Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.734619852999379e-20, 1.6394753060395198e-19, 2.66446780764102e-19, 3.97081854793926e-19, 4.755772946234879e-19, 5.10688995557598e-19, 5.32311971410062e-19, 5.493527220892859e-19, 5.67196163262144e-19, 5.86326152272104e-19, 6.053087410317359e-19, 6.223751265371039e-19, 6.367258226478419e-19, 6.486299950384619e-19, 6.58754149188708e-19, 6.67564518499074e-19, 6.753895491795299e-19, 6.822596825861219e-19, 6.88149283892706e-19, 6.929622225012419e-19, 6.966536374659779e-19, 6.99210711373842e-19, 7.006414551080039e-19, 7.010436014431379e-19, 7.00604605045422e-19, 6.991754634878939e-19, 6.965462916314999e-19, 6.92463945568068e-19, 6.86465396250372e-19, 6.78912735597696e-19, 6.709018524276959e-19, 6.63395654897406e-19, 6.552309627705419e-19, 6.4393401532420795e-19, 6.26926910354298e-19, 6.03413366073714e-19, 5.728486424268959e-19, 5.253184704026519e-19, 4.5302345414667e-19, 4.06653258005442e-19, 3.50118853298118e-19, 1.329479762186664e-19, -4.84658431785e-19, -1.70253697835376e-18, -3.71447028649926e-18, -7.482533381405819e-18, -1.540385487756522e-17, -3.36514771498824e-17, -5.96631352381992e-17, -7.103971086324299e-17, -7.10073468952362e-17, -7.10363462923116e-17, -7.12098620217738e-17, -7.15963070258946e-17]
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: 0.013773254360001035
Energy: 0.2250612864597056
Energy: 0.22499299393759037
Energy: 0.22592636818326245
Energy: 0.22483053648617402
Energy: 0.01393722825610864
Energy: 0.22506128646021745
Energy: 1.211595289877789
Energy: 0.22542682213612003
Energy: 0.2250873451815763
Energy: 0.22532421695318292
Energy: 0.22493957743382073
Energy: 0.22499299393759037
Energy: 0.22542682213612003
Energy: 1.2097912800669701
Energy: 0.014456382213410683
Energy: 0.2248958177296705
Energy: 0.22538305718586796
Energy: 0.22592636818326245
Energy: 0.2250873451815763
Energy: 0.014456382213410683
Energy: 0.01395252234036219
Energy: 0.22542084611853258
Energy: 0.22553760496154765
Energy: 0.22483053648668586
Energy: 0.22532421695318292
Energy: 0.2248958177296705
Energy: 0.22542084611804916
Energy: 1.2121901719171282
Energy: 0.2254675608748081
Energy: 0.01393722825610864
Energy: 0.22493957743481602
Energy: 0.22538305718586796
Energy: 0.22553760496203107
Energy: 0.22546756087531994
Energy: 0.014313513894823786

minimum gb energy = 0.013773254360001035 eV
minimum distance =  2.44809036597623 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.2532021961777247
Energy: 1.5694556161251965
Energy: 1.5701933712847609
Energy: 1.5903772680710868
Energy: 1.5697086291784408
Energy: 1.59807426407798
Energy: 1.5996544903071144
Energy: 1.628169972602744
Energy: 1.551290172160145
Energy: 1.5911484496758885
Energy: 1.5519509890648795
Energy: 1.672618727213892
Energy: 1.570604483582847
Energy: 1.5479197388658168
Energy: 1.628899736733347
Energy: 1.565389178221975
Energy: 1.5487681371233557
Energy: 1.5499152416384552
Energy: 1.5646408546410535
Energy: 1.5458271376807229
Energy: 1.5872542195775015
Energy: 1.5882940018550442
Energy: 1.5463873401080923
Energy: 1.5490187327499119
Energy: 1.6112733910071224
Energy: 1.5523814545251888
Energy: 1.5525273160391844
Energy: 1.6689985383276607
Energy: 1.552696637290386
Energy: 1.553028832873725
Energy: 1.6099631940908938
Energy: 1.5836710546126367
Energy: 1.5854634608858855
Energy: 1.5797129287119307
Energy: 1.5843955642234817
Energy: 1.5835226532100861
Energy: 1.5652301380089289
Energy: 1.583262851826377
Energy: 1.5843837098869147
Energy: 1.6369820637322279
Energy: 1.584369533972159
Energy: 1.5833010453269045
Energy: 1.613509117212969
Energy: 1.5187293210302841
Energy: 1.4913185161780067
Energy: 1.4915291099514223
Energy: 1.556622740591082
Energy: 1.5185570778264408
Energy: 1.4737403501869277
Energy: 1.5844004619020116
Energy: 1.5843881370197106
Energy: 1.5794246775036573
Energy: 1.5848994992420442
Energy: 1.6728457143274023
Energy: 1.4739490539130768
Energy: 1.583409632948999
Energy: 1.584349340052279
Energy: 1.5789462047731928
Energy: 1.5845499699008636
Energy: 1.5536538822064376
Energy: 1.5195749183783143
Energy: 1.518649867330247
Energy: 1.5514077162548439
Energy: 1.5538144742664717
Energy: 1.5514495050086703
Energy: 1.5200975075873326
Energy: 1.5647668497438973
Energy: 1.5463367035639528
Energy: 1.5964251180287918
Energy: 1.6949183649709982
Energy: 1.546689016378717
Energy: 1.581470559340127
Energy: 1.5713355450597901
Energy: 1.546474583743564
Energy: 1.5964386486798068
Energy: 1.6953379054077449
Energy: 1.5469706143649082
Energy: 1.580154954162705
Energy: 1.4906702526088245
Energy: 1.5531551879187602
Energy: 1.5530189998701278
Energy: 1.5539904395339756
Energy: 1.5515374568647557
Energy: 1.5535689931436023
Energy: 1.5634592603997826
Energy: 1.5464295866884445
Energy: 1.5457175061495438
Energy: 1.5775536170563784
Energy: 1.5458191478574022
Energy: 1.5870352427479237
Energy: 1.6095500909242213
Energy: 1.5483020638047726
Energy: 1.5477872925791387
Energy: 1.5797577280268376
Energy: 1.547697007406052
Energy: 1.6717966282077112
Energy: 1.5722150167040927
Energy: 1.5521460520648065
Energy: 1.51902284524968
Energy: 1.6109725314067083
Energy: 1.583446138835836
Energy: 1.5521719153431666
Energy: 1.5706204171420657
Energy: 1.584261746294865
Energy: 1.5838958145150008
Energy: 1.5839756047127012
Energy: 1.5838522936548134
Energy: 1.631193219110651
Energy: 1.5706020706499824
Energy: 1.5843219790962577
Energy: 1.672072449491781
Energy: 1.6102827958990305
Energy: 1.5842402410347998
Energy: 1.6318090678223367
Energy: 1.596748904826167
Energy: 1.5846703743114983
Energy: 1.5187410716094978
Energy: 1.610187162425331
Energy: 1.5503843121413188
Energy: 1.5841079294944422
Energy: 1.571647982351434
Energy: 1.5848662755998373
Energy: 1.553522051514756
Energy: 1.5539680799196964
Energy: 1.5834200953505222
Energy: 1.5851137529621293
Energy: 1.57079743134955
Energy: 1.5849478269851671
Energy: 1.584055901432708
Energy: 1.4767923684886652
Energy: 1.5845129141789291
Energy: 1.5488303691641603
Energy: 1.71551588533671
Energy: 1.6280476865241813
Energy: 1.5503776848207447
Energy: 1.5702157701226889
Energy: 1.5515543823478637
Energy: 1.6732592953908125

minimum gb energy = 1.4737403501869277 eV
minimum distance =  2.17071397724997 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6550152591097569
Energy: 1.6138999633028894
Energy: 1.6128920049421274
Energy: 1.6081641696339075
Energy: 1.613108448176103
Energy: 1.6865275156087534
Energy: 1.73581133770292
Energy: 1.6563289651948934
Energy: 1.5878540269355437
Energy: 1.597834025401812
Energy: 1.5873170247592736
Energy: 1.6599003721827086
Energy: 1.7362386726376375
Energy: 1.6575702374472359
Energy: 1.6700473089108572
Energy: 1.5812311109568131
Energy: 1.6573491963123894
Energy: 1.6577199266826643
Energy: 1.6869453852227245
Energy: 1.6566800581177272
Energy: 1.6559090348003214
Energy: 1.6716653040312268
Energy: 1.6561458429467166
Energy: 1.6908812821781827
Energy: 1.7300936907419036
Energy: 1.6570422155633069
Energy: 1.6882037117397986
Energy: 1.7281450166649868
Energy: 1.6555597097786006
Energy: 1.6902887453473865
Energy: 1.5977066873585504
Energy: 1.6574941154283225
Energy: 1.6578108760064796
Energy: 1.5983859916134044
Energy: 1.658901927457757
Energy: 1.6573576099039664
Energy: 1.5982981559991285
Energy: 1.657740157941874
Energy: 1.6574850678260318
Energy: 1.6586859125525335
Energy: 1.6580655746893922
Energy: 1.6575134810113434
Energy: 1.59730000180879
Energy: 1.5875179464882216
Energy: 1.5873105022657399
Energy: 1.5970810538439704
Energy: 1.6587707418004267
Energy: 1.5875523726667735
Energy: 1.6227434663563127
Energy: 1.656809203350358
Energy: 1.6749542120150955
Energy: 1.6884313597497336
Energy: 1.6570726707739125
Energy: 1.6611869860556419
Energy: 1.5365557942582204
Energy: 1.6568435776150483
Energy: 1.6748896750028535
Energy: 1.7172530927645164
Energy: 1.6560701595799374
Energy: 1.6773966159412872
Energy: 1.597610519143146
Energy: 1.6887574745921028
Energy: 1.6579384548125498
Energy: 1.6746514757558346
Energy: 1.6565731469065395
Energy: 1.5988354886265983
Energy: 1.5978975179129948
Energy: 1.58661649365429
Energy: 1.5869447870520725
Energy: 1.580897105866882
Energy: 1.5874621436047684
Energy: 1.5862728737933929
Energy: 1.5801612431207284
Energy: 1.5861198659646745
Energy: 1.587150121631087
Energy: 1.580925866434201
Energy: 1.5871719527876489
Energy: 1.5865053603549435
Energy: 1.5761988202596957
Energy: 1.5754610465581198
Energy: 1.6580788469681493
Energy: 1.6954829518309449
Energy: 1.6569964491483193
Energy: 1.5777127479570583
Energy: 1.5968183838242662
Energy: 1.6683213999408533
Energy: 1.6924736087080863
Energy: 1.7172648528884142
Energy: 1.6696082576698932
Energy: 1.6681271748083213
Energy: 1.5808522057745389
Energy: 1.6693744327705988
Energy: 1.692318393037923
Energy: 1.734158988506016
Energy: 1.6711907064879454
Energy: 1.6582202716100451
Energy: 1.5821554437668202
Energy: 1.5756393051891515
Energy: 1.7614432338075272
Energy: 1.6819205049547938
Energy: 1.6696616452910016
Energy: 1.5750870235742456
Energy: 1.540614079023645
Energy: 1.6680743063962247
Energy: 1.6687234266654145
Energy: 1.733332323308917
Energy: 1.6693565277759814
Energy: 1.6542011312802505
Energy: 1.5370459213900607
Energy: 1.6682238429959488
Energy: 1.6694551280991041
Energy: 1.714862533721618
Energy: 1.6694577119213896
Energy: 1.6684507978326522
Energy: 1.58063164389284
Energy: 1.5946375648811997
Energy: 1.6577856663900925
Energy: 1.7630299939566434
Energy: 1.6564002002297744
Energy: 1.6062103185595173
Energy: 1.5808718298511069
Energy: 1.5868093449952463
Energy: 1.6285051810429962
Energy: 1.681676380764202
Energy: 1.5870403129658266
Energy: 1.581156286360066
Energy: 1.5974142238732878
Energy: 1.5875971316988693
Energy: 1.6567955486560824
Energy: 1.6226791306665815
Energy: 1.587663722655922
Energy: 1.5880833686907538
Energy: 1.724711483390593
Energy: 1.7287084294548245
Energy: 1.6611784832995535
Energy: 1.6902579604077872
Energy: 1.6606164175251095
Energy: 1.6382756119491182
Energy: 1.580298773648084
Energy: 1.6581176720808948
Energy: 1.6591845270314727
Energy: 1.7033137318311664
Energy: 1.658595629500007
Energy: 1.6728526743302496
Energy: 1.7246474699997238
Energy: 1.6576232329083036
Energy: 1.690692937274645
Energy: 1.7035613428931082
Energy: 1.6616497766045952
Energy: 1.6389358481030043
Energy: 1.597274987939671
Energy: 1.657785767869149
Energy: 1.6571430121943065
Energy: 1.5982061992503735
Energy: 1.6577808921909885
Energy: 1.5872650930269747
Energy: 1.6213981335401981
Energy: 1.6573311238106552
Energy: 1.6573153659965592
Energy: 1.6586765107269026
Energy: 1.6576406882608161
Energy: 1.6581237510538713
Energy: 1.597266106407794
Energy: 1.6576806873283851
Energy: 1.5876842545479792
Energy: 1.597608127253995
Energy: 1.6590004603539605
Energy: 1.6923115489943
Energy: 1.6888323497283477
Energy: 1.6606744525709376
Energy: 1.6589833536765897
Energy: 1.6233822301515095
Energy: 1.6590217365499669
Energy: 1.6789701836803061
Energy: 1.6885003161469336
Energy: 1.6591615509875643
Energy: 1.677368768974812
Energy: 1.6592982171391923
Energy: 1.6583312315868488
Energy: 1.6759050065309717
Energy: 1.6828817325290581
Energy: 1.6612247290587612
Energy: 1.6394135698785206
Energy: 1.729792884258865
Energy: 1.7306241972610579
Energy: 1.6617002520957098
Energy: 1.686404202107812
Energy: 1.5874552983709962
Energy: 1.5866618801769239
Energy: 1.5987240445450432
Energy: 1.5869819926699247
Energy: 1.714377599231964
Energy: 1.5816547248151354
Energy: 1.5869367332852626
Energy: 1.586349625420438
Energy: 1.580597289603294
Energy: 1.5864405640646093
Energy: 1.6568999265804047
Energy: 1.7338746763067525
Energy: 1.6559624057098767
Energy: 1.5958820400621914
Energy: 1.5817002026533213
Energy: 1.595449833744004
Energy: 1.6573598262479254
Energy: 1.7062529711575587
Energy: 1.6687840985247726
Energy: 1.6680752555118064
Energy: 1.5968641990913222
Energy: 1.6682676753477006
Energy: 1.6916285452653559
Energy: 1.6885793009457275
Energy: 1.6688128283987913
Energy: 1.6681926732668406
Energy: 1.5818410185245642
Energy: 1.6684114306154236
Energy: 1.6909781345921244
Energy: 1.6831150065852807
Energy: 1.6544244570121867
Energy: 1.5751750552363053
Energy: 1.577902574264689
Energy: 1.5748052545528362
Energy: 1.6600711683326976
Energy: 1.6890950732534926
Energy: 1.6701161084756788
Energy: 1.668454053384085
Energy: 1.5392194798133745
Energy: 1.6685667446327377
Energy: 1.6929401657124992
Energy: 1.6874850366181744
Energy: 1.6691543701031764
Energy: 1.6680411588464976
Energy: 1.5363219644554633
Energy: 1.6680838405801792
Energy: 1.6914941128974343
Energy: 1.7349067191713032
Energy: 1.657146373946114
Energy: 1.6036318314331113
Energy: 1.5810755825997953
Energy: 1.5959504286294481
Energy: 1.6573477952556976
Energy: 1.6226530096335197
Energy: 1.5871062228576167
Energy: 1.5864096391737144
Energy: 1.5799385046779004
Energy: 1.58645942549071
Energy: 1.6806173108709812

minimum gb energy = 1.5363219644554633 eV
minimum distance =  2.20001989827561 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.99232425994091
Energy: 1.742602693409975
Energy: 1.7427046276402485
Energy: 1.7380119850829134
Energy: 1.742725827146419
Energy: 1.7297805237733015
Energy: 1.5457854457608304
Energy: 1.8222542156011792
Energy: 1.7169752247160261
Energy: 1.7547229427435405
Energy: 1.7185559445624905
Energy: 1.7317590218750722
Energy: 1.5355183936074444
Energy: 1.7235489879506873
Energy: 1.8221603153884929
Energy: 1.7600671217414885
Energy: 1.735477686721912
Energy: 1.7230985043790834
Energy: 1.75418597517858
Energy: 1.7244919920637753
Energy: 1.7351491612106085
Energy: 1.6648258550505497
Energy: 1.7351964346820372
Energy: 1.7243578395896524
Energy: 1.5640196694629434
Energy: 1.7249098690041451
Energy: 1.7109800841419092
Energy: 1.8040910439047457
Energy: 1.7122116832655998
Energy: 1.7252460523231277
Energy: 1.531939063525795
Energy: 1.7603374292303289
Energy: 1.8587308836104293
Energy: 1.7542458501922646
Energy: 1.7590668940165692
Energy: 1.761208582062993
Energy: 1.5322865322059602
Energy: 1.7603958836036497
Energy: 1.7602797784749677
Energy: 1.8340247853582892
Energy: 1.7608754446389991
Energy: 1.760479543718294
Energy: 1.5323098244050746
Energy: 1.5318236888281733
Energy: 1.7089315746820752
Energy: 1.7465664425341192
Energy: 1.8589755347114478
Energy: 1.5317360007249905
Energy: 1.531858633762563
Energy: 1.7071206139832427
Energy: 1.7078431531124223
Energy: 1.8241887001296553
Energy: 1.7075019803286342
Energy: 1.7079237172326163
Energy: 1.5316918879188994
Energy: 1.706057170711204
Energy: 1.7108516677435062
Energy: 1.8180119775564691
Energy: 1.7102266386473683
Energy: 1.7071780575777977
Energy: 1.5320287278945066
Energy: 1.5327790053162342
Energy: 1.7119580364273133
Energy: 1.7400805301121363
Energy: 1.7136546821608325
Energy: 1.564494143217295
Energy: 1.532008765495817
Energy: 1.6703582059164337
Energy: 1.6708880984552315
Energy: 1.6644522698430397
Energy: 1.6707261912765485
Energy: 1.5318996275110477
Energy: 1.5324664704430633
Energy: 1.6699457870331156
Energy: 1.6706870062718049
Energy: 1.6643234727422398
Energy: 1.6710638630684673
Energy: 1.671505585906583
Energy: 1.5464570473698462
Energy: 1.6746867237621903
Energy: 1.7124404431645082
Energy: 1.7369468265888595
Energy: 1.7114977916642191
Energy: 1.5352737661441278
Energy: 1.7613346365951936
Energy: 1.8211259194585252
Energy: 1.822475827885928
Energy: 1.7980435447039398
Energy: 1.8186623452090755
Energy: 1.8206770600265523
Energy: 1.5358626379802827
Energy: 1.8211354026702795
Energy: 1.8202085527715286
Energy: 1.7988304766047312
Energy: 1.818225328058569
Energy: 1.8205345283912575
Energy: 1.5470147880148093
Energy: 1.7439408621324726
Energy: 1.7154489678843088
Energy: 1.7374593301981658
Energy: 1.7110922554433106
Energy: 1.7691723782190103
Energy: 1.5998698743973128
Energy: 1.7170711960922722
Energy: 1.711991302811907
Energy: 1.736298672915993
Energy: 1.7117856257391053
Energy: 1.7167874907221576

