Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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=3.548374074697496
cohesive_energy=4.048047252937728
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: 0.016236638755067853
Energy: 0.016479355038698087
Energy: 1.322397033178431
Energy: 0.016479355037396105
Energy: 0.016479355038047098
Energy: 1.4685806375845352
Energy: 0.016479355038047098
Energy: 1.46858063758515
Energy: 1.322397033179082
Energy: 0.016479355038047098
Energy: 0.016236638755067853
Energy: 0.016479355038047098
Energy: 0.016479355037396105
Energy: 1.46858063758515
Energy: 0.016479355037396105
Energy: 1.4685806375858008

minimum gb energy = 0.016236638755067853 eV
minimum distance =  2.39815515054295 Angstroms
sigma value = 1


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

Energy: 1.062307588849338
Energy: 1.309232341304654
Energy: 0.9759266764976108
Energy: 1.3092323413054436
Energy: 0.9688782374114028
Energy: 1.060621401469577
Energy: 0.9585021821488374
Energy: 1.0606214014735247
Energy: 0.9561959928543804
Energy: 1.3181086516482696
Energy: 1.0727354444479862
Energy: 1.318108651646691
Energy: 0.9753993394929631
Energy: 1.0070410794101683
Energy: 0.9462529558474747
Energy: 1.007041079403852
Energy: 0.9808105807235967
Energy: 1.312819561000699
Energy: 1.0355010828780329
Energy: 1.31281956099912
Energy: 0.9228157321607493
Energy: 1.177758029604665
Energy: 0.9325078470190644
Energy: 1.1777580296022967
Energy: 0.96094660716255
Energy: 1.3202494397375355
Energy: 0.9229799512180321
Energy: 1.320249439736746
Energy: 0.8976143905544262
Energy: 1.3102949436596945
Energy: 0.9538242096586506
Energy: 1.310294943660484
Energy: 0.96264772693489
Energy: 0.975092514555238
Energy: 0.97466969025093
Energy: 0.9750925145560274
Energy: 0.9335557147244778
Energy: 1.3213426222603057
Energy: 0.9121172819782152
Energy: 1.321342622262674
Energy: 0.9740634504875333
Energy: 1.0633217899921827
Energy: 0.9617618952579997
Energy: 1.063321789986656
Energy: 0.9606307055604649
Energy: 1.3093033676453645
Energy: 0.9215018350152401
Energy: 1.3093033676485226
Energy: 0.9571001709925514
Energy: 1.3226266225334566
Energy: 0.9598324968676714
Energy: 1.3226266225334566
Energy: 0.9590352430114647
Energy: 1.2188845948439258
Energy: 0.9458123810110157
Energy: 1.2188845948526104
Energy: 1.0311011204808889
Energy: 1.3156898711002845
Energy: 0.9562975397258168
Energy: 1.3156898711002845
Energy: 0.9766505559163514
Energy: 1.3175538878036148
Energy: 0.9569397445841988
Energy: 1.3175538877996673
Energy: 1.0728544543297038
Energy: 1.3180924925662465
Energy: 0.9442988824681413
Energy: 1.3180924925662465
Energy: 0.9580735334023711
Energy: 1.172393388188155
Energy: 0.9578221939358628
Energy: 1.1723933881921025
Energy: 0.9490515408597994
Energy: 1.3089839445949982
Energy: 0.9208286042919885
Energy: 1.3089839445981561
Energy: 0.9584277698479877
Energy: 0.9649041737360075
Energy: 0.9632808909456231
Energy: 0.9649041737360075
Energy: 0.9357589889105515
Energy: 1.3195619168608994
Energy: 0.9230626640239702
Energy: 1.3195619168608994
Energy: 0.9632378029104848
Energy: 0.976425134542748
Energy: 0.9755463823070614
Energy: 0.9764251345451166
Energy: 1.0329526735912042
Energy: 1.3118097656075836
Energy: 0.9479800887409593
Energy: 1.3118097656091625
Energy: 0.9572141608104049
Energy: 1.3201422062075527
Energy: 0.9229524920131316
Energy: 1.3201422062043948
Energy: 0.9210231047752333
Energy: 1.2012060870530887
Energy: 0.9609052420798662
Energy: 1.2012060870562469
Energy: 1.0784699133211506
Energy: 1.3107025800359116
Energy: 0.9324976575517098
Energy: 1.3107025800327534
Energy: 0.9724963859174722
Energy: 1.067578233576217
Energy: 0.9481034071867174
Energy: 1.0675782335714799
Energy: 0.9631569432329482
Energy: 1.3206648419481568
Energy: 1.0702643388546496
Energy: 1.3206648419465776
Energy: 0.9571630192733631
Energy: 1.0589474540964268
Energy: 0.9749467206151514
Energy: 1.0589474540885317
Energy: 1.058060838460605
Energy: 1.3125495917622962
Energy: 0.9621290205048598
Energy: 1.3125495917622962
Energy: 0.982182853165927
Energy: 1.1769665828502074
Energy: 0.9575478553238471
Energy: 1.176966582850997
Energy: 0.9667761907738573
Energy: 1.3201793927847927
Energy: 0.9617170616396935
Energy: 1.3201793927832137
Energy: 0.9802489608389663
Energy: 1.2136169115332245
Energy: 0.9449924562817583
Energy: 1.2136169115300663

minimum gb energy = 0.8976143905544262 eV
minimum distance =  2.24213950262707 Angstroms
sigma value = 1


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

Energy: 1.131807314606556
Energy: 1.3952588592060282
Energy: 1.0459938212683253
Energy: 1.3952588592096293
Energy: 1.0276804877754468
Energy: 1.2500447838992839
Energy: 1.02174111333591
Energy: 1.2500447839019844
Energy: 1.0187489580001157
Energy: 1.032894500860595
Energy: 1.0221599196675584
Energy: 1.032894500860595
Energy: 1.029084449245613
Energy: 1.044671568729601
Energy: 0.98103991094875
Energy: 1.0446715687314014
Energy: 1.027111709019722
Energy: 1.378176137926244
Energy: 1.0371421564455583
Energy: 1.378176137920843
Energy: 1.0054683484610356
Energy: 1.3775930670649474
Energy: 1.0391711593448714
Energy: 1.377593067063147
Energy: 1.0165210695332112
Energy: 1.0304775663830543
Energy: 1.0455174146577568
Energy: 1.030477566382154
Energy: 0.9691905101728525
Energy: 1.3761505830687273
Energy: 1.0386738225383514
Energy: 1.3761505830669267
Energy: 1.024184406387697
Energy: 1.0195827468901912
Energy: 1.0208744131607799
Energy: 1.019582746894692
Energy: 1.0560325442593141
Energy: 1.372756563496714
Energy: 0.9988073838190414
Energy: 1.3727565634949137
Energy: 1.0163354459158098
Energy: 1.1086359833635986
Energy: 1.0178124685210765
Energy: 1.1086359833617985
Energy: 0.9974385082368848
Energy: 1.3981806044648515
Energy: 1.023126623824391
Energy: 1.398180604463051
Energy: 1.0123912143025693
Energy: 1.383935187784909
Energy: 1.0417443586656334
Energy: 1.3839351877858093
Energy: 1.0132573109511844
Energy: 1.2507324149350838
Energy: 1.078358218824144
Energy: 1.2507324149350838
Energy: 1.0119716902085563
Energy: 1.3936758027351588
Energy: 1.0315749355234565
Energy: 1.3936758027387595
Energy: 1.0163086586898245
Energy: 1.2387165164989522
Energy: 1.0359874354327956
Energy: 1.2387165165007525
Energy: 1.0560325100999812
Energy: 1.3733076653389762
Energy: 0.9532262293010504
Energy: 1.3733076653425769
Energy: 1.0239138867098463
Energy: 1.162813051963118
Energy: 1.020628448137219
Energy: 1.1628130519604174
Energy: 0.9692388147600857
Energy: 1.3748626394537
Energy: 1.0391745966595658
Energy: 1.3748626394464984
Energy: 1.01465018260373
Energy: 1.0429851348329962
Energy: 0.9835879589362292
Energy: 1.0429851348311958
Energy: 1.0081056294503847
Energy: 1.3775709792326083
Energy: 1.0663129858352778
Energy: 1.3775709792398096
Energy: 1.0291255004553586
Energy: 1.3772865390305258
Energy: 0.9990514974105846
Energy: 1.3772865390314262
Energy: 1.0284014934177763
Energy: 1.0057978646064187
Energy: 1.0154075106711726
Energy: 1.0057978646064187
Energy: 0.9922675385878721
Energy: 1.383073557463711
Energy: 1.0298429152697444
Energy: 1.383073557465511
Energy: 1.0213371254106263
Energy: 1.1380472966664081
Energy: 1.0218955989409815
Energy: 1.138047296670009
Energy: 1.131807314606556
Energy: 1.3952588592096293
Energy: 1.0459938206294823
Energy: 1.3952588592060282
Energy: 1.0276804877790475
Energy: 1.2500447838992839
Energy: 1.02174111333501
Energy: 1.2500447839037847
Energy: 1.0187489580010158
Energy: 1.0328945008542936
Energy: 1.0221599196684585
Energy: 1.032894500865996
Energy: 1.0290844492438127
Energy: 1.0446715687278005
Energy: 0.9760549048985271
Energy: 1.0446715687341022

minimum gb energy = 0.9532262293010504 eV
minimum distance =  2.26776331839421 Angstroms
sigma value = 25


