Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.900060612226219e-20, 1.9755158332546798e-19, 2.81648232667494e-19, 3.3075334432296e-19, 3.61697783832036e-19, 3.8538916971899394e-19, 4.0597553728925996e-19, 4.2372765439397995e-19, 4.388778366450839e-19, 4.517208845432279e-19, 4.62631707420768e-19, 4.72204712808918e-19, 4.806321619037579e-19, 4.87920463411824e-19, 4.941000586891619e-19, 4.99220615211426e-19, 5.0339428534299595e-19, 5.067284149183499e-19, 5.09314328005626e-19, 5.11243348672962e-19, 5.12645253227712e-19, 5.13596946148308e-19, 5.141448905571359e-19, 5.14321129986876e-19, 5.1413047096743e-19, 5.13504019903536e-19, 5.123424418438859e-19, 5.10538390954002e-19, 5.07885186448098e-19, 5.0092853550327e-19, 4.81194525902292e-19, 4.36404075922188e-19, 3.4933859327736e-19, 1.9428794952200999e-19, -6.95730783724794e-20, -5.08510035335358e-19, -1.2321779730272098e-18, -1.66527034984692e-18, -1.69127367661674e-18, -1.7257845613130999e-18, -1.77098196415824e-18, -1.8289647365427e-18, -1.90341788472468e-18, -1.9992921345032398e-18, -2.1247105214127597e-18, -2.2936600474680597e-18, -2.5266165300516598e-18, -2.8571455696458597e-18, -3.3338572053262196e-18, -4.03038747519138e-18, -5.0722829402815795e-18, -6.6741711824874596e-18, -9.263144427134399e-18, -1.382215406094774e-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: 0.143095413925774 eV

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

Energy: 0.011940947808375974
Energy: 23.451255223169053
Energy: 0.16905183606429774
Energy: 0.3000720289014162
Energy: 0.2981530371376461
Energy: 0.12394498079000225
Energy: 0.01320141698630542
Energy: 22.10783288671195
Energy: 24.6391236737766
Energy: 0.08973383738941766
Energy: 42.903589878618575
Energy: 26.92662444533824
Energy: 0.012664674894054996
Energy: 19.50496684028264
Energy: 0.012288368634559788
Energy: 24.587009459544113
Energy: 43.68757119942706
Energy: 40.270351716844836
Energy: 26.423502165627372
Energy: 26.195837460744546
Energy: 20.98231085592815
Energy: 0.013438335211489008
Energy: 23.629949440565237
Energy: 36.647359674977096
Energy: 0.3004676307863884
Energy: 0.2981991321877438
Energy: 0.05414202741676452
Energy: 0.012660008554425497
Energy: 22.56282159208681
Energy: 24.932770666275296
Energy: 0.08964117013941021
Energy: 43.196263139955626
Energy: 26.764122787256927
Energy: 0.014991647871519407
Energy: 18.478827438193637
Energy: 0.012276462781860667
Energy: 24.88417099475335
Energy: 43.88294686118151
Energy: 37.5159530007421
Energy: 25.395848680489696
Energy: 27.527710304437665
Energy: 22.734918482668284

minimum gb energy = 0.011940947808375974 eV
minimum distance =  1.15806622211652 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 7.508055639505373
Energy: 13.701317088101936
Energy: 8.887334595090763
Energy: 9.930563724296405
Energy: 9.517838054015169
Energy: 7.077605542062016
Energy: 10.95376622048598
Energy: 17.116351586712998
Energy: 0.4700417671068758
Energy: 15.514012760067326
Energy: 16.881520104756582
Energy: 15.851923132485025
Energy: 15.379547547535923
Energy: 0.47141839516277667
Energy: 9.948698438256862
Energy: 0.4815037619641343
Energy: 11.586684702743053
Energy: 10.119874682421752
Energy: 11.087586165950578
Energy: 11.673898498111162
Energy: 0.4795858878769836
Energy: 15.978874152673859
Energy: 10.456430118171301
Energy: 10.517706075329565
Energy: 10.617843362804246
Energy: 12.966213070402256
Energy: 12.291178175813057
Energy: 11.306214891158408
Energy: 0.46370587089861875
Energy: 13.305610813830526
Energy: 6.795028013762081
Energy: 8.532424917788983
Energy: 0.48208337452700223
Energy: 0.46286780207893374
Energy: 13.917247777190255
Energy: 17.58051115057129
Energy: 12.920990398806483
Energy: 11.76089964429924
Energy: 11.286470291938834
Energy: 14.051982530917977
Energy: 13.463034054276362
Energy: 14.155281497486083
Energy: 0.48924439235408235
Energy: 9.9541118874272
Energy: 9.265488766202788
Energy: 10.041785594227123
Energy: 10.151624294692578
Energy: 8.765082926619897
Energy: 11.42709365382861
Energy: 8.466467869936043
Energy: 0.49262418530663177
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Energy: 12.471679607742688
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Energy: 0.4845089466536575
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Energy: 15.047077848497722
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Energy: 0.4724926971054474
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Energy: 0.4654763072540555
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Energy: 0.49462703772398103
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Energy: 0.4916109356594562
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Energy: 16.716351032951618
Energy: 16.481437248925385
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Energy: 9.53345969450144
Energy: 0.503774975219234
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Energy: 10.699406237438977
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Energy: 10.592983351370329
Energy: 0.48708692940885884