minimum gb energy = 1.5316918879188994 eV
minimum distance =  2.19513836306816 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.455618806136536
Energy: 1.6516052552155995
Energy: 1.6722616429444537
Energy: 1.6414731946846781
Energy: 1.651230383789443
Energy: 1.7303784713671035
Energy: 1.6421727523801237
Energy: 1.9013751427970587
Energy: 1.6512952581786304
Energy: 1.6112247472613015
Energy: 1.6883228745397167
Energy: 1.795318369227179
Energy: 1.662400168932165
Energy: 1.793018245506401
Energy: 1.9081861841206937
Energy: 1.6118985014283
Energy: 1.7839961826556512
Energy: 1.8125767997151532
Energy: 1.8333234010469872
Energy: 1.785217273350729
Energy: 1.7844850274227841
Energy: 1.8050934352186518
Energy: 1.7847404477547157
Energy: 1.8284183294455691
Energy: 1.6763224485862336
Energy: 1.793361636642209
Energy: 1.7312982650461661
Energy: 1.6113493407814883
Energy: 1.8515491923187604
Energy: 1.8139199043580452
Energy: 1.8449285920562595
Energy: 1.800890952796807
Energy: 1.7597558828131186
Energy: 1.6109878623478335
Energy: 1.9086745748396803
Energy: 1.8000753313440145
Energy: 1.6409958845374057
Energy: 1.7934263559877022
Energy: 1.8437141930154353
Energy: 1.8404666801567449
Energy: 1.7879441907116975
Energy: 1.7933159915865153
Energy: 1.6777494595393232
Energy: 1.7932958115424877
Energy: 1.7579469326678279
Energy: 1.6112078294330492
Energy: 1.9074608318646016
Energy: 1.793298776936302
Energy: 1.6094461608253499
Energy: 1.651172887945893
Energy: 1.6509743652560638
Energy: 1.6115552080422313
Energy: 1.651217329168351
Energy: 1.7851524860047854
Energy: 1.6106431568989623
Energy: 1.6509511890080162
Energy: 1.6513382410049027
Energy: 1.641015899408853
Energy: 1.6512594932540692
Energy: 1.7876452457353142
Energy: 1.642068597744316
Energy: 1.7922083004092104
Energy: 1.6517385062200336
Energy: 1.6743319509060464
Energy: 1.6878493336825078
Energy: 1.7917229003816595
Energy: 1.6614687294114767
Energy: 1.8455688729264381
Energy: 1.846337170407487
Energy: 1.791468943451134
Energy: 1.8446635498972657
Energy: 1.8126433920061125
Energy: 1.9456864671264888
Energy: 1.8460385175750553
Energy: 1.845537706514705
Energy: 1.791351898770883
Energy: 1.8463762835089161
Energy: 1.8462842185872599
Energy: 1.6624872899734533
Energy: 1.8461157035297129
Energy: 1.791871073555603
Energy: 1.7008299197193146
Energy: 1.7846249482857135
Energy: 1.7433011070986475
Energy: 1.6409957902255674
Energy: 1.6508940913117327
Energy: 1.8044320273494359
Energy: 1.5696167620062627
Energy: 1.6878359881102023
Energy: 1.6407576547701117
Energy: 1.6109753111340286
Energy: 1.6514502771565367
Energy: 1.710578097314957
Energy: 1.6382068549505007
Energy: 1.6511628765369832
Energy: 1.6601311594143047
Energy: 1.6388682784412456
Energy: 1.6521128735283994
Energy: 1.7921502436276129
Energy: 1.6782347404839981
Energy: 1.7922319062212788
Energy: 1.6507318171657812
Energy: 1.6386371919103417
Energy: 1.7847545743257256
Energy: 1.812304474828103
Energy: 1.7921942560158166
Energy: 1.7845764160348674
Energy: 1.7846032129766776
Energy: 1.6381636749634796
Energy: 1.7839915312889993
Energy: 1.7841074109609774
Energy: 1.8206197417709504
Energy: 1.784704490122583
Energy: 1.9085288569228183
Energy: 1.6387586574807682
Energy: 1.7308412745781199
Energy: 1.72778891366313
Energy: 1.6618837867872114
Energy: 1.8397871072045646
Energy: 1.6390377060967931
Energy: 1.636954648815352
Energy: 1.7846391086388815
Energy: 1.8014817698244443
Energy: 1.832877353579546
Energy: 1.7840126292510685
Energy: 1.8062796352791375
Energy: 1.6378578934160426
Energy: 1.7845716776326552
Energy: 1.7933422367930008
Energy: 1.6965127565835565
Energy: 1.7859821287705158
Energy: 1.8397618667866091
Energy: 1.6112135510465384
Energy: 1.6511522810595074
Energy: 1.7933059635050537
Energy: 1.6775869077884698
Energy: 1.786952558607098
Energy: 1.6513753264050455
Energy: 1.611268669140451
Energy: 1.6509145889504968
Energy: 1.787567345231457
Energy: 1.63800358612339
Energy: 1.6511435013105518
Energy: 1.651292205224598
Energy: 1.640080915164341
Energy: 1.650842057535655
Energy: 1.688610458761376
Energy: 1.6379584356217112
Energy: 1.6513331759775698
Energy: 1.6506708876617326
Energy: 1.6628131926684666
Energy: 1.7563444487404782
Energy: 1.7940716912432275
Energy: 1.6406047913102524
Energy: 1.7852055679802523
Energy: 1.6971291344721817
Energy: 1.6616272604930975
Energy: 1.844357570884941
Energy: 1.8452402135187884
Energy: 1.7914091016472449
Energy: 1.846046982634768
Energy: 1.8464605442613866
Energy: 1.6614214206537588
Energy: 1.8444703002594018
Energy: 1.846717670289616
Energy: 1.865036918702737
Energy: 1.8444011551984707
Energy: 1.8128306867274953
Energy: 1.6780011291589987
Energy: 1.784587879536955
Energy: 1.6968559276895285
Energy: 1.677468620490473
Energy: 1.7313750793324467
Energy: 1.7920003448837896
Energy: 1.6390902534067235
Energy: 1.6507700724571617
Energy: 1.651040628017306
Energy: 1.6413008634704465
Energy: 1.6508489674343363
Energy: 1.7111979491090645

minimum gb energy = 1.5696167620062627 eV
minimum distance =  2.18877328310606 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.924878429640546
Energy: 1.6438175356150158
Energy: 1.6430867977982482
Energy: 1.4057841205383945
Energy: 1.689222100623869
Energy: 1.7985721306238391
Energy: 1.4058846109500835
Energy: 1.806698342051487
Energy: 1.4056051621030603
Energy: 1.4053071494328195
Energy: 1.6473408802957024
Energy: 1.4058919092889584
Energy: 1.4063642704243677
Energy: 1.644464882560118
Energy: 1.6492730619690004
Energy: 1.405330665788051
Energy: 1.6462404741054988
Energy: 1.4060070338355328
Energy: 1.6228645271842417
Energy: 1.6437946780959385
Energy: 1.6465597842796873
Energy: 1.4061427814308276
Energy: 1.6473886260773463
Energy: 1.642596542451081
Energy: 1.4059004519737754
Energy: 1.6435659987697957
Energy: 1.6434453082521938
Energy: 1.4054980501413632
Energy: 1.8082421769492765
Energy: 1.6438746958497008
Energy: 1.4066005762796912
Energy: 1.6432591772768355
Energy: 1.8346814530790132
Energy: 1.4058198175820802
Energy: 1.8056432601131913
Energy: 1.6446828539925054
Energy: 1.4073684079231212
Energy: 1.6888778994561027
Energy: 1.798730882498157
Energy: 1.931670779257983
Energy: 1.6438729251508064
Energy: 1.7005157200093195
Energy: 1.404454338374791
Energy: 1.4052012353252084
Energy: 1.834656779381354
Energy: 1.4058456205237992
Energy: 1.8071401932767792
Energy: 1.4054473848786686
Energy: 1.4053774365705205
Energy: 1.646065165907146
Energy: 1.6438219677319965
Energy: 1.4059774745453275
Energy: 1.6462021312443813
Energy: 1.8025576605361144
Energy: 1.5704632537882655
Energy: 1.646833792065742
Energy: 1.64310309614535
Energy: 1.662711217351608
Energy: 1.6435089633392987
Energy: 1.6464416339873134
Energy: 1.4059993791063223
Energy: 1.8688670001067778
Energy: 1.6439061731807294
Energy: 1.4058014366390308
Energy: 1.834711296801763
Energy: 1.4055488261510465
Energy: 1.6381450213410922
Energy: 1.8075900694943412
Energy: 1.6428032172763691
Energy: 1.4063284955680269
Energy: 1.6479677604802883
Energy: 1.4058006651013892

minimum gb energy = 1.404454338374791 eV
minimum distance =  2.25767650184519 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.075435663791431
Energy: 1.6067319178791881
Energy: 1.6068560157866882
Energy: 1.5831955920278575
Energy: 1.6066160276812123
Energy: 1.7969760448197831
Energy: 1.718144010536757
Energy: 1.7969952384989605
Energy: 1.6053573809865689
Energy: 1.6289747416570368
Energy: 1.6055155049919543
Energy: 1.6759688546803948
Energy: 1.7180103001790454
Energy: 1.8928117815024348
Energy: 1.8807274527083164
Energy: 1.6060541610698273
Energy: 1.8794869480723482
Energy: 1.6746876649325577
Energy: 1.5392845135929125
Energy: 1.8812956642480791
Energy: 1.8817763193274075
Energy: 1.606535743774514
Energy: 1.872416356744035
Energy: 1.8806649947577543
Energy: 1.649576927145685
Energy: 1.8798814227249059
Energy: 1.6750594011894433
Energy: 1.697330204477803
Energy: 1.8903811021617392
Energy: 1.7920193078027846
Energy: 1.6497164170368805
Energy: 1.6057929757020308
Energy: 1.803001776849143
Energy: 1.6984811122169738
Energy: 1.6060051404661395
Energy: 1.6059075333458122
Energy: 1.5822627538440481
Energy: 1.6071198849652615
Energy: 1.7243726774944061
Energy: 1.825811926255227
Energy: 1.6066551088536423
Energy: 1.606446105553605
Energy: 1.5834265797147993
Energy: 1.605380278269385
Energy: 1.7218582833807023
Energy: 1.6972812698393194
Energy: 1.6061227346542069
Energy: 1.6061572435783098
Energy: 1.5828596157532997
Energy: 1.8347955515190042
Energy: 1.7411967789752345
Energy: 1.6970897902312208
Energy: 1.8249783924338874
Energy: 1.8429150720293959
Energy: 1.5826301627512962
Energy: 1.8320077977405653
Energy: 1.8228948585289568
Energy: 1.664918403895068
Energy: 1.8226409940963455
Energy: 1.8390938415879912
Energy: 1.6783423404232476
Energy: 1.8489436970640019
Energy: 1.8680884219587848
Energy: 1.665404305378706
Energy: 1.8225392837188814
Energy: 1.6775908995844824
Energy: 1.678780241240781
Energy: 1.7244904471543119
Energy: 1.739961419425447
Energy: 1.6987927056128316
Energy: 1.7221184854816298
Energy: 1.6784911152177413
Energy: 1.642698882844691
Energy: 1.723896925201187
Energy: 1.7185136615896948
Energy: 1.6668164732950115
Energy: 1.7239024380968944
Energy: 1.8249991503145067
Energy: 1.6781527818132849
Energy: 1.7220164430450204
Energy: 1.723734573845112
Energy: 1.7124292828433383
Energy: 1.7216445190634984
Energy: 1.852917544297528
Energy: 1.6788221721074532
Energy: 1.820797724941203
Energy: 1.721452114345227
Energy: 1.6763102721458771
Energy: 1.722513901685358
Energy: 1.7557076530965627
Energy: 1.7555259695105776
Energy: 1.7217072479991296
Energy: 1.720121553199658
Energy: 1.6952420601259297
Energy: 1.7221173497926023
Energy: 1.7745163703405766
Energy: 1.676654444179076
Energy: 1.722351679826987
Energy: 1.7385851624456574
Energy: 1.696971366092349
Energy: 1.7215604430413745
Energy: 1.8617865306897234
Energy: 1.677582330101015
Energy: 1.7560305554559874
Energy: 1.722265467646639
Energy: 1.6745885808691408
Energy: 1.8683391683505075
Energy: 1.678000487329588
Energy: 1.583153920859588
Energy: 1.8413601576186132
Energy: 1.8323761479306337
Energy: 1.7592949932783484
Energy: 1.8335494079848633
Energy: 1.8411795738410464
Energy: 1.5837546200865242
Energy: 1.8251182225832134
Energy: 1.7236222274402553
Energy: 1.674538973216292
Energy: 1.822228966168966
Energy: 1.833499663191912
Energy: 1.582077924455311
Energy: 1.6064928727786003
Energy: 1.7225050298959008
Energy: 1.6985914591968752
Energy: 1.7786646512485962
Energy: 1.582725360628596
Energy: 1.5819092099269496
Energy: 1.6058370158553543
Energy: 1.6647233073850356
Energy: 1.7766384804803
Energy: 1.6063857838990878
Energy: 1.6151167042589452
Energy: 1.648897426864805
Energy: 1.6053322414083102
Energy: 1.6771290622551245
Energy: 1.6778840177861976
Energy: 1.6059899700491531
Energy: 1.605198517912661
Energy: 1.6493547236099824
Energy: 1.7925704862451441
Energy: 1.6739184842976602
Energy: 1.6989821054231222
Energy: 1.8884444909061664
Energy: 1.6067038786747685
Energy: 1.7802772022024391
Energy: 1.8794820157549403
Energy: 1.886508963119797
Energy: 1.6069534379122803
Energy: 1.8807072235168645
Energy: 1.8874664848000051
Energy: 1.718640946962886
Energy: 1.8817199854461797
Energy: 1.881001316886078
Energy: 1.5396650561834462
Energy: 1.8723482402784561
Energy: 1.675910612716328
Energy: 1.718006055110541
Energy: 1.8981790647240147
Energy: 1.605744178552149
Energy: 1.6288271818424063
Energy: 1.607636371336769
Energy: 1.6754554889358904
Energy: 1.648879090895614
Energy: 1.6059303683201003
Energy: 1.605798775736232
Energy: 1.628574694540119
Energy: 1.6057508329829713
Energy: 1.721924782990913
Energy: 1.6768651467591906
Energy: 1.6065616703627665
Energy: 1.6057452304738442
Energy: 1.581991841449327
Energy: 1.6053958605923062
Energy: 1.7224287489373398
Energy: 1.718265790796449
Energy: 1.7217257057356419
Energy: 1.5828627100779118
Energy: 1.5819689920715239
Energy: 1.8448767504249568
Energy: 1.6745056414007542
Energy: 1.756793722626377
Energy: 1.8228833833843776
Energy: 1.8319969061003119
Energy: 1.8465078527374386
Energy: 1.8222333823017831
Energy: 1.7219084315287891
Energy: 1.756816810610869
Energy: 1.8241501577437016
Energy: 1.8551357964874822
Energy: 1.6102505569824757
Energy: 1.841471218021299
Energy: 1.8652631893363503
Energy: 1.7179633036005226
Energy: 1.722542936942078
Energy: 1.678167202112939
Energy: 1.6785674822409402
Energy: 1.8223119925447344
Energy: 1.6743708805717508
Energy: 1.7176602350119965
Energy: 1.7223035580184851
Energy: 1.7225134384083693
Energy: 1.7740126163807721
Energy: 1.7215512399355102
Energy: 1.7399061310367547
Energy: 1.6919320180129827
Energy: 1.7222973908499708
Energy: 1.7226587626283811
Energy: 1.6749206841850688
Energy: 1.7216619306422345
Energy: 1.7219418495049637
Energy: 1.663525377392075
Energy: 1.8115791751123533
Energy: 1.799168469922451
Energy: 1.6791006735964684
Energy: 1.80815868952369
Energy: 1.6643926765586008
Energy: 1.6929010884759923
Energy: 1.7223481503459641
Energy: 1.7222499417841697
Energy: 1.6767751322458415
Energy: 1.7218382383842392
Energy: 1.7198998658929296
Energy: 1.7059418477949964
Energy: 1.7383150760129205
Energy: 1.7744173868293789
Energy: 1.667512145517998
Energy: 1.7217353977371148
Energy: 1.7388245740550914
Energy: 1.718002649159886
Energy: 1.7221605737439734
Energy: 1.6783482149298576
Energy: 1.6785169842608734
Energy: 1.8686949561347308
Energy: 1.6746290384443432
Energy: 1.649021690881816
Energy: 1.8225681559531992
Energy: 1.8549763715198244
Energy: 1.6786325026286832
Energy: 1.8415945098320923
Energy: 1.8222031514414752
Energy: 1.7178820013504914
Energy: 1.8221573000078948
Energy: 1.8344500015414824
Energy: 1.8495773698091496
Energy: 1.8225939117799292
Energy: 1.722492619666432
Energy: 1.717930029909893
Energy: 1.721785167927341
Energy: 1.7814358265908579
Energy: 1.5823481124937804
Energy: 1.8412281025740755
Energy: 1.674800056532412
Energy: 1.6770299872822796
Energy: 1.6055300305694804
Energy: 1.605259586121055
Energy: 1.5835542339656439
Energy: 1.605456573563937
Energy: 1.8058366372264731

minimum gb energy = 1.5392845135929125 eV
minimum distance =  2.17397644872951 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.7571461017109127
Energy: 1.5858065233719965
Energy: 1.484309399540863
Energy: 1.482498968586349
Energy: 1.5841582726895842
Energy: 1.715549663684902
Energy: 1.4407608036551771
Energy: 1.704509866738892
Energy: 1.5830385229758486
Energy: 1.6475963292518379
Energy: 1.5832007655681777
Energy: 1.6866260130911233
Energy: 1.4417490173957994
Energy: 1.7031412057258888
Energy: 1.703493403962975
Energy: 1.583990939579724
Energy: 1.705469514633409
Energy: 1.6876125395476957
Energy: 1.436875956807536
Energy: 1.7036566647860651
Energy: 1.7034171987999178
Energy: 1.631907047620122
Energy: 1.7037194824799278
Energy: 1.437693348256997
Energy: 1.4364608794809857
Energy: 1.7041830991451323
Energy: 1.7039315096569772
Energy: 1.6863077546300957
Energy: 1.7039419073090543
Energy: 1.632380423359513
Energy: 1.439717585277345
Energy: 1.5830738547486771
Energy: 1.6867254623804167
Energy: 1.5846192027480743
Energy: 1.583752740839839
Energy: 1.5828392441395323
Energy: 1.480621462877645
Energy: 1.5835444822247327
Energy: 1.5842204610212547
Energy: 1.7513984565863538
Energy: 1.5841776106887273
Energy: 1.5841479880413847
Energy: 1.483284372530725
Energy: 1.5832194318126886
Energy: 1.7032409166687414
Energy: 1.5840420650794687
Energy: 1.584184607727216
Energy: 1.583584887958393
Energy: 1.482509258382389
Energy: 1.584357290297701
Energy: 1.7032910024110737
Energy: 1.583037981712386
Energy: 1.7168908598757617
Energy: 1.4826096295790008
Energy: 1.4833472177572065
Energy: 1.584147672918364
Energy: 1.6865574571939976
Energy: 1.6862048132582876
Energy: 1.5839685549726759
Energy: 1.482644892036054
Energy: 1.4410163891821217
Energy: 1.583616617927608
Energy: 1.7190572527725603
Energy: 1.686136266265394
Energy: 1.5834152816189484
Energy: 1.5843558458389868
Energy: 1.4415189371748438
Energy: 1.7046520397217897
Energy: 1.6862270677232887
Energy: 1.6860070734944572
Energy: 1.7048518692530161
Energy: 1.5843852822390845
Energy: 1.4392899316822179
Energy: 1.7050602309487972
Energy: 1.6333584516366724
Energy: 1.5857386018498159
Energy: 1.7045025080566916
Energy: 1.7048365961498806
Energy: 1.4415646372073163
Energy: 1.704063202150081
Energy: 1.7037788697771836
Energy: 1.689982812211847
Energy: 1.704121558699133
Energy: 1.7043817212344825
Energy: 1.4419487448493409
Energy: 1.7045577583955525
Energy: 1.584095213743563
Energy: 1.6480290413129368
Energy: 1.5849854588001857
Energy: 1.6862454690005273
Energy: 1.4352565533979753
Energy: 1.5837873662333282
Energy: 1.5842217119385704
Energy: 1.4411580577419218
Energy: 1.5843526718847567
Energy: 1.630683682889404
Energy: 1.4359250517059399
Energy: 1.5838355654231644
Energy: 1.5836280619615055
Energy: 1.6008778860149255
Energy: 1.5834315592001673
Energy: 1.705315058097542
Energy: 1.4409624471863005
Energy: 1.7163649977999877
Energy: 1.5840192791179946
Energy: 1.4808035685438992
Energy: 1.586909969047314
Energy: 1.686613919777877
Energy: 1.436153713141741
Energy: 1.6860431615549352
Energy: 1.5836375365946282
Energy: 1.5674107436421012
Energy: 1.5831635160269246
Energy: 1.7050907313025445

minimum gb energy = 1.4352565533979753 eV
minimum distance =  2.18206616127634 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.225520323387548
Energy: 1.4824932502686174
Energy: 1.3880424356991365
Energy: 1.3883493700281626
Energy: 1.3892024633800688
Energy: 1.6030173619245338
Energy: 1.729017993035864
Energy: 1.5847603184809052
Energy: 1.4814302676844637
Energy: 1.5205120529465177
Energy: 1.4793320812277408
Energy: 1.5837437286613945
Energy: 1.728776954932963
Energy: 1.5887830129153016
Energy: 1.588199292260808
Energy: 1.510802698986891
Energy: 1.587772939188096
Energy: 1.586816637302286
Energy: 1.7275982893742903
Energy: 1.586425425125718
Energy: 1.5891108644166008
Energy: 1.5109403456024708
Energy: 1.5879385793341672
Energy: 1.5826791094460906
Energy: 1.7276429490757654
Energy: 1.5862311939471316
Energy: 1.58816810841123
Energy: 1.6715880980427977
Energy: 1.586462790885775
Energy: 1.58214258010831
Energy: 1.7273545198385767
Energy: 1.5896369536973445
Energy: 1.5869084576726344
Energy: 1.6419919552269104
Energy: 1.5890899900621822
Energy: 1.6383109595835934
Energy: 1.5469257810198158
Energy: 1.5126888319039515
Energy: 1.588077082474045
Energy: 1.5698270193444963
Energy: 1.5882140179412298
Energy: 1.5114000612948482
Energy: 1.5000990230767621
Energy: 1.587631643950029
Energy: 1.5873296245146298
Energy: 1.638476551794014
Energy: 1.586707978529183
Energy: 1.5110915722664349
Energy: 1.5470628702864153
Energy: 1.4797161880213654
Energy: 1.5874058254506793
Energy: 1.5864886831977196
Energy: 1.588915260533049
Energy: 1.4806159309780662
Energy: 1.5476402583887139
Energy: 1.4799849055030283
Energy: 1.4803501536884633
Energy: 1.587711994152759
Energy: 1.480982681295648
Energy: 1.479739362243394
Energy: 1.3928047101675525
Energy: 1.4797327927640267
Energy: 1.4797618788201525
Energy: 1.5896557299468523
Energy: 1.4792933142494695
Energy: 1.4829681568402753
Energy: 1.386019515581148
Energy: 1.4811372266009257
Energy: 1.5887237618043029
Energy: 1.5859345684857244
Energy: 1.5929545556453126
Energy: 1.387570071833401
Energy: 1.4347344447538264
Energy: 1.4792009969496758
Energy: 1.5884865617252972
Energy: 1.5840663132608717
Energy: 1.4800143403638286
Energy: 1.3885826045332377
Energy: 1.3654722220949422
Energy: 1.4813927667629938
Energy: 1.5786680164649471
Energy: 1.5868639213940987
Energy: 1.4810427690974508
Energy: 1.5215148979237105
Energy: 1.5478473572596376
Energy: 1.4819101410992963
Energy: 1.5878278548793952
Energy: 1.5869508829873076
Energy: 1.5846600344743151
Energy: 1.521047790633214
Energy: 1.5477947673981367
Energy: 1.5866568078619911
Energy: 1.5847129250910383
Energy: 1.6382495274231637
Energy: 1.5865424605126348
Energy: 1.5879361646986516
Energy: 1.5474705621173366
Energy: 1.592039516952093
Energy: 1.5822021939861302
Energy: 1.5824421422394115
Energy: 1.5871515901372606
Energy: 1.5127982536402955
Energy: 1.7266924071133891
Energy: 1.5869340791568571
Energy: 1.5864698235774768
Energy: 1.6682312889578192
Energy: 1.5876341609810558
Energy: 1.5872128037145454
Energy: 1.5455048967522538
Energy: 1.5864742561169263
Energy: 1.6379141866293614
Energy: 1.6250634529375827
Energy: 1.5865286092398565
Energy: 1.586256129187673
Energy: 1.543871145733785
Energy: 1.58674629803282
Energy: 1.5127340004773842
Energy: 1.521311796911941
Energy: 1.5917984491592427
Energy: 1.586766390757257
Energy: 1.7288272824612596
Energy: 1.5868041901855559
Energy: 1.5887833601289671
Energy: 1.3621792054520627
Energy: 1.5862714996925982
Energy: 1.587646078773687
Energy: 1.7286465311165136
Energy: 1.5861419991729626
Energy: 1.4805565141727712
Energy: 1.5233967571311093
Energy: 1.479464252641878
Energy: 1.5881979695321795
Energy: 1.5442969862542084
Energy: 1.4814684513051422
Energy: 1.4805988980053113
Energy: 1.521549288274177
Energy: 1.4811961613394358
Energy: 1.5879270108258838
Energy: 1.7265117772906224
Energy: 1.4799881201158693
Energy: 1.480117651952839
Energy: 1.3902421407449563
Energy: 1.4788973550579538
Energy: 1.584323777529923
Energy: 1.727404118897507
Energy: 1.5885462257275724
Energy: 1.387830859788106
Energy: 1.3873723688173594
Energy: 1.5951781883094496
Energy: 1.5865998812041706
Energy: 1.3610098373993165
Energy: 1.4801161845886446
Energy: 1.480528375475189
Energy: 1.388584013640173
Energy: 1.4794073568318162
Energy: 1.5782022432732181

