0.7689149800761377
Energy: 0.7216499806406135

minimum gb energy = 0.7029214666061403 eV
minimum distance =  2.28173230925378 Angstroms
sigma value = 1


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

Energy: 1.2254493428945945
Energy: 0.8108896127051421
Energy: 0.8121580273754136
Energy: 0.7384880828577477
Energy: 0.7548122154453385
Energy: 0.8129283234956789
Energy: 0.7549098375630151
Energy: 0.8129283234930771
Energy: 0.8095118847507718
Energy: 0.8110981735197257
Energy: 1.1257950101170218
Energy: 0.8110981735240623
Energy: 0.7573531074067577
Energy: 0.7552700092849892
Energy: 0.7545248651198844
Energy: 0.7552700092823872
Energy: 0.755141779461691
Energy: 0.7557422336555962
Energy: 0.7571797787841018
Energy: 0.7557422336564635
Energy: 0.7981074678858023
Energy: 0.8428837760491136
Energy: 0.7559979291947387
Energy: 0.8428837760517156
Energy: 0.800280265026289
Energy: 0.8156525840557823
Energy: 0.9492309952210146
Energy: 0.8156525840557823
Energy: 0.7972149927328591
Energy: 0.8162115378749101
Energy: 0.822307050676959
Energy: 0.8162115378775121
Energy: 0.7980079057998405
Energy: 0.8352213271503025
Energy: 0.8084708064946716
Energy: 0.8352213271511697
Energy: 0.8212822804421471
Energy: 0.8412213565048757
Energy: 0.7989841068582808
Energy: 0.8412213565005391
Energy: 0.7753770081225521
Energy: 0.8151628218184269
Energy: 0.8244648597613136
Energy: 0.8151628218218963
Energy: 0.7752530268428711
Energy: 0.8165750781252394
Energy: 0.797184567648662
Energy: 0.8165750781295761
Energy: 0.755913188103699
Energy: 0.755344101784344
Energy: 0.7744450102099336
Energy: 0.755344101785211
Energy: 0.754476471395782
Energy: 0.7549429919830192
Energy: 0.7343759625452256
Energy: 0.7549429919830192
Energy: 0.7333653015710984
Energy: 0.8105680738314757
Energy: 0.8107862775954243
Energy: 0.8105680738306082
Energy: 0.7746451807837864
Energy: 0.7550897646377679
Energy: 0.7546586040043598
Energy: 0.7550897646360333
Energy: 0.8111810615549649
Energy: 0.8117473306455172
Energy: 0.7550712033053567
Energy: 0.8117473306498537
Energy: 0.757142340699434
Energy: 0.7554681556997397
Energy: 0.795640000440515
Energy: 0.755468155700607
Energy: 0.7554709446849537
Energy: 0.758127757130453
Energy: 0.7569751014536079
Energy: 0.7581277571278512
Energy: 0.7985173354356879
Energy: 0.7555157905318928
Energy: 0.7553335330829998
Energy: 0.7555157905344946
Energy: 0.797029239539849
Energy: 0.8170521659348334
Energy: 0.7956337778496181
Energy: 0.817052165936568
Energy: 0.7956047569831323
Energy: 0.8164671599295413
Energy: 0.8232187138363185
Energy: 0.816467159926072
Energy: 0.7992612278991631
Energy: 0.8354818557421152
Energy: 0.8084884564299327
Energy: 0.8354818557421152
Energy: 0.7989010882999308
Energy: 0.8344677877729566
Energy: 0.7983791240581878
Energy: 0.8344677877729566
Energy: 0.7753767041229395
Energy: 0.8151430813585209
Energy: 0.824833482403375
Energy: 0.8151430813585209
Energy: 0.7752458112930284
Energy: 0.815673347059818
Energy: 0.7977388731072441
Energy: 0.8156733470589506
Energy: 0.7554687518409686
Energy: 0.7560380964366231
Energy: 0.7738969390312738
Energy: 0.7560380964340213
Energy: 0.754373757224367
Energy: 0.7549431762667911
Energy: 0.7341772690719475
Energy: 0.7549431762745971
Energy: 0.7333057459017636
Energy: 0.7574833738054358
Energy: 0.8111982445907527
Energy: 0.7574833738080377

minimum gb energy = 0.7333057459017636 eV
minimum distance =  2.28820333189608 Angstroms
sigma value = 25


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

Energy: 1.2506465457051834
Energy: 0.8671473708630818
Energy: 0.8679455157760251
Energy: 0.8167562041775853
Energy: 0.8049602564160565
Energy: 0.8600006497610024
Energy: 0.8064149069715987
Energy: 0.8600006497610024
Energy: 0.8676382169969008
Energy: 0.8667177813174219
Energy: 1.1220739313678034
Energy: 0.8667177813204466
Energy: 0.8055776467211057
Energy: 0.861567640403772
Energy: 0.8061519839544737
Energy: 0.8615676404017555
Energy: 0.7825329927339231
Energy: 0.8066631337869856
Energy: 0.8068519800852313
Energy: 0.8066631337839609
Energy: 0.8388631258963729
Energy: 0.9041626233454102
Energy: 0.806477511640538
Energy: 0.9041626233444018
Energy: 0.8445259090933409
Energy: 0.8843991397137608
Energy: 0.9269929070908862
Energy: 0.8843991397157773
Energy: 0.8367563871855717
Energy: 0.8847780480843427
Energy: 0.8349100146654123
Energy: 0.8847780480863592
Energy: 0.908392801314393
Energy: 0.8813155758928499
Energy: 0.8113505559446944
Energy: 0.881315575887809
Energy: 0.8384952451297663
Energy: 0.8812666041474925
Energy: 0.8280309272411507
Energy: 0.8812666041444678
Energy: 0.8122542761836327
Energy: 0.8527085272057475
Energy: 0.8515522244361193
Energy: 0.8527085272067557
Energy: 0.785085624495285
Energy: 0.8238141016823393
Energy: 0.8218868210193074
Energy: 0.823814101681331
Energy: 0.7731664216680171
Energy: 0.7740390421166476
Energy: 0.7644939494943992
Energy: 0.7740390421166476
Energy: 0.7739305532955046
Energy: 0.7655742227227734
Energy: 0.8220758644710162
Energy: 0.7655742227197487
Energy: 0.7823571627829256
Energy: 0.9121442194652066
Energy: 0.9137774203802811
Energy: 0.9121442194662149
Energy: 0.8120396258723269
Energy: 0.822990026288579
Energy: 0.8251511090166519
Energy: 0.8229900262865625
Energy: 0.8055031006657977
Energy: 0.8197209607792388
Energy: 0.7820956349848974
Energy: 0.8197209607812552
Energy: 0.8064565916402583
Energy: 0.8200367314021662
Energy: 0.8253174241915795
Energy: 0.8200367314011578
Energy: 0.9270182019898968
Energy: 0.8799726166728888
Energy: 0.8470001407278218
Energy: 0.8799726166728888
Energy: 0.806141976711541
Energy: 0.8801546962456569
Energy: 0.8438417564957766
Energy: 0.8801546962446486
Energy: 0.8109276677960726
Energy: 0.8850195342419801
Energy: 0.9041387771688668
Energy: 0.8850195342409719
Energy: 0.8116460998092857
Energy: 0.8850041400868591
Energy: 0.8436827193212754
Energy: 0.8850041400868591
Energy: 0.8033673750873683
Energy: 0.8052719291778289
Energy: 0.8123491146170078
Energy: 0.8052719291768207
Energy: 0.8041029009188241
Energy: 0.8052512444005735
Energy: 0.7845257836465904
Energy: 0.805251244398557
Energy: 0.811657014206773
Energy: 0.8371017408247204
Energy: 0.8666230904357288
Energy: 0.8371017408257286

minimum gb energy = 0.7644939494943992 eV
minimum distance =  2.28164690921457 Angstroms
sigma value = 9


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

Energy: 1.0979852156324108
Energy: 0.9073770911754869
Energy: 0.9079675846340826
Energy: 0.7998644411481495
Energy: 0.8400299349035564
Energy: 0.8869058951993564
Energy: 0.840132229603711
Energy: 0.8869058951969508
Energy: 0.9072116144927864
Energy: 0.9073075829089653
Energy: 0.9045346079161332
Energy: 0.9073075829089653
Energy: 0.8350552362349847
Energy: 0.8874449916455345
Energy: 0.8394067599251613
Energy: 0.8874449916455345
Energy: 0.8351804685523389
Energy: 0.8427285443237782
Energy: 0.8384778164617682
Energy: 0.8427285443237782
Energy: 0.8337554832378563
Energy: 0.8421168307966473
Energy: 0.840537536500796
Energy: 0.8421168307990529
Energy: 0.8811703242207083
Energy: 0.9447569114662895
Energy: 0.8392584794443937
Energy: 0.9447569114686951
Energy: 0.8408274608311257
Energy: 0.9413664192579753
Energy: 0.8415911941029336
Energy: 0.9413664192567723
Energy: 0.8401905765810004
Energy: 0.8435052728484201
Energy: 0.7923714652608665
Energy: 0.8435052728484201
Energy: 0.8404556470745566
Energy: 0.8432602765862978
Energy: 0.792487763535081
Energy: 0.8432602765875006
Energy: 0.7906306440476584
Energy: 0.9062826463644188
Energy: 0.9057762362685868
Energy: 0.9062826463668243
Energy: 0.8748885532734594
Energy: 0.8427807000083112
Energy: 0.8403081723728989
Energy: 0.8427807000071085
Energy: 0.9077500563354677
Energy: 0.9070598741968757
Energy: 0.9049040389812386
Energy: 0.9070598742004841
Energy: 0.9070292565695688
Energy: 0.888250214215471
Energy: 0.9056668896069491
Energy: 0.888250214215471
Energy: 0.8355427262877675
Energy: 0.836425387718811
Energy: 0.8395954363142513
Energy: 0.8364253877176082
Energy: 0.8339717840222283
Energy: 0.8429952323891289
Energy: 0.8392173726249538
Energy: 0.8429952323867235
Energy: 0.8729487675297981
Energy: 0.9470157407560121
Energy: 0.8385380079522131
Energy: 0.9470157407572148
Energy: 0.8714412061095278
Energy: 0.944451715364243
Energy: 0.8402250757116482
Energy: 0.9444517153678512
Energy: 0.8400564281577925
Energy: 0.8437791078953143
Energy: 0.7923079316704864
Energy: 0.8437791078941388
Energy: 0.8403097347623132
Energy: 0.8432488545742156
Energy: 0.7926561848195929
Energy: 0.8432488545718101
Energy: 0.7902127267460373
Energy: 0.8343435055484939
Energy: 0.9059004859677848
Energy: 0.8343435055496968

minimum gb energy = 0.7902127267460373 eV
minimum distance =  2.31366127745806 Angstroms
sigma value = 25