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

Energy: 1.1612325374451613
Energy: 1.4506726387735391
Energy: 1.0997437309229492
Energy: 1.4506726387735391
Energy: 1.1085128258954358
Energy: 1.3431988538233597
Energy: 1.101644093374036
Energy: 1.3431988538202204
Energy: 1.003647395912801
Energy: 1.5064780331737373
Energy: 1.127790046101137
Energy: 1.5064780331758298
Energy: 1.134759887428546
Energy: 1.1437978555512898
Energy: 1.0446060502535754
Energy: 1.1437978555523363
Energy: 1.0656348247715417
Energy: 1.3186432438374065
Energy: 1.087518780720913
Energy: 1.3186432438363602
Energy: 1.0790013331280641
Energy: 1.3308124370494632
Energy: 1.1084111854166823
Energy: 1.3308124370494632
Energy: 1.1006357580724415
Energy: 1.1570792579740685
Energy: 1.0442645251799514
Energy: 1.1570792579761613
Energy: 1.0511941852160611
Energy: 1.4994646676559245
Energy: 1.0223370484075742
Energy: 1.4994646676538315
Energy: 1.047818302916931
Energy: 1.3201702124195673
Energy: 1.0940996185023673
Energy: 1.3201702124174746
Energy: 1.1288952046623475
Energy: 1.330410545531477
Energy: 1.070887525354837
Energy: 1.3304105455272914
Energy: 1.068001778395732
Energy: 1.38612052050258
Energy: 1.0842720912836858
Energy: 1.386120520498394
Energy: 1.0423207379395527
Energy: 1.4434627665443318
Energy: 1.0841475867962769
Energy: 1.4434627665443318
Energy: 1.1275865010310069
Energy: 1.445597278890232
Energy: 1.0534406082696548
Energy: 1.445597278892325
Energy: 1.066451792998166
Energy: 1.0895969304601825
Energy: 1.0944134682570197
Energy: 1.089596930459136
Energy: 1.0010322132671343
Energy: 1.4966450450983764
Energy: 1.022849019383186
Energy: 1.4966450451015159
Energy: 1.0850466835794697
Energy: 1.1535512028812305
Energy: 1.0645625238500795
Energy: 1.1535512028833235
Energy: 1.0231493320579503
Energy: 1.5107138463241532
Energy: 1.0296089297821944
Energy: 1.5107138463241532
Energy: 1.0441681148924393
Energy: 1.3189039428830327
Energy: 1.1120296526487468
Energy: 1.318903942881986
Energy: 1.1327286526529583
Energy: 1.1631438210461453
Energy: 1.0485403485590503
Energy: 1.1631438210482383
Energy: 1.0996857576898562
Energy: 1.5054601778824883
Energy: 1.1280193178895344
Energy: 1.5054601778835346
Energy: 1.0733774818074333
Energy: 1.2999357333415757
Energy: 1.1007620095050141
Energy: 1.2999357333384365
Energy: 1.1288385546483783
Energy: 1.3324091882743987
Energy: 1.0805681025724334
Energy: 1.332409188277538
Energy: 1.0868677216224623
Energy: 1.2858898239605312
Energy: 1.0933013315173872
Energy: 1.2858898239594847
Energy: 1.0077777958000662
Energy: 1.508143394435734
Energy: 1.1288064278666488
Energy: 1.5081433944346878
Energy: 1.083818407892301
Energy: 1.1427700211881684
Energy: 1.0438106793977546
Energy: 1.1427700211881684

minimum gb energy = 1.0010322132671343 eV
minimum distance =  2.25712337900586 Angstroms
sigma value = 9


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

Energy: 1.2097150804655932
Energy: 1.2086366671164674
Energy: 1.2266959049431474
Energy: 1.2086366671115027
Energy: 1.158174948242517
Energy: 1.3429268245208004
Energy: 1.184066160127937
Energy: 1.3429268245195518
Energy: 1.0983647302893391
Energy: 1.2084931795037723
Energy: 1.1949953227529435
Energy: 1.2084931795037723
Energy: 1.2036303429832336
Energy: 1.3590963326273315
Energy: 1.08675389738713
Energy: 1.35909633262858
Energy: 1.1702388558484411
Energy: 1.3415024893205016
Energy: 1.1375064693252048
Energy: 1.3415024893242466
Energy: 1.0898552201628333
Energy: 1.2084585461486173
Energy: 1.0840815845793206
Energy: 1.2084585461548587
Energy: 1.1684525731908597
Energy: 1.085702356208068
Energy: 1.0863903342849517
Energy: 1.0857023562105648
Energy: 1.1395304251423581
Energy: 1.226874118584483
Energy: 1.0856423691548598
Energy: 1.2268741185832344
Energy: 1.168606238518378
Energy: 1.3429012430703595
Energy: 1.2245121023550913
Energy: 1.3429012430716076
Energy: 1.2082475113900368
Energy: 1.2082474845017617
Energy: 1.0913455639102714
Energy: 1.2082474845042581
Energy: 1.127752056437596
Energy: 1.3586143147493415
Energy: 1.2258250682364282
Energy: 1.3586143147493415
Energy: 1.202424651392152
Energy: 1.3121674522249926
Energy: 1.08546791855338
Energy: 1.312167452222496
Energy: 1.0906170938711848
Energy: 1.2079428597813227
Energy: 1.1814502263913613
Energy: 1.2079428597788258
Energy: 1.1083515411293616
Energy: 1.2242904325987547
Energy: 1.1841521323999473
Energy: 1.2242904325975064
Energy: 1.0906298029470747
Energy: 1.208343487257532
Energy: 1.1396690916081278
Energy: 1.2083434872562837
Energy: 1.2023157682161867
Energy: 1.3121032823809122
Energy: 1.085508830221858
Energy: 1.3121032823809122
Energy: 1.1279145727533155
Energy: 1.3590628139447596
Energy: 1.14867791424707
Energy: 1.3590628139447596
Energy: 1.208151619245685
Energy: 1.2079126849625588
Energy: 1.0867494163458822
Energy: 1.2079126849650554
Energy: 1.1686609129877303
Energy: 1.3427665787502623
Energy: 1.1375975477369045
Energy: 1.3427665787515106
Energy: 1.1396644709010815
Energy: 1.226741952163936
Energy: 1.0856769504479014
Energy: 1.2267419521601912
Energy: 1.168355126369071
Energy: 1.0857532602146096
Energy: 1.0864212183245674
Energy: 1.085753260217106

minimum gb energy = 1.0840815845793206 eV
minimum distance =  2.30741812458345 Angstroms
sigma value = 25


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

Energy: 1.145056499813306
Energy: 1.6118667930747368
Energy: 1.255562804146128
Energy: 1.6118667930716497
Energy: 1.1340466707466896
Energy: 1.291174516025736
Energy: 1.144326775886921
Energy: 1.291174516025736
Energy: 1.1518524390322034
Energy: 1.3784654221541872
Energy: 1.1464131062914302
Energy: 1.3784654221526436
Energy: 1.1329546156797485
Energy: 1.2693406932342888
Energy: 1.2011948619561856
Energy: 1.269340693242008
Energy: 1.2005776355897344
Energy: 1.1373668137201052
Energy: 1.1444712022102397
Energy: 1.137366813721649
Energy: 1.1446347685268432
Energy: 1.3203358174723467
Energy: 1.1491844528865296
Energy: 1.3203358174723467
Energy: 1.1449147142908174
Energy: 1.2694181813025347
Energy: 1.1467477656475094
Energy: 1.2694181813040786
Energy: 1.202219295865125
Energy: 1.6440634254994893
Energy: 1.1347390672703053
Energy: 1.6440634254994893
Energy: 1.1465269696556786
Energy: 1.271371169863457
Energy: 1.1390172349442946
Energy: 1.271371169855738
Energy: 1.2037408360438249
Energy: 1.2590299726991683
Energy: 1.144368452190529
Energy: 1.2590299727007122
Energy: 1.179750360523878
Energy: 1.4025198720914067
Energy: 1.2519162129672519
Energy: 1.4025198720914067
Energy: 1.144706091759912
Energy: 1.1530399891034075
Energy: 1.200244000865915
Energy: 1.1530399891018637
Energy: 1.216252592902804
Energy: 1.3791887790945265
Energy: 1.1526819911705117
Energy: 1.3791887790960704
Energy: 1.1442977054849508
Energy: 1.4249498428663074
Energy: 1.133894056151125
Energy: 1.4249498428647638
Energy: 1.1443770399788042
Energy: 1.4007296101452091
Energy: 1.2003645224299624
Energy: 1.4007296101436655
Energy: 1.1387347181021452
Energy: 1.1677124327996966
Energy: 1.1447056808610274
Energy: 1.1677124327966093
Energy: 1.1464083366335995
Energy: 1.257110547943536
Energy: 1.203193885764006
Energy: 1.257110547943536

minimum gb energy = 1.1329546156797485 eV
minimum distance =  2.31271778615634 Angstroms
sigma value = 17


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

Energy: 1.2637795368488818
Energy: 1.273937014528322
Energy: 1.3756934424947456
Energy: 1.2739370145274476
Energy: 1.2180590011989225
Energy: 1.2662205053650273
Energy: 1.1663402920828865
Energy: 1.2662205053650273
Energy: 1.211951455145715
Energy: 1.3295265365226507
Energy: 1.1618449794389938
Energy: 1.329526536526148
Energy: 1.1679903599898884
Energy: 1.2802435788672504
Energy: 1.1883609697125515
Energy: 1.2802435788672504
Energy: 1.212578992765829
Energy: 1.1727428068520025
Energy: 1.1683260250314444
Energy: 1.172742806852877
Energy: 1.1475719555432138
Energy: 1.1474171955394536
Energy: 1.237682300534838
Energy: 1.147417195528087
Energy: 1.1626445527911629
Energy: 1.2603504696882968
Energy: 1.164169446062807
Energy: 1.2603504696847996
Energy: 1.2343048401651722
Energy: 1.1815111296234313
Energy: 1.1493104130558507
Energy: 1.1815111296286775
Energy: 1.150149341737224
Energy: 1.2870526345921502
Energy: 1.2157843454818262
Energy: 1.2870526345912758
Energy: 1.2482750549391526
Energy: 1.1577623151973688
Energy: 1.1618966950261722
Energy: 1.1577623151929972
Energy: 1.162706183500668
Energy: 1.1387639414269473
Energy: 1.2134636703026378
Energy: 1.1387639414286959
Energy: 1.1503873303400616
Energy: 1.2637482423440942
Energy: 1.1439514242533908
Energy: 1.2637482423458428
Energy: 1.2165880568733387
Energy: 1.1381872150953218
Energy: 1.1388357059917078
Energy: 1.1381872150953218
Energy: 1.160304713961223
Energy: 1.270934347752097
Energy: 1.2107544009893054
Energy: 1.2709343477485997
Energy: 1.1700575216927063
Energy: 1.259086818948288
Energy: 1.1553124366803547
Energy: 1.259086818950911
Energy: 1.2134811766375964
Energy: 1.2952679251975319
Energy: 1.2361500238801464
Energy: 1.2952679251966572
Energy: 1.159443629488549
Energy: 1.2828981440438645
Energy: 1.2823900521119154
Energy: 1.2828981440421157
Energy: 1.2071362939566266
Energy: 1.1592372212062774
Energy: 1.1477876333709554
Energy: 1.1592372212054032
Energy: 1.1590449158279763
Energy: 1.2622617440854096
Energy: 1.2483141465905996
Energy: 1.2622617440819124
Energy: 1.1599468964067219
Energy: 1.2766424092891453
Energy: 1.167011337181553
Energy: 1.276642409294391
Energy: 1.1927135178863824
Energy: 1.1611453663524625
Energy: 1.2118386190420418
Energy: 1.161145366351588
Energy: 1.165626105276244
Energy: 1.3237108499608092
Energy: 1.2511087530198521
Energy: 1.3237108499608092
Energy: 1.2647944291796842
Energy: 1.2723405921102018
Energy: 1.1704093712381027
Energy: 1.272340592108453
Energy: 1.1430705994449957
Energy: 1.2606234026079532
Energy: 1.2156747945083135
Energy: 1.260623402609702
Energy: 1.1399208736649193
Energy: 1.2111284625289964
Energy: 1.2138449077430622
Energy: 1.211128462512384
Energy: 1.2363761396705484
Energy: 1.1390665031431435
Energy: 1.1689218354744513
Energy: 1.1390665031361487
Energy: 1.1586773706209077
Energy: 1.5096138260216359
Energy: 1.2579811029862475
Energy: 1.5096138260233845
Energy: 1.2361611129793557
Energy: 1.147377723665164
Energy: 1.215490086804212
Energy: 1.1473777236712845
Energy: 1.273957743542535
Energy: 1.2817574908295857
Energy: 1.163647057322346
Energy: 1.2817574908278369
Energy: 1.1494258139986295
Energy: 1.2876855257637339
Energy: 1.209420714477304
Energy: 1.287685525766357