minimum gb energy = 1.3610098373993165 eV
minimum distance =  2.16380957216124 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.5493783546946687
Energy: 1.294267303354122
Energy: 1.2945221695427889
Energy: 1.294093624886547
Energy: 1.273524259772951
Energy: 1.4966853460876681
Energy: 1.544130247757798
Energy: 1.4839031971715726
Energy: 1.3667154352575288
Energy: 1.393335597962302
Energy: 1.367238876236352
Energy: 1.4845463279843425
Energy: 1.7882450230424944
Energy: 1.4836891379108124
Energy: 1.4666654463522397
Energy: 1.4140568883316633
Energy: 1.4662223806582462
Energy: 1.4834301581283091
Energy: 2.0284558775204737
Energy: 1.4665629973384737
Energy: 1.4684251061198996
Energy: 1.4136171377544542
Energy: 1.4665511553635153
Energy: 1.4764717483053993
Energy: 2.0296724276879585
Energy: 1.466358183361739
Energy: 1.4667651952502696
Energy: 1.5028300770057033
Energy: 1.4660863948976428
Energy: 1.476703334485992
Energy: 1.7882030062746244
Energy: 1.4846389865485266
Energy: 1.48448503842352
Energy: 1.5044145657188186
Energy: 1.4846880721844653
Energy: 1.484390046532651
Energy: 1.5458037547353125
Energy: 1.4853749871597597
Energy: 1.4845161938544378
Energy: 1.4842498415031558
Energy: 1.4849851157727396
Energy: 1.4847000454000427
Energy: 1.5388766051736995
Energy: 1.4850524429122556
Energy: 1.4963194614329025
Energy: 1.5040546534126589
Energy: 1.4846356346708758
Energy: 1.476072967944702
Energy: 1.545945034910445
Energy: 1.4844250122947145
Energy: 1.4854100550430622
Energy: 1.4845171773156731
Energy: 1.4848208727469636
Energy: 1.4699684887944773
Energy: 1.5446937208146418
Energy: 1.466720419782983
Energy: 1.4674775383879985
Energy: 1.4855992933320945
Energy: 1.4667133994545147
Energy: 1.5034510450166596
Energy: 1.4078217851886656
Energy: 1.4664606937701383
Energy: 1.4665052833161776
Energy: 1.5154761559661734
Energy: 1.4662663485300995
Energy: 1.4132904674891311
Energy: 1.4074565030896602
Energy: 1.4129785378009077
Energy: 1.4832599879222295
Energy: 1.4846807283310246
Energy: 1.4667009255541017
Energy: 1.413595655742538
Energy: 1.4056506295513391
Energy: 1.3660685055396669
Energy: 1.4838112829515253
Energy: 1.4967608938318098
Energy: 1.3675965577916385
Energy: 1.391917951033193
Energy: 1.2932901383179949
Energy: 1.3666065966119894
Energy: 1.4673903929207797
Energy: 1.4659812075478027
Energy: 1.367384698262187
Energy: 1.2942691813665919
Energy: 1.2966345857726216
Energy: 1.3664035686872675
Energy: 1.4840210777400062
Energy: 1.4836993201873347
Energy: 1.2956375090140488
Energy: 1.3660598789010718
Energy: 1.2955519472329873
Energy: 1.3668581037840488
Energy: 1.483895855154718
Energy: 1.483780074599028
Energy: 1.4660769323697833
Energy: 1.2940463989366595
Energy: 1.2931059844223298
Energy: 1.2961330449105504
Energy: 1.4444811843381677
Energy: 1.4776739845478453
Energy: 1.3670858417832232
Energy: 1.2945525794034636
Energy: 1.4059910245248106
Energy: 1.3664364801303863
Energy: 1.4683300927841625
Energy: 1.4776238640007608
Energy: 1.366413499916446
Energy: 1.3921000328529487
Energy: 1.4072374408216606
Energy: 1.467273174570184
Energy: 1.4829839095029358
Energy: 1.484606229965351
Energy: 1.4839152068214714
Energy: 1.4127205965329466
Energy: 1.4076855946500288
Energy: 1.4668636606925527
Energy: 1.4668856218208042
Energy: 1.4770135273540963
Energy: 1.4665556469016294
Energy: 1.4665291633114925
Energy: 1.5412930383764507
Energy: 1.4667954185679317
Energy: 1.4762455975993818
Energy: 1.4764938400655723
Energy: 1.4671655619357364
Energy: 1.4690698907425697
Energy: 1.545359956359175
Energy: 1.4717244362585025
Energy: 1.4855285088505075
Energy: 1.4780201326126083
Energy: 1.4848361598976507
Energy: 1.4703053214389183
Energy: 1.5439157345143057
Energy: 1.4846585684081977
Energy: 1.4963511261210276
Energy: 1.5082608301302938
Energy: 1.4845682111279397
Energy: 1.4843564469577657
Energy: 1.7868715939275344
Energy: 1.4849279726365598
Energy: 1.4843433124731884
Energy: 1.475924618882334
Energy: 1.484883307215853
Energy: 1.4849749690405205
Energy: 1.7896445698658638
Energy: 1.4844939447769199
Energy: 1.5046678930111297
Energy: 1.5102100834262726
Energy: 1.4846688560593269
Energy: 1.4842353666772954
Energy: 1.7921136421404102
Energy: 1.4667492558918078
Energy: 1.466293173375087
Energy: 1.502820448835432
Energy: 1.4666624593766033
Energy: 1.4670673098359772
Energy: 1.791681107621849
Energy: 1.4665338462239434
Energy: 1.412757101139133
Energy: 1.4136464076934219
Energy: 1.4667310471850994
Energy: 1.4669747010653391
Energy: 1.5513363774291207
Energy: 1.46667566397538
Energy: 1.4131123952792901
Energy: 1.413933034990187
Energy: 1.4660383818863425
Energy: 1.4836619678330376
Energy: 1.5515233307246319
Energy: 1.4839274702260727
Energy: 1.3678874478826568
Energy: 1.3931100412687798
Energy: 1.3666030037127392
Energy: 1.4842546544353465
Energy: 1.7908612873573508
Energy: 1.2943672336154757
Energy: 1.2957572495811391
Energy: 1.273664832268109
Energy: 1.2957651449832017
Energy: 1.467770400931283
Energy: 1.5521467417857535
Energy: 1.4699559204151824
Energy: 1.3664716621443735
Energy: 1.295702997303684
Energy: 1.3672675135462455
Energy: 1.4843254667221761
Energy: 1.7875360871030652
Energy: 1.4834377278823834
Energy: 1.2943614217806771
Energy: 1.2955693798576042
Energy: 1.294697106801812
Energy: 1.4833164243711763
Energy: 2.04285076425821
Energy: 1.3663420431643079
Energy: 1.2946809471873935
Energy: 1.2955839953568131
Energy: 1.367399458564192
Energy: 1.4439494907768253

minimum gb energy = 1.273524259772951 eV
minimum distance =  2.16232515996893 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.435281484718083
Energy: 1.1410360655807799
Energy: 1.1430259327396917
Energy: 1.2695696391980162
Energy: 1.1415305558319002
Energy: 1.306017738636399
Energy: 2.1891817843628654
Energy: 1.2976266705405048
Energy: 1.2024382270123921
Energy: 1.2167359166617924
Energy: 1.207994702252986
Energy: 1.296130553559266
Energy: 2.175601798489281
Energy: 1.294916006591146
Energy: 1.2758056273375817
Energy: 1.2358548956813329
Energy: 1.2297481916019284
Energy: 1.3137774456500884
Energy: 2.008936139177417
Energy: 1.2284715588379038
Energy: 1.2273317442803742
Energy: 1.2328344329898269
Energy: 1.2291441951525612
Energy: 1.2921406532694475
Energy: 2.011011518140778
Energy: 1.2280371253619822
Energy: 1.2271671407191889
Energy: 1.2969877282254205
Energy: 1.2297460891434735
Energy: 1.292481250821826
Energy: 2.1741458890675287
Energy: 1.3116562989851381
Energy: 1.3117388331406783
Energy: 1.304293320869289
Energy: 1.3121790511593097
Energy: 1.3125540478245639
Energy: 2.187534139370331
Energy: 1.3126108175024709
Energy: 1.3137166824922741
Energy: 1.3277735922348424
Energy: 1.312490205403569
Energy: 1.3465453746200187
Energy: 1.6373758789663793
Energy: 1.3123519298356214
Energy: 1.3118830353232196
Energy: 1.294493939074642
Energy: 1.312195711772079
Energy: 1.3257369857401946
Energy: 2.1886071952199977
Energy: 1.3305880175883227
Energy: 1.312356119459017
Energy: 1.312556805463881
Energy: 1.3117715127509324
Energy: 1.330442584767953
Energy: 1.9618172241692224
Energy: 1.329676592755255
Energy: 1.3284844093661627
Energy: 1.3295988961019747
Energy: 1.3302854565878284
Energy: 1.3300486136918002
Energy: 1.6400802377167603
Energy: 1.3296773130451784
Energy: 1.328958328992021
Energy: 1.322549554489288
Energy: 1.330876817668295
Energy: 1.3286168484789516
Energy: 1.589639765450418
Energy: 1.3289587032524246
Energy: 1.3295057140460689
Energy: 1.3296212273077308
Energy: 1.3302392619543895
Energy: 1.329106008249479
Energy: 1.7892449565810058
Energy: 1.313356771849777
Energy: 1.313286901419918
Energy: 1.3313176792242456
Energy: 1.3120288383472036
Energy: 1.3127473341180869
Energy: 1.4543746358836038
Energy: 1.3160524582771587
Energy: 1.3113532200029048
Energy: 1.3291564686472175
Energy: 1.311305388395503
Energy: 1.31175762181478
Energy: 1.3089367887219117
Energy: 1.3147618396303296
Energy: 1.3216063849782471
Energy: 1.329913240640872
Energy: 1.3120951707960598
Energy: 1.3291865088263801
Energy: 1.4505366832449933
Energy: 1.2450539439850123
Energy: 1.3127239769300494
Energy: 1.3125079088082945
Energy: 1.3127330033895879
Energy: 1.283807193881436
Energy: 1.4527409392815498
Energy: 1.2257231079142064
Energy: 1.3111497958727216
Energy: 1.312670920675142
Energy: 1.2276118033964312
Energy: 1.2964187041774564
Energy: 1.2273368279500532
Energy: 1.2280808073409206
Energy: 1.2779631248785852
Energy: 1.3310572517755068
Energy: 1.2762189410975977
Energy: 1.2266357798018557
Energy: 1.2273923567576408
Energy: 1.2253502421521774
Energy: 1.2946990901915372
Energy: 1.3116544494210853
Energy: 1.2943225459454764
Energy: 1.2257702807061162
Energy: 1.2229255635313758
Energy: 1.1434797124673493
Energy: 1.2842035463710566
Energy: 1.314200449173977
Energy: 1.1441990959346697
Energy: 1.2140658559158843
Energy: 1.1393989897509391
Energy: 1.1407459979323302
Energy: 1.2276414832910332
Energy: 1.3137678657205638
Energy: 1.1413978701428726
Energy: 1.1404565965590063
Energy: 1.1445869102287392
Energy: 1.1437625147207795
Energy: 1.2951750925007757
Energy: 1.3138095169578088
Energy: 1.2971538160234175
Energy: 1.1435364602862306
Energy: 1.1436591613126936
Energy: 1.1977084223138046
Energy: 1.2962124527048877
Energy: 1.3145802736162027
Energy: 1.2780020799461085
Energy: 1.1424270738794748
Energy: 1.1399225950261445
Energy: 1.140462846497663
Energy: 1.2919834776903958
Energy: 1.2924691245866007
Energy: 1.1401319744956677
Energy: 1.1407752354628307
Energy: 1.2235709378427064
Energy: 1.1440798558585747
Energy: 1.29524671254821
Energy: 1.3301279078530472
Energy: 1.2035814911839584
Energy: 1.214762698973695
Energy: 1.225494884693576
Energy: 1.2279528436447467
Energy: 1.2946939591148159
Energy: 1.3121683964928865
Energy: 1.294497892470349
Energy: 1.234192867828461
Energy: 1.2253574634190476
Energy: 1.2297366822558338
Energy: 1.27639721230167
Energy: 1.3500001655029719
Energy: 1.2282948685303345
Energy: 1.233742196542739
Energy: 1.4538249399869319
Energy: 1.2277044863123638
Energy: 1.291590633390544
Energy: 1.3272654994153226
Energy: 1.2281643351567746
Energy: 1.2275618690996235
Energy: 1.454252610481752
Energy: 1.3122534793529055
Energy: 1.31233505185166
Energy: 1.32750874481735
Energy: 1.3119697217228892
Energy: 1.2266651681901608
Energy: 1.4743601735980698
Energy: 1.3111965759443787
Energy: 1.3147628604159631
Energy: 1.3303995476054293
Energy: 1.3132708049540747
Energy: 1.3116864311981906
Energy: 1.451192571741785
Energy: 1.3123524594219391
Energy: 1.3259113835524876
Energy: 1.3261454457352762
Energy: 1.3121371273101172
Energy: 1.3118881778418816
Energy: 1.8018727004057011
Energy: 1.3118949775586437
Energy: 1.333043859884639
Energy: 1.3309954793950058
Energy: 1.312940077616451
Energy: 1.312320051886971
Energy: 1.8015646931138873
Energy: 1.3295300491187159
Energy: 1.3298086930256297
Energy: 1.3298453638405208
Energy: 1.330243323702912
Energy: 1.3286724928906601
Energy: 1.8015842573925946
Energy: 1.3298930336658301
Energy: 1.3288314096816716
Energy: 1.3307655423656553
Energy: 1.3298632425343875
Energy: 1.3285511328295139
Energy: 2.0000380020149815
Energy: 1.3297483485595227
Energy: 1.3284127507482992
Energy: 1.3308449921830405
Energy: 1.3299184390859724
Energy: 1.3297668617474896
Energy: 2.1521061732413895
Energy: 1.3469346453716353
Energy: 1.3125974140094983
Energy: 1.3120812533072124
Energy: 1.3118071466170662
Energy: 1.3317671522386851
Energy: 1.8224925344733014
Energy: 1.3117834340459098
Energy: 1.3125000310049268
Energy: 1.304653902699415
Energy: 1.3121521018808127
Energy: 1.3284698936770953
Energy: 2.1526667298266164
Energy: 1.3129992414687162
Energy: 1.311367361063048
Energy: 1.3174328904866313
Energy: 1.320946291812783
Energy: 1.3457752637992269
Energy: 2.3738972349649194
Energy: 1.3120422596100076
Energy: 1.2958129799524198
Energy: 1.2963396777271048
Energy: 1.312084985158212
Energy: 1.3119553799704402
Energy: 2.191178458175796
Energy: 1.2286541024745066
Energy: 1.2271758570671736
Energy: 1.2963744813535196
Energy: 1.227653379364383
Energy: 1.3113443793419173
Energy: 2.1903561864334247
Energy: 1.2763704670682423
Energy: 1.2278393290136411
Energy: 1.2323715349258206
Energy: 1.2293153032481723
Energy: 1.276950533066724
Energy: 2.177715852642238
Energy: 1.294348930199434
Energy: 1.2258258909013364
Energy: 1.218928671076634
Energy: 1.2283050314969095
Energy: 1.2948237063218335
Energy: 2.184866434945329
Energy: 1.2772778486027987
Energy: 1.143306510809316
Energy: 1.2156842988607737
Energy: 1.143009070785008
Energy: 1.2968613905794217
Energy: 1.9979812539975275
Energy: 1.1403878018591074
Energy: 1.1408250354524327
Energy: 1.140624793652386
Energy: 1.1400096615472035
Energy: 1.3122704832371228
Energy: 2.1745391428226597
Energy: 1.2963030109158649
Energy: 1.142388513317336
Energy: 1.1429991141002536
Energy: 1.199022267775414
Energy: 1.2954870820810727
Energy: 2.192926732138459
Energy: 1.2954706563123424
Energy: 1.1438795166537903
Energy: 1.1428774555663166
Energy: 1.1982280553215767
Energy: 1.294722049655161
Energy: 2.3768336488548027
Energy: 1.142677452016822
Energy: 1.1406833911110805
Energy: 1.1400302994205054
Energy: 1.1403900092448547
Energy: 1.2923030342993913

minimum gb energy = 1.1393989897509391 eV
minimum distance =  2.21678585335536 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.40833781116179263
Energy: 0.49253340651904115
Energy: 0.49310859218334635
Energy: 0.4929179665231282
Energy: 0.5136242655979583
Energy: 0.3683545644927178
Energy: 28.718900985060248
Energy: 0.5114965128194249
Energy: 0.49239355007967384
Energy: 0.49308119617593077
Energy: 0.5110485179426073
Energy: 0.4923202411857257
Energy: 28.769795418217974
Energy: 0.4920040639299682
Energy: 0.4923102259738717
Energy: 0.4930350337100594
Energy: 0.4921609023072419
Energy: 0.49210775695946124
Energy: 0.34964720097250607
Energy: 0.4917671319117613
Energy: 0.4923447935608379
Energy: 0.4929076055338653
Energy: 0.4922126739826234
Energy: 0.34881464519140193
Energy: 0.34881174332859244
Energy: 0.49145034025074297
Energy: 0.4921057550858919
Energy: 0.4925581783869699
Energy: 0.4917307584336299
Energy: 0.34874572278107824
Energy: 28.93868468703052
Energy: 0.49174931515068837
Energy: 0.49234300015192034
Energy: 0.4936047057367411
Energy: 0.4923842691454342
Energy: 0.49162386261114155
Energy: 0.3487697697600573
Energy: 0.4919842487251022
Energy: 0.49213935851098667
Energy: 0.49299087337956105
Energy: 0.49212428802534786
Energy: 0.49221617798938644