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

Energy: 0.987755761436256
Energy: 0.9603783173915891
Energy: 0.9608044004881476
Energy: 0.8240808619293984
Energy: 0.9604266423261928
Energy: 0.8871608497883908
Energy: 0.8397621101742815
Energy: 0.8871608497883908
Energy: 0.9599496498797304
Energy: 0.9601177318990275
Energy: 0.9670533164556805
Energy: 0.9601177318990275
Energy: 0.961097428356103
Energy: 0.8879622718422154
Energy: 0.8393117797213541
Energy: 0.887962271840728
Energy: 0.8349149796519076
Energy: 0.8397254688597853
Energy: 0.8416602168854621
Energy: 0.8397254688642474
Energy: 0.8179851521177891
Energy: 0.8409068410747456
Energy: 0.8372738365295109
Energy: 0.8409068410688295
Energy: 0.8143446225463334
Energy: 0.8392690753772215
Energy: 0.8402768881946047
Energy: 0.8392690753801966
Energy: 0.8149320108570335
Energy: 0.8887098608645202
Energy: 0.8421117600807768
Energy: 0.8887098608660076
Energy: 0.9580570543297503
Energy: 0.958440385112354
Energy: 1.0949060579995515
Energy: 0.9584403851108666
Energy: 0.960832048626828
Energy: 0.8912843005092118
Energy: 0.9552179446637667
Energy: 0.8912843005106994
Energy: 0.9678873654447127
Energy: 0.9595147883951156
Energy: 0.9647783503675954
Energy: 0.9595147883951156
Energy: 0.9573516794589811
Energy: 0.8898167806272492
Energy: 0.9588712626730709
Energy: 0.8898167806272492
Energy: 0.8381255833242147
Energy: 0.8213734550766943
Energy: 0.8350575365446391
Energy: 0.8213734550781816
Energy: 0.8408645465213435
Energy: 0.8396565460034787
Energy: 0.8198885183270459
Energy: 0.8396565460034787
Energy: 0.8401831793652627
Energy: 0.925233212945257
Energy: 0.8149150354204604
Energy: 0.9252332129437695
Energy: 0.8384951004004143
Energy: 0.8390651625242581
Energy: 0.8148786933835452
Energy: 0.8390651625242581
Energy: 1.093466310838947
Energy: 0.8197283241959921
Energy: 0.956851696849862
Energy: 0.8197283241989669

minimum gb energy = 0.8143446225463334 eV
minimum distance =  2.35635132376054 Angstroms
sigma value = 17


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

Energy: 1.355754710313644
Energy: 1.0624955142684227
Energy: 1.0618594666213137
Energy: 0.9732178612715217
Energy: 0.8580009945754792
Energy: 0.9115128644896003
Energy: 0.996618736964519
Energy: 0.9115128644896003
Energy: 0.9058903002905005
Energy: 0.906064824358233
Energy: 1.0627070627853792
Energy: 0.9060648243590753
Energy: 0.9063362263214161
Energy: 0.9069359959741826
Energy: 0.9065773708279448
Energy: 0.9069359959716553
Energy: 0.905793894221746
Energy: 0.9409969601830507
Energy: 0.8423581910337445
Energy: 0.9409969601813658
Energy: 0.9040547017765109
Energy: 0.8984311882022566
Energy: 0.9056601543790549
Energy: 0.8984311882022566
Energy: 0.9631070506525595
Energy: 0.9041143020693195
Energy: 0.902542885694501
Energy: 0.9041143020693195
Energy: 1.1499521664393435
Energy: 0.9083548600676923
Energy: 0.860530741874986
Energy: 0.9083548600668497
Energy: 1.0667420421704992
Energy: 1.058945225686022
Energy: 1.0608619251294331
Energy: 1.0589452256877068
Energy: 1.0561933787328033
Energy: 0.9651660437742917
Energy: 0.9073855446231681
Energy: 0.9651660437751342
Energy: 0.9029884210589413
Energy: 0.8611382917803992
Energy: 0.8549562907068043
Energy: 0.8611382917862962
Energy: 0.9705635849934728
Energy: 0.8572484525538541
Energy: 0.8613342028193629
Energy: 0.8572484525538541
Energy: 0.964058320017306
Energy: 0.8585731021339839
Energy: 0.8592213704347869
Energy: 0.8585731021373535
Energy: 0.9647284464306886
Energy: 0.8565000067188157
Energy: 0.8560636487343561
Energy: 0.8565000067179731
Energy: 1.0596115020819146
Energy: 0.9760900775663475
Energy: 1.1466273104577334
Energy: 0.9760900775663475
Energy: 1.070720678525979
Energy: 1.0605108577678402
Energy: 1.1488685011035646
Energy: 1.060510857769525
Energy: 1.0577628239029007
Energy: 0.9041504360862488
Energy: 0.9048801754551385
Energy: 0.9041504360870911
Energy: 1.0573842973685057
Energy: 0.9042034046247017
Energy: 0.9029045069619639
Energy: 0.9042034046263866
Energy: 0.9045859748709706
Energy: 0.9399968572490134
Energy: 0.9060010715189558
Energy: 0.939996857248171
Energy: 0.9347626088063777
Energy: 0.8976703102494173
Energy: 0.9057090449056573
Energy: 0.8976703102485748
Energy: 0.9036992057047603
Energy: 0.905088810906653
Energy: 1.058669880566705
Energy: 0.9050888109074955
Energy: 0.9051129229584891
Energy: 0.9060905863312987
Energy: 0.963206960067193
Energy: 0.9060905863338259
Energy: 0.9969113463875882
Energy: 0.9679130668607351
Energy: 0.9956181175626312
Energy: 0.9679130668607351
Energy: 1.0596739834166782
Energy: 1.0596902518375846
Energy: 1.059352597176013
Energy: 1.0596902518384268
Energy: 0.8626651159502237
Energy: 0.8577850574260864
Energy: 1.0606084270193183
Energy: 0.8577850574269287
Energy: 0.8619694220631311
Energy: 0.8572019170172087
Energy: 0.9025777672115525
Energy: 0.8572019169995178
Energy: 0.8545762569040776
Energy: 0.8590480555558843
Energy: 0.9733056929899708
Energy: 0.8590480555567267
Energy: 0.8598505516995734
Energy: 0.8576939644054041
Energy: 0.9640784232272571
Energy: 0.8576939644079316
Energy: 0.8582692000397442
Energy: 0.9063961697003771
Energy: 0.9643300756966545
Energy: 0.9063961696986922
Energy: 1.1511087474332096
Energy: 1.0607052637732233
Energy: 1.060761655091356
Energy: 1.0607052637732233

minimum gb energy = 0.8423581910337445 eV
minimum distance =  2.3198010551855 Angstroms
sigma value = 53


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

Energy: 1.2410087295919416
Energy: 0.986093906442904
Energy: 0.984752731593848
Energy: 0.8078975142667082
Energy: 0.9630392018966298
Energy: 0.8606377410930158
Energy: 0.9650741585581535
Energy: 0.8606377410910765
Energy: 0.9824397270561724
Energy: 0.9677401137937224
Energy: 0.9696341426606973
Energy: 0.9677401137956618
Energy: 0.9686713100198165
Energy: 0.8615394644743823
Energy: 0.967288735741507
Energy: 0.8615394644743823
Energy: 0.9759751567514914
Energy: 0.8607817739782965
Energy: 0.8020100851807774
Energy: 0.860781773976357
Energy: 0.9671131001671456
Energy: 0.8622657021283793
Energy: 0.8054633792530107
Energy: 0.8622657021283793
Energy: 1.121917177750114
Energy: 0.9655690742623109
Energy: 0.9639872497311999
Energy: 0.9655690742603715
Energy: 1.1219561345461209
Energy: 0.862458373536302
Energy: 0.9715302061937335
Energy: 0.862458373536302
Energy: 0.9676842300441227
Energy: 0.9670467493155159
Energy: 0.9701096455175632
Energy: 0.9670467493135765
Energy: 0.9631533787696636
Energy: 0.8624692679114394
Energy: 0.9652895911721989
Energy: 0.8624692679114394
Energy: 0.9760941251995413
Energy: 0.8648011575217098
Energy: 0.8068471892929611
Energy: 0.8648011575197706
Energy: 0.9667121524785101
Energy: 0.8610086530475597
Energy: 0.7981366673494612
Energy: 0.861008653049499
Energy: 1.1220640535515318
Energy: 0.8638005310689343
Energy: 0.9708175983448979
Energy: 0.863800531066995

minimum gb energy = 0.7981366673494612 eV
minimum distance =  2.34090129137153 Angstroms
sigma value = 9