minimum gb energy = 1.1381872150953218 eV
minimum distance =  2.30374672053798 Angstroms
sigma value = 53


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

Energy: 1.2312419103603085
Energy: 1.2301840487592204
Energy: 1.3412599446967537
Energy: 1.2301840487592204
Energy: 1.1919485249628698
Energy: 1.2785720548817696
Energy: 1.1791186490394356
Energy: 1.2785720548797566
Energy: 1.0800643500336746
Energy: 1.0730023298499265
Energy: 1.2128697102842365
Energy: 1.0730023298499265
Energy: 1.0809148910697828
Energy: 1.0788792755315837
Energy: 1.1668734462331958
Energy: 1.0788792755315837
Energy: 1.271635909553197
Energy: 1.1779750021064956
Energy: 1.1813456739582455
Energy: 1.177975002104483
Energy: 1.0810977479277544
Energy: 1.0790306246584926
Energy: 1.3412939452523809
Energy: 1.0790306246584926
Energy: 1.1513693195577945
Energy: 1.2785720548817696
Energy: 1.2112013321404755
Energy: 1.2785720548817696
Energy: 1.0800643500356875
Energy: 1.0730023298499265
Energy: 1.2128697102842365
Energy: 1.0730023298499265
Energy: 1.0809148910677697
Energy: 1.0788792755315837
Energy: 1.166521131659151
Energy: 1.078879275529571
Energy: 1.2716359333648808
Energy: 1.2034260179177132
Energy: 1.1813456739602584
Energy: 1.203426017913687
Energy: 1.2312419103603085
Energy: 1.2301840487592204
Energy: 1.3412648781774126
Energy: 1.2301840487592204
Energy: 1.1919485234840521
Energy: 1.2785720548817696
Energy: 1.1668861877088295
Energy: 1.2785720548817696
Energy: 1.0800643500336746
Energy: 1.0730023298519396
Energy: 1.2128697102842365
Energy: 1.0730023298499265

minimum gb energy = 1.0730023298499265 eV
minimum distance =  2.30043599976139 Angstroms
sigma value = 9


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

Energy: 1.1239157276891962
Energy: 1.3198431091688376
Energy: 1.360871651687613
Energy: 1.3198431091680929
Energy: 1.2510824902417736
Energy: 1.1667358944865016
Energy: 1.0789229781257503
Energy: 1.166735894487247
Energy: 1.0950603364354248
Energy: 1.1070276912026602
Energy: 1.0846007005467158
Energy: 1.1070276912078751
Energy: 1.1625643836562252
Energy: 1.269620446395452
Energy: 1.0792157167794207
Energy: 1.2696204463872571
Energy: 1.1671857325930992
Energy: 1.1694535759399958
Energy: 1.0888374661420628
Energy: 1.1694535759452107
Energy: 1.1308555239028781
Energy: 1.1086970046933122
Energy: 1.182265479721533
Energy: 1.1086970046918223
Energy: 1.2763871238309108
Energy: 1.167461162445476
Energy: 1.0785788460948929
Energy: 1.1674611624477107
Energy: 1.0824912165249718
Energy: 1.2458680162982296
Energy: 1.1706335070629486
Energy: 1.2458680163034446
Energy: 1.0971522264788542
Energy: 1.270047891994713
Energy: 1.0815142352201366
Energy: 1.270047891992478
Energy: 1.0950930402512316
Energy: 1.190822422937745
Energy: 1.0790252903959607
Energy: 1.190822422934765
Energy: 1.0837804395239432
Energy: 1.270580681374838
Energy: 1.300598694591993
Energy: 1.2705806813800529
Energy: 1.2434938622408307
Energy: 1.3094024616463353
Energy: 1.0899246789817725
Energy: 1.3094024616411202
Energy: 1.0949753095180972
Energy: 1.1527853840674163
Energy: 1.2178396331456303
Energy: 1.1527853840651814
Energy: 1.1651592110548377
Energy: 1.1524213659444773
Energy: 1.070362792253336
Energy: 1.1524213659444773
Energy: 1.082652474988872
Energy: 1.217157318702608
Energy: 1.1561140580792648
Energy: 1.217157318692923
Energy: 1.089405512011744
Energy: 1.2720718209061723
Energy: 1.1880682706955674
Energy: 1.2720718209031925
Energy: 1.122136011023566
Energy: 1.2148402280917
Energy: 1.0824506254077424
Energy: 1.2148402280924446
Energy: 1.0787906006173464
Energy: 1.1701266650351096
Energy: 1.1627924819867825
Energy: 1.1701266650336197
Energy: 1.2322419175935502
Energy: 1.1147627440462882
Energy: 1.0763800513935058
Energy: 1.1147627440462882
Energy: 1.0896817036830841
Energy: 1.1702581563098788
Energy: 1.1143127401324995
Energy: 1.170258156312114
Energy: 1.1615116159180545
Energy: 1.2669951406585644
Energy: 1.1650913610224287
Energy: 1.2669951406771898
Energy: 1.1208725317238921
Energy: 1.2294107075069065
Energy: 1.0951313500157545
Energy: 1.2294107075091414
Energy: 1.0809299269763073
Energy: 1.2154960306881943
Energy: 1.0973583656445112
Energy: 1.2154960306896845
Energy: 1.3117127559207238
Energy: 1.2443785768361295
Energy: 1.0822181481114914
Energy: 1.2443785768450697
Energy: 1.0786383585290271
Energy: 1.3550903240234287
Energy: 1.3092589500565506
Energy: 1.3550903240204488
Energy: 1.1403448950597328
Energy: 1.1072327783327738
Energy: 1.0941654768295284
Energy: 1.1072327783350087
Energy: 1.1168390460470783
Energy: 1.2834874766859545
Energy: 1.1619889186889674
Energy: 1.2834874766799946
Energy: 1.0748667023700118
Energy: 1.275047211089392
Energy: 1.1627330964403675
Energy: 1.2750472110864122
Energy: 1.1340109401008789
Energy: 1.1118865509301807
Energy: 1.0959546616755307
Energy: 1.1118865509234759
Energy: 1.078888789918813
Energy: 1.3525918446342504
Energy: 1.3031442212728601
Energy: 1.3525918446320158
Energy: 1.3789540577688466
Energy: 1.330592108444033
Energy: 1.0836695261475264
Energy: 1.330592108445523
Energy: 1.0792055932251823
Energy: 1.1713700490418637
Energy: 1.0955565629127832
Energy: 1.1713700490418637
Energy: 1.078756221995052
Energy: 1.2304970136578295
Energy: 1.0954945142917965
Energy: 1.2304970136608093
Energy: 1.16136723678286
Energy: 1.336970632685274
Energy: 1.1629322594814473
Energy: 1.3369706326882538
Energy: 1.0887581199608916
Energy: 1.2444861271355963
Energy: 1.2762959660749513
Energy: 1.2444861271259113

minimum gb energy = 1.070362792253336 eV
minimum distance =  2.28395848315312 Angstroms
sigma value = 73