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Energy: 12.359293642310595
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Energy: 15.84655708475011
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Energy: 7.70645145178241
Energy: 7.809179304378163
Energy: 8.603580988409506
Energy: 0.46208653543722855
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Energy: 0.46874516231536506
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Energy: 0.4701780478779668
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Energy: 10.161197367740362
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Energy: 0.4583991046692722
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Energy: 0.46655835995164757
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Energy: 0.4663753010766041
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Energy: 0.45775673769207015
Energy: 7.054423538862734
Energy: 8.355932416527116
Energy: 10.859445904097353
Energy: 9.776805504483242
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Energy: 16.43479715828762
Energy: 0.48629659662596103
Energy: 13.711661361691746
Energy: 10.42887169250733
Energy: 13.602697561771219
Energy: 15.926889547822697
Energy: 14.081345544541346
Energy: 0.4643552295374582
Energy: 11.692068023843307
Energy: 7.444627622518086
Energy: 0.48273299937552794
Energy: 0.48280838677021154
Energy: 7.059948725475939
Energy: 0.47961297754605453
Energy: 17.171505269638615
Energy: 9.021214272292582
Energy: 16.701817483897855
Energy: 12.833103608705189
Energy: 15.688824745562986
Energy: 18.219538590854423
Energy: 11.047860134916572
Energy: 12.735749094831966
Energy: 7.286147054857285
Energy: 11.93722825501085
Energy: 13.970712711084404
Energy: 14.385500130918688
Energy: 0.5197622573155646
Energy: 7.5626253614524845
Energy: 7.637310586507209
Energy: 0.4390340960007375
Energy: 14.158535310671414
Energy: 10.550089052541678
Energy: 0.46662534610771766
Energy: 0.4522479991695626
Energy: 0.44329861879714205
Energy: 7.9220129282218235
Energy: 14.778583401920336
Energy: 10.049442236096096
Energy: 9.798943690357635
Energy: 10.232288246401641
Energy: 7.835470726484407
Energy: 10.444277641833857

minimum gb energy = 0.4390340960007375 eV
minimum distance =  1.17905311341227 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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Energy: 6.41429196778139
Energy: 0.45757919719092954
Energy: 9.429542372913813
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Energy: 9.040676166892574
Energy: 15.27948379388362
Energy: 5.773363004519624
Energy: 0.4825602794684464
Energy: 11.818693525065207
Energy: 9.023510598393099
Energy: 5.4520084769019554
Energy: 6.517832494955419
Energy: 0.512651094843
Energy: 0.48684772768797624
Energy: 5.0706946952338905
Energy: 16.391730350459653
Energy: 0.4439416012678323
Energy: 14.29714329799779
Energy: 16.26478895199359
Energy: 5.049182756873584
Energy: 0.4660349786245752
Energy: 0.4634037900073274
Energy: 0.44689049780717044
Energy: 10.512087073737645
Energy: 8.969374041097153
Energy: 0.46562242409125787
Energy: 0.4757450515095727
Energy: 0.44615098168325196
Energy: 0.45770736849451
Energy: 13.505066606336237
Energy: 16.52823795493973
Energy: 13.919034855076577
Energy: 15.757423853486406
Energy: 0.4635895929412956
Energy: 0.45087872420204833
Energy: 0.4557786687123078
Energy: 10.8409248656976
Energy: 0.4482725871634266
Energy: 10.281082925196811
Energy: 10.950189977303712
Energy: 0.45900408493730027
Energy: 0.45391032265012576
Energy: 0.46201206293728614
Energy: 0.4500424638435626
Energy: 10.1225643966724
Energy: 14.211510061455604
Energy: 9.43693408812737
Energy: 0.4961746849087369
Energy: 0.542235656723063
Energy: 0.467649519587752
Energy: 13.713931108250266
Energy: 0.48529709494746504
Energy: 0.4600325238846597
Energy: 13.274055527050342
Energy: 9.737453577749957
Energy: 17.023560121007886
Energy: 0.453947701477251
Energy: 0.46486658387098945
Energy: 9.559697976029598
Energy: 7.392304774854539
Energy: 8.45898225128026
Energy: 0.5029826936548656
Energy: 0.45814969347506285
Energy: 17.65335960203965
Energy: 7.989633374507136
Energy: 0.45373149340610264
Energy: 0.4416719056253111
Energy: 8.945475591033107
Energy: 14.952250601855338
Energy: 0.4641502462195832
Energy: 0.48620638849595
Energy: 13.471894832862368
Energy: 0.4501987583624313
Energy: 0.4392190301912802
Energy: 0.45313354286363944
Energy: 0.4984282878683434
Energy: 5.300268731215468
Energy: 0.48764168955395515
Energy: 12.45462490761149
Energy: 0.4943593325176581
Energy: 0.46046876116487434
Energy: 0.490733657307386
Energy: 0.48714341741618294
Energy: 0.46217163720995225
Energy: 5.354414398560907
Energy: 15.245904110054783
Energy: 12.94470244556822
Energy: 0.4506320782460721
Energy: 14.186770252014664
Energy: 5.189302221295069
Energy: 0.4703464510288309
Energy: 0.45904568006952734
Energy: 0.44917483135091
Energy: 10.172172849653714
Energy: 9.017959199952879
Energy: 9.282394194093905
Energy: 0.4732967166530012
Energy: 0.4482829812678361
Energy: 5.330628677754056