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

Energy: 1.209115906282066
Energy: 1.10990775813102
Energy: 1.1129980508378587
Energy: 0.995629204132975
Energy: 0.882588312280838
Energy: 0.8815444905724219
Energy: 1.0793415915288298
Energy: 0.8815444905702685
Energy: 0.8825872359119014
Energy: 0.8824118568138504
Energy: 1.0670733085210236
Energy: 0.882411856815286
Energy: 0.8818370801126776
Energy: 0.8821165513983403
Energy: 1.1513323907055093
Energy: 0.8821165513990581
Energy: 0.8802988029900638
Energy: 0.8810017328966964
Energy: 1.1476152582644044
Energy: 0.8810017328966964
Energy: 0.8803474856829979
Energy: 0.88150047038004
Energy: 1.1529532996021512
Energy: 0.8815004703807577
Energy: 1.0803736294387016
Energy: 1.0678307311001534
Energy: 1.0772273098721468
Energy: 1.0678307310994355
Energy: 1.0776207782715088
Energy: 0.981740561814492
Energy: 1.0691445321172341
Energy: 0.981740561811686
Energy: 0.9330620070665752
Energy: 0.993154631513343
Energy: 0.9544712317521907
Energy: 0.993154631513343
Energy: 0.882152683547517
Energy: 0.9763050703036401
Energy: 1.0685524708169654
Energy: 0.9763050703036401
Energy: 0.932825633803541
Energy: 0.934213907620083
Energy: 1.0164412169933927
Energy: 0.9342139076215186
Energy: 0.9413068689497606
Energy: 0.933066800212495
Energy: 1.1460282352718183
Energy: 0.933066800212495
Energy: 1.080918133819968
Energy: 0.9330163235608705
Energy: 0.9470012146329122
Energy: 0.9330163235623061
Energy: 1.0840626557076518
Energy: 0.9320494906216391
Energy: 0.9327233460305399
Energy: 0.9320494906209212
Energy: 1.0692332237338644
Energy: 0.9447282226097052
Energy: 0.9367574718069976
Energy: 0.9447282226075517
Energy: 0.9878791007418621
Energy: 0.992478902416682
Energy: 0.9377970593348043
Energy: 0.9924789024173998
Energy: 1.070343333699006
Energy: 0.8822373716763232
Energy: 0.9354299921765611
Energy: 0.8822373716741698
Energy: 1.071761457567185
Energy: 1.0688940928340827
Energy: 1.206662003059152
Energy: 1.0688940928348003
Energy: 1.0843319429320868
Energy: 0.8813708191741962
Energy: 0.9364366779608996
Energy: 0.8813708191749141
Energy: 1.1220168693088812
Energy: 0.8833111064092969
Energy: 0.8826579901428717
Energy: 0.8833111064092969
Energy: 1.158875094678793
Energy: 0.8819111662143061
Energy: 0.8811005683339554
Energy: 0.8819111662128705
Energy: 1.1474484031848986
Energy: 0.8809864306147093
Energy: 0.8798714830820381
Energy: 0.8809864306147093
Energy: 1.1476269576629337
Energy: 0.8815976903810934
Energy: 0.8797818730989049
Energy: 0.8815976903810934
Energy: 1.0780946416477726
Energy: 1.069646485890154
Energy: 1.0812566214079342
Energy: 1.0696464858915893
Energy: 1.0701169952641738
Energy: 0.9838720441532731
Energy: 1.0772350078164554
Energy: 0.9838720441539909
Energy: 0.9423922482995273
Energy: 0.9903157730635
Energy: 0.9320675112671146
Energy: 0.9903157730620644
Energy: 1.0700076801155798
Energy: 0.96315075983795
Energy: 0.8821677752239336
Energy: 0.96315075983795
Energy: 1.0160424152049488
Energy: 0.9247651121632365
Energy: 0.9319865425396472
Energy: 0.9247651121646723
Energy: 1.1471230888468404
Energy: 0.9388119962995134
Energy: 0.9398421888149032
Energy: 0.9388119962980778
Energy: 0.948233474280444
Energy: 0.923577001973118
Energy: 1.0784005462692308
Energy: 0.9235770019738359
Energy: 0.9345995851442206
Energy: 0.9327271115972295
Energy: 1.0655186465366568
Energy: 0.9327271115979473
Energy: 0.9345431445252758
Energy: 0.9261749076731799
Energy: 1.0703243217288043
Energy: 0.9261749076753333
Energy: 0.9397073447364518
Energy: 0.9903494816205077
Energy: 0.9876102394858445
Energy: 0.9903494816197899
Energy: 0.9337974525470162
Energy: 0.8831548838568407
Energy: 0.9904003352934484
Energy: 0.883154883856123
Energy: 1.146812037971353
Energy: 1.0689610279093562
Energy: 1.0700992426216163
Energy: 1.0689610279107917

minimum gb energy = 0.8797818730989049 eV
minimum distance =  2.28389892186004 Angstroms
sigma value = 73


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

Energy: 1.1465227468140944
Energy: 1.0013148539604984
Energy: 1.0569297090293024
Energy: 0.8872351847190797
Energy: 0.8886853419448477
Energy: 0.8895776152668684
Energy: 1.007762420848023
Energy: 0.8895776152680073
Energy: 0.8844425040061835
Energy: 0.8879628129481176
Energy: 0.9957712755759134
Energy: 0.8879628129481176
Energy: 0.8844187983996371
Energy: 0.8885632765438382
Energy: 1.1237444370054928
Energy: 0.888563276544977
Energy: 0.8839573007794378
Energy: 0.8883889655646637
Energy: 1.1159646683572724
Energy: 0.8883889655635249
Energy: 0.8875409144518632
Energy: 0.8883394077015532
Energy: 1.1157910050552133
Energy: 0.8883394077015532
Energy: 0.9982009960770187
Energy: 1.001996107912096
Energy: 1.0059226482481842
Energy: 1.0019961079109572
Energy: 1.0003714183623706
Energy: 0.9558374448084765
Energy: 1.0009058257758698
Energy: 0.9558374448084765
Energy: 0.9994562701533679
Energy: 0.9564124274906477
Energy: 1.0019704997482295
Energy: 0.9564124274917866
Energy: 0.8884805992889288
Energy: 0.9574130453017943
Energy: 0.9993343750105995
Energy: 0.9574130453017943
Energy: 0.9986561585999729
Energy: 0.9550976536965458
Energy: 1.0070939814736382
Energy: 0.9550976536965458
Energy: 1.0065008672952669
Energy: 1.0025774471419868
Energy: 1.1114737650017217
Energy: 1.0025774471419868
Energy: 0.9975530559372113
Energy: 0.8893497632995472
Energy: 0.8884761528056491
Energy: 0.889349763300686
Energy: 0.9971117950862226
Energy: 0.8881826725767004
Energy: 0.8841679621392059
Energy: 0.8881826725778391
Energy: 1.1232281608824495
Energy: 0.8884435623233263
Energy: 0.8845102099361598
Energy: 0.8884435623221875
Energy: 1.1162017681218166
Energy: 0.888199493165157
Energy: 0.884259958247352
Energy: 0.888199493165157
Energy: 1.1138720762205416
Energy: 0.8906128322060191
Energy: 0.8889294985327525
Energy: 0.8906128322060191
Energy: 1.0089936770067507
Energy: 1.0096409337105074
Energy: 0.9983866014163941
Energy: 1.0096409337116463
Energy: 0.9980908211170687
Energy: 0.9544301283930428
Energy: 1.0025969643001411
Energy: 0.9544301283930428
Energy: 0.9982570534251586
Energy: 0.9577469181576354
Energy: 1.0027187661262034
Energy: 0.9577469181576354
Energy: 0.9981106569917836
Energy: 0.9600690492305631
Energy: 0.8857493801098323
Energy: 0.9600690492305631
Energy: 1.111177523161816
Energy: 1.0009142220507767
Energy: 0.9983493174664141
Energy: 1.0009142220507767

minimum gb energy = 0.8839573007794378 eV
minimum distance =  2.28942433212175 Angstroms
sigma value = 7