minimum gb energy = 0.34874572278107824 eV
minimum distance =  2.39038015145342 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.4362971633007513
Energy: 1.081933672612014
Energy: 1.0818196043354336
Energy: 1.2650911895523678
Energy: 1.0890280658243925
Energy: 1.3557537831309765
Energy: 1.8331886929425811
Energy: 1.0814540430436694
Energy: 1.0805153209319303
Energy: 1.0838507047189028
Energy: 1.0796609100236931
Energy: 1.0815793756757328
Energy: 1.6704623755850836
Energy: 1.0682768924713832
Energy: 1.0970279621704582
Energy: 1.0989353803376742
Energy: 1.0974152977384533
Energy: 1.0941545558272758
Energy: 2.0052935175491324
Energy: 1.0800610447632335
Energy: 1.0798778463048606
Energy: 1.0798597312767948
Energy: 1.0798360867859336
Energy: 1.1896690962941672
Energy: 2.0061073935652667
Energy: 1.0800915327653922
Energy: 1.0819726070075575
Energy: 1.08052617989358
Energy: 1.080121453545412
Energy: 1.0807462401273848
Energy: 1.6686654182286509
Energy: 1.0651798430720432
Energy: 1.0829101861853632
Energy: 1.082452308112012
Energy: 1.0797760483385352
Energy: 1.0795415856525403
Energy: 1.8329094996400335
Energy: 1.0814021340454238
Energy: 1.0795537095943932
Energy: 1.082036134716432
Energy: 1.0798699112618422
Energy: 1.0819316825661778
Energy: 1.83173111190816
Energy: 1.2158418601103
Energy: 1.0816548951812923
Energy: 1.0947218802007588
Energy: 1.0808414599554348
Energy: 1.364633633358888
Energy: 1.6685854131711921
Energy: 1.0820316015441618
Energy: 1.0815802622560922
Energy: 1.080372285621322
Energy: 1.0816455842367643
Energy: 1.0971214035380041
Energy: 1.6691899208371273
Energy: 1.2322926571705646
Energy: 1.0811869429932845
Energy: 1.0835279920999425
Energy: 1.079864804206923
Energy: 1.332511683275847
Energy: 1.8297040573639949
Energy: 1.3347602024193361
Energy: 1.3364967338289517
Energy: 1.2319692931399329
Energy: 1.3390364622153546
Energy: 1.3369876144005681
Energy: 1.8294304775104522
Energy: 1.3347976298499271
Energy: 1.3336616249957365
Energy: 1.2308967698177764
Energy: 1.337925500676066
Energy: 1.3356683810497356
Energy: 1.8502492599703562
Energy: 1.3350674899057464
Energy: 1.3334743094670352
Energy: 1.0941247566496741
Energy: 1.3343259463828863
Energy: 1.3692050158262516
Energy: 1.8315257839550223
Energy: 1.36272522603301
Energy: 1.3687608821756758
Energy: 1.3588657697236735
Energy: 1.367842697756334
Energy: 1.3637182866763151
Energy: 1.8189098173001945
Energy: 1.368600241117491
Energy: 1.3624360400513325
Energy: 1.4058697866442038
Energy: 1.3633401647849972
Energy: 1.3677348879461801
Energy: 1.6690863195272343
Energy: 1.378585677805164
Energy: 1.366609285422647
Energy: 1.0943499549843327
Energy: 1.3651689702232888
Energy: 1.3630919220423896
Energy: 1.6966108890736449
Energy: 1.368145087744228
Energy: 1.3623644481179698
Energy: 1.3659232459465878
Energy: 1.365639885330974
Energy: 1.359462533272682
Energy: 1.8249008751954232
Energy: 1.2394397606247232
Energy: 1.3361758376317758
Energy: 1.370552796502392
Energy: 1.334628081139424
Energy: 1.2335400203435558
Energy: 1.6749434019977412
Energy: 1.335494268520647
Energy: 1.335056536801713
Energy: 1.3779248102304724
Energy: 1.3348184836984403
Energy: 1.230568304945295
Energy: 1.5061006479016334
Energy: 1.3357931417406241
Energy: 1.3353478546414217
Energy: 1.3622333004414748
Energy: 1.334344799432464
Energy: 1.2336132755224292
Energy: 1.4906024779902172
Energy: 1.081985183794668
Energy: 1.2308346163656818
Energy: 1.0972208939906376
Energy: 1.0798081754941884
Energy: 1.0792926532986258
Energy: 1.4891591937948065
Energy: 1.0789580423845087
Energy: 1.0818658319303693
Energy: 1.097286458480239
Energy: 1.0817792191477507
Energy: 1.0797464299322166
Energy: 1.205202409980845
Energy: 1.0808619375479898
Energy: 1.093919135472001
Energy: 1.3579154090201209
Energy: 1.1891843275182203
Energy: 1.0831362067099857
Energy: 1.2097665490331426
Energy: 1.079912678899951
Energy: 1.0816825725338908
Energy: 1.3335786122424211
Energy: 1.0812194354872986
Energy: 1.0827570557279822
Energy: 1.2106123931614177
Energy: 1.0831080563571522
Energy: 1.0650009422977091
Energy: 1.096933069610042
Energy: 1.0675428119090389
Energy: 1.0801633000826447
Energy: 1.2093288956287174
Energy: 1.0815196612283473
Energy: 1.0670557758425567
Energy: 1.305990818752501
Energy: 1.0799970483985155
Energy: 1.080516497656603
Energy: 1.078816152047784
Energy: 1.0796400481933754
Energy: 1.0658363808634976
Energy: 1.3049471640760228
Energy: 1.0795962256728842
Energy: 1.0797977653518869
Energy: 1.0968063769716296
Energy: 1.0970920659091032
Energy: 1.0651670669569941
Energy: 1.096512818425899
Energy: 1.0682021168352134
Energy: 1.0972364484825523
Energy: 1.0837421606379891
Energy: 1.080748508407589
Energy: 1.081959527665024
Energy: 1.334013974578075
Energy: 1.0814507645009526
Energy: 1.0806322017950452
Energy: 1.0933408531340014
Energy: 1.0813601826516335
Energy: 1.2153890034799364
Energy: 1.3634482071442524
Energy: 1.0727370352306604
Energy: 1.080697006354486
Energy: 1.2087231528640836
Energy: 1.0801596771441555
Energy: 1.096703058075543
Energy: 1.3337015820966134
Energy: 1.079523905669142
Energy: 1.0799380337858462
Energy: 1.210326186499751
Energy: 1.0824456223424965
Energy: 1.094855764087265
Energy: 1.0962902706011055
Energy: 1.0941690621945313
Energy: 1.0823194212296825
Energy: 1.20621734578785
Energy: 1.0802326827739395
Energy: 1.1914461097961973
Energy: 1.365659732498932
Energy: 1.081445750781901
Energy: 1.0791236766943524
Energy: 1.491407011147597
Energy: 1.0823385783404587
Energy: 1.081918376812137
Energy: 1.3542856858594092
Energy: 1.0818077008849205
Energy: 1.079805810263958
Energy: 1.493047862243938
Energy: 1.0811996716453334
Energy: 1.0963403688265696
Energy: 1.096314937061304
Energy: 1.0819289678871868
Energy: 1.0793567123667467
Energy: 1.5223655623191414
Energy: 1.232355005045426
Energy: 1.3347582092141632
Energy: 1.3350112632762559
Energy: 1.3346378457495773
Energy: 1.2331985346754057
Energy: 1.6719340493962225
Energy: 1.3361224662039746
Energy: 1.3693044924703852
Energy: 1.3356190688835672
Energy: 1.2393450023038706
Energy: 1.2313267744981795
Energy: 1.669054141195339
Energy: 1.2335534634798142
Energy: 1.3338454404776607
Energy: 1.3661471719178824
Energy: 1.2396846202358842
Energy: 1.212929863334263
Energy: 1.667704799039003
Energy: 1.3401876288950072
Energy: 1.3633162967396106
Energy: 1.3628642568425606
Energy: 1.365960321543295
Energy: 1.337843207457825
Energy: 1.6700081488899154
Energy: 1.3625375017565606
Energy: 1.3650283914455517
Energy: 1.2313875774376073
Energy: 1.3663305182948535
Energy: 1.3679453029841808
Energy: 1.6691902173799373
Energy: 1.3653479988640167
Energy: 1.3629183588092766
Energy: 1.3629515152268374
Energy: 1.363844736993096
Energy: 1.3657098067418263
Energy: 1.6697561308478577
Energy: 1.3653733067221192
Energy: 1.3654416854418723
Energy: 1.3674941334488429
Energy: 1.3649180251595325
Energy: 1.3666223536358177
Energy: 1.6711332508222478
Energy: 1.2424216019828958
Energy: 1.3346045496642134
Energy: 1.232383291130288
Energy: 1.338161120776591
Energy: 1.3639851686960593
Energy: 2.0419352005913027
Energy: 1.334063236358038
Energy: 1.233812015836431
Energy: 1.232141631486635
Energy: 1.2405468235045298
Energy: 1.2396801423172286
Energy: 2.058429023896988
Energy: 1.353699303426497
Energy: 1.336584791052733
Energy: 1.232123803973236
Energy: 1.3343427070829776
Energy: 1.3678875023366854
Energy: 2.042230028177624
Energy: 1.33418685262091
Energy: 1.2325852254666065
Energy: 1.2143585612154135
Energy: 1.2311638854420093
Energy: 1.3342541812156368
Energy: 1.668567957487111
Energy: 1.081960093583107
Energy: 1.078984933542836
Energy: 1.0817970902628893
Energy: 1.0790855633732284
Energy: 1.0961866412427963
Energy: 1.9879393515196253
Energy: 1.0813124947442858
Energy: 1.0824034846983273
Energy: 1.0807301763182295
Energy: 1.0817838746603556
Energy: 1.3054999112842092
Energy: 1.9878988404265854
Energy: 1.1904351029237819
Energy: 1.079735357437695
Energy: 1.0807784337749058
Energy: 1.0798057753916455
Energy: 1.304604831652265
Energy: 1.7027533350197315
Energy: 1.0652589891490054
Energy: 1.081663103907628
Energy: 1.0809242449582552
Energy: 1.0812477629171304
Energy: 1.0821788180564114
Energy: 1.989408793300634
Energy: 1.081381084564622
Energy: 1.080119243935371
Energy: 1.0826866995236586
Energy: 1.080992797716794
Energy: 1.0984273834880542

minimum gb energy = 1.0650009422977091 eV
minimum distance =  2.23083396922165 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.5975999575553126
Energy: 1.1998627113120734
Energy: 1.1943340203673938
Energy: 1.1998417912127572
Energy: 1.1947790775948257
Energy: 1.5466056597566311
Energy: 1.5963779811640548
Energy: 1.2104324479026958
Energy: 1.2078030057530889
Energy: 1.207656059084337
Energy: 1.2077204919804678
Energy: 1.2102791302794735
Energy: 1.5979159654436217
Energy: 1.1912462049354315
Energy: 1.2324171974436775
Energy: 1.2295625826029057
Energy: 1.2319686022687322
Energy: 1.1909860312929752
Energy: 1.8293321483406466
Energy: 1.2101736909681713
Energy: 1.210322509095308
Energy: 1.209590478444616
Energy: 1.2103943405279909
Energy: 1.3514911141563892
Energy: 1.593685484207421
Energy: 1.2122379832265684
Energy: 1.2102094165580468
Energy: 1.2093732199206257
Energy: 1.2108264248831233
Energy: 1.1987585972464871
Energy: 1.5960284667975915
Energy: 1.191440899701466
Energy: 1.2102572778411658
Energy: 1.209309746211241
Energy: 1.2079906919957237
Energy: 1.509971530859002
Energy: 1.5955626567740362
Energy: 1.2102634201315199
Energy: 1.2122223202279578
Energy: 1.211969294841162
Energy: 1.2112650605715984
Energy: 1.2101736141339754
Energy: 1.840636583096027
Energy: 1.21199770982473
Energy: 1.3847144433009766
Energy: 1.2095091814936914
Energy: 1.211473586428221
Energy: 1.5071783831989745
Energy: 1.5987109031658742
Energy: 1.211493723528455
Energy: 1.2106209592191302
Energy: 1.1883199766424566
Energy: 1.2106337806826284
Energy: 1.2102082190942633
Energy: 1.596978337996503
Energy: 1.5280706411650087
Energy: 1.2131766654292753
Energy: 1.2098809983106922
Energy: 1.2109452863145647
Energy: 1.5284609463497765
Energy: 1.7995722494678192
Energy: 1.531485171284993
Energy: 1.2105282470948078
Energy: 1.2077371795524088
Energy: 1.5279000988925402
Energy: 1.389820570437049
Energy: 1.600153798772681
Energy: 1.532104682890682
Energy: 1.5288408547078887
Energy: 1.2250310490516736
Energy: 1.5290674663218755
Energy: 1.4305686326818499
Energy: 1.5957228720585561
Energy: 1.527979686243733
Energy: 1.5332077264764492
Energy: 1.2352069488609718
Energy: 1.529189506812085
Energy: 1.2329774559703524
Energy: 1.5898644279491476
Energy: 1.2133269343769666
Energy: 1.528550035673816
Energy: 1.386207224660832
Energy: 1.5108561156641287
Energy: 1.213655863033123
Energy: 1.589371279443301
Energy: 1.2109420527500696
Energy: 1.2007707312751061
Energy: 1.5727604434219622
Energy: 1.210485135547452
Energy: 1.2116580902844176
Energy: 1.394136177005566
Energy: 1.212494449606633
Energy: 1.544165689030915
Energy: 1.1887643747788572
Energy: 1.2119501203286116
Energy: 1.3855971132631566
Energy: 1.3930951056967014
Energy: 1.213562046523849
Energy: 1.210231489586981
Energy: 1.1926713944706357
Energy: 1.2103902303988614
Energy: 1.2117290561011802
Energy: 1.3949415776153555
Energy: 1.2079742773604223
Energy: 1.1913222742561802
Energy: 1.5440785952658478
Energy: 1.1914159334146728
Energy: 1.2079431681691677
Energy: 1.3934750439296713
Energy: 1.208902852518084
Energy: 1.1883213650714748
Energy: 1.4990139295147613
Energy: 1.2096068950153172
Energy: 1.208063213101515
Energy: 1.2097104256713374
Energy: 1.2089673090259194
Energy: 1.1885955413020084
Energy: 1.499105525393693
Energy: 1.2098778109068344
Energy: 1.209237570257852
Energy: 1.229735073925477
Energy: 1.2316706208155352
Energy: 1.190831165383915
Energy: 1.5294737733204713
Energy: 1.191334482134658
Energy: 1.2316501706996714
Energy: 1.208747123513678
Energy: 1.2084735990293096
Energy: 1.2102655471170052
Energy: 1.5292224510231127
Energy: 1.2114957923502818
Energy: 1.208369194284928
Energy: 1.1937304594920797
Energy: 1.194159615694821
Energy: 1.3839585972105142
Energy: 1.3629003180924693
Energy: 1.198840311678428
Energy: 1.1937107952170452
Energy: 1.3966200153994024
Energy: 1.2085416221785161
Energy: 1.2104782137656651
Energy: 1.531613126519059
Energy: 1.2114405276635438
Energy: 1.2092230568054754
Energy: 1.394705997983392
Energy: 1.211703208310944
Energy: 1.1910803174897489
Energy: 1.5425079067428038
Energy: 1.1910444281989327
Energy: 1.2100655833975276
Energy: 1.393378631376784
Energy: 1.2125992690453042
Energy: 1.2137513543346028
Energy: 1.229612144982059
Energy: 1.2106266963709098
Energy: 1.2099330917809676
Energy: 1.5910326583670489
Energy: 1.2108147378923009
Energy: 1.2143827680946855
Energy: 1.2293341978846812
Energy: 1.2104676428439662
Energy: 1.2109574915527486
Energy: 1.5599778556412114
Energy: 1.2105758529171915
Energy: 1.5315208133517868
Energy: 1.581768772121177
Energy: 1.2102199174175565
Energy: 1.2117083042350294
Energy: 1.5975527885362952
Energy: 1.2102349142601254
Energy: 1.5286956254911312
Energy: 1.4249605463437331
Energy: 1.5278117425552264
Energy: 1.2117887198907642
Energy: 1.597586707150347
Energy: 1.5543070866796032
Energy: 1.5102932782851355
Energy: 1.197211346525494
Energy: 1.5278329632719811
Energy: 1.5090384525236633
Energy: 2.0630289592340767
Energy: 1.5336903252386644
Energy: 1.5461869498408218
Energy: 1.2338425750653885
Energy: 1.5288223187079435
Energy: 1.5000660322935107
Energy: 1.5964775856423397
Energy: 1.528982854797009
Energy: 1.3911502038453223
Energy: 1.2009532226857291
Energy: 1.533481425238199
Energy: 1.529140778930516
Energy: 1.5950954124774186
Energy: 1.2108044039156631
Energy: 1.210740291375518
Energy: 1.2118037834686157
Energy: 1.2104243752846053
Energy: 1.5447393224364883
Energy: 1.5952535002550414
Energy: 1.2104670895647647
Energy: 1.4935654832458192
Energy: 1.2104196365769997
Energy: 1.2104894671124298
Energy: 1.506926445317468
Energy: 2.0363884262947365
Energy: 1.5094357526915982
Energy: 1.212754065227086
Energy: 1.2126675178482798
Energy: 1.2128627513989576
Energy: 1.4995250220903293
Energy: 1.591436520508079
Energy: 1.1913258057756868
Energy: 1.2103955799161743
Energy: 1.2101180659448423
Energy: 1.1990574414745856
Energy: 1.1915342065190098
Energy: 1.596539147352815
Energy: 1.2112246185819797
Energy: 1.2080852542095957
Energy: 1.2079591059436872
Energy: 1.2081885829050767
Energy: 1.1918565397135477
Energy: 1.5947664608501346
Energy: 1.2128516809363057
Energy: 1.1986044068645565
Energy: 1.1930588440189256
Energy: 1.1988142701613471
Energy: 1.4992722994517884

minimum gb energy = 1.1883199766424566 eV
minimum distance =  2.20159657594184 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.381774557045978
Energy: 1.2850909021965957
Energy: 1.281473891302905
Energy: 1.2844259991811466
Energy: 1.2822863699976461
Energy: 1.6746394846490884
Energy: 1.7893827959252009
Energy: 1.637371306071252
Energy: 1.2939498861402081
Energy: 1.2943416268213492
Energy: 1.2942391402070914
Energy: 1.4853543878656792
Energy: 1.7923006214264787
Energy: 1.2765438027804925
Energy: 1.2836372803821825
Energy: 1.3184167455114
Energy: 1.2836683541456075
Energy: 1.276487199527963
Energy: 1.7796516037249133
Energy: 1.2839914442407394
Energy: 1.2843385201698643
Energy: 1.283818197985106
Energy: 1.2833753610216654
Energy: 1.6523914884289468
Energy: 1.7796434904236937
Energy: 1.2838051976624283
Energy: 1.2850213582103736
Energy: 1.2845400875129278
Energy: 1.283719286425073
Energy: 1.6498679853768585
Energy: 1.7907823448737448
Energy: 1.2768024309994315
Energy: 1.2845709380649761
Energy: 1.293857020171587
Energy: 1.2941928750848513
Energy: 1.7076852596956615
Energy: 1.5264615933687964
Energy: 1.6424090898293073
Energy: 1.285268712948862
Energy: 1.284165130012118
Energy: 1.2843991731739843
Energy: 1.2845816486733734
Energy: 1.7799538169704079
Energy: 1.2843508275248945
Energy: 1.5164285695035533
Energy: 1.294169192102277
Energy: 1.2849137802486383
Energy: 1.6580351344062194
Energy: 1.7885088899544745
Energy: 1.4853431425642618
Energy: 1.637829183102762
Energy: 1.2723567616119933
Energy: 1.6393685699837879
Energy: 1.6414400401633609
Energy: 1.7929544926561882
Energy: 1.4843884507889087
Energy: 1.4850816495773387
Energy: 1.4970940382547488
Energy: 1.6471137779188039
Energy: 1.2841794934565922
Energy: 1.8071415375813535
Energy: 1.6381538641451145
Energy: 1.6591730401003197
Energy: 1.2896173096229375
Energy: 1.485609259965726
Energy: 1.285596251388378
Energy: 1.7870793248695214
Energy: 1.638649499605477
Energy: 1.284625972399441
Energy: 1.272478327787965
Energy: 1.484467742135469
Energy: 1.284627492881301
Energy: 1.5342179493345462
Energy: 1.2856018033905252
Energy: 1.6468008614034757
Energy: 1.273474588915487
Energy: 1.2853658462815511
Energy: 1.3019964718181278
Energy: 1.51892859323472
Energy: 1.2854814263314351
Energy: 1.2765603183706895
Energy: 1.658148775656526
Energy: 1.2841188089628564
Energy: 1.2834508341509387
Energy: 1.5186799899590029
Energy: 1.2944146588734113
Energy: 1.6368686438596853
Energy: 1.2840676344114346
Energy: 1.2844280854305568
Energy: 1.293993689441754
Energy: 1.2801831376795076
Energy: 1.2835990816767229
Energy: 1.6367058903671392
Energy: 1.2748852057937876
Energy: 1.2843772681151422
Energy: 1.281934728194428
Energy: 1.2937972649352791
Energy: 1.2934894714514407
Energy: 1.642862391058639
Energy: 1.5557687986033077
Energy: 1.293300801935393
Energy: 1.293530108172767
Energy: 1.3178544970945758
Energy: 1.3180835500009174
Energy: 1.2764551835485953
Energy: 1.6607175981197326
Energy: 1.2942145839981056
Energy: 1.3188676882581207
Energy: 1.2936850538959674
Energy: 1.2843917974777828
Energy: 1.2835252769120393
Energy: 1.5504089102564842
Energy: 1.2843483126876545
Energy: 1.28426810664638
Energy: 1.296320596882638
Energy: 1.2833884732733194
Energy: 1.2839841608038578
Energy: 1.5287177156440324
Energy: 1.2838743955373215
Energy: 1.2834833594198174
Energy: 1.5307589671142847
Energy: 1.276984469837367
Energy: 1.2765448051926436
Energy: 1.2854112707802172
Energy: 1.2938844332829447
Energy: 1.2836644075353385
Energy: 1.5309620731423876
Energy: 1.4719440780046826
Energy: 1.6426926692583088
Energy: 1.7434922976201404
Energy: 1.6400442617380755
Energy: 1.2845523137867512
Energy: 1.532385145761549
Energy: 1.2841181353959399
Energy: 1.2843253561114245
Energy: 1.281583179327169
Energy: 1.5161815900711946
Energy: 1.3021979987761332
Energy: 1.7451235850763966
Energy: 1.637598866269013
Energy: 1.6409584226733447
Energy: 1.3035576096654353
Energy: 1.4850118974053708
Energy: 1.2852570537244705
Energy: 1.7882841025418241
Energy: 1.6415704419679302
Energy: 1.2843047579981615
Energy: 1.5164871222137348
Energy: 1.6469455938917608
Energy: 1.4853004318782772
Energy: 1.7910593849965342
Energy: 1.6582993331809486
Energy: 1.637265106666448
Energy: 1.2846153581068522
Energy: 1.6380843494277102
Energy: 1.284038915289686
Energy: 1.7487551879624543
Energy: 1.6431544722249753
Energy: 1.6370516129998571
Energy: 1.301664851422437
Energy: 1.6436677793810341
Energy: 1.2849651953375087
Energy: 1.766613955925478
Energy: 1.647624926508485
Energy: 1.2841795977757786
Energy: 1.3023349667887325
Energy: 1.2848190374457569
Energy: 1.6375469996331669
Energy: 1.7930524253953046
Energy: 1.636898409643973
Energy: 1.2852028095224022
Energy: 1.283415660827883
Energy: 1.2843363806621695
Energy: 1.2765177906918699
Energy: 1.7928911262217029
Energy: 1.2774499324524777
Energy: 1.2948979541847263
Energy: 1.2939279362762524
Energy: 1.2943440734430873
Energy: 1.671615541486151
Energy: 1.7409035348649375
Energy: 1.2841591276422233
Energy: 1.283403632349783
Energy: 1.2811754471404202
Energy: 1.28362398535577
Energy: 1.6461929558442308