Energy: 13.68244077595865
Energy: 14.996552421572762
Energy: 19.87959674999304
Energy: 0.4664448517491076
Energy: 5.59468202505691

minimum gb energy = 0.4392190301912802 eV
minimum distance =  1.24655743662114 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.45242197152546676
Energy: 14.660380817968335
Energy: 0.4606621601564459
Energy: 11.567976087535273
Energy: 0.4464448012208173
Energy: 0.45641782480649584
Energy: 11.0966451803136
Energy: 20.797324560288292
Energy: 10.26706752009344
Energy: 18.505064240495233
Energy: 0.4536390619887983
Energy: 0.4519067684230812
Energy: 0.4572252228140836
Energy: 11.7636914346325
Energy: 17.64676762767047
Energy: 0.4639053918941536
Energy: 14.883205211721023
Energy: 0.45381649440506877
Energy: 0.4743148793727136
Energy: 14.614583442867659
Energy: 0.4367168043673634
Energy: 0.4387603322221296
Energy: 12.889431537410097
Energy: 0.4272420909327143
Energy: 11.962550156469847
Energy: 14.24760370843689
Energy: 0.4507422249330455
Energy: 13.825729540232084
Energy: 14.749483421564857
Energy: 13.579908610096378
Energy: 11.709288059038684
Energy: 0.44742720798548496
Energy: 0.45985861514991827
Energy: 12.48255133184957
Energy: 12.102252617354829
Energy: 14.808078520642862
Energy: 13.052374020577385
Energy: 13.675988575041584
Energy: 16.548271599759083
Energy: 18.080205084576463
Energy: 11.847284501857215
Energy: 13.609954458600297
Energy: 0.4557947636293343
Energy: 13.190622264889877
Energy: 0.4755054760662769
Energy: 11.30569052264496
Energy: 11.741338646460601
Energy: 0.44091691227218777
Energy: 11.180877495898212
Energy: 17.69654365709051
Energy: 10.364795158997575
Energy: 16.71134547882034
Energy: 0.4611936825423973
Energy: 0.4632781417437834
Energy: 0.4798431593384806
Energy: 10.20205838524068
Energy: 9.885936963160468
Energy: 9.22022645591285
Energy: 16.44753681071513
Energy: 11.684737328762882
Energy: 10.60422888035025
Energy: 14.658414124902343
Energy: 9.319995019371976
Energy: 10.499413180784298
Energy: 0.4414619185181712
Energy: 8.423796158188804
Energy: 15.91481207286219
Energy: 15.122092692296643
Energy: 0.43549354138215
Energy: 11.391343356272529
Energy: 12.769454607772701
Energy: 14.818725504962927
Energy: 12.824595607812862
Energy: 0.45114548524951503
Energy: 0.46385128651854635
Energy: 13.224108771811304
Energy: 13.718509702813485
Energy: 13.990095139493077
Energy: 0.4532535616355508
Energy: 12.16503456453141
Energy: 16.90290504596013
Energy: 15.671953343220235
Energy: 13.010539887955362
Energy: 15.290920340599035
Energy: 0.455329111693293
Energy: 13.484599569733147
Energy: 0.46163035159344795
Energy: 11.73028959030819
Energy: 11.877579843153296
Energy: 0.45240314810942656
Energy: 12.583010334575214
Energy: 18.090743378972448
Energy: 9.863227891008338
Energy: 16.00016660418862
Energy: 0.4766686378202544
Energy: 0.4934846947906137
Energy: 16.405268988334786
Energy: 10.293277742531366
Energy: 0.4426972294509943
Energy: 9.059427761508083
Energy: 0.4557608319281386
Energy: 12.565869538091848
Energy: 12.2856915391677
Energy: 13.946607003616414
Energy: 13.275502603818417
Energy: 9.574541881893365
Energy: 0.46474035726393437
Energy: 10.157389301802839
Energy: 16.58458772573236
Energy: 15.989018553790554
Energy: 15.132937825396464
Energy: 13.198769824542897
Energy: 13.600225676268305
Energy: 14.82903617968191
Energy: 13.174477547180276
Energy: 0.4462499338510194
Energy: 0.44962596862493864
Energy: 0.45122454690165653
Energy: 12.212615965419127
Energy: 16.878814996355423
Energy: 10.468212434716818
Energy: 19.410240751530907
Energy: 16.52859165211111
Energy: 15.958097100044823
Energy: 18.06971516615888
Energy: 10.746116730001718
Energy: 0.4436425812731937
Energy: 13.941045962614751
Energy: 8.819295145521247
Energy: 12.60385822183837
Energy: 12.775049504356048
Energy: 0.44290185578068614
Energy: 9.651128297995793
Energy: 17.405109021353983
Energy: 8.959302100069744
Energy: 16.19740533158914
Energy: 0.47691428103839745
Energy: 0.47026577669983655
Energy: 0.46887558188295103
Energy: 7.9220608514600075
Energy: 8.246851691586336
Energy: 0.4476106899054554
Energy: 0.44020734377370685
Energy: 13.492724675146459
Energy: 15.2052440148396
Energy: 7.587791691535728
Energy: 0.45371232048559396
Energy: 9.217237681905159
Energy: 0.4421350481468417
Energy: 14.405131085364529
Energy: 14.190064568284907
Energy: 17.514709371328802
Energy: 15.530888006127018
Energy: 0.45821413353102
Energy: 14.308843203491474
Energy: 13.422753680765721
Energy: 12.769281454260815
Energy: 0.5121082588971761
Energy: 0.4604311505430901
Energy: 11.733767208981421
Energy: 12.473802565700963
Energy: 11.523570842225741
Energy: 0.47078956320479304
Energy: 17.2527742078711
Energy: 14.737073713757828
Energy: 16.29261765028124
Energy: 17.63762952805535
Energy: 14.408900159352358
Energy: 8.866772419285656
Energy: 0.4437642884643476
Energy: 8.518488450048888
Energy: 13.34111737900459
Energy: 12.938231589493606
Energy: 0.46273506169452655
Energy: 12.765979790886368
Energy: 15.442234340739235
Energy: 10.039476330487812
Energy: 15.178611102199136