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

Energy: 1.5687558903415189
Energy: 1.0071752725413827
Energy: 1.0792601418908347
Energy: 0.9174806712950102
Energy: 0.9052663964450945
Energy: 0.9123351612874303
Energy: 1.1180104050262036
Energy: 0.9123351612858197
Energy: 0.9033064483113684
Energy: 0.9053552582863024
Energy: 1.009302848417467
Energy: 0.9053552582830812
Energy: 0.9026741577099968
Energy: 0.9063533689952435
Energy: 1.1187057750828155
Energy: 0.9063533690032963
Energy: 0.9047623792080736
Energy: 0.9061056865630328
Energy: 1.0880624357107673
Energy: 0.9061056865606169
Energy: 1.0209239697390593
Energy: 0.9074941998302983
Energy: 1.0865749780044165
Energy: 0.9074941998319089
Energy: 1.1161546855402726
Energy: 0.9051544767280145
Energy: 0.9075470494201893
Energy: 0.9051544767344203
Energy: 1.1187548580600035
Energy: 0.9088880259574857
Energy: 0.9063312420939785
Energy: 0.9088880259607068
Energy: 1.1169645243351456
Energy: 0.9092154256798144
Energy: 0.9070911760410302
Energy: 0.9092154256886359
Energy: 1.103134707089872
Energy: 0.9074902157304937
Energy: 0.9040545979712274
Energy: 0.9074902157321043
Energy: 1.1217927372891408
Energy: 0.9707345763886162
Energy: 1.0198205335446344
Energy: 0.9707345763958637
Energy: 1.0024841975757623
Energy: 1.0062617535220246
Energy: 1.1153707492541083
Energy: 1.0062617535163876
Energy: 1.002030715056694
Energy: 0.9666379035579135
Energy: 1.006360991202573
Energy: 0.9666379035651611
Energy: 1.0023663726824128
Energy: 0.9663113450898787
Energy: 0.9152295873038359
Energy: 0.9663113450898787
Energy: 1.0079039301355877
Energy: 0.9661639849618648
Energy: 0.9140003103929006
Energy: 0.9661639849594489
Energy: 1.140889872315498
Energy: 1.0059839442165646
Energy: 1.0028307936784424
Energy: 1.0059839442149539
Energy: 1.1444571633668874
Energy: 0.9710392408702996
Energy: 1.1207519129786496
Energy: 0.9710392408743259
Energy: 0.9041890827384909
Energy: 0.9082391620891102
Energy: 1.0104523303026127
Energy: 0.9082391620891102
Energy: 0.9052922269572248
Energy: 0.9091848250771571
Energy: 1.1178597513569344
Energy: 0.9091848250787312
Energy: 0.9066752173516344
Energy: 0.9086311525761777
Energy: 1.1452778432191626
Energy: 0.9086311525802041
Energy: 0.9074533383618248
Energy: 0.9052647053656422
Energy: 1.090782810835358
Energy: 0.9052647053640316
Energy: 1.1204963835123503
Energy: 0.9074980572270683
Energy: 1.0211697051091448
Energy: 0.9074980572214313
Energy: 1.1167141147925164
Energy: 0.9059946890274717
Energy: 0.9043979045106095
Energy: 0.9059946890323034
Energy: 1.1191300971630107
Energy: 0.9064764385408334
Energy: 0.9035037131426904
Energy: 0.906476438542444
Energy: 1.1011534453481349
Energy: 0.9060575113328789
Energy: 0.9033410896586234
Energy: 0.9060575113352948
Energy: 1.0865731910247338
Energy: 0.9115443958231155
Energy: 0.905861916135107
Energy: 0.9115443958295214
Energy: 1.0059886483846074
Energy: 1.006124943070942
Energy: 1.3349531378218353
Energy: 1.006124943073358
Energy: 1.0023139541073256
Energy: 0.9672970679334968
Energy: 1.008721065653709
Energy: 0.9672970679359126
Energy: 1.0104974903751256
Energy: 0.9667669238889242
Energy: 1.002443228056966
Energy: 0.9667669238889242
Energy: 1.006271077536399
Energy: 0.9706181094624292
Energy: 0.9149408874125782
Energy: 0.9706181094559869
Energy: 1.1407621122036786
Energy: 1.0038214468186057
Energy: 1.0028007101307934
Energy: 1.00382144681619

minimum gb energy = 0.9026741577099968 eV
minimum distance =  2.27365691680414 Angstroms
sigma value = 29


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

Energy: 0.8626450477928891
Energy: 0.9366588215861852
Energy: 0.8854886042845024
Energy: 0.8659192626144862
Energy: 0.8829163666074152
Energy: 0.9516566147153409
Energy: 0.879931707640745
Energy: 0.9516566147150604
Energy: 0.876338674575554
Energy: 0.9333877323917639
Energy: 0.8651941723034849
Energy: 0.9333877323928548
Energy: 0.870243109692693
Energy: 0.8788767191069264
Energy: 0.8781467645449833
Energy: 0.8788767191088587
Energy: 0.8761906050953119
Energy: 0.8822823609955327
Energy: 0.8685704030752474
Energy: 0.8822823609854035
Energy: 0.8777968584395353
Energy: 0.9428354692395883
Energy: 0.8700138545692128
Energy: 0.9428354692387779
Energy: 0.8648986266508407
Energy: 0.9313959589939418
Energy: 0.8761368648075083
Energy: 0.9313959589928508
Energy: 0.8793615805754649
Energy: 0.8837655678782602
Energy: 0.875398831435925
Energy: 0.8837655678842755
Energy: 0.8719575328944849
Energy: 0.8795315369732499
Energy: 0.8787161201544781
Energy: 0.879531536973811

minimum gb energy = 0.8626450477928891 eV
minimum distance =  2.31304269224282 Angstroms
sigma value = 5


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

Energy: 1.353483556455566
Energy: 0.857505939051323
Energy: 1.025299405667105
Energy: 0.8366121281845973
Energy: 0.9929992555268565
Energy: 0.8557543913324371
Energy: 1.0045869966621388
Energy: 0.8557543913316764
Energy: 1.0035942532254922
Energy: 0.9279708976398338
Energy: 1.007014410056827
Energy: 0.9279708976353042
Energy: 0.9579496847318812
Energy: 0.9332711170962487
Energy: 0.9943183699430511
Energy: 0.9332711170947272
Energy: 0.9244226028249977
Energy: 0.8536923839988364
Energy: 0.9608780366809494
Energy: 0.8536923839995971
Energy: 0.8544205830002827
Energy: 0.8544901884880769
Energy: 0.9612794363785188
Energy: 0.8544901884873162
Energy: 0.8524217801765029
Energy: 0.8526627715098791
Energy: 0.9951811787453659
Energy: 0.8526627715083578
Energy: 0.8618504178260971
Energy: 0.8570055737276878
Energy: 1.081347831842452
Energy: 0.8570055737231237
Energy: 0.9748930810166336
Energy: 0.8797629675278039
Energy: 1.054658335001062
Energy: 0.8797629675300861
Energy: 1.1489196226981142
Energy: 0.8380109777044039
Energy: 0.8444381583460778
Energy: 0.8380109777059253
Energy: 0.975391853741156
Energy: 0.8356568983141964
Energy: 0.8373827248261971
Energy: 0.8356568983119143
Energy: 1.0688223157242809
Energy: 0.8361644206821776
Energy: 0.835269187391494
Energy: 0.836164420685981
Energy: 1.0780822174115694
Energy: 0.8359954178246312
Energy: 0.8484301149662284
Energy: 0.8359954178170241
Energy: 0.919688045716925
Energy: 0.8274071508951146
Energy: 1.0806781475361775
Energy: 0.8274071509019608
Energy: 0.9155435774188615
Energy: 0.8229837271237797
Energy: 1.1049127705131567
Energy: 0.8229837271199762
Energy: 0.915123308419165
Energy: 0.8238033177993322
Energy: 0.8727450448381223
Energy: 0.8238033178031356
Energy: 0.8813846980099747
Energy: 0.8242208850883345
Energy: 0.8714757382036323
Energy: 0.8242208850913773
Energy: 1.0413623015436568
Energy: 0.826195375529083
Energy: 0.8730043697245277
Energy: 0.8261953755283223
Energy: 1.058238329050114
Energy: 0.9009029449088296
Energy: 0.8764003516796575
Energy: 0.9009029449111118
Energy: 1.0356441438922623
Energy: 0.9683611285557112
Energy: 0.957633619160955
Energy: 0.9683611285526685
Energy: 0.9535299683581318
Energy: 0.8639554246876642
Energy: 0.8760521793028745
Energy: 0.8639554246884249
Energy: 0.9614294452870381
Energy: 0.8603780117265508
Energy: 0.8605125913519353
Energy: 0.8603780117295936
Energy: 1.088654832092142
Energy: 0.8596949090335188
Energy: 0.8607984909748962
Energy: 0.8596949090342794
Energy: 1.0809419205607878
Energy: 0.8623215421678038
Energy: 0.8698916355215596
Energy: 0.8623215421693252
Energy: 1.0710618177077538
Energy: 0.9450965483924636
Energy: 0.8795177626892896
Energy: 0.9450965483894208
Energy: 0.8340998018261025
Energy: 0.8323899626909845
Energy: 1.149204023033768
Energy: 0.832389962692506
Energy: 0.8342481060284904
Energy: 0.8308494151765554
Energy: 0.8819632223642039
Energy: 0.8308494151818803
Energy: 0.829270638256433
Energy: 0.8314013439581409
Energy: 0.9376341918496226
Energy: 0.831401343962705
Energy: 0.8291717425497701
Energy: 0.8302199929185764
Energy: 1.0794832440159552
Energy: 0.8302199929246619
Energy: 1.1061185642411504
Energy: 0.8775114247890666
Energy: 0.8791051691203163
Energy: 0.8775114247913486
Energy: 1.0792625213221423
Energy: 0.8536381749559153
Energy: 0.8571577141924064
Energy: 0.8536381749521119
Energy: 0.9936949741924866
Energy: 0.8529268159623651
Energy: 0.8566208622517707
Energy: 0.8529268159616044
Energy: 0.8627461610237616
Energy: 0.8523352866307636
Energy: 0.8526598617023691
Energy: 0.8523352866261996

minimum gb energy = 0.8229837271199762 eV
minimum distance =  2.26785291369098 Angstroms
sigma value = 1