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

Energy: 1.0876978432234081
Energy: 1.0644989906965894
Energy: 1.4450106349084095
Energy: 1.0644989906954072
Energy: 1.153583799994828
Energy: 1.1407504752154942
Energy: 1.0267840432902309
Energy: 1.1407504752166762
Energy: 1.0219301720667886
Energy: 1.281182144461883
Energy: 1.0389109631943199
Energy: 1.2811821444607008
Energy: 1.0501294203957559
Energy: 1.1855799449291067
Energy: 1.0267701708923131
Energy: 1.185579944927925
Energy: 1.050513965029312
Energy: 1.1758834976397463
Energy: 1.0549239143683604
Energy: 1.1758834976385641
Energy: 1.022375199675664
Energy: 1.3921868213797157
Energy: 1.2924765524312063
Energy: 1.3921868213749877
Energy: 1.232327019737801
Energy: 1.350191181940796
Energy: 1.0260652408411215
Energy: 1.3501911819443422
Energy: 1.0511288591429082
Energy: 1.0717038872406133
Energy: 1.229700112906925
Energy: 1.0717038872394313
Energy: 1.240343625471902
Energy: 1.0278536212395357
Energy: 1.027049500552979
Energy: 1.0278536212395357
Energy: 1.022889880518806
Energy: 1.2150700047679086
Energy: 1.0249873119897528
Energy: 1.2150700047690906
Energy: 1.0556012980129956
Energy: 1.2939268767448744
Energy: 1.240118298618145
Energy: 1.2939268767460563
Energy: 1.1380509761076065
Energy: 1.1708069810903479
Energy: 1.0508897311410992
Energy: 1.1708069810915298
Energy: 1.0256151678000305
Energy: 1.1932517222221384
Energy: 1.2233278517126598
Energy: 1.1932517222221384
Energy: 1.35241351730456
Energy: 1.2158509644743276
Energy: 1.0223256449781684
Energy: 1.2158509644743276
Energy: 1.038580871907938
Energy: 1.2886911476489957
Energy: 1.136215505426877
Energy: 1.2886911476407215
Energy: 1.240495481106006
Energy: 1.0756794774523306
Energy: 1.0513844850940932
Energy: 1.0756794774523306
Energy: 1.0269947810413824
Energy: 1.0354901064861426
Energy: 1.0221666934904203
Energy: 1.035490106483779
Energy: 1.0269877437934867
Energy: 1.0277115192777369
Energy: 1.0227418878510928
Energy: 1.0277115192777369
Energy: 1.0546818596731764
Energy: 1.0764579190562715
Energy: 1.0519379747892261
Energy: 1.0764579190574535
Energy: 1.0272349384694175
Energy: 1.0493382178294126
Energy: 1.2361355357610437
Energy: 1.0493382178294126
Energy: 1.4855757982200826
Energy: 1.0379263677676709
Energy: 1.0223607641821923
Energy: 1.0379263677664887
Energy: 1.0259386184894437
Energy: 1.1761511326051215
Energy: 1.2232714487378298
Energy: 1.1761511326074854

minimum gb energy = 1.0219301720667886 eV
minimum distance =  2.29269838244586 Angstroms
sigma value = 7


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

Energy: 1.1112146477493776
Energy: 1.0503644556521692
Energy: 1.3899249502929851
Energy: 1.0503644556563483
Energy: 1.2161293721930029
Energy: 1.108810350850018
Energy: 0.9978031287924938
Energy: 1.1088103508483464
Energy: 1.029778124353475
Energy: 1.2574108145020753
Energy: 1.042550023334601
Energy: 1.2574108144920455
Energy: 1.0633844387287272
Energy: 1.1363223155187692
Energy: 1.0069617370277086
Energy: 1.1363223155179336
Energy: 1.0303614416610083
Energy: 1.1247940334174096
Energy: 1.0385861767701103
Energy: 1.124794033424096
Energy: 1.0150627681268178
Energy: 1.0746568699688925
Energy: 1.2055092381165589
Energy: 1.0746568699805938
Energy: 1.2143193467590725
Energy: 1.1763512196898822
Energy: 1.0332765049789843
Energy: 1.1763512196882107
Energy: 1.0162685149614028
Energy: 1.0746507585487093
Energy: 1.2876410392437332
Energy: 1.0746507585403513
Energy: 1.231728579463986
Energy: 1.1857453829488307
Energy: 1.0106790604597702
Energy: 1.1857453829379654
Energy: 1.014940617404542
Energy: 1.131826430828209
Energy: 1.0965739584837357
Energy: 1.131826430824866
Energy: 1.072113742338074
Energy: 1.2227099633634573
Energy: 1.0371141651412592
Energy: 1.2227099633668004
Energy: 1.0177032675775712
Energy: 1.1245795218584975
Energy: 1.0346835493721458
Energy: 1.1245795218643482
Energy: 1.0223593490412948
Energy: 1.0226382149915398
Energy: 1.0357976779410671
Energy: 1.0226382149815103
Energy: 1.0421872515320105
Energy: 1.091838206650764
Energy: 1.0345489247026651
Energy: 1.0918382066516
Energy: 1.0139881460647104
Energy: 1.2249387692176428
Energy: 1.2151386194524054
Energy: 1.224938769219314
Energy: 1.4643294911267768
Energy: 1.0653972347971041
Energy: 1.0123713242091332
Energy: 1.0653972348071339
Energy: 1.0138539385932708
Energy: 1.1237221336000751
Energy: 1.103715252387538
Energy: 1.1237221336101049
Energy: 1.015809702396011
Energy: 1.137182863407341
Energy: 1.0349112091280217
Energy: 1.1371828634081769
Energy: 1.0144919006326674
Energy: 1.2226430215769535
Energy: 1.0363767656687457
Energy: 1.222643021574446
Energy: 1.0147832365893672
Energy: 1.1749500573561271
Energy: 1.0350869474235853
Energy: 1.1749500573561271
Energy: 1.0717659433743634
Energy: 1.3155038539712378
Energy: 1.0107460759442908
Energy: 1.3155038539678943
Energy: 1.0154217222660342
Energy: 1.2113687786286957
Energy: 1.117978516676216
Energy: 1.2113687786328748
Energy: 1.1853647174117299
Energy: 1.1632020317564131
Energy: 1.034292041869329
Energy: 1.1632020317681144
Energy: 1.0754003612841971
Energy: 1.0742980648640261
Energy: 1.2056237055393657
Energy: 1.0742980648606828
Energy: 1.013455118087418
Energy: 1.1313688754694389
Energy: 1.024252616475026
Energy: 1.1313688754869906
Energy: 1.064399700508721
Energy: 1.2214230880185921
Energy: 1.044801076954248
Energy: 1.2214230880060553
Energy: 1.0300954187487623
Energy: 1.1390233978164026
Energy: 1.0165201230035104
Energy: 1.1390233978180744
Energy: 1.0633629321704814
Energy: 1.123031095857764
Energy: 0.9980944873032432
Energy: 1.1230310958552567
Energy: 1.0295155396202416
Energy: 1.0509406956338359
Energy: 1.216993557147026
Energy: 1.050940695628821
Energy: 1.2532486651390555
Energy: 1.0167645425944676
Energy: 1.0055348228648069
Energy: 1.0167645425944676
Energy: 1.0308888949034118
Energy: 1.0503749411777685
Energy: 1.3063495102987392
Energy: 1.0503749411769328

minimum gb energy = 0.9978031287924938 eV
minimum distance =  2.2851744614062 Angstroms
sigma value = 29


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

Energy: 1.0428779682005858
Energy: 1.1832352836312428
Energy: 1.0695041738133184
Energy: 1.1832352836317925
Energy: 0.8632329529933289
Energy: 0.8853554339597707
Energy: 0.8874673183072826
Energy: 0.8853554339597707
Energy: 1.0189579999760323
Energy: 1.1131308570066982
Energy: 0.941901999798995
Energy: 1.1131308570058247
Energy: 0.8871075223744458
Energy: 0.9683683399245754
Energy: 0.8876378196906397
Energy: 0.9683683399222788
Energy: 0.8885245414843264
Energy: 1.088166141870239
Energy: 0.9665301848546431
Energy: 1.0881661418708215
Energy: 0.9679438703823057
Energy: 1.032587863142735
Energy: 0.96863146225264
Energy: 1.0325878631438672
Energy: 0.9408652988234685
Energy: 0.9414549977227593
Energy: 0.8886296622418808
Energy: 0.9414549977241827
Energy: 1.0033906259222578
Energy: 1.0866244380093464
Energy: 0.887811414055817
Energy: 1.0866244380090553
Energy: 1.0165231627730746
Energy: 1.033730580976486
Energy: 1.0191456847173481
Energy: 1.033730580975063

minimum gb energy = 0.8632329529933289 eV
minimum distance =  2.3407151038359 Angstroms
sigma value = 5


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

Energy: 0.9994361514047143
Energy: 0.9363709632218474
Energy: 1.1687617476266206
Energy: 0.9363709632139524
Energy: 1.1281604072708211
Energy: 1.0157880069599643
Energy: 0.9288580199835204
Energy: 1.015788006959175
Energy: 0.9419154993158001
Energy: 0.994924597974502
Energy: 1.1947538911503044
Energy: 0.9949245979768705
Energy: 0.9461339826336339
Energy: 1.0154913908049314
Energy: 0.9106875058020238
Energy: 1.0154913908001943
Energy: 0.9402080668383443
Energy: 1.0280485470927148
Energy: 1.1193318206371097
Energy: 1.0280485470950835
Energy: 0.9530896995163483
Energy: 0.9210187235476731
Energy: 0.9267234733940074
Energy: 0.9210187235476731
Energy: 0.9271719381648057
Energy: 1.0293884234516257
Energy: 0.93011156108875
Energy: 1.0293884234532047
Energy: 0.9236174003186064
Energy: 0.9181217053338041
Energy: 0.9388428308048701
Energy: 0.9181217053290672
Energy: 0.917019564457692
Energy: 1.0298403570117671
Energy: 0.9442310675682553
Energy: 1.0298403570220307
Energy: 0.9321393395546521
Energy: 1.0403338963555617
Energy: 0.9446498559297907
Energy: 1.0403338963587196
Energy: 0.9800903355268057
Energy: 0.9196735552383067
Energy: 0.93871186672998
Energy: 0.9196735552359383
Energy: 0.9345216079307211
Energy: 1.1007660983033538
Energy: 1.0316943961241065
Energy: 1.1007660983041432
Energy: 0.9520822605707994
Energy: 0.9841692846388732
Energy: 0.9379806201967229
Energy: 0.9841692846365047
Energy: 0.9401728062639689
Energy: 0.93818932931311
Energy: 0.9731970305663257
Energy: 0.9381893293052868
Energy: 1.2727282128829607
Energy: 0.9383673698908361
Energy: 0.9371234446396014
Energy: 0.9383673699026788
Energy: 0.9892277184328
Energy: 0.9383118612319414
Energy: 1.233790612980437
Energy: 0.9383118612327307
Energy: 1.1040720874722727
Energy: 0.9203413553638368
Energy: 0.9302821265218943
Energy: 0.9203413553559416
Energy: 0.9407675527170922
Energy: 0.9838168878287556
Energy: 1.0352421402548324
Energy: 0.9838168878319138
Energy: 0.9388067487492908
Energy: 1.0427763779559491
Energy: 0.924870661146671
Energy: 1.0427763779520016
Energy: 0.9336794584698325
Energy: 0.995339025221437
Energy: 0.9382946819896164
Energy: 0.9953390252190685
Energy: 0.9510667841665165
Energy: 1.0152346759513424
Energy: 0.923588543058975
Energy: 1.0152346759537108
Energy: 0.9390688603514261
Energy: 1.030228178949494
Energy: 0.9273132464523213
Energy: 1.0302281789581789
Energy: 0.9427910037977071
Energy: 1.0226282097435735
Energy: 0.9613811362089997
Energy: 1.022628209755416
Energy: 1.0313052405497927
Energy: 0.9249537230902152
Energy: 0.9337878483003954
Energy: 0.9249537230910045
Energy: 1.0470729940590147
Energy: 0.9175920547609158
Energy: 0.9311124291951002
Energy: 0.9175920547585473
Energy: 0.9596651316716749
Energy: 0.9854256929188971
Energy: 0.9200905148850159
Energy: 0.9854256929275819
Energy: 0.9312860713938371
Energy: 1.2841949287406804
Energy: 1.0257322995393878
Energy: 1.28419492874147
Energy: 1.1929928512877974
Energy: 1.0264782275628552
Energy: 1.0015410324584095
Energy: 1.0264782275668027
Energy: 0.9291095092880524
Energy: 0.9282080539539501
Energy: 1.0417726938374026
Energy: 0.9282080539531606
Energy: 1.1358225298608071
Energy: 0.9840395477681894
Energy: 0.958487840386543
Energy: 0.9840395477516095
Energy: 0.9288816242112561
Energy: 0.9189154600166601
Energy: 1.0465047548465929
Energy: 0.9189154600229764
Energy: 1.118788234887507
Energy: 1.0440657644156992
Energy: 0.933966716628696
Energy: 1.0440657644085936
Energy: 0.9117989897172173
Energy: 1.015616658922906
Energy: 0.9666983659442847
Energy: 1.0156166589197482