Energy: 0.4769646505558755
Energy: 0.48306447614839615
Energy: 0.46716710025641484
Energy: 9.74174648311588
Energy: 6.3522400279366815
Energy: 0.46487512756971483
Energy: 7.887378998040364
Energy: 16.04013454155686
Energy: 13.64963775177106
Energy: 9.547356397228052
Energy: 11.943525155623378
Energy: 10.155958387292875
Energy: 0.46727991033625244
Energy: 11.19097422905151
Energy: 17.29216345960275
Energy: 16.422297126490342
Energy: 14.140982952611585
Energy: 0.45051629100264606
Energy: 12.377043083004864
Energy: 14.232790734381062
Energy: 12.237246225389082
Energy: 0.49906181044598374
Energy: 0.4583206078140687
Energy: 14.420051503386905
Energy: 13.838536417413811
Energy: 12.356385809606296
Energy: 0.4502118456332861
Energy: 8.75878842026282
Energy: 12.867117405000114
Energy: 14.695138288672593
Energy: 9.19680965597148
Energy: 0.4713434592927942
Energy: 12.29887956506366
Energy: 0.43810909400340037
Energy: 14.947307833359588
Energy: 12.304100463907357
Energy: 14.185333150863531
Energy: 15.768626259768899
Energy: 0.45923329743915203
Energy: 16.344194399091187
Energy: 9.058627860304385
Energy: 15.059365008073947
Energy: 0.4855182378487208
Energy: 0.45857511175872023
Energy: 0.45482403782787933
Energy: 10.365970157144584
Energy: 8.298681394423737
Energy: 0.46475789544072527
Energy: 9.896724669054228
Energy: 13.15481148291604
Energy: 14.83409582030512
Energy: 9.196837280665987
Energy: 11.984724358242396
Energy: 11.314864380637944
Energy: 0.45801177299187984
Energy: 9.502968885118566
Energy: 17.200531853521
Energy: 16.30592930005007
Energy: 11.096024014490334
Energy: 13.19051699282112
Energy: 14.21308746152229
Energy: 15.027244953617682
Energy: 13.63798464870795
Energy: 0.4622680112124901
Energy: 0.4460252598403499
Energy: 13.403786870517287
Energy: 12.125326541805435
Energy: 0.4524704775983626
Energy: 14.636422179570818
Energy: 0.4622431647090212
Energy: 13.145370077698491
Energy: 13.510225198686726
Energy: 0.44175149957705745
Energy: 11.457858908750495

minimum gb energy = 0.4272420909327143 eV
minimum distance =  1.28172635292148 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.41781032775204996
Energy: 14.572914757386176
Energy: 0.4521260522927359
Energy: 0.48815960702232886
Energy: 0.491292928127383
Energy: 0.4693597934565069
Energy: 0.4000060334063497
Energy: 25.400782753565096
Energy: 14.23080493519204
Energy: 16.480160301854177
Energy: 0.4420731756932656
Energy: 13.248259145049307
Energy: 13.75116429382643
Energy: 0.43741487906479265
Energy: 32.31444974063461
Energy: 0.4170009930529726
Energy: 0.4569018684487912
Energy: 0.43795585110266366
Energy: 0.4241689917909554
Energy: 0.4322954972650062
Energy: 0.4380174930653896
Energy: 0.43492942321121014
Energy: 0.42198638660575466
Energy: 0.42769317469050916
Energy: 0.42680631536108227
Energy: 0.4424504709078594
Energy: 0.433172271261577
Energy: 0.4667641552871525
Energy: 11.472533845812915
Energy: 0.4238868424850651
Energy: 0.45862717375684897
Energy: 0.439345091894457
Energy: 13.34063718786833
Energy: 15.206468040206914
Energy: 0.4413690902822064
Energy: 0.40091970968752677
Energy: 0.42588829862999344
Energy: 12.584882021727607
Energy: 19.195191429474978
Energy: 19.968892579225024
Energy: 20.195683436166767
Energy: 0.43367478167415646
Energy: 0.4457909561340171
Energy: 0.4423985845332636
Energy: 0.4300985997089459
Energy: 0.43704485540093124
Energy: 0.4038574408667895
Energy: 0.4015663086791364
Energy: 0.43776006950837415
Energy: 0.4005225304097263
Energy: 14.712490779314464
Energy: 18.469439974595698
Energy: 20.72970318590087
Energy: 11.540945690597905
Energy: 13.366701414102755
Energy: 13.817148307481151
Energy: 0.40063414678949083
Energy: 14.176634446956605
Energy: 17.94823680933213
Energy: 20.13594503713781
Energy: 14.513427525353054
Energy: 0.4403382752224967
Energy: 13.61261312932428
Energy: 0.44546416398826766
Energy: 0.44111629231723737
Energy: 0.4681728248333273
Energy: 0.44513477888133846
Energy: 0.4455580758098476
Energy: 0.43288214952847753
Energy: 0.4319978695058257
Energy: 0.4409527329795459
Energy: 0.4225785634634621
Energy: 13.749169065950321
Energy: 11.394396944139228
Energy: 12.199950477529573
Energy: 13.01008845033625
Energy: 0.46781897895858426
Energy: 17.049738943374074
Energy: 0.4250662599187484
Energy: 19.01693754981654
Energy: 13.724710999209831
Energy: 13.305920432797583
Energy: 15.004196430440366
Energy: 0.44375901887687
Energy: 0.40054038525466845
Energy: 0.42386399171967565
Energy: 0.437657554940328
Energy: 0.4325010362778859
Energy: 0.47355894758707984
Energy: 0.43609663494638523
Energy: 0.4373245345231672
Energy: 9.634221277260659
Energy: 0.41773823853165304
Energy: 0.438579150574521
Energy: 0.4407487002432185
Energy: 0.40077106416347447
Energy: 0.401451302118179
Energy: 0.43775630850228
Energy: 17.336331236127265
Energy: 14.254353713917528
Energy: 17.61002764640062
Energy: 0.43958326360132405
Energy: 10.383318329817415
Energy: 11.25749695578526
Energy: 0.4379044376509378
Energy: 0.4179266552095585
Energy: 14.544326432362366
Energy: 0.4561574571746086