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

Energy: 1.343533782663307
Energy: 0.8052444100518003
Energy: 0.9855616347321596
Energy: 0.7744357351583214
Energy: 0.8071487847035126
Energy: 0.8068872872629117
Energy: 1.0126818390451555
Energy: 0.80688728726186
Energy: 1.0134614094390653
Energy: 0.9002239047473404
Energy: 1.015715374698282
Energy: 0.9002239047452607
Energy: 0.8307852753163514
Energy: 0.901120364145186
Energy: 1.0005788864557863
Energy: 0.901120364145186
Energy: 0.8042702402177977
Energy: 0.8032943376301381
Energy: 1.0204202295142724
Energy: 0.8032943376322416
Energy: 0.8024890283353012
Energy: 0.8040721327045826
Energy: 0.996039454975252
Energy: 0.8040721327035308
Energy: 0.8008407185482315
Energy: 0.8025501579851666
Energy: 1.0016547413662047
Energy: 0.8025501579841148
Energy: 0.8107803791290034
Energy: 0.8095860666298617
Energy: 1.1652768152439454
Energy: 0.8095860666309135
Energy: 1.0014041097693087
Energy: 0.8452044218336926
Energy: 1.1649131906438115
Energy: 0.8452044218305372
Energy: 1.0088306287765847
Energy: 0.8102815060517858
Energy: 0.8082426767293203
Energy: 0.8102815060528377
Energy: 1.0026008620840499
Energy: 0.8029247208817635
Energy: 0.8011348833581073
Energy: 0.8029247208848949
Energy: 1.1611703686243022
Energy: 0.8139010507203392
Energy: 0.8034196533507896
Energy: 0.8139010507203392
Energy: 1.1612168436475632
Energy: 0.8035128086159581
Energy: 0.8033634105231648
Energy: 0.8035128086149063
Energy: 0.9998381014812499
Energy: 0.9011733584946805
Energy: 1.0144768211578
Energy: 0.9011733584936288
Energy: 0.8319449533996611
Energy: 0.8990786035403705
Energy: 1.0134732405130993
Energy: 0.8990786035414222
Energy: 0.830942552708933
Energy: 0.8055675160226201
Energy: 1.0026512919650845
Energy: 0.8055675160236718
Energy: 0.8030023259157448
Energy: 0.8042856947547049
Energy: 1.0099808974483142
Energy: 0.8042856947536531
Energy: 0.8209740340611641
Energy: 0.8089904112007195
Energy: 0.9996451667886275
Energy: 0.8089904112028229
Energy: 0.8009842388742301
Energy: 0.803136978986316
Energy: 1.1651113556463732
Energy: 0.8031369789852641
Energy: 0.804761038000845
Energy: 0.815931775194982
Energy: 1.1654043399997378
Energy: 0.8159317751928784
Energy: 1.0097592252422405
Energy: 0.8416609997205495
Energy: 1.0025596397622876
Energy: 0.8416609997205495
Energy: 1.0109625372749564
Energy: 0.8054995668453192
Energy: 0.8078093017058062
Energy: 0.8054995668495264
Energy: 1.0016880806328694
Energy: 0.8030900973357156
Energy: 0.8028850238335743
Energy: 0.8030900973346637
Energy: 1.1615305539380696
Energy: 0.8037435896760219
Energy: 0.8023051719826393
Energy: 0.8037435896749702

minimum gb energy = 0.7744357351583214 eV
minimum distance =  2.28922186289415 Angstroms
sigma value = 17


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

Energy: 1.4512198318409164
Energy: 0.8016682229272124
Energy: 0.9871718049788577
Energy: 0.7778794386896756
Energy: 0.796620483455672
Energy: 0.7986390930204533
Energy: 0.9290360185433694
Energy: 0.7986390930224037
Energy: 1.0328157170891963
Energy: 0.7953547323117846
Energy: 0.9562835980859817
Energy: 0.7953547323104844
Energy: 1.0402666470884447
Energy: 0.8422607040303814
Energy: 0.9198261625410592
Energy: 0.8422607040323316
Energy: 0.9027549165109837
Energy: 0.7768927202309076
Energy: 1.0483111315357414
Energy: 0.7768927202302576
Energy: 0.7778244546032883
Energy: 0.7767836848173644
Energy: 1.0356229721306098
Energy: 0.7767836848186646
Energy: 0.7775533532188422
Energy: 0.7763695869488897
Energy: 0.814087621580676
Energy: 0.7763695869495398
Energy: 0.7849875977443065
Energy: 0.7786324647729866
Energy: 0.9125533608404713
Energy: 0.7786324647710363
Energy: 1.045100466374309
Energy: 0.7795307332791029
Energy: 1.0316237305104357
Energy: 0.7795307332797531
Energy: 0.9650498623745452
Energy: 0.8453319501786822
Energy: 0.9419532494610298
Energy: 0.8453319501760818
Energy: 1.0407985134338578
Energy: 0.7949588580440415
Energy: 0.8104221574905317
Energy: 0.7949588580466419
Energy: 1.045454876722367
Energy: 0.8105536537039537
Energy: 0.9226138083415577
Energy: 0.8105536537078543
Energy: 1.034454851552468
Energy: 0.7946955672127508
Energy: 0.7951018448993806
Energy: 0.794695567213401
Energy: 0.9308970719916846
Energy: 0.794795333872026
Energy: 0.7968234114293293
Energy: 0.7947953338694258
Energy: 1.0897425238796448
Energy: 0.7973877243866835
Energy: 0.8043972696283185
Energy: 0.797387724384083
Energy: 1.0447341682331783
Energy: 0.7957930482509737
Energy: 0.7985303253165077
Energy: 0.7957930482496736
Energy: 0.7952447575541508
Energy: 0.9025534818951376
Energy: 0.9746579803147287
Energy: 0.9025534818990383
Energy: 0.7946782226196125
Energy: 0.794573101342696
Energy: 1.0449378899944548
Energy: 0.7945731013446463
Energy: 0.8096479406403125
Energy: 0.8013337499523898
Energy: 0.9232701578020028
Energy: 0.8013337499530399
Energy: 0.7966975453359872
Energy: 0.7947469583296707
Energy: 0.9147033253969903
Energy: 0.7947469583277204
Energy: 0.9468461846897496
Energy: 0.7971877013221685
Energy: 0.7959648217219385
Energy: 0.7971877013234687
Energy: 0.9556219512830691
Energy: 0.801045971179008
Energy: 1.0840332745019001
Energy: 0.8010459711796581
Energy: 0.9201007900441802
Energy: 0.8401657811963406
Energy: 1.0916388891491162
Energy: 0.8401657811963406
Energy: 1.0480036244906903
Energy: 0.7779848583997611
Energy: 0.9020159472178875
Energy: 0.77798485839787
Energy: 1.0441379790190422
Energy: 0.7766098849984173
Energy: 0.7769009640598395
Energy: 0.7766098849990675
Energy: 0.9217229006170149
Energy: 0.777312798391301
Energy: 0.7801678695360108
Energy: 0.7773127983919511
Energy: 0.9150361374765784
Energy: 0.7799581348751115
Energy: 0.7859013913930514
Energy: 0.7799581348757616
Energy: 0.9229593228651122
Energy: 0.7793850100965586
Energy: 1.0490849736880752
Energy: 0.7793850100965586
Energy: 0.9290306141842466
Energy: 0.8440958063132087
Energy: 0.9561437802367846
Energy: 0.8440958063138588
Energy: 0.8115855409472625
Energy: 0.7949423114389186
Energy: 1.039301003205652
Energy: 0.7949423114382685
Energy: 0.9206919026814706
Energy: 0.7952660443311932
Energy: 1.0347799488499207
Energy: 0.795266044330543
Energy: 0.7945787082858983
Energy: 0.7948717589171758
Energy: 1.0347157642571563
Energy: 0.7948717589165258
Energy: 0.7945828287337362
Energy: 0.7940718796756897
Energy: 0.9321158763668557
Energy: 0.7940718796763397
Energy: 0.8028264392457647
Energy: 0.79924895672609
Energy: 1.0892916779751718
Energy: 0.79924895672609
Energy: 0.9365188855739383
Energy: 0.8191271889585424
Energy: 1.0445848810220784
Energy: 0.819127188955292
Energy: 1.2870698296039775
Energy: 0.8062501849518297
Energy: 0.7960628262390915
Energy: 0.8062501849518297
Energy: 1.0422450644700376
Energy: 0.7945206195076955
Energy: 0.7951288685658884
Energy: 0.7945206195070454
Energy: 1.0320489362554093
Energy: 0.8011580249111369
Energy: 0.7963829452105088
Energy: 0.8011580249111369

minimum gb energy = 0.7763695869488897 eV
minimum distance =  2.28971891002699 Angstroms
sigma value = 89


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

Energy: 1.5602689596923072
Energy: 0.7275341587896277
Energy: 0.7268907784593017
Energy: 0.7509127337090754
Energy: 0.7269042563906594
Energy: 0.8003424896569197
Energy: 0.7269789283177857
Energy: 0.8003424896586206
Energy: 0.7199643965630086
Energy: 0.8002466299422168
Energy: 0.743687950043121
Energy: 0.8002466299439178
Energy: 0.7206238338581678
Energy: 0.8007068677572703
Energy: 0.7244241023270119
Energy: 0.8007068677572703
Energy: 0.7236991713644567
Energy: 0.7251821293336506
Energy: 0.7385886184144868
Energy: 0.7251821293319496
Energy: 0.7243164149984522
Energy: 0.7242137408364004
Energy: 0.7377617456690706
Energy: 0.7242137408364004
Energy: 0.723599159316671
Energy: 0.7231491660430089
Energy: 0.725792171214087
Energy: 0.7231491660430089
Energy: 0.7261287640552294
Energy: 0.728217357130172
Energy: 0.7183127982709139
Energy: 0.728217357130172
Energy: 0.7284563626799512
Energy: 0.7269241182778498
Energy: 0.7185463999934394
Energy: 0.7269241182778498
Energy: 0.7421630110308781
Energy: 0.8017130428417423
Energy: 0.7273589493698639
Energy: 0.8017130428417423
Energy: 0.7257696692031741
Energy: 0.802607128636312
Energy: 0.7177314256654509
Energy: 0.802607128638013
Energy: 0.7371470255652012
Energy: 0.7239690475413483
Energy: 0.7262591610651721
Energy: 0.7239690475413483
Energy: 0.7398580157300821
Energy: 0.7263069330664851
Energy: 0.7274813167514614
Energy: 0.7263069330647842
Energy: 0.7257223798387892
Energy: 0.722658044616331
Energy: 0.7222044805613204
Energy: 0.7226580446146299
Energy: 0.7182320622280811
Energy: 0.7253953655769382
Energy: 0.7260538702813237
Energy: 0.7253953655769382

minimum gb energy = 0.7177314256654509 eV
minimum distance =  2.31003545769324 Angstroms
sigma value = 13