minimum gb energy = 0.9106875058020238 eV
minimum distance =  2.26543059593785 Angstroms
sigma value = 1


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

Energy: 1.0214952943059252
Energy: 0.9328967626760396
Energy: 1.1660927953087792
Energy: 0.9328967626749481
Energy: 0.9341904624928146
Energy: 1.0536143377755889
Energy: 0.9313209773774954
Energy: 1.0536143377799554
Energy: 0.9222587748669062
Energy: 0.9746289788269981
Energy: 1.1840638621276984
Energy: 0.9746289788237233
Energy: 0.9342299286436373
Energy: 1.0587949107562462
Energy: 0.9433132682258174
Energy: 1.058794910757338
Energy: 0.9262282598673154
Energy: 1.1081875967896393
Energy: 0.9439785529138472
Energy: 1.1081875967809063
Energy: 0.9316569208114449
Energy: 1.0500946890290963
Energy: 0.9427597822391672
Energy: 1.0500946890258214
Energy: 0.9261227075657008
Energy: 1.0684523531341978
Energy: 0.9204268630485313
Energy: 1.068452353130923
Energy: 0.9201635818496514
Energy: 0.9179796259164925
Energy: 0.9216607720568669
Energy: 0.9179796259164925
Energy: 0.919060314747296
Energy: 0.9342822427821325
Energy: 0.9241320492808843
Energy: 0.9342822427886822
Energy: 0.9186557394392912
Energy: 0.934281246254444
Energy: 0.918049985394824
Energy: 0.934281246254444
Energy: 0.9201159308499047
Energy: 0.9178631414303277
Energy: 0.921920239519356
Energy: 0.9178631414259613
Energy: 0.920195388646307
Energy: 1.0685546595837534
Energy: 0.9202923596901195
Energy: 1.0685546595837534
Energy: 0.9315742752861889
Energy: 1.0500275261763625
Energy: 0.9427571744099812
Energy: 1.0500275261796375
Energy: 0.9259804124928958
Energy: 1.1088024860134844
Energy: 0.917572326253632
Energy: 1.108802486011301
Energy: 0.9342651061695955
Energy: 1.0586582334314405
Energy: 0.9432168240654653
Energy: 1.0586582334292571
Energy: 0.9221102271406294
Energy: 0.9745799350616741
Energy: 1.014999970655071
Energy: 0.9745799350627656
Energy: 0.9338622261496157
Energy: 1.0522519910599941
Energy: 0.9315683370901663
Energy: 1.0522519910610857
Energy: 1.021495294303742
Energy: 0.9328967626760396
Energy: 1.199990385379891
Energy: 0.9328967626738564
Energy: 0.9352248973732576
Energy: 1.0536143377766805
Energy: 0.9313203491739438
Energy: 1.0536143377832303
Energy: 0.9222587748679979
Energy: 0.9746289788280897
Energy: 1.3341770023743353
Energy: 0.9746289788237233
Energy: 0.9342217671134433
Energy: 1.0587949107562462
Energy: 0.9433132682225426
Energy: 1.058794910757338
Energy: 0.9262282598662238
Energy: 1.1081875967819979
Energy: 0.9453710173697978
Energy: 1.1081875967852726
Energy: 0.9316569208081699
Energy: 1.0500946890290963
Energy: 0.9427597822380755
Energy: 1.0500946890258214
Energy: 0.9261227075667925
Energy: 1.0684523531341978
Energy: 0.9204268631194378
Energy: 1.068452353130923

minimum gb energy = 0.917572326253632 eV
minimum distance =  2.32786674878791 Angstroms
sigma value = 17


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

Energy: 1.0976978030440236
Energy: 0.8992433763029278
Energy: 1.1867216225224313
Energy: 0.8992433763009038
Energy: 1.1408026783390819
Energy: 0.8919099768506314
Energy: 0.8944631933484742
Energy: 0.8919099768499569
Energy: 0.9009636390196725
Energy: 0.9466915362998949
Energy: 1.0646476498016748
Energy: 0.9466915363025326
Energy: 1.013307100341562
Energy: 0.89106093274277
Energy: 0.9127364107299712
Energy: 0.8910609327441192
Energy: 0.9041150295924438
Energy: 1.0368642169928388
Energy: 0.9026025256345315
Energy: 1.0368642169982365
Energy: 0.9470194577520764
Energy: 0.8905309692497798
Energy: 0.9010050133143256
Energy: 0.8905309692572017
Energy: 0.8958729135526627
Energy: 1.011334440560255
Energy: 0.9836726427213731
Energy: 1.0113344405555318
Energy: 0.9214475984608513
Energy: 0.9800902160100738
Energy: 0.8999726877760637
Energy: 0.9800902160120981
Energy: 0.9821385233121581
Energy: 0.99473438611288
Energy: 0.9036719929425991
Energy: 0.9947343861203017
Energy: 0.9820122097201439
Energy: 1.0003934132351933
Energy: 0.8964124479367466
Energy: 1.0003934132264218
Energy: 0.8993560774496623
Energy: 0.9713512821960704
Energy: 0.9021809576397172
Energy: 0.9713512821846003
Energy: 0.900863464711093
Energy: 0.9988907325820195
Energy: 0.9017688732438837
Energy: 0.9988907325934897
Energy: 0.9347546446926225
Energy: 0.9767034493543402
Energy: 0.9027988406642935
Energy: 0.9767034493563643
Energy: 0.9024697340018398
Energy: 1.0374195669662365
Energy: 0.9824513534336824
Energy: 1.0374195669655617
Energy: 0.9249031255285683
Energy: 0.9943506763376831
Energy: 0.9026716429275724
Energy: 0.9943506763295865
Energy: 0.8966512453788037
Energy: 0.8996294852599911
Energy: 0.9864961232808971
Energy: 0.8996294852707863
Energy: 0.9839297891522935
Energy: 0.9041492323821241
Energy: 0.9281486362628715
Energy: 0.9041492323780758
Energy: 0.938506368881635
Energy: 0.9420640430580033
Energy: 1.0261625565069823
Energy: 0.9420640430485572
Energy: 1.0086168022554982
Energy: 1.1448023653849433
Energy: 0.8978912736248686
Energy: 1.1448023653775212
Energy: 0.9422480121694715
Energy: 0.9379711462006957
Energy: 0.9991317316168794
Energy: 0.937971146200021
Energy: 1.0046657576838398
Energy: 0.90743043533544
Energy: 0.9225726603117596
Energy: 0.9074304353280794
Energy: 0.9243390763518271
Energy: 0.9067015908610838
Energy: 1.0832230868941743
Energy: 0.9067015908590595
Energy: 0.9468857126497351
Energy: 0.9793108284941007
Energy: 0.9440242332943348
Energy: 0.9793108284846547
Energy: 0.8998248237338091
Energy: 1.0256000305662305
Energy: 1.138270610849114
Energy: 1.025600030566905
Energy: 0.9905788550035215
Energy: 0.9004738496923785
Energy: 0.9307731328106981
Energy: 0.9004738497024993
Energy: 0.9069086280106196
Energy: 1.0169170057045331
Energy: 0.9838693330335112
Energy: 1.016917005707232
Energy: 1.0550341822349867
Energy: 0.9823633208401021
Energy: 0.896580104172533
Energy: 0.9823633208347043
Energy: 0.9916564916544282
Energy: 1.4980496632245157
Energy: 0.922219555166361
Energy: 1.4980496632251903
Energy: 0.9832153029220277
Energy: 0.996997746205788
Energy: 0.9053433535640673
Energy: 0.9969977462024144
Energy: 0.8998594857362416
Energy: 0.9783099220549168
Energy: 0.9035029512052435
Energy: 0.9783099220495192
Energy: 0.8956519618774488
Energy: 0.9961053718967773
Energy: 0.8994545244616291
Energy: 0.9961053718913795
Energy: 0.919539596911315
Energy: 0.9719421301191995
Energy: 0.8990058178828544
Energy: 0.9719421301239224
Energy: 0.897612442474256
Energy: 0.9912145021935587
Energy: 1.0607637503919967
Energy: 0.9912145021969322
Energy: 0.9091237519606131
Energy: 1.003364392043481
Energy: 0.902012789801153
Energy: 1.0033643920387578
Energy: 0.9051200651349932
Energy: 0.902051052250506
Energy: 0.930228311383301
Energy: 0.9020510522532048
Energy: 0.9822145353909617
Energy: 1.0247459420192029
Energy: 0.8971888649423646
Energy: 1.0247459420098182
Energy: 0.9111645876162735
Energy: 1.056937020985501
Energy: 0.942594719755426
Energy: 1.056937020985501
Energy: 0.8930561239259064
Energy: 0.9860980085626212
Energy: 0.9232290354794713
Energy: 0.9860980085713925

minimum gb energy = 0.8905309692497798 eV
minimum distance =  2.28673654518499 Angstroms
sigma value = 89