Energy: 0.4388997536977954
Energy: 0.49090946466034413
Energy: 0.4696414166963703
Energy: 0.39998535077341996
Energy: 25.47857154892598
Energy: 0.4563077414910972
Energy: 16.24938077928439
Energy: 0.4420089127886929
Energy: 0.4263918997303663
Energy: 0.4326351936562058
Energy: 0.43741892588189807
Energy: 32.402890436673424
Energy: 0.41784240985662296
Energy: 0.45700718957778974
Energy: 0.43813826806582723
Energy: 0.424038977234791
Energy: 0.4323778594343412
Energy: 0.4385630541651998
Energy: 0.43467875730773287
Energy: 0.42214679995600973
Energy: 0.427557115016236
Energy: 0.42710339830275873
Energy: 0.44246882757248274
Energy: 0.43313455616664853
Energy: 0.5123215377148743
Energy: 11.393427350665515
Energy: 0.4236533396574383
Energy: 0.45819816888569637
Energy: 0.4396660966082814
Energy: 13.27357437132864
Energy: 15.255271390253132
Energy: 0.4322300565124306
Energy: 0.40091991726774845
Energy: 0.42498014704023224
Energy: 12.476991976404587
Energy: 19.186843397094734
Energy: 19.71363464856369
Energy: 12.240631442377332
Energy: 0.44426247278099557
Energy: 0.4457037260960862
Energy: 0.4423966843884396
Energy: 0.4300874631204141
Energy: 0.4368830556682685
Energy: 0.40434919489457644
Energy: 0.40174916919231685
Energy: 0.4378675154025982
Energy: 0.4035425703928291
Energy: 14.65829721071424
Energy: 18.197437106465248
Energy: 20.556409777241296
Energy: 0.484416876461093
Energy: 13.216149917166897
Energy: 13.767149446165785
Energy: 0.40063054811074633
Energy: 14.196454241751697
Energy: 18.103400447112772
Energy: 20.30292129722577
Energy: 14.53723096899143
Energy: 0.4357177281342183
Energy: 13.666945510572694
Energy: 0.4461761493677245
Energy: 0.4503205747938207
Energy: 0.4676721416851855
Energy: 0.43672355708630983
Energy: 0.42496801743886253
Energy: 0.43310115708875135
Energy: 0.4322581490397427
Energy: 0.44055281078419867
Energy: 0.42275278433760166
Energy: 14.072547837683258
Energy: 11.34089722177086
Energy: 12.271314177906183
Energy: 0.4330825188155873
Energy: 0.4673118797284882
Energy: 0.44347532955858304
Energy: 0.42550851519419514
Energy: 19.211440113650653
Energy: 13.888412871597883
Energy: 13.424121887672124
Energy: 14.892163574536077
Energy: 0.4436808926684654
Energy: 0.40093805030155005
Energy: 0.4235819938263569
Energy: 0.43766680972396405
Energy: 0.4325225913189018
Energy: 0.4730371808436881
Energy: 0.4363702891131101
Energy: 0.43640301057021275
Energy: 9.526764471466956
Energy: 0.41785441049738087
Energy: 0.4381470406903242
Energy: 0.4405804440896539
Energy: 0.40071210182197914
Energy: 0.4023018337168065
Energy: 0.43781384997284645
Energy: 17.18935781452356
Energy: 14.308951667017665
Energy: 17.863488687720704
Energy: 21.82628377023553
Energy: 10.563904186771934
Energy: 11.554487194748843
Energy: 0.43774320011559653

minimum gb energy = 0.39998535077341996 eV
minimum distance =  2.63857149240801 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 13.574034131286833
Energy: 15.188702709589524
Energy: 0.45093706775477393
Energy: 11.999266113242596
Energy: 0.41893787989989095
Energy: 0.41635773024042066
Energy: 0.525654210704109
Energy: 9.389161282181506
Energy: 17.280442754705486
Energy: 18.741601303358895
Energy: 13.654845248492414
Energy: 15.597244615412826
Energy: 18.81305269903216
Energy: 15.71105364045266
Energy: 0.4178299633279507
Energy: 16.27634831585171
Energy: 10.489171168264972
Energy: 8.057665907785267
Energy: 13.273026051033542
Energy: 14.292548140968364
Energy: 13.74661857720539
Energy: 23.466857185139496
Energy: 0.4366747758122812
Energy: 0.4353607825905794
Energy: 11.339803441884076
Energy: 8.350872920079878
Energy: 0.4230865449042904
Energy: 0.4384305559621337
Energy: 11.271351295412366
Energy: 0.41349405739067857
Energy: 18.739861930106514
Energy: 13.927606287256467
Energy: 19.274166091124606
Energy: 16.894051056730078
Energy: 0.4320061131381144
Energy: 0.40008360227371675
Energy: 8.599650739811157
Energy: 13.778170125066747
Energy: 0.3983614681689392
Energy: 14.796047240403702
Energy: 17.582180626373653
Energy: 8.57799277314021
Energy: 24.621449736472307
Energy: 0.45867467057559047
Energy: 0.4163773941456593
Energy: 12.845552303575106
Energy: 0.4026683793678585
Energy: 0.4040022219318413
Energy: 0.43150250233786114
Energy: 0.4184746533117644
Energy: 12.953157116784874
Energy: 10.63044375274394
Energy: 12.870677504211717
Energy: 9.554491605367948
Energy: 11.118806267098696
Energy: 13.073494685398652
Energy: 0.4158577907111184
Energy: 11.700150561122387
Energy: 19.060474954559353
Energy: 0.43903429776724223
Energy: 18.372140445146535
Energy: 21.72031915563545
Energy: 12.507309693519025
Energy: 16.99233025642634
Energy: 0.4881317422599398
Energy: 0.42329078642832374
Energy: 9.379072962201015
Energy: 0.4189825611086518
Energy: 0.41641655702081115
Energy: 0.46826489207027394
Energy: 9.67276664837828
Energy: 14.842128153107566
Energy: 16.701013565958863
Energy: 19.69997876780373
Energy: 15.787754702455837
Energy: 16.44210281395388
Energy: 14.043502736147895
Energy: 7.965013931122019
Energy: 16.762977096745985