minimum gb energy = 1.2723567616119933 eV
minimum distance =  2.23738326445526 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.1241714346932246
Energy: 1.388812857035468
Energy: 1.394257627676642
Energy: 1.3898040912463052
Energy: 1.3949932136185017
Energy: 1.4128036366870036
Energy: 1.3932275272974808
Energy: 1.8016137904181764
Energy: 1.389154944934345
Energy: 1.390815848354437
Energy: 1.3890042490738097
Energy: 1.6315851019321512
Energy: 1.3941293737693035
Energy: 1.389463839857692
Energy: 1.4228086714750698
Energy: 1.4218591797542068
Energy: 1.4239684678825386
Energy: 1.8009670777499809
Energy: 1.6940270741089154
Energy: 1.3897058183251227
Energy: 1.388196771212303
Energy: 1.3890748060101001
Energy: 1.387991461175019
Energy: 1.630755085966179
Energy: 1.6940762053171812
Energy: 1.389020165048941
Energy: 1.387779759045305
Energy: 1.3932750389920934
Energy: 1.387806122577978
Energy: 1.6293592809350566
Energy: 1.3924742218738932
Energy: 1.3892972791642806
Energy: 1.3911718028151805
Energy: 1.3897950176560603
Energy: 1.3898691532717746
Energy: 1.6576292421209777
Energy: 1.3927858059617657
Energy: 1.6309662694701181
Energy: 1.3886293901205171
Energy: 1.3886190548011996
Energy: 1.3898374009018695
Energy: 1.6338656563316312
Energy: 1.6944389697657787
Energy: 1.6342543573773014
Energy: 1.6332226974424437
Energy: 1.3924250061617656
Energy: 1.6333105758143127
Energy: 1.8036885142195194
Energy: 1.39454885066678
Energy: 1.6332565198720372
Energy: 1.7980078810805202
Energy: 1.3799527115027035
Energy: 1.6328691922258443
Energy: 1.6329545699262318
Energy: 1.392839611724173
Energy: 1.3883780100036476
Energy: 1.6311103287656012
Energy: 1.3804274580911102
Energy: 1.7999864380711947
Energy: 1.388595704498087
Energy: 1.3942833016092073
Energy: 1.3900663795588128
Energy: 1.8005040119749132
Energy: 1.3904147750256508
Energy: 1.38896878990681
Energy: 1.3886963137263046
Energy: 1.700390681032423
Energy: 1.3879016123247387
Energy: 1.800190875734766
Energy: 1.794681823792351
Energy: 1.3885889418512718
Energy: 1.3879666795588497
Energy: 1.3887142849214797
Energy: 1.3881574570385533
Energy: 1.7953085049301505
Energy: 1.7946471569018394
Energy: 1.3881541263114157
Energy: 1.3885332588887465
Energy: 1.386782477516588
Energy: 1.3887140305388137
Energy: 1.8011532908743002
Energy: 1.393653891328107
Energy: 1.388662153647729
Energy: 1.3890241088387658
Energy: 1.3909540134396803
Energy: 1.3894614028143195
Energy: 1.801396993416001
Energy: 1.3952375238152646
Energy: 1.3885916729710592
Energy: 1.389394354420067
Energy: 1.392215722144598
Energy: 1.389129938443705
Energy: 1.6306550773365889
Energy: 1.6119734604920837
Energy: 1.3886266516543022
Energy: 1.3892998903524019
Energy: 1.3865321630309688
Energy: 1.3887749722966365
Energy: 1.8021809361176262
Energy: 1.392906658984
Energy: 1.3887596102573163
Energy: 1.3888094423613646
Energy: 1.3924392805366497
Energy: 1.3888850550951672
Energy: 1.6562017129384612
Energy: 1.3913546728380701
Energy: 1.388584151661699
Energy: 1.388071311220566
Energy: 1.3932291322638826
Energy: 1.3888167312957544
Energy: 1.7998545713985064
Energy: 1.6330364538562525
Energy: 1.6315770681593893
Energy: 1.3896022504868646
Energy: 1.3923535647978365
Energy: 1.6312635282398353
Energy: 1.7999865960671388
Energy: 1.632453480940525
Energy: 1.802042458737351
Energy: 1.6358720363507944
Energy: 2.0085344966280303
Energy: 1.63450684932351
Energy: 1.631446341930091
Energy: 1.3932504902410296
Energy: 1.6321025403766538
Energy: 1.801617954937302
Energy: 1.7015445464841905
Energy: 1.8004223951682314
Energy: 1.3881859115454818
Energy: 1.3902585076004308
Energy: 1.389682010196308
Energy: 1.6313162970190307
Energy: 1.3950881200619487
Energy: 1.800765923824351
Energy: 1.649943548227501
Energy: 1.3901612777349561
Energy: 1.615309481832893
Energy: 1.6562686883610844
Energy: 1.3797813160158736
Energy: 1.3892955425653146
Energy: 1.3882685830917754
Energy: 1.3931708305047608
Energy: 1.3883827610648913
Energy: 1.8045125264348545

minimum gb energy = 1.3797813160158736 eV
minimum distance =  2.19693753973303 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.686186113553553
Energy: 1.529149446872622
Energy: 1.513223262807894
Energy: 1.5288061487791764
Energy: 1.52912445704399
Energy: 1.9942282067518833
Energy: 1.5287655285099653
Energy: 1.6475120470509594
Energy: 1.5138026868755894
Energy: 1.513314494737975
Energy: 1.5135671212806527
Energy: 1.5135198221949018
Energy: 1.5283376383586396
Energy: 1.6916451863051882
Energy: 1.5146520629955578
Energy: 1.5135576129114237
Energy: 1.5526444849178922
Energy: 1.5280990868500128
Energy: 1.5101029050091581
Energy: 1.5139234041106922
Energy: 1.51330957406291
Energy: 1.515482081475807
Energy: 1.513041599084674
Energy: 1.5140788454390268
Energy: 1.5272891222078522
Energy: 1.6485051395042813
Energy: 1.5134501519462384
Energy: 1.5286744631020728
Energy: 1.5131495175800962
Energy: 1.6476240659199017
Energy: 1.5293227530519402
Energy: 1.6471320954889384
Energy: 1.8102449325362895
Energy: 1.5071762647595237
Energy: 1.8099428236037207
Energy: 1.5285262089093643
Energy: 1.5284906979048243
Energy: 1.8131697626621328
Energy: 1.513968803877423
Energy: 1.5285236883879456
Energy: 1.6471470284323044
Energy: 1.513307345591009
Energy: 1.5102116798403182
Energy: 1.8092516061849186
Energy: 1.5282317422816687
Energy: 1.528496291180297
Energy: 1.8088459053312562
Energy: 1.8092594669315625
Energy: 1.5286959272414826
Energy: 1.513604420308015
Energy: 1.9937732552443972
Energy: 1.506315544121689
Energy: 1.7804174248505134
Energy: 1.5286690622408323
Energy: 1.5133066196881018
Energy: 1.512519006848868
Energy: 1.646709348582719
Energy: 1.5071625862696245
Energy: 1.5135585712539321
Energy: 1.5130118394066798
Energy: 1.5515524381925334
Energy: 1.5515521974860533
Energy: 1.6987328007594074
Energy: 1.5284532805772186
Energy: 1.5510885363513462
Energy: 1.5513193730883459
Energy: 1.5131400652467817
Energy: 1.5127961264349747
Energy: 1.6481006451446247
Energy: 1.5268304112400453
Energy: 1.5126282411235732
Energy: 1.5129021751529934
Energy: 1.5285509361768799
Energy: 1.5138644517091846
Energy: 1.5140686069510736
Energy: 1.5108194275540423
Energy: 1.5140574926146975
Energy: 1.5287746675224962
Energy: 1.5064752824226944
Energy: 1.80895016196673
Energy: 1.646811039048599
Energy: 1.5282554026248925
Energy: 1.809861582795909
Energy: 1.507407962796321
Energy: 1.5119757158631884
Energy: 1.5127897577923761
Energy: 1.5137671494094056
Energy: 1.52881334804579
Energy: 1.647958144527951
Energy: 1.5133196147351886
Energy: 1.529244929687905
Energy: 1.5146706529395642
Energy: 1.809638717866694
Energy: 1.5131209677695021
Energy: 1.8100227322236473
Energy: 1.5281127936701153
Energy: 1.506685321414437
Energy: 1.51409500300601
Energy: 1.5137486283528443
Energy: 1.5289187645336897
Energy: 1.5136515739746939
Energy: 1.5065294198740267

minimum gb energy = 1.506315544121689 eV
minimum distance =  2.19883127913581 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.166644708690336
Energy: 1.6693003458427513
Energy: 1.6949280370615347
Energy: 1.6404447790217778
Energy: 1.6429256488828814
Energy: 1.5845676688857313
Energy: 1.6077771220743928
Energy: 1.603893710971459
Energy: 1.6045572957054244
Energy: 1.6037938564430894
Energy: 1.6048846886482298
Energy: 1.8389953721261854
Energy: 1.6086588236796644
Energy: 1.7507611390601576
Energy: 1.6091329014470175
Energy: 1.607971041816435
Energy: 1.6094188012888773
Energy: 1.5841140217820828
Energy: 1.594964640624903
Energy: 1.820305060767553
Energy: 1.6087019074303992
Energy: 1.6081862145735843
Energy: 1.6100216730975538
Energy: 1.8974623395216907
Energy: 1.6122570751277072
Energy: 1.7810975148602535
Energy: 1.7712137406937942
Energy: 1.66647572132181
Energy: 1.771529949389462
Energy: 1.7901559679633472
Energy: 1.608575918605959
Energy: 1.6101133303423336
Energy: 1.9350268859977493
Energy: 1.7445085258616884
Energy: 1.839434025932058
Energy: 1.6092117317936494
Energy: 1.6089188724996897
Energy: 1.6075483111687505
Energy: 1.6195024514371827
Energy: 1.6668087413653347
Energy: 1.6089356686336789
Energy: 1.606991203165349
Energy: 1.6037097950259092
Energy: 1.6060757279052038
Energy: 1.6216744976697615
Energy: 1.6139113773092768
Energy: 1.6053903909220897
Energy: 1.6052244132883458
Energy: 1.6097203722189701
Energy: 1.6039706943411767
Energy: 1.5713801861787642
Energy: 1.617103125462447
Energy: 1.6055958037173177
Energy: 1.6041019064666124
Energy: 1.6821766566750453
Energy: 1.6041637332609393
Energy: 1.604662227244213
Energy: 1.703217178488367
Energy: 1.6044352538668614
Energy: 1.6039019997668347
Energy: 1.682942347837105
Energy: 1.6051477092610227
Energy: 1.5901602978104479
Energy: 1.6740003117240538
Energy: 1.789692589861732
Energy: 1.6040203830136182
Energy: 1.682505117154312
Energy: 1.6048512748490762
Energy: 1.5904567659491837
Energy: 1.593883498643244
Energy: 1.849069314342264
Energy: 1.6041914184776012
Energy: 1.682935360337315
Energy: 1.8825742644138705
Energy: 1.5900249254659173
Energy: 1.5907290979399875
Energy: 1.9709757445058986
Energy: 1.614986304239013
Energy: 1.5889565376414359
Energy: 1.5915387430589685
Energy: 1.6663320537785669
Energy: 1.6678126728107432
Energy: 1.5977389396929076
Energy: 1.5754621781052351
Energy: 1.660126943964854
Energy: 1.5928230149376459
Energy: 1.590401352712238
Energy: 1.59259266099899
Energy: 1.59079629283366
Energy: 1.7177732647441897
Energy: 1.6819192066746484
Energy: 1.6093241396668507
Energy: 1.607411994774406
Energy: 1.5835712074344332
Energy: 1.6074996761023475
Energy: 1.6664735521106844
Energy: 1.614624111879086
Energy: 1.5844890219960206
Energy: 1.5833391026475576
Energy: 1.5878367066482886
Energy: 1.584262120571252
Energy: 1.6145188392572303
Energy: 1.6147824389601348
Energy: 1.7235625869384643
Energy: 1.5846098092957341
Energy: 1.6263409677245437
Energy: 1.5852539056507131
Energy: 1.614437741137008
Energy: 1.6834030789066186
Energy: 1.5682162212441568
Energy: 1.968625520572245
Energy: 1.572366657802169
Energy: 1.9693554237089568
Energy: 1.5774930860789353
Energy: 1.893078747820673
Energy: 1.5699691415537853
Energy: 1.584880276609677
Energy: 1.6261931824153397
Energy: 1.7378504353951771
Energy: 1.569841236989554
Energy: 1.8905304626342359
Energy: 1.567965266385908
Energy: 1.7986664261327414
Energy: 1.6269317729014017
Energy: 1.5674480949348346
Energy: 1.5671840285465721
Energy: 1.68666612593586
Energy: 1.5674244328409757
Energy: 1.5673897393866425
Energy: 1.5749918263437082
Energy: 1.5688386970315522
Energy: 1.5676401106849127
Energy: 1.6766723270296764
Energy: 1.5672709501436188
Energy: 1.5678833997116648
Energy: 1.5691366110330567
Energy: 1.5688065250898307
Energy: 1.5672379306803494
Energy: 1.6814095120661834
Energy: 1.5738985386694473
Energy: 1.8716684082123847
Energy: 1.6266242091880352
Energy: 1.5745100060460124
Energy: 1.5765946840052807
Energy: 1.6545414912209044
Energy: 1.5744492431597277
Energy: 1.6131323196072718
Energy: 1.5694102844587323
Energy: 1.7319719767558261
Energy: 1.5741991792429249
Energy: 1.6437280547886022
Energy: 1.7326556581256278
Energy: 1.7823997117968837
Energy: 1.575912924752272
Energy: 1.7818300632539683
Energy: 1.5767105551993146
Energy: 1.5970072062699183
Energy: 1.975927247532559
Energy: 1.6281294237338102
Energy: 1.6277917265225887
Energy: 1.9277907668389285
Energy: 1.8907179663147695
Energy: 1.5987401760612723
Energy: 1.871459138174535
Energy: 1.6126130726870918
Energy: 1.6151530475981664
Energy: 1.6130777944320873
Energy: 1.695931014813737
Energy: 1.650121569403091
Energy: 1.6139145620569983
Energy: 1.6323163002604908
Energy: 1.6320295722799878
Energy: 1.6322995773519244
Energy: 1.6663655531771602
Energy: 1.9101805824859226
Energy: 1.6165102029422023
Energy: 1.6159301312718286
Energy: 1.6179735720239266
Energy: 1.616214057165555
Energy: 1.761066663122859
Energy: 1.9530555910514753
Energy: 1.6168078257076186
Energy: 1.6167225261541396
Energy: 1.7042819582913813
Energy: 1.616910455448541
Energy: 1.756888695524832
Energy: 1.6511100642913266
Energy: 1.7355555171492647
Energy: 1.617125629356618
Energy: 1.6163033515045848
Energy: 1.6174086934213705
Energy: 1.579755059880691
Energy: 1.6436328202684294
Energy: 1.5792677460683235
Energy: 1.6164908980041677
Energy: 1.699248909274219
Energy: 1.7337903051260135
Energy: 1.5792534685142905
Energy: 2.2492680319348466
Energy: 1.9758769935924685
Energy: 1.7369679539054974
Energy: 1.7019912997871343
Energy: 1.9463933792757049
Energy: 1.9744044993592391
Energy: 1.6438667545569323
Energy: 1.5794045245635389
Energy: 1.5753365522103064
Energy: 1.579007188346217
Energy: 1.5803146224347786
Energy: 1.5840712290089087
Energy: 1.5819172122102927
Energy: 1.5785888986065626
Energy: 1.5788461750916711
Energy: 1.5787143140828752
Energy: 1.579886668794252
Energy: 1.5787089205168015
Energy: 1.6025036525252456
Energy: 1.5983832706127243
Energy: 1.8425192916429025
Energy: 1.656864762708481
Energy: 1.5982204639063187
Energy: 1.5988585025197746
Energy: 1.5778903734019116
Energy: 1.5780971848452654
Energy: 1.826099677515635
Energy: 1.705004959259393
Energy: 1.5792436518176316
Energy: 1.5781993481068979
Energy: 1.608571588937894
Energy: 1.5875765956694883
Energy: 1.7482736080861496
Energy: 1.7887638177603078
Energy: 1.57919536431052
Energy: 1.6113574118740093
Energy: 1.6215850695067966
Energy: 1.9746509443763989
Energy: 1.909786420164843
Energy: 1.6589397773129178
Energy: 1.9625539284858893
Energy: 1.5794225702775078
Energy: 1.7952883984566435
Energy: 1.5799423797871406
Energy: 1.6044280533551387
Energy: 1.6585899414132508
Energy: 1.6051401503115317
Energy: 1.578503258639897
Energy: 1.6083999600975856
Energy: 1.7066005877467525
Energy: 1.6054906608469321
Energy: 1.6044179212118705
Energy: 1.6046372706702423
Energy: 1.5851898580767263
Energy: 1.659720292207235
Energy: 1.6045655146704592
Energy: 1.6039222360983956
Energy: 1.6059203406884335
Energy: 1.6035015404722872
Energy: 1.5840545295819253

minimum gb energy = 1.5671840285465721 eV
minimum distance =  2.18292917824899 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.380704673975393
Energy: 1.6800340483184912
Energy: 1.6776054330183447
Energy: 1.7316029083677333
Energy: 1.6774467310277452
Energy: 1.5817609243297812
Energy: 1.6121522582442998
Energy: 1.6130430342989617
Energy: 1.6109593484578406
Energy: 1.613097318801226
Energy: 1.6107178820062384
Energy: 1.8228232921404501
Energy: 1.6240207150904964
Energy: 1.6539017222569379
Energy: 1.6110607054811588
Energy: 1.6130459087645426
Energy: 1.6108743220640342
Energy: 1.6305812494143113
Energy: 1.6232812169050201
Energy: 1.819858461001812
Energy: 1.613613495764831
Energy: 1.6147082682668508
Energy: 1.6143258321136045
Energy: 2.027456929594064
Energy: 1.624459305202044
Energy: 1.8269740107163532
Energy: 1.8207139926435378
Energy: 1.5707704585293285
Energy: 1.8239818208665033
Energy: 1.8251080167440519
Energy: 1.6181025951312487
Energy: 1.615105839624838
Energy: 2.0060064544436123
Energy: 1.5700940600670212
Energy: 1.8163244282464688
Energy: 1.6156747377570397
Energy: 1.612660872438344
Energy: 1.6125984268045896
Energy: 1.8087607122160025
Energy: 1.6279520793356326
Energy: 1.6129920269570424
Energy: 1.6120968888285465
Energy: 1.6168999676095837
Energy: 1.6110122849817596
Energy: 1.8491686259722597
Energy: 1.6172441202463597
Energy: 1.6141227904535944
Energy: 1.6106784723755796
Energy: 1.6207099293776224
Energy: 1.6143608361275057
Energy: 1.8155332486619018
Energy: 1.6115039697722995
Energy: 1.6142651462509907
Energy: 1.614549567851357
Energy: 1.62178553091972
Energy: 1.6132340026174397
Energy: 1.8487767011277572
Energy: 1.6117146120009704
Energy: 1.8471848569256542
Energy: 1.6129883632924784
Energy: 1.6497811918061283
Energy: 1.8503327321277796
Energy: 1.6151209943926308
Energy: 1.625773558803478
Energy: 1.7362682394310398
Energy: 1.847829513789494
Energy: 1.6257835296466945
Energy: 1.6129821691269766
Energy: 1.8487546239707822
Energy: 1.6139494578441225
Energy: 1.8496110595065531
Energy: 1.614064553536332
Energy: 1.679613860225688
Energy: 1.8482077153454068
Energy: 1.8487104074979803
Energy: 1.6142847980045678
Energy: 1.847141390083398
Energy: 1.617925137054803
Energy: 2.289436176801962
Energy: 1.6145082233023802
Energy: 1.6229797115835354
Energy: 1.6249710975910854
Energy: 1.6234062805673313
Energy: 1.5724845930588198
Energy: 1.650710975044934
Energy: 1.611945296720819
Energy: 1.6112004560068822
Energy: 1.6118548604537493
Energy: 1.610658422748715
Energy: 1.8486550088288296
Energy: 1.6253380359807534
Energy: 1.6557578345055501
Energy: 1.611910270582584
Energy: 1.6156877038760171
Energy: 1.611668129649874
Energy: 1.6137576541696654
Energy: 1.9781812994203916
Energy: 1.8197581188790921
Energy: 1.612051035096174
Energy: 1.6187976781549884
Energy: 1.613971526620535
Energy: 1.8310063379954389
Energy: 1.6228343874248374
Energy: 2.0273948786768607
Energy: 1.8204562097980326
Energy: 1.6184408273610726
Energy: 1.8230688690854906
Energy: 1.6133983508259306
Energy: 1.6141491716102288
Energy: 1.6157059114057488
Energy: 2.00609280257344
Energy: 1.7992151536092273
Energy: 1.8177140394070925
Energy: 1.6152952683629567
Energy: 1.6111751604919506
Energy: 1.612548017898976
Energy: 1.8079598932400338
Energy: 1.6166365682419188
Energy: 1.6120930099565303
Energy: 1.6123267518174593
Energy: 1.611526240240135
Energy: 1.611995808646138
Energy: 1.6267376801110158
Energy: 1.6172694011405044
Energy: 1.6278208514288894
Energy: 1.6110489064322548
Energy: 1.6171112698334933
Energy: 1.6132465708544945
Energy: 2.0212857323908495
Energy: 1.6146233121514046
Energy: 1.6134267035887
Energy: 1.613481435647021
Energy: 1.6185761354192894
Energy: 1.6132782552656157
Energy: 1.7383166813846198
Energy: 1.6113285511625708
Energy: 1.847314283473171
Energy: 1.6130712171362702
Energy: 1.6500229063145115
Energy: 1.850658029422135
Energy: 1.6126858551365235
Energy: 1.6265931076866513
Energy: 1.736558656664331
Energy: 1.850222883001171
Energy: 1.6283099249945392
Energy: 1.612911265560818
Energy: 1.6125192768820773
Energy: 1.613353588492086
Energy: 1.8466136792934504
Energy: 1.6134948635264126
Energy: 1.6363309747302248
Energy: 1.8504174034393128
Energy: 1.8499749572326927
Energy: 1.6128176736329904
Energy: 1.8480853054280353
Energy: 1.616529573151519
Energy: 1.5667459006051658
Energy: 1.6120399091183135
Energy: 1.623352280257385
Energy: 1.6251323659517085
Energy: 1.6142117570917223
Energy: 1.5693261789741344