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

Energy: 1.1913906001616252
Energy: 0.8844374523812529
Energy: 1.1095024099016113
Energy: 0.8844374523777221
Energy: 1.0765188028227193
Energy: 0.8608558318689651
Energy: 0.8139331011062302
Energy: 0.8608558318654342
Energy: 0.8709977769452664
Energy: 1.0224176108049974
Energy: 0.8587530259973086
Energy: 1.0224176108049974
Energy: 0.9388860359337489
Energy: 0.8792614747279935
Energy: 0.8542925686513172
Energy: 0.8792614747262281
Energy: 0.858371264555234
Energy: 0.9825299436954719
Energy: 0.8852856985253558
Energy: 0.9825299436954719
Energy: 0.8672365410396027
Energy: 0.8158698223536175
Energy: 0.8190900047778503
Energy: 0.8158698223536175
Energy: 0.8162324768470499
Energy: 1.0206262383056461
Energy: 0.813485023334786
Energy: 1.0206262383038807
Energy: 0.9176064385908452
Energy: 1.0267897659868854
Energy: 0.8541783909476028
Energy: 1.0267897659269016
Energy: 0.8565561053794001
Energy: 0.9826467793770328
Energy: 1.032541429711877
Energy: 0.9826467793770328
Energy: 0.8676747611995501
Energy: 0.8165747127310832
Energy: 0.8487090573322511
Energy: 0.8165747127293177
Energy: 1.0610432480428853
Energy: 0.8516797033829544
Energy: 0.8404449729312263
Energy: 0.851679703381189
Energy: 1.0616903816065915
Energy: 1.002962760024785
Energy: 0.8192579749686159
Energy: 1.0029627600265505
Energy: 0.8574700884735433
Energy: 0.815273138681826
Energy: 0.8890264728017344
Energy: 0.815273138681826
Energy: 0.8573019304109075
Energy: 0.9605846832199101
Energy: 0.8818967407749077
Energy: 0.9605846832199101
Energy: 0.8355061616623873
Energy: 0.8159049877690268
Energy: 0.891166842652649
Energy: 0.8159049877690268

minimum gb energy = 0.813485023334786 eV
minimum distance =  2.33011091641927 Angstroms
sigma value = 13


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

Energy: 0.8616753831398801
Energy: 1.1525911909507751
Energy: 1.2477446685111018
Energy: 1.1525911909507751
Energy: 0.999287221030726
Energy: 0.990793262250661
Energy: 0.8360297690595114
Energy: 0.990793262249921
Energy: 0.829401049903847
Energy: 1.3061456495167711
Energy: 1.2697023618927727
Energy: 1.3061456495212107
Energy: 0.8429179067147935
Energy: 0.9910016429465831
Energy: 0.8356911915542162
Energy: 0.9910016429502828
Energy: 0.8300620368569299
Energy: 1.1595189245725404
Energy: 0.8377665890483078
Energy: 1.1595189245828996
Energy: 0.8657602444208824
Energy: 0.8371990805132733
Energy: 0.8597158991371792
Energy: 0.8371990805117935
Energy: 0.8307502825495119
Energy: 1.1583286792612448
Energy: 0.9130970851415445
Energy: 1.1583286792634646
Energy: 0.8476446302236127
Energy: 0.9914136021706357
Energy: 0.8601178418273769
Energy: 0.9914136021728556
Energy: 0.8311848339153948
Energy: 1.0781435940731714
Energy: 1.0806180647612915
Energy: 1.0781435940805708
Energy: 1.0409062386797534
Energy: 0.9897143956918465
Energy: 0.83318141092487
Energy: 0.9897143956837071
Energy: 0.8329130849712675
Energy: 0.9377862449612963
Energy: 0.8564937527455935
Energy: 0.9377862449746154
Energy: 0.8433283749238544
Energy: 1.0807931259860692
Energy: 0.8340873611889011
Energy: 1.0807931259713377
Energy: 0.8378115633839738
Energy: 0.8421683098346859
Energy: 0.8777770917885965
Energy: 0.8421683098376457
Energy: 1.1477271327595882
Energy: 0.923075784532242
Energy: 0.8337213080263679
Energy: 0.9230757845381616
Energy: 0.8313501083774418
Energy: 0.8266909850898363
Energy: 0.8806507102342087
Energy: 0.8266909850876166
Energy: 0.8320032977464026
Energy: 0.925454892972518
Energy: 0.8318061854555872
Energy: 0.9254548929673385
Energy: 0.8503270243034718
Energy: 0.825645204312629
Energy: 0.8310819377959026
Energy: 0.8256452043141089
Energy: 0.8452080104411528
Energy: 0.9158695946807397
Energy: 0.8287707992884721
Energy: 0.9158695946851795
Energy: 0.8456289343598653
Energy: 0.8284704279493407
Energy: 0.8289875128039222
Energy: 0.8284704279382414
Energy: 0.8483202580996642
Energy: 0.8287763631833566
Energy: 0.8295338327086964
Energy: 0.8287763631634453
Energy: 0.8486809856809016
Energy: 0.9155831646484105
Energy: 0.8285596426700437
Energy: 0.9155831646572898
Energy: 0.8501469574685059
Energy: 0.8256064475709881
Energy: 0.8300273396896233
Energy: 0.825606447571728
Energy: 0.8332932617594495
Energy: 0.9254591275941909
Energy: 0.8322832103466314
Energy: 0.9254591275927111
Energy: 0.8307889050959155
Energy: 0.8268235548044812
Energy: 0.863616627878705
Energy: 0.8268235548163203
Energy: 1.1470384927440596
Energy: 0.9230850285275984
Energy: 0.833586571269814
Energy: 0.9230850285275984
Energy: 0.8390109685846957
Energy: 0.8409813625283068
Energy: 0.8500533884762633
Energy: 0.8409813625164676
Energy: 0.8421258692450874
Energy: 1.0809967305575106
Energy: 0.8335711864055444
Energy: 1.0809967305656498
Energy: 0.831132407724473
Energy: 0.9381692628527418
Energy: 0.8468954293738415
Energy: 0.9381692628512618
Energy: 1.0408350957376251
Energy: 0.9901072091167269
Energy: 0.8329740978447819
Energy: 0.9901072091226464
Energy: 0.8313150857943765
Energy: 1.0782065248265364
Energy: 0.9937372820363358
Energy: 1.0782065248080377
Energy: 0.8480754688723099
Energy: 0.9914748189371736
Energy: 0.8596421375728377
Energy: 0.9914748189349537
Energy: 0.8284701817128903
Energy: 1.157457619692594
Energy: 1.145417900324031
Energy: 1.157457619694074
Energy: 0.8658082909920316
Energy: 0.8388023003834985
Energy: 0.857177170960292
Energy: 0.8388023003916378
Energy: 0.8306091306699085
Energy: 1.1586933119594598
Energy: 1.068634241152984
Energy: 1.158693311943921
Energy: 0.8426393591627779
Energy: 0.9907746673312853
Energy: 0.83532123808186
Energy: 0.9907746673305453

minimum gb energy = 0.8256064475709881 eV
minimum distance =  2.2320347981321 Angstroms
sigma value = 37


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

Energy: 0.796853670917406
Energy: 0.7967481034604926
Energy: 1.1049450942813026
Energy: 0.7967481034617658
Energy: 0.7983252214477818
Energy: 0.7956238032561069
Energy: 0.7962933280716645
Energy: 0.7956238032561069
Energy: 0.7968525677739549
Energy: 1.1900942537485142
Energy: 0.8173714933361842
Energy: 1.1900942537497874
Energy: 0.7933456366643639
Energy: 1.0494323939634889
Energy: 0.7948183757874588
Energy: 1.049432393960943
Energy: 0.7905430961001748
Energy: 0.7958887109051646
Energy: 0.8188249901050489
Energy: 0.7958887109051646
Energy: 0.8174655517482283
Energy: 0.7961311483670629
Energy: 0.7977417515411251
Energy: 0.7961311483670629
Energy: 0.7945625365185093
Energy: 0.814710651878422
Energy: 1.035600793991909
Energy: 0.814710651879695
Energy: 0.7950214033727778
Energy: 0.7973125028966798
Energy: 0.7966446199234949
Energy: 0.7973125028966798
Energy: 0.790708244771925
Energy: 0.7956926522162819
Energy: 1.2882752430722733
Energy: 0.7956926522150087
Energy: 1.2206917925380003
Energy: 1.194955725033581
Energy: 0.7974281973976627
Energy: 1.194955729601804
Energy: 0.7937052697860205
Energy: 0.8149978906155257
Energy: 0.792820902986132
Energy: 0.8149978906155257
Energy: 1.1478998340732582
Energy: 0.7970342013324954
Energy: 0.791880716458595
Energy: 0.7970342013324954
Energy: 0.7891199621434944
Energy: 0.7950304833297976
Energy: 0.839852293961845
Energy: 0.7950304833285247
Energy: 1.0339501059595944
Energy: 0.8153425895431854
Energy: 0.7954368232163879
Energy: 0.8153425895406393
Energy: 0.7943392598129541
Energy: 0.814516498436086
Energy: 0.7961456031857638
Energy: 0.8145164984373591
Energy: 0.7917562380401482
Energy: 0.7962784167199121
Energy: 0.7923619412185123
Energy: 0.7962784167199121
Energy: 0.7895290102218782
Energy: 0.945190569999326
Energy: 0.8545779625972899
Energy: 0.945190570000599
Energy: 0.7930815135516462
Energy: 0.8155109527322565
Energy: 0.7957931015929359
Energy: 0.8155109527398947
Energy: 0.7936283616265164
Energy: 0.7984776778656709
Energy: 0.7947446331126656
Energy: 0.7984776778643979
Energy: 0.7946083782979692
Energy: 0.7971710790233154
Energy: 0.7909492733834789
Energy: 0.7971710790220424

minimum gb energy = 0.7891199621434944 eV
minimum distance =  2.30603028044314 Angstroms
sigma value = 25