Energy: 13.83146717888318
Energy: 12.237525673563258
Energy: 11.96298331912787
Energy: 13.393827045371054
Energy: 16.213966975611434
Energy: 18.019117326077254
Energy: 15.464971006434972
Energy: 10.187621560059748
Energy: 13.028073582051988
Energy: 11.617346383899582
Energy: 0.42134642294405206
Energy: 0.46628699161408593
Energy: 18.92764755801111
Energy: 16.284884140677192
Energy: 17.703054756640814
Energy: 18.95778538731357
Energy: 9.954826785682812
Energy: 11.23136627556342
Energy: 15.647388429267961
Energy: 0.42698720565371845
Energy: 16.73896547665405
Energy: 0.4303533484568755
Energy: 8.287995897657996
Energy: 10.61965271262989
Energy: 11.101650075156767
Energy: 13.324905630973182
Energy: 27.945726470159393
Energy: 0.43047911325518307
Energy: 9.939145322037906
Energy: 12.778325652855877
Energy: 8.706857394818323
Energy: 9.489928374047516
Energy: 0.5365835050681274
Energy: 15.948283585063347
Energy: 0.46626431918369216
Energy: 9.946005696666937
Energy: 11.422782236238447
Energy: 12.449105990348924
Energy: 8.654406229330997
Energy: 0.4201396326092873
Energy: 0.39939961089276005
Energy: 8.243194900527714
Energy: 17.04989650091598
Energy: 13.492366607006518
Energy: 14.771001696235432
Energy: 17.300946446695743
Energy: 8.336997942373685
Energy: 14.77170316228929
Energy: 0.39782168192106954
Energy: 12.213687099578047
Energy: 13.012712368129323
Energy: 0.40322085655196643
Energy: 0.40552680309420785
Energy: 0.42359969063029856
Energy: 14.303965625232879
Energy: 0.4019050212915376
Energy: 12.01413243888878
Energy: 13.855534984768783
Energy: 0.39000858348788603
Energy: 12.126051206623872
Energy: 0.4100179157028991
Energy: 0.41219912601280634
Energy: 12.439019489704794
Energy: 12.039416887045205
Energy: 10.048876084746356
Energy: 14.040142833719433
Energy: 16.67054132256803
Energy: 12.866850025690107
Energy: 19.12822080440117
Energy: 0.48965699798701917
Energy: 0.42339865773638097
Energy: 9.293629928760819
Energy: 12.979200696317966
Energy: 8.926007029007822
Energy: 0.4286456969244468
Energy: 23.91941185509305
Energy: 0.4179976059567657
Energy: 14.224177383727822
Energy: 12.72279971716642
Energy: 13.342453301827666
Energy: 14.30516499607455
Energy: 0.5561125256374675
Energy: 0.41196535761642933
Energy: 16.707131150228093
Energy: 0.42874731708754055
Energy: 10.252950595271074
Energy: 10.148564148365613
Energy: 10.432528100995473
Energy: 16.03046466205969
Energy: 19.14876031904331
Energy: 16.578008733815828
Energy: 18.454654909802212
Energy: 19.69650010650954
Energy: 13.701467850042073
Energy: 15.028568237495033
Energy: 15.776854354749592

minimum gb energy = 0.39000858348788603 eV
minimum distance =  1.16532519603675 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.45725769031115354
Energy: 16.359857042024846
Energy: 9.525701420977837
Energy: 11.182168324895379
Energy: 10.042666361651369
Energy: 7.235973136139636
Energy: 13.195323722900525
Energy: 16.29019346801103
Energy: 16.90402234681106
Energy: 15.95856579265028
Energy: 14.768252977150789
Energy: 16.8934487209171
Energy: 15.260587458603826
Energy: 16.377405445900756
Energy: 14.673363639253113
Energy: 15.800085478222671
Energy: 8.497946888457873
Energy: 8.528412561055694
Energy: 11.056087362211912
Energy: 10.799183291772517
Energy: 12.859905048910028
Energy: 0.4990613395573499
Energy: 11.63737523657261
Energy: 9.59515221822272
Energy: 11.320245657427
Energy: 9.39374185549644
Energy: 7.086926589772505
Energy: 13.430656214471668
Energy: 0.44023794065193383
Energy: 11.048233175183391
Energy: 16.211026105332728
Energy: 14.77667779152891
Energy: 14.751233228648967
Energy: 15.11669458594212
Energy: 11.851038965746053
Energy: 0.4722341579958429
Energy: 9.297453084919502
Energy: 0.4684316806529195
Energy: 8.382468242215515
Energy: 0.4509954209091395
Energy: 0.476556938085877
Energy: 0.5394293675777665
Energy: 0.46832491200793386
Energy: 10.959120114683145
Energy: 14.90936924674624
Energy: 0.46019168816931705
Energy: 13.195392526605977
Energy: 14.991387967922176
Energy: 10.177779975890159
Energy: 11.33119995322122
Energy: 9.680550077269595
Energy: 12.588891285156954
Energy: 7.288468505524783
Energy: 11.987729469085153
Energy: 14.15021969950193
Energy: 10.31482343622463
Energy: 9.281826673111421
Energy: 0.44648975925354584
Energy: 0.45693351628791085
Energy: 8.49453687785485
Energy: 0.47313135161621844
Energy: 0.4685645837909649
Energy: 0.47692142954528627
Energy: 0.4825479712702611
Energy: 0.44629642753864013
Energy: 13.003542469002968
Energy: 12.921707988215333
Energy: 15.75537659307508
Energy: 15.015685550492012
Energy: 0.49606710286936406
Energy: 12.540994722141907
Energy: 7.257007739965311
Energy: 12.822215847391677
Energy: 12.112680775976665
Energy: 12.49707235220727
Energy: 12.079888769917869
Energy: 7.535477677418586
Energy: 11.254923839751466
Energy: 0.474777612221908
Energy: 0.46739294608830045
Energy: 10.889369708735645
Energy: 8.3695069656071
Energy: 0.4900360426703549
Energy: 0.54278002934567
Energy: 11.43430664587221
Energy: 9.80445633303541
Energy: 7.7106110799859024