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

Energy: 1.364333888831572
Energy: 0.6882574610740175
Energy: 0.9049024387380952
Energy: 0.6818820260957945
Energy: 0.8230515451759933
Energy: 0.6867252557698984
Energy: 0.8352687788310014
Energy: 0.686725255775602
Energy: 0.6901168635785367
Energy: 0.6847629458166664
Energy: 0.8473836406149725
Energy: 0.684762945823083
Energy: 0.9991805929306666
Energy: 0.6892133886815275
Energy: 0.8258335248767973
Energy: 0.6892133886808146
Energy: 0.8308326752595178
Energy: 0.6869536810549898
Energy: 0.8273796160626304
Energy: 0.6869536810564156
Energy: 0.828656473527934
Energy: 0.6860565567635507
Energy: 0.8237505795320377
Energy: 0.6860565567585601
Energy: 0.8278800850323299
Energy: 0.6856681243785522
Energy: 0.8241535404257617
Energy: 0.685668124382117
Energy: 0.8286555444807997
Energy: 0.684415522226765
Energy: 0.8449595132950883
Energy: 0.684415522226765
Energy: 0.6836283238199875
Energy: 0.6881468427280342
Energy: 0.8305107950493689
Energy: 0.6881468427201919
Energy: 0.6839067822419135
Energy: 0.6852124144646637
Energy: 0.8283251921118684
Energy: 0.6852124144653766
Energy: 0.6864188092841929
Energy: 0.684582613699007
Energy: 1.3645682278816935
Energy: 0.6845826137061363
Energy: 0.8241894905312558
Energy: 0.6844436408447717
Energy: 0.829139804455328
Energy: 0.6844436408404941
Energy: 0.828907279667318
Energy: 0.7262501262664162
Energy: 0.8237571526670857
Energy: 0.7262501262706937
Energy: 0.8263455496923929
Energy: 0.7282769453690499
Energy: 0.9998509771990376
Energy: 0.7282769453612076
Energy: 0.8348015244318708
Energy: 0.6877971100141241
Energy: 0.8270695232026981
Energy: 0.6877971100169759
Energy: 0.8334079139174808
Energy: 0.6866525046485915
Energy: 0.6913748839825459
Energy: 0.6866525046464527
Energy: 0.8236769936044318
Energy: 0.6852383871545242
Energy: 0.6885880787087991
Energy: 0.6852383871523854
Energy: 0.6962344562510678
Energy: 0.684810031731836
Energy: 0.6871109060338679
Energy: 0.6848100317296971
Energy: 0.9523664903881106
Energy: 0.6880468794172739
Energy: 0.8232701747138405
Energy: 0.6880468794165611
Energy: 0.8274121062803168
Energy: 0.6840002633839407
Energy: 0.850793601589149
Energy: 0.6840002633903571
Energy: 1.0127192395553108
Energy: 0.6855197615376338
Energy: 0.8232090857881148
Energy: 0.6855197615390598
Energy: 0.8276801532108401
Energy: 0.7392768508453622
Energy: 0.8235410733994599
Energy: 0.7392768508446493
Energy: 0.8305979220809617
Energy: 0.6879567130759267
Energy: 0.8272456503598327
Energy: 0.6879567130802042
Energy: 0.690414493051578
Energy: 0.6842047612333905
Energy: 0.8262547500913162
Energy: 0.6842047612283998
Energy: 0.8250103984736156
Energy: 0.6856299640130882
Energy: 0.8347973670609412
Energy: 0.6856299640152271
Energy: 0.6862077112411358
Energy: 0.6842042930251694
Energy: 0.8336317477302075
Energy: 0.6842042930308728
Energy: 0.6844973826548786
Energy: 0.6839103715433784
Energy: 0.8261073691710938
Energy: 0.683910371548369
Energy: 0.6848322426389453
Energy: 0.6878476871798569
Energy: 0.6951614353980139
Energy: 0.6878476871798569
Energy: 0.8227830791675016
Energy: 0.6841145012557784
Energy: 0.9538127932728694
Energy: 0.6841145012515008
Energy: 0.8512790702919929
Energy: 0.729001402426744
Energy: 0.822922435934013
Energy: 0.7290014024274569
Energy: 0.9657065873071395
Energy: 0.7256907607331261
Energy: 1.0139565588415924
Energy: 0.7256907607309874
Energy: 0.8328966738569462
Energy: 0.6856385368006884
Energy: 0.8226320794646944
Energy: 0.685638536807753
Energy: 0.835209444224535
Energy: 0.688541026392999
Energy: 0.6925511759145623
Energy: 0.688541026392999
Energy: 0.9663167930615185
Energy: 0.6839732625064817
Energy: 0.6846094895992226
Energy: 0.6839732625064817
Energy: 0.952186570286388
Energy: 0.6855868428571321
Energy: 0.6894605102690919
Energy: 0.6855868428549934

minimum gb energy = 0.6818820260957945 eV
minimum distance =  2.3009614249638 Angstroms
sigma value = 37


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

Energy: 1.1790431837738342
Energy: 0.6259639446707121
Energy: 0.6249132494443913
Energy: 0.6250989159679479
Energy: 0.8599894247098174
Energy: 0.6241699088619664
Energy: 0.85667208327821
Energy: 0.6241699088619664
Energy: 1.0871598264185918
Energy: 0.7022352249427921
Energy: 0.8634919823638897
Energy: 0.7022352249415654
Energy: 1.0865889695801527
Energy: 0.6250241087732353
Energy: 0.8607059250040401
Energy: 0.6250241087720088
Energy: 0.6337459002640171
Energy: 0.7044090937447754
Energy: 0.8593843706070142
Energy: 0.704409093746002
Energy: 0.7587564827283381
Energy: 0.624609010722112
Energy: 0.8572598662736646
Energy: 0.6246090107196588
Energy: 0.6243981930457131
Energy: 0.6229762034369242
Energy: 0.8596507638535296
Energy: 0.6229762034369242
Energy: 0.6320947797953462
Energy: 0.6235931365939102
Energy: 0.8534395091565893
Energy: 0.6235931365951368
Energy: 0.6241619786077253
Energy: 0.6271467538423873
Energy: 0.8526436803219036
Energy: 0.6271467538423873
Energy: 0.6225372854433798
Energy: 0.6242467424290574
Energy: 0.7562827408419585
Energy: 0.6242467424278308
Energy: 0.6249132494640165
Energy: 0.6340598346307286
Energy: 1.1790431837750608
Energy: 0.6259639447749439
Energy: 0.8566720832769834
Energy: 0.624169908863193
Energy: 0.7561471830451177
Energy: 0.624169908863193
Energy: 0.8634919823638897
Energy: 0.7022352249403389
Energy: 1.0871598264173654
Energy: 0.7022352249415654
Energy: 0.8607059250052667
Energy: 0.6250241087707822
Energy: 1.0865889695813795
Energy: 0.6250241087707822
Energy: 0.8593843706070142
Energy: 0.7044090937447754
Energy: 0.6337459002603374
Energy: 0.704409093746002
Energy: 0.7541800482010331
Energy: 0.6246090107208854
Energy: 0.863422641716776
Energy: 0.6246090107208854
Energy: 0.8596507638633422
Energy: 0.6229762034381507
Energy: 0.6243981930444865
Energy: 0.6229762034406039
Energy: 0.8534395091529096
Energy: 0.6235931365951368
Energy: 0.6320947797965728
Energy: 0.6235931365951368
Energy: 0.8526436771489271
Energy: 0.6271467538264696
Energy: 0.6241619786064987
Energy: 0.6271467538264696
Energy: 0.8614029686740602
Energy: 0.624246742430284
Energy: 0.6225372854433798
Energy: 0.6242467424290574

minimum gb energy = 0.6225372854433798 eV
minimum distance =  2.31517364865575 Angstroms
sigma value = 25