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

Energy: 0.7346613282495579
Energy: 1.2932500412903394
Energy: 1.2210900390702077
Energy: 1.2932500412803987
Energy: 1.1267999072997428
Energy: 0.7224043091075295
Energy: 0.7190137511165965
Energy: 0.7224043091075295
Energy: 0.7113282380731227
Energy: 0.7110081600928433
Energy: 1.309173355990993
Energy: 0.7110081600928433
Energy: 0.9141733224568425
Energy: 1.0027827421985125
Energy: 0.7059739530369585
Energy: 1.0027827421985125
Energy: 0.7129588061907666
Energy: 1.214678639918957
Energy: 0.7348739849971415
Energy: 1.214678639917963
Energy: 0.7125506631310797
Energy: 1.0031280849503483
Energy: 0.7054130219623123
Energy: 1.0031280849464173
Energy: 0.705808095665133
Energy: 0.9226793824638669
Energy: 1.0184987493432813
Energy: 0.9226793824598907
Energy: 0.7344406216182089
Energy: 0.735113444515572
Energy: 0.7135788697887989
Energy: 0.7351134445125899
Energy: 0.7162214538541357
Energy: 1.0035678625650286
Energy: 1.1301633607022548
Energy: 1.0035678625650286
Energy: 0.7167166194229081
Energy: 1.0015686347766868
Energy: 0.7361528173512291
Energy: 1.0015686347786747
Energy: 0.7056818556258734
Energy: 0.7110966986315386
Energy: 1.1255032823461897
Energy: 0.7110966986305446
Energy: 1.0728200541631907
Energy: 1.288218934984258
Energy: 0.7125182258492888
Energy: 1.2882189349882343
Energy: 0.7092424473443195
Energy: 1.0038871895902677
Energy: 0.9185954619545789
Energy: 1.0038871895882795
Energy: 1.033629097798386
Energy: 0.9286539294084074
Energy: 0.7049681719268623
Energy: 0.9286539294292381
Energy: 0.7056929195638131
Energy: 0.7107913554580381
Energy: 0.7126171029324194
Energy: 0.7107913554570441
Energy: 1.0176607041287828
Energy: 1.0153330833069338
Energy: 0.7062121730089661
Energy: 1.0153330832999752
Energy: 0.7143085382563097
Energy: 0.7358739775676393
Energy: 0.7368177205289385
Energy: 0.7358739775696275
Energy: 0.9202911950686223
Energy: 0.9359707250484415
Energy: 0.7184080074403799
Energy: 0.9359707250573882
Energy: 0.7376602534997216
Energy: 0.9234287781894559
Energy: 0.7125996550139746
Energy: 0.9234287781884619
Energy: 1.12491438933421
Energy: 1.1322189109141143
Energy: 0.7070881053883037
Energy: 1.1322189109170966
Energy: 0.7141114732772212
Energy: 0.9457824010724639
Energy: 0.7641170252118262
Energy: 0.9457824010734579
Energy: 0.7046261625508012
Energy: 0.7236914783360462
Energy: 0.7169365423195859
Energy: 0.723691478334058
Energy: 0.70560156221065
Energy: 0.7133938716558853
Energy: 1.028912689187358
Energy: 0.7133938716568794
Energy: 0.7181864528698094
Energy: 0.8583262265090255
Energy: 0.7068154005642583
Energy: 0.8583262265080313
Energy: 0.7081195247855819
Energy: 0.942509521245111
Energy: 1.015605731773147
Energy: 0.9425095212490874
Energy: 0.7193882544379615
Energy: 0.7359367404559234
Energy: 0.7109364575780459
Energy: 0.7359367404549292

minimum gb energy = 0.7046261625508012 eV
minimum distance =  2.32083730656884 Angstroms
sigma value = 41


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

Energy: 1.2391302558070245
Energy: 0.9764997836872088
Energy: 1.1171751262490868
Energy: 0.9764997837719304
Energy: 1.3838133065560758
Energy: 0.7443543489468437
Energy: 0.6413761783103946
Energy: 0.7443543489443989
Energy: 0.7656008179497454
Energy: 0.9734663393505395
Energy: 0.6642406043810788
Energy: 0.9734663393497245
Energy: 1.0862699307376313
Energy: 0.7558994449096562
Energy: 0.6448788069867526
Energy: 0.7558994449096562
Energy: 0.759983201277337
Energy: 1.1016889007175443
Energy: 0.655166462092777
Energy: 1.1016889007167294
Energy: 0.9230422474204009
Energy: 0.871157501564708
Energy: 0.634266155518574
Energy: 0.8711575015565581
Energy: 0.6359507407855824
Energy: 1.0998426020661558
Energy: 0.7421744313883061
Energy: 1.0998426020710457
Energy: 0.748384775419516
Energy: 0.750241347142054
Energy: 0.7605307482528374
Energy: 0.750241347145314
Energy: 0.6334364185575878
Energy: 0.8733806374261003
Energy: 0.9226975161301751
Energy: 0.8733806374203955
Energy: 0.6784145430539994
Energy: 0.736281232530972
Energy: 0.7666216491726076
Energy: 0.736281232535862
Energy: 0.6402051693434331
Energy: 0.8641323377706619
Energy: 1.2681464222936636
Energy: 0.8641323377682169
Energy: 0.651468288597672
Energy: 0.8767436738871757
Energy: 1.10857560900884
Energy: 0.8767436738896206
Energy: 0.6323267250322675
Energy: 0.8723438506949618
Energy: 1.1748605327868689
Energy: 0.8723438506925167
Energy: 0.9295104980277011
Energy: 0.7374916516294892
Energy: 0.7664385353223928
Energy: 0.7374916516303041
Energy: 0.6432561874421027
Energy: 0.7539975156589641
Energy: 1.0918700782509005
Energy: 0.7539975156565191
Energy: 0.9058181900342136
Energy: 0.8723781566732304
Energy: 0.760754494114904
Energy: 0.8723781566683405
Energy: 0.6306999633278911
Energy: 0.7461365993411151
Energy: 1.0165050690925082
Energy: 0.7461365993337803
Energy: 1.0252192195315506
Energy: 0.7388179742759058
Energy: 0.6347788645894769
Energy: 0.7388179742669408
Energy: 0.7637009159995416
Energy: 0.7498380430590321
Energy: 0.7467705214559631
Energy: 0.7498380430614769
Energy: 0.9964100830837204
Energy: 0.8725407365626021
Energy: 0.6348046631782055
Energy: 0.8725407365626021
Energy: 0.767993416775641
Energy: 0.6344371486174514
Energy: 0.7670143635473763
Energy: 0.6344371484887577
Energy: 1.2702104360596205
Energy: 0.6527906883642808
Energy: 0.6414601605853945
Energy: 0.6527906883634658
Energy: 1.1011122634433452
Energy: 0.7401132696304272
Energy: 0.6488559426663608
Energy: 0.7401132696328722
Energy: 1.0965898405793533
Energy: 0.7551075878237148
Energy: 0.6330130762634276
Energy: 0.7551075878155649
Energy: 0.7670322543966858
Energy: 0.7445484002376352
Energy: 0.6809491155192996
Energy: 0.7445484002368202
Energy: 1.0896929742031423
Energy: 0.6559130606933643
Energy: 0.6434866968866356
Energy: 0.6559130606966241
Energy: 0.759501245927117
Energy: 0.8735281360885668
Energy: 0.9089504701437188
Energy: 0.8735281360861219
Energy: 0.7290123377077891
Energy: 0.6381703647272238
Energy: 0.6324086291092743
Energy: 0.6381703647361885
Energy: 0.6333949353045537
Energy: 0.7385213851017028
Energy: 1.017544109520627
Energy: 0.7385213851212625
Energy: 0.7410102309112014
Energy: 0.6609805674189994
Energy: 0.7465513932729892
Energy: 0.6609805673856219
Energy: 0.6306180742244843
Energy: 0.8679089900289789
Energy: 0.988370868944331
Energy: 0.867908990025719
Energy: 0.6460016319031496
Energy: 0.6374760930878632
Energy: 0.7705141853286457
Energy: 0.6374760930870482

minimum gb energy = 0.6306180742244843 eV
minimum distance =  2.30689048570671 Angstroms
sigma value = 15