Energy: 11.237064832198522
Energy: 10.029713056572287
Energy: 0.45987723410473397
Energy: 0.46847269822398124
Energy: 0.4450630056597046
Energy: 0.49891679347001877
Energy: 15.64985704628164
Energy: 12.738182453905543
Energy: 15.753505790833103
Energy: 15.221276141516498
Energy: 9.228297442831886
Energy: 6.811473038849701
Energy: 0.5372700743520836
Energy: 0.46190426112995
Energy: 8.000958866122978
Energy: 0.4460781134900807
Energy: 0.44477610460865186
Energy: 0.5041807627141269
Energy: 0.4490641254722279
Energy: 9.84897397621167
Energy: 15.124452134775128
Energy: 10.270139216124974
Energy: 0.5017319392704286
Energy: 14.59612913842728
Energy: 9.985768605403338
Energy: 0.47322037918560217
Energy: 11.605187128378775
Energy: 11.941498436683522
Energy: 0.47035212432537693
Energy: 10.472408093533494
Energy: 11.450633218485553
Energy: 11.598618179632734
Energy: 0.47497383995768855
Energy: 14.1119138042898
Energy: 0.49804246120028567
Energy: 8.298210831085886
Energy: 0.5029698984518616
Energy: 0.49305488112088797
Energy: 14.934459189028683
Energy: 13.437466944776043
Energy: 13.937845528023276
Energy: 13.67644041333669
Energy: 16.360949550383854
Energy: 18.054561115495968
Energy: 17.868570707304183
Energy: 14.27378017384455
Energy: 0.4557913513441287
Energy: 13.651164668806858
Energy: 7.744695282702119
Energy: 10.161246839478776
Energy: 10.73505375814323
Energy: 7.658682025524652
Energy: 13.694187264994161
Energy: 14.886860647617677
Energy: 16.219966312151524
Energy: 11.51862987326283
Energy: 11.796624221830392
Energy: 12.445165833610355
Energy: 11.117390321062
Energy: 13.221917949235142
Energy: 15.816571764939285
Energy: 15.722386480477276
Energy: 11.624933436712722
Energy: 15.556939995976979
Energy: 12.559697807558967
Energy: 10.82601366270268
Energy: 15.081906019943817
Energy: 0.4698049394179473
Energy: 16.39557633137578
Energy: 9.04951825460124
Energy: 11.335957683935474
Energy: 10.196696089185389
Energy: 7.406527376907796
Energy: 13.211532199550287
Energy: 13.54219943133529
Energy: 17.040943063829697
Energy: 13.391519540870767
Energy: 18.768523405623764
Energy: 17.56945409297789
Energy: 16.491284223319266
Energy: 16.705403370727126
Energy: 0.45450939647817784
Energy: 16.62474479996171
Energy: 7.892340972693703
Energy: 7.862653293428012
Energy: 0.5008585934633508
Energy: 0.4951001863773496
Energy: 15.589519099293085
Energy: 0.49946207692293676
Energy: 11.86745478895898
Energy: 10.226406737018362
Energy: 11.99792310442172
Energy: 9.851469751729002
Energy: 7.5302500848987055
Energy: 13.611147709647902
Energy: 8.84897773865712
Energy: 11.159881944538222
Energy: 15.922840586272477
Energy: 14.828945352722375
Energy: 0.4586776303666185
Energy: 14.936750280354355
Energy: 12.048381377796364
Energy: 0.4719736650240982
Energy: 9.323746776806503
Energy: 7.793122107650779
Energy: 8.350552256985111
Energy: 0.45093944938580616
Energy: 0.4772550092920531
Energy: 0.5288743736524174
Energy: 0.46510736618865084
Energy: 11.046331751132085
Energy: 15.217394099637485
Energy: 14.996687797501464
Energy: 13.541312896338896
Energy: 15.293964987373814
Energy: 10.549335571243747
Energy: 11.444872222314688
Energy: 10.91818928166234
Energy: 0.46611437941239225
Energy: 8.824773056001625
Energy: 11.197779030642565
Energy: 0.4545399695376665
Energy: 10.192161662204704
Energy: 9.663491446482988
Energy: 0.45138774641721546
Energy: 0.4556048017176258
Energy: 8.544346804265821
Energy: 0.4873436846692599
Energy: 0.4683914742277854
Energy: 0.47309505200134266
Energy: 14.966561562040738
Energy: 0.5076002692623439
Energy: 12.54603557826268
Energy: 12.318907868538647
Energy: 15.702834169182866
Energy: 12.078231422815543
Energy: 0.47824592599917193
Energy: 12.348234019176216
Energy: 7.1789183452851155
Energy: 12.90439983864447
Energy: 12.440534936958374
Energy: 13.098494511513225
Energy: 12.329664890458139
Energy: 7.508426135503918
Energy: 11.328361188579422
Energy: 0.43392569807211523
Energy: 0.4676232469650505
Energy: 10.927103158855052
Energy: 0.496618063817607
Energy: 0.49027000819148453
Energy: 0.4721005379729786
Energy: 11.330687504233591
Energy: 9.95317076955317
Energy: 0.46591105850669046
Energy: 11.476090841124465
Energy: 10.100244696996711
Energy: 12.290644003829
Energy: 10.410663275719948
Energy: 0.4711860457458829
Energy: 8.645020944784932
Energy: 15.38512989574682
Energy: 0.46825192046052994
Energy: 15.701605268125832
Energy: 14.90802200725159
Energy: 9.270736993851298
Energy: 6.707914141382408
Energy: 0.5362655645512225
Energy: 0.4546436480754066
Energy: 7.945702431036039
Energy: 0.4310183140956546
Energy: 0.45330708143094905
Energy: 0.5092720478880145
Energy: 0.4529092657737341
Energy: 9.684464418316047
Energy: 15.526398011951047
Energy: 14.10388112230981
Energy: 12.737983984160245
Energy: 15.03583952586215
Energy: 9.857906928381311
Energy: 0.4707028643360568
Energy: 11.501429749167338
Energy: 11.153262362043348
Energy: 11.325476024011499
Energy: 9.937217082685905
Energy: 7.280186772901079
Energy: 11.346593696838875
Energy: 0.47648809705947404
Energy: 14.036738550006659