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

Energy: 1.432024279723404
Energy: 0.5588075113420778
Energy: 0.7984242727278724
Energy: 0.5625239398652961
Energy: 0.9511670367259386
Energy: 0.5564433746212664
Energy: 0.7483685508757522
Energy: 0.5564433746212664
Energy: 1.267578068191026
Energy: 0.555322741949078
Energy: 0.751373973058959
Energy: 0.555322741949078
Energy: 0.9729020732080004
Energy: 0.5616725272490748
Energy: 0.7477663372821918
Energy: 0.5616725272490748
Energy: 0.9480790223622774
Energy: 0.6209349123734629
Energy: 0.9499705714006689
Energy: 0.6209349123734629
Energy: 0.9404180802774101
Energy: 0.6179530883793981
Energy: 1.1065628612738836
Energy: 0.6179530883793981
Energy: 0.9430159896994778
Energy: 0.6206575616662358
Energy: 0.948402628717103
Energy: 0.6206575616681514
Energy: 0.7472382650257043
Energy: 0.5611100392778365
Energy: 1.101448243719091
Energy: 0.5611100392768787
Energy: 0.7512554157212535
Energy: 0.5555288838927419
Energy: 1.104584870909235
Energy: 0.5555288838936998
Energy: 0.7522106834600409
Energy: 0.5561984969864099
Energy: 1.1048985666928572
Energy: 0.5561984969873677
Energy: 0.5563455909054295
Energy: 0.5604192323796905
Energy: 1.2028670336032592
Energy: 0.5604192323816061
Energy: 0.5590387455112188
Energy: 0.5560393123729251
Energy: 0.9507512761003549
Energy: 0.5560393123729251
Energy: 0.5572285628467617
Energy: 0.5550971132772088
Energy: 0.9395475886976615
Energy: 0.5550971132781666
Energy: 0.5685668512741543
Energy: 0.5626041934354459
Energy: 0.938710247606806
Energy: 0.5626041934526863
Energy: 0.7516629294062788
Energy: 0.5550921839704746
Energy: 0.9485093240668989
Energy: 0.5550921839704746
Energy: 0.7521717173275849
Energy: 0.5565722761925248
Energy: 0.9430241119390262
Energy: 0.5565722761925248
Energy: 0.9480323177227268
Energy: 0.558037986276185
Energy: 0.9404168425582863
Energy: 0.558037986276185
Energy: 0.764029874387841
Energy: 0.622070169633689
Energy: 0.9478084885301817
Energy: 0.622070169633689
Energy: 1.1036603240357974
Energy: 0.6186847075938696
Energy: 0.9431356575344965
Energy: 0.6186847075938696
Energy: 0.9492098411373654
Energy: 0.6184462283346526
Energy: 0.9408651198799759
Energy: 0.6184462283346526
Energy: 1.2039800618808443
Energy: 0.5594750846704458
Energy: 0.75377775969573
Energy: 0.5594750846714036
Energy: 0.9501208487956126
Energy: 0.5544919101644384
Energy: 0.5559083627983652
Energy: 0.5544919101634807
Energy: 1.1013646595395716
Energy: 0.5583035674808375
Energy: 0.7474952569705632
Energy: 0.5583035674808375
Energy: 1.0999167999971653
Energy: 0.5573275726179723
Energy: 0.5622357343788407
Energy: 0.5573275726189301
Energy: 0.9492615963725815
Energy: 0.5548378971401492
Energy: 0.5554169630740075
Energy: 0.554837897141107
Energy: 1.2603051515975
Energy: 0.5568554680224711
Energy: 0.5606877822365994
Energy: 0.5568554680224711

minimum gb energy = 0.5544919101634807 eV
minimum distance =  2.31449170313603 Angstroms
sigma value = 41


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

Energy: 1.693730964356259
Energy: 0.5111140000706691
Energy: 0.7620885755113258
Energy: 0.519678286353502
Energy: 1.1254965184655408
Energy: 0.5111197560054289
Energy: 0.6753562730906892
Energy: 0.5111197560069993
Energy: 1.139482154764958
Energy: 0.5096946878278618
Energy: 0.6759652996940175
Energy: 0.5096946878270765
Energy: 1.1803114777591512
Energy: 0.5121921203103041
Energy: 0.8186843784962236
Energy: 0.5121921203134451
Energy: 1.1246504092020424
Energy: 0.5089798821687159
Energy: 0.9798582390212509
Energy: 0.5089798821640044
Energy: 1.1857801885014874
Energy: 0.5105656465009104
Energy: 0.9760307148301
Energy: 0.5105656465040513
Energy: 1.1908900763697554
Energy: 0.5640535807789742
Energy: 1.0695825208833665
Energy: 0.5640535807813299
Energy: 0.985098130770845
Energy: 0.5108961596567578
Energy: 1.051315649125706
Energy: 0.5108961596591136
Energy: 0.9044182389376766
Energy: 0.5102627757415025
Energy: 1.2537802950516006
Energy: 0.5102627757461783
Energy: 0.9024927354653783
Energy: 0.5102543847376504
Energy: 1.1112658976137084
Energy: 0.5102543847352947
Energy: 0.6713675915939388
Energy: 0.5083144955190156
Energy: 1.4941177040673714
Energy: 0.508314495510378
Energy: 0.6733198897873746
Energy: 0.5073301815455312
Energy: 1.1117213643033446
Energy: 0.5073301815447459
Energy: 0.6620481952637979
Energy: 0.506852574560502
Energy: 1.1838737556128873
Energy: 0.5068525745659987
Energy: 0.5985375932282716
Energy: 0.5099829091662039
Energy: 1.1266764897207933
Energy: 0.5099829091646335
Energy: 0.5920190874284594
Energy: 0.5079988505624222
Energy: 1.122733552002942
Energy: 0.5079988505663484
Energy: 0.5949672063959633
Energy: 0.5071000498371158
Energy: 1.1140611665508602
Energy: 0.50710004983476
Energy: 0.7542742352056103
Energy: 0.5100678504312952
Energy: 1.113194885465663
Energy: 0.5100678504320805
Energy: 0.7586731699809103
Energy: 0.5046247133414201
Energy: 1.1170546959052816
Energy: 0.504624713340635
Energy: 0.7530981899841638
Energy: 0.5075324267659049
Energy: 1.1870933910221335
Energy: 0.5075324267659049
Energy: 0.9662651719407086
Energy: 0.5056456338864938
Energy: 1.1850754780992738
Energy: 0.5056456338864938
Energy: 1.031639978832489
Energy: 0.5602945643195751
Energy: 1.1133443163451813
Energy: 0.5602945643195751
Energy: 0.9659297865644412
Energy: 0.5052877244604003
Energy: 1.1918860810140048
Energy: 0.5052877244580446
Energy: 1.2586943492686715
Energy: 0.5601397520046811
Energy: 1.1835762198579916
Energy: 0.5601397520007906
Energy: 1.050656778691465
Energy: 0.5617088162820635
Energy: 0.9761234807655774
Energy: 0.5617088162867749
Energy: 1.1236777046011421
Energy: 0.5650165327376704
Energy: 0.9327160850368222
Energy: 0.5650165327415966
Energy: 1.324368729051824
Energy: 0.5111886794939483
Energy: 0.9746594616733143
Energy: 0.5111886794970892
Energy: 1.184945337353176
Energy: 0.5134342368047888
Energy: 0.6730027381218311
Energy: 0.5134342368040036
Energy: 1.1244981623293981
Energy: 0.5090492273972436
Energy: 0.6790658166084562
Energy: 0.5090492273988141
Energy: 1.1262152328398893
Energy: 0.5133908499685595
Energy: 0.6776479864659378
Energy: 0.5133908499646334
Energy: 1.3232023146335485
Energy: 0.5124289454885372
Energy: 0.5186968742590155
Energy: 0.5124289454869667
Energy: 1.125689302251583
Energy: 0.5092438025793355
Energy: 0.5100072761644903
Energy: 0.5092438025824764
Energy: 1.1856579396020994
Energy: 0.5114745823332763
Energy: 0.5190527618788661
Energy: 0.5114745823332763

minimum gb energy = 0.504624713340635 eV
minimum distance =  2.30853060024461 Angstroms
sigma value = 15


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

Energy: 1.3680381371059724
Energy: 0.4712264176381149
Energy: 0.723849389743405
Energy: 0.47625656247122194
Energy: 1.2435275731663804
Energy: 0.4684666789954917
Energy: 0.6058075154621377
Energy: 0.4684666789954917
Energy: 1.4750869911622626
Energy: 0.46803314420130065
Energy: 0.6096379115781893
Energy: 0.46803314420462666
Energy: 1.2463066506488012
Energy: 0.4708791704388169
Energy: 0.758325482061723
Energy: 0.47087917044081257
Energy: 1.2412128120854211
Energy: 0.4654825845216157
Energy: 0.8741549793032983
Energy: 0.46548258452028524
Energy: 1.2401604509117863
Energy: 0.4660878252668105
Energy: 0.8696877832220957
Energy: 0.46608782526348436
Energy: 0.9966260526470432
Energy: 0.4721635917833368
Energy: 1.1156779580951437
Energy: 0.4721635917846672
Energy: 1.1193341048569705
Energy: 0.5127706174281744
Energy: 0.8753096463514449
Energy: 0.5127706174288397
Energy: 0.9952452144759938
Energy: 0.5103056928463438
Energy: 1.1145696897434205
Energy: 0.5103056928456786
Energy: 0.9941441233293639
Energy: 0.6187786818419524
Energy: 1.2436636520834616
Energy: 0.618778681843948
Energy: 0.8756453764934697
Energy: 0.47035030937688876
Energy: 1.209771287903205
Energy: 0.4703503093748931
Energy: 0.7510810253615761
Energy: 0.46539458303108416
Energy: 1.3541217645388808
Energy: 0.46539458303174946
Energy: 0.870370690706627
Energy: 0.46600195151440355
Energy: 1.3560266656752622
Energy: 0.4660019515157339
Energy: 0.6133098994970336
Energy: 0.47078320451280353
Energy: 1.124963957399588
Energy: 0.4707832045154644
Energy: 0.6086719760997193
Energy: 0.46651743750186436
Energy: 1.240806603037489
Energy: 0.46651743750319474
Energy: 0.6112797137982028
Energy: 0.47025351409489957
Energy: 1.3563186891318055
Energy: 0.4702535140955648
Energy: 0.4738078568650222
Energy: 0.4698931470765653
Energy: 1.3621843061917447
Energy: 0.46989314707856095
Energy: 0.4659860643607703
Energy: 0.4661153506823622
Energy: 1.2396306927118153
Energy: 0.466115350681697
Energy: 0.4715122754718017
Energy: 0.4696128904725149
Energy: 1.241743245529774
Energy: 0.4696128904731801
Energy: 0.6119699811819715
Energy: 0.4710853317027621
Energy: 1.2428161585220407
Energy: 0.4710853317014317
Energy: 0.6071791294997184
Energy: 0.46658668613956894
Energy: 1.2399196292442798
Energy: 0.46658668614023413
Energy: 0.6133722362644941
Energy: 0.4700604275422749
Energy: 1.2453834322777606
Energy: 0.4700604275429401
Energy: 0.8693450739156593
Energy: 0.46641259625942444
Energy: 1.2370617139747928
Energy: 0.466412596258094
Energy: 0.8776321883196143
Energy: 0.4654019758933897
Energy: 1.240832990318851
Energy: 0.4654019758927246
Energy: 0.8763776344682056
Energy: 0.46985840797480743
Energy: 1.0489388368404933
Energy: 0.4698584079754726
Energy: 1.117959621956526
Energy: 0.6209008375538073
Energy: 1.2440023948827446
Energy: 0.6209008375551377
Energy: 0.8718560089626131
Energy: 0.510831827016285
Energy: 1.115582084248234
Energy: 0.5108318270122938
Energy: 1.1203411422469718
Energy: 0.5133453449453643
Energy: 1.0026171175527365
Energy: 0.5133453449440339
Energy: 1.1202388311849234
Energy: 0.46843990428664245
Energy: 1.1161531134787934
Energy: 0.46843990425803844
Energy: 1.1165468231975044
Energy: 0.4664085820400834
Energy: 0.8703733999564426
Energy: 0.4664085820380877
Energy: 1.239677346554999
Energy: 0.4653638601878938
Energy: 0.7509235244586918
Energy: 0.46536386019055453
Energy: 1.1234988924320983
Energy: 0.4719363653571989
Energy: 0.8762870678809815
Energy: 0.4719363653545381
Energy: 1.3566166976848542
Energy: 0.4681585087145337
Energy: 0.6111273547279745
Energy: 0.4681585087165293
Energy: 1.2402837699377272
Energy: 0.46793691516658814
Energy: 0.6097135324707186
Energy: 0.46793691516658814
Energy: 1.2357863068956558
Energy: 0.46939585527276845
Energy: 0.4750398374803444
Energy: 0.4693958552767597
Energy: 1.2428088855094719
Energy: 0.4695437774697594
Energy: 0.4677133628860055
Energy: 0.4695437774690942
Energy: 1.2496665074059874
Energy: 0.4697838056571847
Energy: 0.4690121316883775
Energy: 0.4697838056551891