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

Energy: 0.9806577401929752
Energy: 0.5647065181104929
Energy: 1.08372920975998
Energy: 0.5647065180718301
Energy: 1.2102955631321224
Energy: 0.5653604764685787
Energy: 0.5762623990400786
Energy: 0.5653604765493565
Energy: 0.595810951514549
Energy: 0.9702028522317451
Energy: 0.8964220093465791
Energy: 0.9702028522276026
Energy: 1.0706976520928637
Energy: 0.5658411282519886
Energy: 0.5837022789809487
Energy: 0.5658411282561311
Energy: 0.5786135729168463
Energy: 0.5762998542494441
Energy: 0.8869207121632477
Energy: 0.5762998542549672
Energy: 0.9284297331057709
Energy: 0.7662388365511968
Energy: 0.5781685763534712
Energy: 0.7662388365518873
Energy: 0.5827719727393865
Energy: 0.9722884811784182
Energy: 0.5940587316317436
Energy: 0.9722884811818701
Energy: 0.764503033066037
Energy: 0.771376741289188
Energy: 0.5849172840326988
Energy: 0.7713767412836647
Energy: 0.5735928882339407
Energy: 0.5684180926772358
Energy: 0.7501832227401981
Energy: 0.5684180926751645
Energy: 0.6146476028421364
Energy: 0.5650004963190723
Energy: 0.5794975521495492
Energy: 0.5650004963142395
Energy: 0.5904022964658665
Energy: 0.7637028556588993
Energy: 1.1099992407478716
Energy: 0.7637028556568279
Energy: 0.6206505853826121
Energy: 0.7678828655067379
Energy: 0.5959048793688256
Energy: 0.7678828655032858
Energy: 0.5777482817612336
Energy: 0.5714484484468566
Energy: 1.2035450927256455
Energy: 0.5714484484503085
Energy: 0.6070379855853528
Energy: 0.5669355630671308
Energy: 0.9821669568953647
Energy: 0.566935594586146
Energy: 0.5752527745323892
Energy: 0.7679991052782758
Energy: 1.2125311234058511
Energy: 0.7679991052775854
Energy: 0.8530677868046286
Energy: 0.7691109477013869
Energy: 0.5958284846140537
Energy: 0.7691109476986253
Energy: 0.5887501997151015
Energy: 0.5724417984369058
Energy: 1.0708556503625524
Energy: 0.5724417984348344
Energy: 0.8339341635808207
Energy: 0.5615787028024809
Energy: 0.5814284995105201
Energy: 0.5615787046823368
Energy: 0.577893320554473
Energy: 0.7644088821745906
Energy: 0.9270323380752752
Energy: 0.7644088821739001
Energy: 0.5919102214717177
Energy: 0.7710059397654575
Energy: 0.5802097614451104
Energy: 0.7710059397654575
Energy: 0.5829428136561626
Energy: 0.7704189794415652
Energy: 0.7627399212037272
Energy: 0.7704189794484693
Energy: 0.8151890824472703
Energy: 0.5622096518848766
Energy: 0.5734288527868174
Energy: 0.5622096518841863
Energy: 0.5805534909371685
Energy: 0.5682657996912849
Energy: 0.6090752060914001
Energy: 0.5682657996878329
Energy: 1.1074518353556
Energy: 0.765158049024408
Energy: 0.5845795926124054
Energy: 0.7651580490168134
Energy: 0.5986774557919053
Energy: 0.5720718061359265
Energy: 0.6243191187590321
Energy: 0.5720718060696474
Energy: 1.0602076568687164
Energy: 0.5673951135588289
Energy: 0.5707958062902795
Energy: 0.5673951135470919
Energy: 0.9811225584329765
Energy: 0.5642995581705283
Energy: 0.6043551626552736
Energy: 0.5642995581698379
Energy: 1.2154053963987663
Energy: 0.7684908270385167
Energy: 0.5861730477861092
Energy: 0.7684908270412784
Energy: 0.5977846928911879
Energy: 0.5721946729734538
Energy: 0.6388585969139687
Energy: 0.5721946729907139
Energy: 0.9234953504138711
Energy: 0.5718630373478906
Energy: 0.5853509446147729
Energy: 0.5718630373596274
Energy: 0.5779526982284506
Energy: 0.571277535654261
Energy: 0.8302500037619723
Energy: 0.571277535448645
Energy: 0.9248587071104538
Energy: 0.5637400614223291
Energy: 0.5794955693909789
Energy: 0.5637400614264716
Energy: 0.5821487784590681
Energy: 0.5671634921345906
Energy: 0.8313269493522321
Energy: 0.5671634920055469
Energy: 0.5849329706155771
Energy: 0.569255482266617
Energy: 0.5791953807024759
Energy: 0.569255482266617
Energy: 0.5737259499121559
Energy: 0.5648113658803845
Energy: 0.8161382589188786
Energy: 0.5648113658665763
Energy: 0.6087940480270589
Energy: 0.566779181840789
Energy: 0.5799603935354761
Energy: 0.5667791818318137
Energy: 0.5813172601318122
Energy: 0.5663478561264474
Energy: 1.1083791171557293
Energy: 0.5663478561009023

minimum gb energy = 0.5615787028024809 eV
minimum distance =  2.30711263410785 Angstroms
sigma value = 85


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

Energy: 0.9858955618385105
Energy: 0.549865539178392
Energy: 0.9051048897897025
Energy: 0.5498655391849786
Energy: 1.3584255707028254
Energy: 0.5424195898753987
Energy: 0.5143712886935191
Energy: 0.5424195898771951
Energy: 0.9594376152428513
Energy: 0.7899007888642638
Energy: 0.5780661322279836
Energy: 0.7899007888648626
Energy: 1.1615727301388052
Energy: 0.6204503349170626
Energy: 0.5230690963557939
Energy: 0.6204503349146675
Energy: 0.6299357781933732
Energy: 0.7739047774426223
Energy: 0.5574705400874657
Energy: 0.773904777440826
Energy: 1.032030069985686
Energy: 0.6189408606551597
Energy: 0.5175132489164743
Energy: 0.6189408606533634
Energy: 0.6023375397278451
Energy: 0.8752137716427971
Energy: 0.6221503452177473
Energy: 0.8752137716421983
Energy: 0.9006008150612566
Energy: 0.6158727934378331
Energy: 0.5174068169681568
Energy: 0.6158727934342403
Energy: 0.5245033399679949
Energy: 0.8639777183020099
Energy: 0.7669134962742994
Energy: 0.8639777182978184
Energy: 0.7650204270034885
Energy: 0.6280694021865071
Energy: 0.6034679650071083
Energy: 0.6280694021811453
Energy: 0.5152445308550255
Energy: 0.7002396357818456
Energy: 0.8933339788227228
Energy: 0.7002396357770552
Energy: 0.6215185630929098
Energy: 0.5435381183332981
Energy: 0.6313972478162132
Energy: 0.5435381183380613
Energy: 0.5143609222705486
Energy: 0.6912747990840745
Energy: 1.0367575905497826
Energy: 0.6912747990774878
Energy: 0.564339464737073
Energy: 0.6290012836702973
Energy: 0.9579125218418894
Energy: 0.629001283676884
Energy: 0.5144964996871311
Energy: 0.7076632998636323
Energy: 1.290156665820113
Energy: 0.7076632998624348
Energy: 0.5479472316409152
Energy: 0.5430144047641186
Energy: 0.8943771336516668
Energy: 0.5430144047617235
Energy: 0.5139028692785372
Energy: 0.6933710037110193
Energy: 1.2208342213321774
Energy: 0.6933710037074265
Energy: 0.5607172861141617
Energy: 0.6324276133071894
Energy: 0.9632242074728473
Energy: 0.6324276133119798
Energy: 0.5210612024150107
Energy: 0.7054449597528677
Energy: 1.1621413709639339
Energy: 0.7054449597498739
Energy: 0.7429912287554558
Energy: 0.5477496351754592
Energy: 0.6180855843970434
Energy: 0.5477496351730641
Energy: 0.5161601355217605
Energy: 0.6137817356378119
Energy: 1.0323035219995926
Energy: 0.6137817356408058
Energy: 0.6235085984020519
Energy: 0.7036516514007061
Energy: 0.6041320414967258
Energy: 0.7036516513995086
Energy: 0.5215695049811714
Energy: 0.6193550382329366
Energy: 0.8988052781194578
Energy: 0.6193550382329366
Energy: 0.7937128087371594
Energy: 0.5578106017276357
Energy: 0.5200758829541234
Energy: 0.5578106017246418
Energy: 0.6038234401744788
Energy: 0.6220499496681519
Energy: 0.765435255909179
Energy: 0.6220499496657839
Energy: 1.0993202458459244
Energy: 0.7048015504975129
Energy: 0.5220611311662959
Energy: 0.704801550500507
Energy: 0.6293751617862203
Energy: 0.533900125168236
Energy: 0.6209840356035704
Energy: 0.533900125159853
Energy: 1.0764554929992443
Energy: 0.5594922682621051
Energy: 0.5149060223452796
Energy: 0.5594922682621051
Energy: 0.9596129564086394
Energy: 0.6352711907104626
Energy: 0.64337802353624
Energy: 0.635271190712259
Energy: 1.2882531451676222
Energy: 0.7073753252236966
Energy: 0.5159135813226788
Energy: 0.7073753252224991
Energy: 0.9954769583297185
Energy: 0.5477390950058209
Energy: 0.5453526801806955
Energy: 0.5477390950088149
Energy: 1.17177432431958
Energy: 0.5652274132444328
Energy: 0.5140326813155831
Energy: 0.5652274132456303
Energy: 0.9618254305215983
Energy: 0.6360296572784903
Energy: 0.570829217993518
Energy: 0.6360296572760951
Energy: 1.1625217410488489
Energy: 0.6265187718310294
Energy: 0.5220426087512914
Energy: 0.6265187718286342
Energy: 0.6178311851146371
Energy: 0.5307420594725663
Energy: 0.7446711033563987
Energy: 0.5307420594767578
Energy: 0.9012659548359165
Energy: 0.5657336857347864
Energy: 0.5165388027907422
Energy: 0.5657336857353852
Energy: 0.6047823444855054
Energy: 0.7037095147329313
Energy: 0.8239224588248174
Energy: 0.7037095147401168
Energy: 0.9024393378567325
Energy: 0.5331848722494447
Energy: 0.5228659482077705
Energy: 0.533184872254235
Energy: 0.5252889576041129
Energy: 0.5327172733482889
Energy: 0.8106969159712792
Energy: 0.5327172733428998
Energy: 0.6028249167099123
Energy: 0.5785844441061144
Energy: 0.6049432225959732
Energy: 0.5785844441049169
Energy: 0.5228987597114532
Energy: 0.7052507703271741
Energy: 1.0792667018824647
Energy: 0.7052507703289704
Energy: 0.6222170565040694
Energy: 0.5334033478016075
Energy: 0.617973151218514
Energy: 0.5334033477968172
Energy: 0.5158688950022942
Energy: 0.5401297048945436
Energy: 1.075991293783539
Energy: 0.5401297048897805

minimum gb energy = 0.5139028692785372 eV
minimum distance =  2.31087076387537 Angstroms
sigma value = 113


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

Energy: 0.01837480836811413
Energy: 0.018718738289542968
Energy: 0.6231877407204418
Energy: 0.01871873828995214
Energy: 0.6232836879110484
Energy: 0.4572622290643705
Energy: 0.4570010970299617
Energy: 0.4572622290630151
Energy: 0.018374808368574448
Energy: 0.018718738288622326
Energy: 0.6231677273671175
Energy: 0.018718738290872783
Energy: 0.6232836879092583
Energy: 0.4572622290643705
Energy: 0.45700109702817165
Energy: 0.4572622290630151
Energy: 0.018374808368574448
Energy: 0.018718738289542968
Energy: 0.6231768461141828
Energy: 0.01871873828995214
Energy: 0.6232836879083887
Energy: 0.4572622290639102
Energy: 0.45700109703267255
Energy: 0.4572622290639102

minimum gb energy = 0.01837480836811413 eV
minimum distance =  2.50630665565456 Angstroms
sigma value = 1