minimum gb energy = 1.5667459006051658 eV
minimum distance =  2.20937508880163 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.700419818047632
Energy: 1.5980046325041588
Energy: 1.6343659400195785
Energy: 1.6005632257995213
Energy: 1.5985586510431748
Energy: 2.0619210486763717
Energy: 1.6017932291419585
Energy: 1.6472834393444238
Energy: 1.6492939210210769
Energy: 1.6483541236211057
Energy: 1.6488081450201713
Energy: 1.8385261866393736
Energy: 1.6766813655301656
Energy: 1.7125560682852023
Energy: 1.642474421826858
Energy: 1.6422859437408446
Energy: 1.6428038427785763
Energy: 1.5964034542040726
Energy: 1.6874544395762003
Energy: 2.0017944704356427
Energy: 1.6455329033536439
Energy: 1.6446181890571794
Energy: 1.6441656641736144
Energy: 1.7868333337823668
Energy: 1.6746027961978016
Energy: 1.599353548513697
Energy: 1.8388107079733809
Energy: 1.6922179815536322
Energy: 1.8375022450508767
Energy: 1.5954301051732687
Energy: 1.5973737297327464
Energy: 1.5997126895459388
Energy: 2.061716498818086
Energy: 1.5929739278350625
Energy: 1.5969288435047904
Energy: 1.6000931901917432
Energy: 1.599044290429871
Energy: 1.597159336825008
Energy: 1.8117255785287416
Energy: 1.644196159765576
Energy: 1.596647838054612
Energy: 1.598038794186794
Energy: 1.5964596729381062
Energy: 1.5975546810933539
Energy: 1.7208243684817643
Energy: 1.644181869924393
Energy: 1.5966188951465043
Energy: 1.5983318218932423
Energy: 1.5976964025063056
Energy: 1.5996218602397065
Energy: 1.597488646126416
Energy: 1.593790156997687
Energy: 1.5979097005730445
Energy: 1.599006547425052
Energy: 1.5937796747628568
Energy: 1.6002151884671425
Energy: 1.8392846669847274
Energy: 1.6462248718200887
Energy: 1.8376534143834984
Energy: 1.5964966142908978
Energy: 2.172403687473859
Energy: 2.0030468502792904
Energy: 1.6466998916231985
Energy: 1.6445701694062067
Energy: 1.6447634387572863
Energy: 1.7845220871849636
Energy: 1.6757158024164076
Energy: 1.597484427528626
Energy: 1.642279977259629
Energy: 1.6439303234325597
Energy: 1.6423601090557327
Energy: 1.6438386187854228
Energy: 1.6031497781332333
Energy: 1.6481840850212253
Energy: 1.6466957000102496
Energy: 1.6486326885339593
Energy: 1.646621272104804
Energy: 1.6451302116103026
Energy: 1.928587346398777
Energy: 1.644429339651291
Energy: 1.6460730365707956
Energy: 1.6452658837300764
Energy: 1.6466461642903714
Energy: 1.5919268866616563
Energy: 1.6429788684092055
Energy: 1.8395627255977367
Energy: 1.6429346909533735
Energy: 1.6430393468474758
Energy: 1.8395639335676124
Energy: 1.6542754704632636
Energy: 1.676446691477684
Energy: 1.6437271691551811
Energy: 1.8401703544865582
Energy: 1.6474406201306488
Energy: 1.8391329451512806
Energy: 1.6449961255121288
Energy: 1.935784407883181
Energy: 1.83960533329952
Energy: 1.6443777458297502
Energy: 1.6760809726248496
Energy: 1.8069989221445766
Energy: 1.6480586766026901
Energy: 1.932835239401865
Energy: 1.8396410722454235
Energy: 1.8386109221493867
Energy: 1.6738290429896185
Energy: 1.8392880696587153
Energy: 1.6485926400378077
Energy: 1.6342948484221902
Energy: 1.5985894549377042
Energy: 1.6248608219605107
Energy: 2.0617977130581546
Energy: 1.5981002657775492
Energy: 1.5993879633336534
Energy: 1.646588259463127
Energy: 1.6491212606762184
Energy: 1.6469647372995226
Energy: 1.6026711258665252
Energy: 1.6483088688850842
Energy: 1.6491573608104066
Energy: 1.6426481372691968
Energy: 1.642487155685108
Energy: 1.5987125454451019
Energy: 1.6759163243911968
Energy: 1.6430897702415936
Energy: 1.6421266342760994
Energy: 1.644299209674344
Energy: 1.6446683128771773
Energy: 1.7868585757771618
Energy: 1.6477863340816636
Energy: 2.0005880728831964
Energy: 1.6455058060156282
Energy: 1.6904251463782562
Energy: 1.8385858086542208
Energy: 1.5955208534401166
Energy: 1.6428136672274007
Energy: 1.7867951544878422
Energy: 1.8178128038632675
Energy: 2.1603261314116446
Energy: 1.5971147713745664
Energy: 1.60024832990482
Energy: 1.5982928991076035
Energy: 1.5993795149311694
Energy: 2.062232466531501
Energy: 1.6443664176878576
Energy: 1.7191360728353406
Energy: 1.5975283583674758
Energy: 1.6002398217322764
Energy: 1.596868733320666
Energy: 1.6935918034187272
Energy: 1.6439046823415226
Energy: 1.8498088812659266
Energy: 1.597618148372181
Energy: 1.5981207238278303
Energy: 1.5971123610646116
Energy: 1.7324812645943914
Energy: 1.9265354217440078
Energy: 1.5978203699793752
Energy: 1.5996758288945165
Energy: 1.5981666866489868
Energy: 1.5990782429342774
Energy: 1.5930977574154277
Energy: 1.732680935540488
Energy: 1.8374431182476108
Energy: 1.595145446720424
Energy: 1.6440219103562665
Energy: 1.7872161945997826
Energy: 1.837843170331564
Energy: 1.644654660485291
Energy: 1.6444355819761465
Energy: 2.0010947298397825
Energy: 1.600766620187233
Energy: 2.0000740550609457
Energy: 1.6455283440178434
Energy: 1.641969225177257
Energy: 1.6421677786728006
Energy: 1.598379230896561
Energy: 1.676086762432412
Energy: 1.6434597191798006
Energy: 1.6424823835512494
Energy: 1.6475700352442488
Energy: 1.6465571236659156
Energy: 1.649591436379662
Energy: 1.5986634708051024
Energy: 1.6477582407621452
Energy: 1.646885605160551
Energy: 1.645167669682999
Energy: 1.646316229880116
Energy: 1.5918770789923546
Energy: 1.592902331887709
Energy: 1.6445312621469594
Energy: 1.6458795497539682
Energy: 1.6744442705225053
Energy: 1.6472794520486622
Energy: 1.839876454439626
Energy: 1.6399207631104846
Energy: 1.8393005924624233
Energy: 1.642540929108854
Energy: 1.9312656646572417
Energy: 1.8391622112626835
Energy: 1.6447260326890938
Energy: 1.676374912537088
Energy: 1.8081614166565956
Energy: 1.839334721576783
Energy: 1.676436775640156
Energy: 1.644081428588485
Energy: 1.8400790015949173
Energy: 1.6489274327354295
Energy: 1.8392748233803164
Energy: 1.6447605716821858
Energy: 1.6812342810149041
Energy: 1.8390361558166477
Energy: 1.643677976360153
Energy: 1.6500798331594355
Energy: 1.8398382521958885
Energy: 1.8065710081091564

minimum gb energy = 1.5918770789923546 eV
minimum distance =  2.18223182982028 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.5078764611099031
Energy: 1.6689860028929424
Energy: 1.5813198167511842
Energy: 1.5585853704190704
Energy: 1.8415910498997121
Energy: 1.5072942531637876
Energy: 1.6673824772728867
Energy: 1.66731383013216
Energy: 1.569717126734081
Energy: 1.5736736838165528
Energy: 1.571296779115896
Energy: 1.6680677688364507
Energy: 1.6678117231721137
Energy: 1.6681182332529558
Energy: 1.5701883828367675
Energy: 1.5543771287820047
Energy: 1.5705530482545291
Energy: 1.6683885179638356
Energy: 1.668165538711216
Energy: 1.6678816648525996
Energy: 1.5733835337827387
Energy: 1.5712102671135955
Energy: 1.6681468036097915
Energy: 1.6678712522362769
Energy: 1.6675158761550515
Energy: 1.6678396008133118
Energy: 1.6679508266660572
Energy: 1.5079879534026033
Energy: 1.6675518180897848
Energy: 1.6682261358263506
Energy: 1.57074287404724
Energy: 1.5708889032270783
Energy: 1.5076483952766346
Energy: 1.5108649174402553
Energy: 1.668911199762577
Energy: 1.5722065330861033
Energy: 1.5688391728441902
Energy: 1.569392091558602
Energy: 1.6683037776559242
Energy: 1.6675261556752994
Energy: 1.6679835213113967
Energy: 1.568951946299123
Energy: 1.567775742936957
Energy: 1.57024449110047
Energy: 1.66853832427634
Energy: 1.6677086404650452
Energy: 1.6676734386558243
Energy: 1.5696560011502079
Energy: 1.5729149506672022
Energy: 1.5704165223182416
Energy: 1.6690141308126294
Energy: 1.6678599868969937
Energy: 1.66807892687265
Energy: 1.5704583736098487
Energy: 1.5076464454579084
Energy: 1.6674538845443072
Energy: 1.6677159475494014
Energy: 1.6675477344098018
Energy: 1.6681981377422335
Energy: 1.6687173295669497

minimum gb energy = 1.5072942531637876 eV
minimum distance =  2.22312126349654 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.7191302248433895
Energy: 1.6257336586256315
Energy: 1.6246629496105962
Energy: 1.6299973313902663
Energy: 1.6271895188664505
Energy: 1.63477117351056
Energy: 1.6283331539235475
Energy: 1.6372970851550313
Energy: 1.6356476402642002
Energy: 1.8089374151605946
Energy: 1.6357215258233884
Energy: 1.6315206819647317
Energy: 1.8069288045543572
Energy: 1.7140967702738412
Energy: 1.6407985108602108
Energy: 1.8105216919627591
Energy: 1.6343632029257482
Energy: 1.8059985971883743
Energy: 1.8059890818054603
Energy: 1.638679581061255
Energy: 1.714021654460431
Energy: 1.6244398898183108
Energy: 1.7148073772350927
Energy: 1.6317566129006726
Energy: 1.8100826378601065
Energy: 1.6338915919138448
Energy: 1.6352890562129019
Energy: 1.8290854707245432
Energy: 1.6366795684812534
Energy: 1.8175525135465747
Energy: 1.7104099629890825
Energy: 1.8832135076417178
Energy: 1.6194574675134665
Energy: 1.6150481826951324
Energy: 1.8064621955079394
Energy: 1.7116525197765176
Energy: 1.9675202209377791
Energy: 1.6349460274336391
Energy: 1.63503627836385
Energy: 1.6256517302014928
Energy: 1.6397186526498924
Energy: 1.8173803991044652
Energy: 1.9698205508338646
Energy: 1.6371455965575887
Energy: 1.632757592796322
Energy: 1.6244094112801823
Energy: 1.6341621434673506
Energy: 1.6392182986056376
Energy: 1.8089572884391598
Energy: 1.6346976700208165
Energy: 1.6288886373841793
Energy: 1.618932835212301
Energy: 1.6270192369614103
Energy: 1.6921953557205023
Energy: 1.8351764823681351
Energy: 1.7217831479136674
Energy: 1.6320118872718277
Energy: 1.6225088825874359
Energy: 1.636449207610558
Energy: 1.7221203411757222
Energy: 1.9648179710687304
Energy: 1.7207152928944527
Energy: 1.626650741054546
Energy: 1.6246394260581851
Energy: 1.680598708855167
Energy: 1.6116318162524113
Energy: 1.7142555687663863
Energy: 1.7208741113030253
Energy: 1.6346507191555903
Energy: 1.6398644474435167
Energy: 1.6344690259438226
Energy: 1.680896129080575
Energy: 1.6241586217432862
Energy: 1.6345778401210314
Energy: 1.6345429235184379
Energy: 1.6410479254676051
Energy: 1.722050086263077
Energy: 1.6280416410402103
Energy: 1.6143759247024356
Energy: 1.632841250187787
Energy: 1.638460153581834
Energy: 1.7110599370680248
Energy: 1.6355571003135034
Energy: 1.6363201272500068
Energy: 1.6252410214719202
Energy: 1.6315725447467742
Energy: 1.6352523655819573
Energy: 1.8092701386496999
Energy: 1.6948160244357622
Energy: 1.6279657557549834
Energy: 1.624510897656647
Energy: 1.6835356100117516
Energy: 1.6363295582445396
Energy: 1.8062042500394397
Energy: 1.6367230934470436
Energy: 1.624709723534063
Energy: 1.9632150869676275
Energy: 1.694337605332588
Energy: 1.807203626918468
Energy: 1.8085118383106633
Energy: 1.6318070930535336
Energy: 1.6031060641922181
Energy: 1.9597840171899368
Energy: 1.6352954319934314
Energy: 1.8058374901015868
Energy: 1.8065779774737034
Energy: 1.6350269955878278
Energy: 1.6010124882052486
Energy: 1.8080449669808327
Energy: 1.7150355638484882
Energy: 1.6273656888596444
Energy: 1.6295581774689794
Energy: 1.6316224621922295
Energy: 1.7150025405448872
Energy: 1.8058571598370359
Energy: 1.6348981468470947
Energy: 1.6339118953830682
Energy: 1.807384724723813
Energy: 1.7151819522711025
Energy: 1.63889922441644
Energy: 1.8059074800878
Energy: 1.6357764249829227
Energy: 1.6326874890744936
Energy: 1.625826089834671
Energy: 1.6403710010193095
Energy: 1.636856992474414
Energy: 1.8089475165290616
Energy: 1.806957118923315
Energy: 1.612054242887282
Energy: 1.6098932923031557
Energy: 1.6943539713181637
Energy: 1.8081185784407656
Energy: 1.969813988292717
Energy: 1.6341901724553876
Energy: 1.6929045609973745
Energy: 1.6916103614022933
Energy: 1.6931950735168249
Energy: 1.8065444097157444
Energy: 1.9673751349314372
Energy: 1.6826463006331278
Energy: 1.6272788092337411
Energy: 1.6254753643851039
Energy: 1.6857794672232789
Energy: 1.5946514309104192
Energy: 1.9688801801866382
Energy: 1.6368062562835435
Energy: 1.637995964020037
Energy: 1.6243053991173895
Energy: 1.635915016905318
Energy: 1.8144620992516627
Energy: 1.8342763524349759
Energy: 1.6379529587740962
Energy: 1.634655668573437
Energy: 1.6228551035486365
Energy: 1.6358720075089814
Energy: 1.6371228971092642
Energy: 1.9648557725165283
Energy: 1.7284899656214634
Energy: 1.6234932972741487
Energy: 1.6260739719862998
Energy: 1.6320844127677587
Energy: 1.611991364909019
Energy: 1.8241327562274268
Energy: 1.7213044926409535
Energy: 1.6332517757639202
Energy: 1.8018726124582962
Energy: 1.6347302075628374
Energy: 1.6337774221755321
Energy: 1.6238278568655258
Energy: 1.6295300794649992
Energy: 1.6409905359095291
Energy: 1.6417183825166748
Energy: 1.7211411573923836
Energy: 1.622422904572388
Energy: 1.6213792203950204
Energy: 1.6340785930846662
Energy: 1.6387943915376213
Energy: 1.8330577777188557
Energy: 1.6366955687338247
Energy: 1.6308002870347802
Energy: 1.6231805588847785
Energy: 1.6363710680462165
Energy: 1.6956867124320938
Energy: 1.9690767029581067
Energy: 1.6345072952466548
Energy: 1.6274926933520926
Energy: 1.6229484073462603
Energy: 1.6333375134184716
Energy: 1.6827521985098035
Energy: 1.6335390774075154
Energy: 1.6828312195088997
Energy: 1.6226874042290484
Energy: 1.5930682648646197
Energy: 1.6933850732027893
Energy: 1.6319524218585792
Energy: 1.9708874010488138
Energy: 1.6353059405639205
Energy: 1.7016776654703927

minimum gb energy = 1.5930682648646197 eV
minimum distance =  2.18373538545158 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.396051104107461
Energy: 1.8569612818392363
Energy: 1.771347001389175
Energy: 1.7619160403515468
Energy: 1.7673368540757362
Energy: 1.654359825667701
Energy: 1.6292792783619132
Energy: 1.6048824955301146
Energy: 1.6195313527901596
Energy: 1.8397768616389125
Energy: 1.620178571910833
Energy: 1.6062302932288075
Energy: 1.633135437957424
Energy: 1.6742374305483196
Energy: 1.606624029637204
Energy: 1.8447501764775345
Energy: 1.6189246349513773
Energy: 1.842267209361442
Energy: 1.835958138405817
Energy: 1.6444770164407294
Energy: 1.6704320841041729
Energy: 1.7613229176046867
Energy: 1.671135100390897
Energy: 1.8894203335481
Energy: 1.8383342610246174
Energy: 1.7366529107726636
Energy: 1.675418170000062
Energy: 1.6063546053497209
Energy: 1.6712731906111917
Energy: 1.8436325989793416
Energy: 1.6987410167973618
Energy: 1.8929630393665062
Energy: 1.6020233828870336
Energy: 1.7115182982028292
Energy: 1.842011756116695
Energy: 1.8985658584471383
Energy: 2.032141562785928
Energy: 1.6432508234226928
Energy: 1.6323100096905985
Energy: 1.5955502255554903
Energy: 1.6737208984947103
Energy: 1.8431666521644456
Energy: 2.0345519133439876
Energy: 1.6453032901030762
Energy: 1.716061405940367
Energy: 1.7082311487618054
Energy: 1.6145205459536265
Energy: 1.6044333818113399
Energy: 1.7730589364017737
Energy: 1.6072845653607752
Energy: 1.6105520080491764
Energy: 1.7026883201942395
Energy: 1.6131989206171335
Energy: 1.6095939190066966
Energy: 1.7718245251071092
Energy: 1.647873232026983
Energy: 1.6090210016834274
Energy: 1.705748333373547
Energy: 1.611120950212646
Energy: 1.609164742209235
Energy: 1.7740874790854864
Energy: 1.6112026771472403
Energy: 1.7774174978147368
Energy: 1.7016382216864079
Energy: 2.040103426222955
Energy: 1.609011408174988
Energy: 1.7731923255285689
Energy: 1.7073885814822336
Energy: 1.6150372233693333
Energy: 1.5972883769277773
Energy: 1.610748283625757
Energy: 1.5963619994458855
Energy: 1.7279112463817325
Energy: 1.6074143492687498
Energy: 1.6163560617137742
Energy: 1.597328365846265
Energy: 1.6449360933869805
Energy: 1.5966733358973675
Energy: 1.7295745002705412
Energy: 1.6129380746925097
Energy: 1.7671548004262336
Energy: 1.7023831518698755
Energy: 1.7681395984615338
Energy: 1.6081791113399724
Energy: 1.7275974006698331
Energy: 1.6090293760942913
Energy: 1.6099955700081752
Energy: 1.910709085730988
Energy: 1.6450969603775285
Energy: 1.606364438073749
Energy: 1.7284686421433975
Energy: 1.609435350029066
Energy: 1.620218453262729
Energy: 1.9125587714896377
Energy: 1.6112419868992764
Energy: 1.6546744490549923
Energy: 1.8657606402764015
Energy: 1.637265113877092
Energy: 1.911713167153954
Energy: 1.7049160188046124
Energy: 1.810180140085299
Energy: 1.6019950099763378
Energy: 1.8640039478220647
Energy: 1.632263376266843
Energy: 1.907507100086629
Energy: 1.8426475194710448
Energy: 1.6325733974852328
Energy: 1.6433893270741207
Energy: 1.629695893784425
Energy: 1.6389888849934606
Energy: 1.614954491245777
Energy: 1.86168831980697
Energy: 1.67135365299133
Energy: 1.62957491977762
Energy: 1.627223936577397
Energy: 1.6391173388457037
Energy: 1.6393418182591069
Energy: 2.0525493218663047
Energy: 1.6386092018753748
Energy: 1.6442010999841767
Energy: 1.6320724193282359
Energy: 1.6427397462447477
Energy: 1.641624147937932
Energy: 1.8181248864095905
Energy: 1.6417371273652732
Energy: 1.6404438977005946
Energy: 1.6311334643691904
Energy: 1.634078573445767
Energy: 1.6175586572150842
Energy: 1.8371731543706797
Energy: 1.6042031158451004
Energy: 1.6328030187139395
Energy: 1.6042289930702627
Energy: 1.7161679347122103
Energy: 1.6194201362043952
Energy: 1.8405358069218005
Energy: 1.6173821688501209
Energy: 1.646662773481912