Energy: 0.4984069873918441
Energy: 8.545997012838145
Energy: 8.477467319488838
Energy: 0.49124963593324444
Energy: 14.905607581016525
Energy: 13.56565459747333
Energy: 13.080197324921809
Energy: 13.503148092436977
Energy: 15.866230714404505
Energy: 17.773555937557465
Energy: 17.686549164498413
Energy: 14.433240252282937
Energy: 0.460836008957803
Energy: 13.561138425660031
Energy: 7.283401282777026
Energy: 9.94966648166042
Energy: 10.359852928038721
Energy: 7.390940351008079
Energy: 13.552080976071343
Energy: 15.499487557648216
Energy: 14.246196487373867
Energy: 11.271153830865503
Energy: 14.978846882109117
Energy: 12.725668869930493
Energy: 10.781371234406592
Energy: 12.955533135525306
Energy: 15.321609287943946
Energy: 16.800777340189537
Energy: 12.092693203159829
Energy: 12.335080741111566
Energy: 12.22955612056956
Energy: 11.298874825373103
Energy: 13.526002516208935
Energy: 0.45507310639495724
Energy: 16.473665852678536
Energy: 9.97699209723361
Energy: 11.439684373657228
Energy: 10.421501172250089
Energy: 7.674260652079573
Energy: 13.302413759144539

minimum gb energy = 0.4310183140956546 eV
minimum distance =  1.15578328083118 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 26.76360127671347
Energy: 36.55496600531001
Energy: 0.489417438216453
Energy: 17.513717046468486
Energy: 0.4753650223270383
Energy: 0.48929530893344203
Energy: 17.96980164412901
Energy: 34.129774047123426
Energy: 38.41321197557995
Energy: 32.710725002013135
Energy: 24.629707269473837
Energy: 28.661892789263273
Energy: 31.160342279459893
Energy: 39.23677926413083
Energy: 30.78324190272614
Energy: 37.49314385922916
Energy: 28.48663840271596
Energy: 24.29451588836947
Energy: 23.171165369871993
Energy: 28.223299208156043
Energy: 20.080340435985338
Energy: 28.93577167592428
Energy: 37.061989826549315
Energy: 27.47671709205339
Energy: 21.3878176766091
Energy: 23.854296025006462
Energy: 24.76636316246094
Energy: 18.32267191796237
Energy: 0.4934766669597766
Energy: 38.4060647915551
Energy: 0.45597758355004403
Energy: 43.23120199052095
Energy: 26.84486198315398
Energy: 0.45539373154725354
Energy: 39.39488925801346
Energy: 27.08296082334415
Energy: 36.63030490412293
Energy: 25.68238413239155
Energy: 0.4795961629680354
Energy: 21.597081598983955
Energy: 0.4703013856043414
Energy: 18.021029113453032
Energy: 33.87124716514079
Energy: 38.385639703898335
Energy: 32.23132369794114
Energy: 23.611710162066274
Energy: 27.337833557277197
Energy: 30.247672354932625
Energy: 38.50941110068729
Energy: 33.02052771309516
Energy: 38.018144382919566
Energy: 30.239100557549627
Energy: 25.660918579388202
Energy: 24.25621001456093
Energy: 29.945458279322672
Energy: 38.074606303337774
Energy: 27.61176168700756
Energy: 36.753973002789934
Energy: 26.32438920253708
Energy: 20.935311207320208
Energy: 0.4703150340262146
Energy: 24.105064459612514
Energy: 18.10096639406965
Energy: 0.4951755881493186
Energy: 38.4041583016481
Energy: 0.4560082825660826
Energy: 43.28520674222263
Energy: 44.280181469049424
Energy: 0.4554387207133015
Energy: 39.39525502769917
Energy: 28.030649684369678
Energy: 36.85151635765417
Energy: 26.37627701811745
Energy: 0.47047508627972673
Energy: 21.904030557967314
Energy: 26.068629080903737
Energy: 18.188193847383147
Energy: 32.16485785423927
Energy: 37.81662329949408
Energy: 30.212983809434164
Energy: 22.648274279477178
Energy: 26.08898654390379
Energy: 28.54999581879822
Energy: 37.83551669147892
Energy: 34.05891609707476
Energy: 38.41929270196304
Energy: 31.822798718614127
Energy: 26.787332095026485
Energy: 25.457269418889677
Energy: 31.76425203254148
Energy: 38.7718937740648
Energy: 26.89175963444331
Energy: 36.58530733494695
Energy: 0.4707069088931953
Energy: 17.174369569671825
Energy: 0.4756129268538801
Energy: 0.4705905170022026
Energy: 17.99408331646876
Energy: 0.4934180640142211
Energy: 38.40821565865153
Energy: 0.4559596076597102
Energy: 25.270781045808143
Energy: 29.329083137206705
Energy: 31.406162027645287
Energy: 39.394501409927074
Energy: 29.558871948048626
Energy: 37.207138484144195
Energy: 27.539831693127514
Energy: 23.736520776619063
Energy: 22.587254227094117
Energy: 27.274992007135427
Energy: 19.879645717920344
Energy: 30.051645452352318
Energy: 37.32214244992663
Energy: 28.427727778487952
Energy: 21.81408998996169
Energy: 24.990624211527333
Energy: 27.080212013870252
Energy: 18.51278156260865
Energy: 0.49350987893813203
Energy: 38.41016979748148
Energy: 32.418050402755895
Energy: 27.96473160746101
Energy: 26.681748654926835
Energy: 32.154584638659706
Energy: 39.39413298316623
Energy: 26.806730110040238
Energy: 36.565195583047945
Energy: 0.47083862158483664
Energy: 17.281384081789426
Energy: 0.4754966898887091
Energy: 0.47064805827293665
Energy: 17.976086360917915
Energy: 34.10096245260009
Energy: 38.416574287566654
Energy: 32.58969149168542
Energy: 24.25436940000572
Energy: 28.172189585409043
Energy: 30.977891006117154
Energy: 38.96572492359409

minimum gb energy = 0.45539373154725354 eV
minimum distance =  1.12336028927533 Angstroms
sigma value = 23