minimum gb energy = 0.4653638601878938 eV
minimum distance =  2.31213029841244 Angstroms
sigma value = 85


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

Energy: 1.4713031029996502
Energy: 0.423013112537383
Energy: 0.42184592419111333
Energy: 0.43870467048813283
Energy: 1.3177786162491838
Energy: 0.4216433845847545
Energy: 0.5436215926764407
Energy: 0.42164338458417755
Energy: 1.3099676711177872
Energy: 0.4210054107466144
Energy: 0.547364752658053
Energy: 0.4210054107466144
Energy: 1.0934741691765957
Energy: 0.42366102428330116
Energy: 0.7752737529440065
Energy: 0.42366102428214725
Energy: 1.3161784543587356
Energy: 0.41984933962377735
Energy: 0.7783441734889359
Energy: 0.4198493396249312
Energy: 1.0978382286146187
Energy: 0.4205952374083657
Energy: 0.7750986858903629
Energy: 0.42059523740951954
Energy: 1.0950726014251628
Energy: 0.4210486109790659
Energy: 0.9948981081527499
Energy: 0.42104861097848895
Energy: 1.2055616138027614
Energy: 0.4206663222373424
Energy: 0.775652504046404
Energy: 0.42066632223965017
Energy: 1.097082298432899
Energy: 0.4209567388706868
Energy: 0.990253647998746
Energy: 0.42095673886780216
Energy: 1.096832038838607
Energy: 0.49378752222381556
Energy: 1.203770366037882
Energy: 0.4937875222255464
Energy: 0.9911060630446331
Energy: 0.42097543125653347
Energy: 1.0593345752648646
Energy: 0.4209754312576873
Energy: 0.8817258519414863
Energy: 0.4206250791243375
Energy: 1.203881341660713
Energy: 0.4206250790839519
Energy: 0.990356273438434
Energy: 0.4201407821377821
Energy: 1.203883132098549
Energy: 0.4201407821377821
Energy: 0.7753067705388816
Energy: 0.4218119688594178
Energy: 0.9873189243099342
Energy: 0.4218119688599947
Energy: 0.663708747590524
Energy: 0.41979703897431775
Energy: 1.3151477279929131
Energy: 0.4197970389754716
Energy: 0.7774854009374613
Energy: 0.4218119198807982
Energy: 1.2011121853394089
Energy: 0.4218119198790674
Energy: 0.5446031493292551
Energy: 0.42484523469518265
Energy: 1.2011403724583138
Energy: 0.42484523469518265
Energy: 0.5426444841288821
Energy: 0.41979533169981376
Energy: 1.3147851866856064
Energy: 0.4197953316992369
Energy: 0.5435034281152937
Energy: 0.42023500308318906
Energy: 1.3083537677872306
Energy: 0.4202350030820352
Energy: 0.42289264802842874
Energy: 0.42411318151720534
Energy: 1.308493591441412
Energy: 0.42411318151778227
Energy: 0.4209392377677811
Energy: 0.4201174472051198
Energy: 1.3157489931234916
Energy: 0.42011744720454286
Energy: 0.423987037648067
Energy: 0.4214995814258321
Energy: 1.3060853972331776
Energy: 0.42149958142640903
Energy: 0.5467835264870248
Energy: 0.42225493587567003
Energy: 1.3090711839438915
Energy: 0.4222549358745162
Energy: 0.5446720584429455
Energy: 0.419914732004244
Energy: 1.3170938872564029
Energy: 0.419914732004244
Energy: 0.5436021400836237
Energy: 0.4202630122893419
Energy: 1.0936001373076385
Energy: 0.42026301228876495
Energy: 0.774775390999619
Energy: 0.42030704688349646
Energy: 1.3102389248464041
Energy: 0.4203070468823426
Energy: 0.776862508920272
Energy: 0.4202064846603321
Energy: 1.3101297214351235
Energy: 0.42020648466321675
Energy: 0.7753532720470673
Energy: 0.42237312564468793
Energy: 1.0953880096729434
Energy: 0.42237312564526486
Energy: 0.9906288586031765
Energy: 0.42001060454620276
Energy: 1.318355558144036
Energy: 0.42001060454735667
Energy: 0.9919972354811325
Energy: 0.4209002932421412
Energy: 1.097733069574477
Energy: 0.42090029324156425
Energy: 1.104803577371094
Energy: 0.49268681518596447
Energy: 0.8798240554444663
Energy: 0.49268681518769525
Energy: 0.9891746954665384
Energy: 0.49252007017691396
Energy: 1.1042770277962688
Energy: 0.492520070176337
Energy: 1.2058967201176938
Energy: 0.4208478010171845
Energy: 0.8824595258895973
Energy: 0.4208478010990832
Energy: 1.3153853071088448
Energy: 0.4198058569489016
Energy: 0.8839592120888922
Energy: 0.41980585695005546
Energy: 1.056280485080408
Energy: 0.42341046834341495
Energy: 0.7751822614878314
Energy: 0.42341046834226104
Energy: 1.315065069206888
Energy: 0.42006455547396704
Energy: 0.7781252119127123
Energy: 0.4200645554780056
Energy: 1.3111894129025456
Energy: 0.42044916370026775
Energy: 0.7749005173332455
Energy: 0.42044916370026775
Energy: 1.2013019334103037
Energy: 0.42005455268678366
Energy: 0.5438063944244047
Energy: 0.42005455268678366
Energy: 1.3166854678218618
Energy: 0.41981390763144805
Energy: 0.5448055965018588
Energy: 0.41981390763144805
Energy: 1.3090571305987921
Energy: 0.42272442385366044
Energy: 0.5476685231379443
Energy: 0.42272442385366044
Energy: 1.1996543911437838
Energy: 0.42429228865236124
Energy: 0.4200448234017399
Energy: 0.42429228865236124
Energy: 1.3156239065398891
Energy: 0.41997801237757026
Energy: 0.42041208202707764
Energy: 0.41997801237699334
Energy: 1.3058626399580817
Energy: 0.42012403890745725
Energy: 0.4226917839831686
Energy: 0.42012403890745725

minimum gb energy = 0.4197953316992369 eV
minimum distance =  2.31777585058644 Angstroms
sigma value = 113


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

Energy: 0.01544729414603229
Energy: 0.37801177285254506
Energy: 1.1903011590083807
Energy: 0.01643932086200659
Energy: 0.90201948100044
Energy: 0.10361524888031347
Energy: 0.9037894089241647
Energy: 0.10361524888031347
Energy: 0.016157170075274077
Energy: 0.10235990746295971
Energy: 0.9026462762004465
Energy: 0.10235990746426561
Energy: 0.017161421346309717
Energy: 0.10436004967716045
Energy: 0.9020158691413518
Energy: 0.104360049677604
Energy: 0.9046208191493987
Energy: 0.10353228618718499
Energy: 0.9049049588314969
Energy: 0.1035322861880474
Energy: 0.015926259587835154
Energy: 0.10207710863475533
Energy: 0.9023572349483254
Energy: 0.1020771086343118

minimum gb energy = 0.01544729414603229 eV
minimum distance =  2.52279892910959 Angstroms
sigma value = 1