minimum gb energy = 1.5955502255554903 eV
minimum distance =  2.19249960778932 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.0920204659262573
Energy: 1.8323969278339782
Energy: 1.8324257043001588
Energy: 1.8335402913142151
Energy: 1.8326943583346211
Energy: 2.209012183828418
Energy: 1.5567493993104207
Energy: 1.6274380186451634
Energy: 1.716016118452935
Energy: 1.8971852296846234
Energy: 1.5929580334160753
Energy: 1.5676941522920642
Energy: 1.6613751798096823
Energy: 1.5936042324756414
Energy: 1.5934321149194728
Energy: 1.7650819355924954
Energy: 1.5926176670284238
Energy: 1.6725971159950856
Energy: 1.660923517132946
Energy: 1.561199506845298
Energy: 1.560663884192254
Energy: 1.770200237140421
Energy: 1.5596556947430824
Energy: 1.6913073839297668
Energy: 1.663373041564991
Energy: 1.5670358712742265
Energy: 1.5928040617658776
Energy: 1.807518620156741
Energy: 1.5923116840113565
Energy: 1.670757780006265
Energy: 1.6636807484881528
Energy: 1.5690606809035226
Energy: 1.5644865897249727
Energy: 1.9361240486917535
Energy: 1.5658825888443386
Energy: 1.5575453213950265
Energy: 1.9792097169846952
Energy: 1.567937247689038
Energy: 1.5960446137833266
Energy: 1.768967757577501
Energy: 1.5922551316891544
Energy: 1.6698234889945647
Energy: 1.9762186836231206
Energy: 1.625235547646577
Energy: 1.6738164026673978
Energy: 1.6625466430716385
Energy: 1.625929329668101
Energy: 1.5554396304313232
Energy: 1.670998944095228
Energy: 1.560593152530357
Energy: 1.5652740862615149
Energy: 1.6638024868864878
Energy: 1.565952193876939
Energy: 1.562729529609106
Energy: 1.8955554746749326
Energy: 1.5946792206997316
Energy: 1.566343595576235
Energy: 1.661523781440575
Energy: 1.5669225391300157
Energy: 1.594149965243345
Energy: 1.8956486703366355
Energy: 1.6296406860370167
Energy: 1.586487678712814
Energy: 1.6627198348418275
Energy: 1.5645632676186634
Energy: 1.6296679402349714
Energy: 1.8222205641887252
Energy: 1.7265145507494897
Energy: 1.5629200183225898
Energy: 1.8028340327303127
Energy: 1.564247459185652
Energy: 1.8228506551255583
Energy: 1.9390442133501788
Energy: 1.778715413628522
Energy: 1.562794442064699
Energy: 1.8027594609963153
Energy: 1.5641623789792904
Energy: 1.822043435821317
Energy: 1.8697537757151523
Energy: 1.5953422172603862
Energy: 1.5621517770852695
Energy: 1.5573998681351984
Energy: 1.6284182702446266
Energy: 1.6793023579793958
Energy: 2.0223859290132773
Energy: 1.5671624491509368
Energy: 1.5668179318421902
Energy: 1.5564214418856916
Energy: 1.562573652083167
Energy: 1.6264676851828015
Energy: 1.9431955409396418
Energy: 1.561926020645277
Energy: 1.5588528941351412
Energy: 1.5556995006201906
Energy: 1.5620809541373468
Energy: 1.5625151175720022
Energy: 1.8938284844930056
Energy: 1.5941858188527422
Energy: 1.559572517403854
Energy: 1.5559389839682973
Energy: 1.5619527486531386
Energy: 1.5940846450886323
Energy: 1.937308348338508
Energy: 1.5940456518660822
Energy: 1.587547864845225
Energy: 1.5562256102484975
Energy: 1.5626705124887217
Energy: 1.9649948218144926
Energy: 1.8930250627181742
Energy: 1.7744557024484577
Energy: 1.5550771644981665
Energy: 1.8234057644672144
Energy: 1.7273887586577548
Energy: 1.775050936015783
Energy: 1.895411615920734
Energy: 1.5938768032578763
Energy: 1.5633521991041868
Energy: 1.6631397985533622
Energy: 1.6255717285666824
Energy: 1.8219096984373786
Energy: 1.7648844285332623
Energy: 1.629874407574657
Energy: 1.5946718972690705
Energy: 1.661323780178173
Energy: 1.5932435317301858
Energy: 1.5645186213991862
Energy: 1.822139364230598
Energy: 1.5676949021350497
Energy: 1.5618800616907473
Energy: 1.666221357680001
Energy: 1.5638646611923237
Energy: 1.7156447337248601
Energy: 1.768898646330849
Energy: 1.6237772984318142
Energy: 1.6734510194215921
Energy: 1.6627650221085954
Energy: 1.5672262523367013
Energy: 1.59286260574824
Energy: 2.0025353831575297
Energy: 1.580002704223504
Energy: 1.6710696672922436
Energy: 1.662791471145871
Energy: 1.6725222958579478
Energy: 1.5540583692628724
Energy: 1.7688842945808834
Energy: 1.5941488434812405
Energy: 1.5632771757729707
Energy: 1.7705634783766153
Energy: 1.592484074578662
Energy: 1.6695913036451693
Energy: 1.6614129965602016
Energy: 1.672080109011067
Energy: 1.5554577520175323
Energy: 2.020623501845396
Energy: 1.5943162088981349
Energy: 1.6705022690713354
Energy: 1.6595529998573737
Energy: 1.5663812224116729
Energy: 1.5603085498723221
Energy: 1.6736781074061595
Energy: 1.5668661015198364
Energy: 1.5653410401449317
Energy: 1.6606336910109374
Energy: 1.5662693132223016
Energy: 1.5937742119351226
Energy: 1.8975692910070103
Energy: 1.564171400193868
Energy: 1.5650993251218799
Energy: 1.6622763713219473
Energy: 1.5922144167426076
Energy: 1.6291244070457715
Energy: 1.8951452221419303
Energy: 1.6271630850804943
Energy: 1.5862229185915884
Energy: 1.7678418493116768
Energy: 1.562942032736067
Energy: 1.8216868562693451
Energy: 1.8212313874802242
Energy: 1.5659213191081427
Energy: 1.5529198655080456
Energy: 1.8822022340195332
Energy: 1.5606701425363283
Energy: 1.821861896371004
Energy: 1.9365116225346086
Energy: 1.5592425343272398
Energy: 1.5558983850455899
Energy: 1.555081809874299
Energy: 1.5637993249225985
Energy: 1.5946284976620888
Energy: 1.8689168357928743
Energy: 1.592705251888857
Energy: 1.569893539632697
Energy: 1.555502420623544
Energy: 1.5624330553549715
Energy: 1.6285635705944672
Energy: 2.0201302100626544
Energy: 1.564376503114451
Energy: 1.5694375758741006
Energy: 1.5594244757149338
Energy: 1.5617563572239332
Energy: 1.5627436725438015
Energy: 1.9796754043313212
Energy: 1.5603376200280137
Energy: 1.5549549735388946
Energy: 1.5591217933367243
Energy: 1.5593624814938563
Energy: 1.5924101515429643
Energy: 1.8976663228391863
Energy: 1.5642825805639198
Energy: 1.5632107998223534
Energy: 1.555510404749492
Energy: 1.5860246843895769
Energy: 1.5936529161003299
Energy: 1.8971387646300395
Energy: 1.5924113924929137
Energy: 1.5576483231794802
Energy: 1.9754223753443514
Energy: 1.5613811229580676
Energy: 1.7974716635874606
Energy: 1.7981678337471263
Energy: 1.7263447711583244
Energy: 1.822592950082964

minimum gb energy = 1.5529198655080456 eV
minimum distance =  2.16910869000148 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.260335669902847
Energy: 2.0577760343149345
Energy: 1.6256083204153549
Energy: 1.6152392015545964
Energy: 1.6237892678928127
Energy: 2.1472270031288643
Energy: 1.6204000847513271
Energy: 1.3437746512423963
Energy: 1.3387151894440787
Energy: 1.6223319265873193
Energy: 1.3409095385337977
Energy: 1.3391645121698097
Energy: 1.6205389855155172
Energy: 1.344147615711406
Energy: 1.3395081385003984
Energy: 1.33999837184626
Energy: 1.3396197143818613
Energy: 1.3430750365242659
Energy: 1.6262438494195288
Energy: 1.74357047460807
Energy: 1.3429187559101274
Energy: 1.6209562974688527
Energy: 1.3442403497701076
Energy: 1.7448467660518687
Energy: 1.6202554448823185
Energy: 1.3430565742831018
Energy: 1.3387385849275752
Energy: 1.6238546858932807
Energy: 1.3403737077567763
Energy: 1.6308336350942136
Energy: 1.614929580585718
Energy: 1.6245708032029618
Energy: 1.3433970709187106
Energy: 1.7484045809689384
Energy: 1.3434628824147505
Energy: 1.6242814648439763
Energy: 1.8881397854004318
Energy: 1.3438200340837518
Energy: 1.339764033467267
Energy: 1.6203024019022925
Energy: 1.344930913044507
Energy: 1.6495860171383776
Energy: 1.8879666154737487
Energy: 1.3436044769388442
Energy: 1.3388664544986142
Energy: 1.6188045473171542
Energy: 1.3461565880109987
Energy: 2.1554856838470107
Energy: 1.61864795958817
Energy: 1.345296405184333
Energy: 1.3431237798009745
Energy: 1.3399821549130486
Energy: 1.3460399603653908
Energy: 1.3408626098111114
Energy: 1.6305688201488118
Energy: 1.3439543434063057
Energy: 1.3424929839595188
Energy: 1.6805490885263235
Energy: 1.3459895161930504
Energy: 1.3445780900467006
Energy: 1.6197551032866095
Energy: 1.3442855983732582
Energy: 1.3439319880323404
Energy: 1.6195580070283475
Energy: 1.3445537536156973
Energy: 1.7536740671793956
Energy: 1.6170284721773331
Energy: 1.6295254445568683
Energy: 1.343223192175689
Energy: 1.6197918528937423
Energy: 1.345047363436463
Energy: 1.6292818257910004
Energy: 1.6183629566301911
Energy: 1.630922552942786
Energy: 1.3435703485674388
Energy: 1.6830056355238106
Energy: 1.3449582757657537
Energy: 1.628567341978389
Energy: 1.8881715158386632
Energy: 1.7448646902778109
Energy: 1.3429280801690135
Energy: 1.6170525659569566
Energy: 1.3447950432056897
Energy: 2.1498352121384143

minimum gb energy = 1.3387151894440787 eV
minimum distance =  2.18247931517026 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.1731774033480984
Energy: 1.5659894751188843
Energy: 1.5658481297473226
Energy: 1.7612691687995756
Energy: 1.566436413811214
Energy: 2.3572828305697757
Energy: 1.5751928581662091
Energy: 1.7080157589800224
Energy: 1.709109289465484
Energy: 1.664138141210456
Energy: 1.7148626131203535
Energy: 1.718324923730015
Energy: 1.575126154655873
Energy: 1.5884398906266344
Energy: 1.709039434785667
Energy: 1.8182483446304731
Energy: 1.708465734807303
Energy: 1.5876201488711994
Energy: 1.5753960621499647
Energy: 1.5886342627984162
Energy: 1.5888796021276725
Energy: 1.6645126996246395
Energy: 1.5887735643793266
Energy: 1.5890154800079144
Energy: 1.5763157649634931
Energy: 1.5902451305864922
Energy: 1.7144434993202629
Energy: 1.664163623111402
Energy: 1.5963833961213425
Energy: 1.5879949457538396
Energy: 1.5750551541612496
Energy: 1.596731767514321
Energy: 1.7080145730790823
Energy: 1.9319294411998524
Energy: 1.5930962876334553
Energy: 1.5879963768850016
Energy: 1.6956632231916449
Energy: 1.7162131389341255
Energy: 1.6558418173876976
Energy: 1.6645503745818482
Energy: 1.7146591782826404
Energy: 1.704552528897713
Energy: 1.6958457514208205
Energy: 1.7154592275600908
Energy: 1.6633299290373609
Energy: 1.661341118258213
Energy: 1.716654734120228
Energy: 1.7138480082605287
Energy: 1.5785263554325484
Energy: 1.5864803300892658
Energy: 1.593209833712069
Energy: 1.8329898420900421
Energy: 1.7077343975986388
Energy: 1.5858885945954666
Energy: 1.661381362433521
Energy: 1.678559803431003
Energy: 1.595639338857537
Energy: 1.5621420080345392
Energy: 1.7101768687650412
Energy: 1.6620576733925938
Energy: 1.666174159626711
Energy: 1.7152237597964421
Energy: 1.5967592678989686
Energy: 1.6648766063007134
Energy: 1.721843824651546
Energy: 1.715355472836402
Energy: 1.6650009605217089
Energy: 1.6022860474651053
Energy: 1.5885913512975496
Energy: 1.6658126942995861
Energy: 1.7159162393910234
Energy: 1.7179633569136215
Energy: 1.6616215711200484
Energy: 1.7144928410301579
Energy: 1.5891081206821045
Energy: 1.6659123877693984
Energy: 1.714650554988127
Energy: 1.6126986487890824
Energy: 1.7411735912008106
Energy: 1.5933706020542522
Energy: 1.6797989116128835
Energy: 1.6617439089029407
Energy: 1.677882130954355
Energy: 1.708057967841022
Energy: 1.705739912079467
Energy: 1.7148526862705507
Energy: 1.6915047447006732
Energy: 1.585076548167414
Energy: 1.7091585197317762
Energy: 1.8155514819370988
Energy: 1.7051257585771622
Energy: 1.5757639903620355
Energy: 1.8104179600345867
Energy: 1.5826414408262894
Energy: 1.707819831099783
Energy: 1.6638529826551305
Energy: 1.6643545843723286
Energy: 1.7156047389507367
Energy: 1.719349746719489
Energy: 1.5629181968237176
Energy: 1.7224409420201157
Energy: 1.7579161623997777
Energy: 1.7591858122631885
Energy: 1.7092839674126297
Energy: 1.591364930013975
Energy: 1.5756826397156938
Energy: 1.5890420051736536
Energy: 1.9148787186601592
Energy: 1.6642805825653262
Energy: 1.588886253822945
Energy: 1.595014387756554
Energy: 1.5849637840435782
Energy: 1.588537775128183
Energy: 1.716020905486656
Energy: 1.664276846237919
Energy: 1.5927334932023092
Energy: 1.592619202590085
Energy: 1.5853936739651033
Energy: 1.5989652657129825
Energy: 1.7150099008604887
Energy: 1.9316234054687786
Energy: 1.7219232859624487
Energy: 1.5914596557821885
Energy: 1.575970269745248
Energy: 1.5949378851156342
Energy: 1.709027227187294
Energy: 1.6644956631132755
Energy: 1.8168832064804255
Energy: 1.72106700624602
Energy: 1.6580836399951568
Energy: 1.7161344088628756
Energy: 1.6656624697574658
Energy: 1.7062818616970603
Energy: 1.6630757926026467
Energy: 1.7066043265894226
Energy: 1.651216717307016
Energy: 1.7168476144567664
Energy: 1.6620602922463454
Energy: 1.7423068835286009
Energy: 1.707921940653759
Energy: 1.5857761835564863
Energy: 1.5864843294443216
Energy: 1.7088249817794487
Energy: 1.582003775001887
Energy: 1.8333500700542804
Energy: 1.593739590205945
Energy: 1.6804820394151156
Energy: 1.6616877006421127
Energy: 1.678893886205885
Energy: 1.581724617689172
Energy: 1.6611933369288348
Energy: 1.5899717250722476
Energy: 1.7152370268209396
Energy: 1.6686400204063112
Energy: 1.7150704140499207
Energy: 1.5964806549974302
Energy: 1.6659186706813587
Energy: 1.7152772343144225
Energy: 1.5889288891952607
Energy: 1.6651804855887533
Energy: 1.6031119798075786
Energy: 1.589131470378765
Energy: 1.6659942143968627
Energy: 1.715802011042146
Energy: 1.5891573443187719
Energy: 1.6621825449899126
Energy: 1.7148440330953296
Energy: 1.591071622556953
Energy: 1.6615104806954002
Energy: 1.678207304930022
Energy: 1.7083953205594968
Energy: 1.6509811056712536
Energy: 1.708402906996769
Energy: 1.6791484099653462
Energy: 1.5761696404795018
Energy: 1.708388888477301
Energy: 1.715843390807147
Energy: 1.6642929101906743
Energy: 1.707723775665323
Energy: 1.5860681086446622
Energy: 1.5609459391450153
Energy: 1.7154140393371646
Energy: 1.6623889858758591
Energy: 1.7070398485213272
Energy: 1.7077645912623494
Energy: 1.8181205476697706

minimum gb energy = 1.5609459391450153 eV
minimum distance =  2.2269209360542 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.7183402512873753
Energy: 1.6231047881643357
Energy: 1.606284857135512
Energy: 1.6053631004773632
Energy: 1.623998678170198
Energy: 1.628974880354797
Energy: 1.6056442470574328
Energy: 1.663034893109571
Energy: 1.662655915141411
Energy: 1.605400953521233
Energy: 1.6735245832084586
Energy: 1.6631806006647283
Energy: 1.6053582372853745
Energy: 1.6401365885077275
Energy: 1.6401446928682704
Energy: 1.6290742015288067
Energy: 1.6429199674067427
Energy: 1.6071886455541775
Energy: 1.6051117285318233
Energy: 1.6512380066023304
Energy: 1.6478162264187508
Energy: 1.6054621251155645
Energy: 1.6468802556397526
Energy: 1.6243871830614056
Energy: 1.6079788064237779
Energy: 1.6245081420983323
Energy: 1.6630999089474265
Energy: 1.605430649258256
Energy: 1.623650697969877
Energy: 1.624266089832776
Energy: 1.605491563216076
Energy: 1.662996510438943
Energy: 1.6404471880924105
Energy: 1.6057687345524827
Energy: 1.641038955389399
Energy: 1.7682277399019308
Energy: 1.6022389489427133
Energy: 1.6423716790666194
Energy: 1.6064461161699377
Energy: 1.6068813776714301
Energy: 1.6700305491489627
Energy: 1.673005889766862
Energy: 1.6020426235970127
Energy: 1.6405986033261855
Energy: 1.706827987849763
Energy: 1.6058324212326294
Energy: 1.6060944063197307
Energy: 1.6411447382553683
Energy: 1.6053174842725715
Energy: 1.7684514317745594
Energy: 1.6303088276939304
Energy: 1.5873371304950228
Energy: 1.641194970530836
Energy: 1.7070884166929097
Energy: 1.6056045386508009
Energy: 1.6613065586204459
Energy: 1.6310080307022075
Energy: 1.5872129820736158
Energy: 1.6414746585755702
Energy: 1.6059368407338879
Energy: 1.58696901411534
Energy: 1.6405330209582443
Energy: 1.7668469663078796
Energy: 1.605866101302854
Energy: 1.7656458121378453
Energy: 1.6405878019226425
Energy: 1.5871229527273938
Energy: 1.6434032864155046
Energy: 1.625657354247592
Energy: 1.6063528772058
Energy: 1.6271906130808709
Energy: 1.671014519556405
Energy: 1.6067587213020524
Energy: 1.6474548773896642
Energy: 1.6246492457087702
Energy: 1.6062129136540138
Energy: 1.652669934470401
Energy: 1.6457023567286087
Energy: 1.6051124882513308
Energy: 1.6406261020055106
Energy: 1.606612496441316
Energy: 1.6056473680395857
Energy: 1.6410621902682012
Energy: 1.6402273983437614
Energy: 1.6051264763530755
Energy: 1.672024629163747
Energy: 1.6621902860754585
Energy: 1.6056000843221865
Energy: 1.6636483411357645
Energy: 1.605969816030253
Energy: 1.6059719509486767
Energy: 1.6233338360257101
Energy: 1.6402209806670496
Energy: 1.6375295020632017
Energy: 1.6229869413686084
Energy: 1.606945826055414
Energy: 1.5877237635403427
Energy: 1.6622555920175772
Energy: 1.6622816868653962
Energy: 1.606485270539339
Energy: 1.6627489065424188
Energy: 1.6074511724540883

minimum gb energy = 1.58696901411534 eV
minimum distance =  2.209161392779 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.9090813590829323
Energy: 1.7364771201482383
Energy: 1.700519474067169
Energy: 1.8457199073824127
Energy: 1.6905805717011813
Energy: 1.7476903209347665
Energy: 1.7134128168964498
Energy: 1.8052922802715434
Energy: 1.6660344258689501
Energy: 1.6655626089679207
Energy: 1.8060467151452266
Energy: 1.6980733584652528
Energy: 1.6817923017143181
Energy: 1.6623680870012056
Energy: 1.8138166952243477
Energy: 1.8111638176857632
Energy: 1.8057058150478544
Energy: 1.6612989285929096
Energy: 1.67902673336107
Energy: 1.6631843301839118
Energy: 1.6297083869257378
Energy: 1.6651231307429943
Energy: 1.7258861904248244
Energy: 1.6618238565269
Energy: 1.680241756096704
Energy: 1.7082632543500915
Energy: 1.6172995985497707
Energy: 1.682227612446731
Energy: 1.6183016046762126
Energy: 1.708068293472336
Energy: 1.6846578984850176
Energy: 1.6173513863294813
Energy: 1.7075235856612752
Energy: 1.681605446184817
Energy: 1.708825614436591
Energy: 1.6107023667866112
Energy: 1.6792054826301361
Energy: 1.661305339184962
Energy: 1.662263017346941
Energy: 1.6627612651438768
Energy: 1.661788221555222
Energy: 1.7256023691311138
Energy: 1.679218501183412
Energy: 1.8054957769304398
Energy: 1.6881347450473294
Energy: 1.688116373211235
Energy: 1.6946021306873684
Energy: 1.868031053014
Energy: 1.6902853758534913
Energy: 1.6641669670930137
Energy: 1.8055805575919672
Energy: 1.6632632544662702
Energy: 1.8053933515975122
Energy: 1.6638812959391351
Energy: 1.6850543193044727
Energy: 1.6872592112080287
Energy: 1.805419688263674
Energy: 1.6632565381088682
Energy: 1.805535941214532
Energy: 1.6874687537676567
Energy: 1.6489731809115622
Energy: 1.8058171200576085
Energy: 1.6894155310686092
Energy: 1.6986410568049612
Energy: 1.6868783659267068
Energy: 1.8130763866732333
Energy: 1.6497827568422139
Energy: 1.8080152670039826
Energy: 1.666506300044393
Energy: 1.6645157484594313
Energy: 1.7124495394834978
Energy: 1.8134545591096547
Energy: 1.6805232890739785
Energy: 1.6933733023833852
Energy: 1.8281104969261837
Energy: 1.7144630832806438
Energy: 1.8216179722499302
Energy: 1.6877396863235037
Energy: 1.6834839765227305
Energy: 1.6614822737152033
Energy: 1.7262716179797304
Energy: 1.7147653670540068
Energy: 1.6607593054901697
Energy: 1.6639259905268236
Energy: 1.6800622327345878
Energy: 1.708270294216022
Energy: 1.617645423441301
Energy: 1.6816026879763286
Energy: 1.617678166661294
Energy: 1.707937436964282
Energy: 1.6793231112903506
Energy: 1.617168385832592
Energy: 1.704363022027578
Energy: 1.7045758598739529
Energy: 1.707782619777875
Energy: 1.6177007303772026
Energy: 1.6786928565356365
Energy: 1.7248037158913938
Energy: 1.662326396515213
Energy: 1.6628036349472166
Energy: 1.6620462995265222
Energy: 1.7241351432395626
Energy: 1.6833915631511682
Energy: 1.8065846781979114
Energy: 1.6939120770603446
Energy: 1.6847456946494686
Energy: 1.6696907521353852
Energy: 1.8272359605116233
Energy: 1.6846250333504358
Energy: 1.8058541591015083
Energy: 1.8056895096737138
Energy: 1.6643425924724815
Energy: 1.8703320308487748
Energy: 1.664127282555527
Energy: 1.681279670390278
Energy: 1.6881987449106348
Energy: 1.821773786674561
Energy: 1.8168821876107324
Energy: 1.6928554370810351
Energy: 1.6993929103023682
Energy: 1.6488678454684071
Energy: 1.8057571121426015
Energy: 1.6675949746526029
Energy: 1.686996928768422
Energy: 1.8051970005675813
Energy: 1.807221294004941

minimum gb energy = 1.6107023667866112 eV
minimum distance =  2.21432363552976 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.233179211474414
Energy: 1.787001825868004
Energy: 1.7991581436108397
Energy: 1.7880172726165229
Energy: 1.787354128986493
Energy: 1.724405436336533
Energy: 1.6885095393980405
Energy: 1.8625170185014321
Energy: 1.7154498357800851
Energy: 1.6982135165463732
Energy: 1.9736775812901703
Energy: 1.6985088139917723
Energy: 1.6891627528651152
Energy: 1.70340125740125
Energy: 1.9077212578858518
Energy: 1.9075581851621877
Energy: 1.7028273477242017
Energy: 1.7039118555478194
Energy: 1.7165862922525013
Energy: 1.682276895076646
Energy: 1.6632514756666366
Energy: 1.7953575377933264
Energy: 1.7771207270661302
Energy: 1.68442342584304
Energy: 1.6569159729934073
Energy: 1.663046160513977
Energy: 1.638493706899462
Energy: 1.6673467212196582
Energy: 1.6630905880445412
Energy: 1.7752543195300643
Energy: 1.6613074226468985
Energy: 1.6665040842473777
Energy: 1.6387737362899306
Energy: 1.665050833957051
Energy: 1.641218644498994
Energy: 1.6666217193563313
Energy: 1.6877542024506167
Energy: 1.6639032121800401
Energy: 1.6399148359385305
Energy: 1.6390997761202348
Energy: 1.639515581054042
Energy: 1.6631682919515889
Energy: 1.6877882145093948
Energy: 1.7768749266138035
Energy: 1.6642242402057286
Energy: 1.669862526488122
Energy: 1.7786060931162264
Energy: 1.7763860466998758
Energy: 1.689054650413516
Energy: 1.6821103666669353
Energy: 1.6824262603592783
Energy: 1.7143071308614484
Energy: 1.6822864497413414
Energy: 1.6829812187807174
Energy: 1.687724705165492
Energy: 1.7044121633209914
Energy: 1.9717761164414724
Energy: 1.7138319062244451
Energy: 1.861114133583457
Energy: 1.7084351338640988
Energy: 1.710494627635519
Energy: 1.8489944281034913
Energy: 1.7859767421132229
Energy: 1.7885565363650189
Energy: 1.6990028113032016
Energy: 1.8418355197154328
Energy: 1.6871454618429091
Energy: 1.8610857112728605
Energy: 1.7079740929449636
Energy: 1.7992971799268953
Energy: 1.7045950942393997
Energy: 1.972805334804145
Energy: 1.785690189384679
Energy: 1.8001038150021913
Energy: 1.7159832492909484
Energy: 1.7133650422923323
Energy: 1.6831086089787037
Energy: 1.8001464064956387
Energy: 1.7871068785663067
Energy: 1.6983247988258316
Energy: 1.9737144467669716
Energy: 1.6574090319350527
Energy: 1.861276538268416
Energy: 1.7007866905032172
Energy: 1.7147876156538395
Energy: 1.8586821708737644
Energy: 1.7049069137785295
Energy: 1.7051428087859934
Energy: 1.7032504567041458
Energy: 1.9074998680620663
Energy: 1.7140408103517772
Energy: 1.8089930419772176
Energy: 1.6820465748956783
Energy: 1.6832672543072555
Energy: 1.682202013051342
Energy: 1.7787002922390682
Energy: 1.6662712756709466
Energy: 1.6641723719095718
Energy: 1.7788458797627278
Energy: 1.6372412717463711
Energy: 1.7777040503376516
Energy: 1.66321959755523
Energy: 1.6645381922852387
Energy: 1.6425060491196841
Energy: 1.6663951180931869
Energy: 1.6833513358800993
Energy: 1.639364209355455
Energy: 1.639463829985695
Energy: 1.6646555636942018
Energy: 1.6402506567660273
Energy: 1.666203051125556
Energy: 1.6837034325398912
Energy: 1.6393507859036913
Energy: 1.6399079357892752
Energy: 1.6655447606915266
Energy: 1.6638858456836996
Energy: 1.778967383362655
Energy: 1.776350842631546
Energy: 1.777936354347726
Energy: 1.6626164174454878
Energy: 1.695208063119397
Energy: 1.806434801261204
Energy: 1.6821829989711234
Energy: 1.682312984579455
Energy: 1.6821747132497953
Energy: 1.7788646663616112
Energy: 1.6860473134173553
Energy: 1.8486452726132596
Energy: 1.7045898540915991
Energy: 1.6883568610420314
Energy: 1.704832917893509
Energy: 1.8517038346516106
Energy: 1.7874727132749668
Energy: 1.7004325890777403
Energy: 1.9727781683215984
Energy: 1.6808221199918558
Energy: 1.8609804154679765
Energy: 1.6971524184070457
Energy: 1.78590328515291
Energy: 1.7995642899362132
Energy: 1.841980640712711
Energy: 1.7111131773958141
Energy: 1.703299437524642
Energy: 1.799584146717026
Energy: 1.657537298162529
Energy: 1.9721867183114812
Energy: 1.7065122419999244
Energy: 1.705159605616682
Energy: 1.699668261762533
Energy: 1.9104067726634981

minimum gb energy = 1.6372412717463711 eV
minimum distance =  2.20979695294536 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.7423508533950782
Energy: 1.7424350258460544
Energy: 1.741745350523917
Energy: 1.7423137087526988
Energy: 1.741783156928972
Energy: 1.650789506253626
Energy: 1.6609611858178321
Energy: 1.8961394665224998
Energy: 1.7134692181754732
Energy: 1.6641527691806448
Energy: 2.03249843817381
Energy: 1.6647164918690114
Energy: 1.6613167648367884
Energy: 1.7016954879829462
Energy: 1.8831000343874071
Energy: 1.8243062714458105
Energy: 1.701912030630039
Energy: 1.7017891018007172
Energy: 1.6677348719372944
Energy: 1.7115290504272664
Energy: 1.7186468527725636
Energy: 1.6698471833852924
Energy: 1.7183349472422276
Energy: 1.6642567335422827
Energy: 1.6623052124357864
Energy: 1.801777497949985
Energy: 1.6437007359397358
Energy: 1.6702050279260912
Energy: 1.643638063333825
Energy: 1.831489905534059
Energy: 1.6667724176754903
Energy: 1.6585832562779808
Energy: 1.6442888103459183
Energy: 1.6687164005684134
Energy: 1.643754844283621
Energy: 1.6589676182227144
Energy: 1.6662062207581767
Energy: 1.6672441688928497
Energy: 1.6597582533353263
Energy: 1.6590331977940167
Energy: 1.6591662667274674
Energy: 1.6672717205459744
Energy: 1.6663327523646907
Energy: 1.6683887974621145
Energy: 1.6670825812472332
Energy: 1.6661856102922294
Energy: 1.6672575907582141
Energy: 1.6670892984476868
Energy: 1.6660469656433199
Energy: 1.652995379932024
Energy: 1.6407019438282755
Energy: 1.6493845513322145
Energy: 1.6524558009240466
Energy: 1.6522411951499456
Energy: 1.6661169112949625
Energy: 1.6440084994022233
Energy: 1.8572953008426003
Energy: 1.6503159086604557
Energy: 1.8576514998993037
Energy: 1.6776988488322069
Energy: 1.6532082145645204
Energy: 1.7027156957998966
Energy: 1.654004189697178
Energy: 1.6541124429049041
Energy: 1.654167867759095
Energy: 1.6807969044202895
Energy: 1.666258497954131
Energy: 1.7156173251180333
Energy: 1.6851320244855559
Energy: 1.716789477835289
Energy: 1.6250808234510292
Energy: 1.641169158732668
Energy: 1.7419972544967022
Energy: 1.745237051290775
Energy: 1.6557880792472863
Energy: 1.6786478890480667
Energy: 1.6923330959198306
Energy: 1.7460710303376694
Energy: 1.698417447614272
Energy: 1.6410140708350414
Energy: 1.9399838583957376
Energy: 1.6801879435977254
Energy: 1.939376399537003
Energy: 1.745077879192538
Energy: 1.624472119544821
Energy: 1.625469248453141
Energy: 1.7168391854224683
Energy: 1.6471587610602607
Energy: 1.7170049522998205
Energy: 1.6806432115877896
Energy: 1.692884036932169
Energy: 1.8507809999653144
Energy: 1.624909269392195
Energy: 1.6580165178588882
Energy: 1.6258597852277774
Energy: 1.6404227535740774
Energy: 1.6923474178511766
Energy: 1.640428299711985
Energy: 1.8834711851343497
Energy: 1.8830572501509568
Energy: 1.8136349089861343
Energy: 1.6978827016457099
Energy: 1.6464972012567303
Energy: 1.640391752592916
Energy: 1.6801216219157464
Energy: 1.6611991837971756
Energy: 1.640628606267123
Energy: 1.643265829515976
Energy: 1.6624921943578737
Energy: 1.7239940820213733
Energy: 1.653843591542645
Energy: 1.6507655014988776
Energy: 1.7247955060737927
Energy: 1.68056500472087
Energy: 1.6666759593314189
Energy: 1.7319982528332283
Energy: 1.635884471986004
Energy: 1.6356502646942193
Energy: 1.635185996017245
Energy: 1.711999648885124
Energy: 1.664748627703805
Energy: 1.6527589883627618
Energy: 1.681518423044144
Energy: 1.6820185813889135
Energy: 1.682031951885621
Energy: 1.6931705391266147
Energy: 1.6645174248494548
Energy: 1.6711445972615524
Energy: 1.652113455289271
Energy: 1.6717897041249299
Energy: 1.6714737605568561
Energy: 1.671742826696834
Energy: 1.6649066264709136
Energy: 1.648333522474022
Energy: 1.709441852989759
Energy: 1.6690495448733016
Energy: 1.6487872349611117
Energy: 1.6477724071091102
Energy: 1.6643788614370048
Energy: 1.7150745653812514
Energy: 1.8336755005136816
Energy: 1.8348738100052129
Energy: 1.8335605015077012
Energy: 1.6706415463889754
Energy: 1.6644666034736029
Energy: 1.6654923031453521
Energy: 1.6659996525346181
Energy: 1.6669901103162053
Energy: 1.6658789634526785
Energy: 1.7158008632567276
Energy: 1.653227477811271
Energy: 1.6666038959237848
Energy: 1.7280861347246839
Energy: 1.6632741999988048
Energy: 1.7282403691104538
Energy: 1.8330181428970171
Energy: 1.6611514353667065
Energy: 1.664835479373786
Energy: 1.8682004659157738
Energy: 1.6522796545734655
Energy: 1.6650343166638726
Energy: 1.7542681335096193
Energy: 1.7546035602991166
Energy: 1.8116961398119067
Energy: 1.7629615269926486
Energy: 1.6501750161570377
Energy: 1.707742919595162
Energy: 1.811412025712233
Energy: 1.6877474089318847
Energy: 1.6437562917506516
Energy: 1.768583472520443
Energy: 1.7237801601357694
Energy: 1.6956269936031985
Energy: 1.7782558119488276

minimum gb energy = 1.624472119544821 eV
minimum distance =  2.18740480060012 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.450614327062252
Energy: 1.6719115533427025
Energy: 1.6707209332024995
Energy: 1.6716468017857697
Energy: 1.6710847333968544
Energy: 1.9433053425637234
Energy: 1.606450402232449
Energy: 1.6137382395723487
Energy: 1.6149365409404426
Energy: 1.6065428187292274
Energy: 1.6950075479172568
Energy: 1.6143982444631342
Energy: 1.6063984393739752
Energy: 1.6139141161933168
Energy: 1.9440576744272833
Energy: 1.9437504354671191
Energy: 1.614385599150258
Energy: 1.6137934513120658
Energy: 1.6132576675401935
Energy: 1.6949236834393022
Energy: 1.6954679831640398
Energy: 1.6139842536946158
Energy: 1.6955723120155755
Energy: 1.6154700396666002
Energy: 1.6257418559443921
Energy: 1.6948273071114237
Energy: 1.599729286809807
Energy: 1.6138083901698863
Energy: 1.5995987179743707
Energy: 1.7005524630650335
Energy: 1.587477939572607
Energy: 1.647624323565912
Energy: 1.601222475104784
Energy: 1.6064088085357364
Energy: 1.6777372143228362
Energy: 1.5874159309858682
Energy: 1.586778953811411
Energy: 1.57756018741763
Energy: 1.648400640770763
Energy: 1.6468357346662408
Energy: 1.6004463963526168
Energy: 1.576740986540515
Energy: 1.5876207747281426
Energy: 1.5799540889530712
Energy: 1.7010077592478792
Energy: 1.5874242582160767
Energy: 1.650733367441243
Energy: 1.5770605587713042
Energy: 1.5868202670514053
Energy: 1.5777306877024646
Energy: 1.6469010897079932
Energy: 1.6470808376960007
Energy: 1.5780016237421615
Energy: 1.578140975579168
Energy: 1.58707788657348
Energy: 1.6005453573175106
Energy: 1.6470280038019434
Energy: 1.6065633414269083
Energy: 1.6485689408844868
Energy: 1.6321587447246846
Energy: 1.607135338194765
Energy: 1.5995679973349741
Energy: 1.5992759368591483
Energy: 1.5987987877140093
Energy: 1.5992296694467356
Energy: 1.6948634168706664
Energy: 1.6064845980848121
Energy: 1.8256048894863524
Energy: 1.5995432635097235
Energy: 1.6066310028861015
Energy: 1.6961422244228541
Energy: 1.8253247948154094
Energy: 1.6073807294020082
Energy: 1.614531733937645
Energy: 1.619349783586695
Energy: 1.8226435105666046
Energy: 1.6162061382957216
Energy: 1.6144706703488947
Energy: 1.6065689069002744
Energy: 1.6142327032325723
Energy: 1.7125239254996736
Energy: 1.6099716436592317
Energy: 1.6963306010715304
Energy: 1.6801429624616477
Energy: 1.585315969993071
Energy: 1.6007499608437363
Energy: 1.6722219466590937
Energy: 1.6712934115276188
Energy: 1.6715508912410586
Energy: 1.693200437811771
Energy: 1.638621637108628
Energy: 1.8463427300413047
Energy: 1.670818579977759
Energy: 1.739008580838264
Energy: 1.6149221842746044
Energy: 1.6141870099674849
Energy: 1.6077893655439104
Energy: 1.6731679256009044
Energy: 1.5615013446704997
Energy: 1.943926678214545
Energy: 1.6803139788457229
Energy: 1.6725943373303709
Energy: 1.6070480815837194
Energy: 1.61548753692623
Energy: 1.6141097710834011
Energy: 1.6942175035620235
Energy: 1.6949179640064649
Energy: 1.6069987331269293
Energy: 1.5805730430263731
Energy: 1.6792251609846387
Energy: 1.6809747897252354
Energy: 1.6069763584743382
Energy: 1.679052107239963
Energy: 1.9436268713471903
Energy: 1.5800631360553994
Energy: 1.695099932856302
Energy: 1.6156469859340215
Energy: 1.6129686487606676
Energy: 1.6153624033136293
Energy: 1.6963070554454724
Energy: 1.6061407156546523
Energy: 1.6002688304504686
Energy: 1.8253575136345621
Energy: 1.7004700525896639
Energy: 1.6957761782965461
Energy: 1.5986962976984944
Energy: 1.6063616617217658
Energy: 1.6008724434827206
Energy: 1.7084853270301035
Energy: 1.6132199339751425
Energy: 1.599446947319008
Energy: 1.599003702112137
Energy: 1.6059799096563534
Energy: 1.6479582164262412
Energy: 1.5776864298523008
Energy: 1.588634243866452
Energy: 1.6004723183848613
Energy: 1.6466106024684997
Energy: 1.5859565152465722
Energy: 1.5779500913786082
Energy: 1.5773771776140662
Energy: 1.5777851796874207
Energy: 1.5786442618145635
Energy: 1.7048759269981506
Energy: 1.606050379992514
Energy: 1.5778435020829298
Energy: 1.5779331006017445
Energy: 1.5772201539334523
Energy: 1.5778017263828332
Energy: 1.5791211102154374
Energy: 1.6061341679157048
Energy: 1.6470665533832083
Energy: 1.642027904684146
Energy: 1.5890501022812111
Energy: 1.6005605888619108
Energy: 1.647079647188265
Energy: 1.6061313078735928
Energy: 1.5991950155353365
Energy: 1.6005979934828765
Energy: 1.612897415888871
Energy: 1.5994793390898636
Energy: 1.6009242783269757
Energy: 1.6065313994039208
Energy: 1.5998293254893332
Energy: 1.8250852717468118
Energy: 1.677814122347919
Energy: 1.8252296896637568
Energy: 1.5987488905309164
Energy: 1.610223823706262
Energy: 1.6949504001805435
Energy: 1.614994613709786
Energy: 1.6145174706038223
Energy: 1.6152643334724393
Energy: 1.6955607985039542
Energy: 1.6045600958537887
Energy: 1.6187059645437918
Energy: 1.6819024595946628
Energy: 1.6140689832717818
Energy: 1.6790044590949575
Energy: 1.6949636800182826
Energy: 1.6706936523127092
Energy: 1.6716583508181717
Energy: 1.6952711752507428
Energy: 1.6882109872857736
Energy: 1.5991130119521553
Energy: 1.6723040312556843
Energy: 1.670779203771934
Energy: 1.7388487401384902
Energy: 1.695286677383726
Energy: 1.638752637844481
Energy: 1.6134693379280958
Energy: 1.73987414818812
Energy: 1.5792425494420264
Energy: 1.6007662434494625
Energy: 1.673136866371366
Energy: 1.6069297913574072
Energy: 1.681119600628184
Energy: 1.7008168523950757

minimum gb energy = 1.5615013446704997 eV
minimum distance =  2.20957200070136 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015582658487321899
Energy: 0.12591416829200985
Energy: 0.12397837559260151
Energy: 0.12242191863805198
Energy: 0.12245573061201742
Energy: 0.016139694684612585
Energy: 0.10413545475030529
Energy: 0.10453087098508886
Energy: 0.10431105217730126
Energy: 0.1048475194672109
Energy: 0.5312571723850176
Energy: 0.10429746380728096
Energy: 2.6043085685343392
Energy: 0.1220327210770762
Energy: 0.016431070112247953
Energy: 0.017666915374611823
Energy: 0.12300661204308636
Energy: 0.12200640004503614
Energy: 0.015876072932391863
Energy: 0.10453087098368136
Energy: 0.10431105217802511
Energy: 0.1048475194672109
Energy: 0.5312571723850176
Energy: 0.10429746380800482

minimum gb energy = 0.015582658487321899 eV
minimum distance =  2.42417003148898 Angstroms
sigma value = 1