Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
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=[2.3874835111551e-19, 3.54427106266944e-19, 4.486591249956539e-19, 5.29122037731768e-19, 5.9935825701305995e-19, 6.6148586034967785e-19, 7.168715044104239e-19, 7.6644124728975e-19, 8.1092247717949195e-19, 8.508679450183799e-19, 8.86681399318182e-19, 9.1871211458511e-19, 9.472484826132838e-19, 9.72535636427706e-19, 9.94781858990796e-19, 1.014173002792098e-18, 1.030862876788476e-18, 1.04498766599382e-18, 1.056669135832314e-18, 1.0660162343150699e-18, 1.073150726866272e-18, 1.07815272231762e-18, 1.081107136030716e-18, 1.08207805507092e-18, 1.0810222206691138e-18, 1.0775823474359158e-18, 1.071288997617564e-18, 1.061573398508988e-18, 1.047754625040738e-18, 1.02901396495284e-18, 1.004322820846266e-18, 9.72426688416594e-19, 9.3177786503538e-19, 8.804745670380659e-19, 8.161055185904819e-19, 7.355977449086159e-19, 6.35056354595214e-19, 5.09471341315758e-19, 3.5232344834650196e-19, 1.550224454465916e-19, -9.382698847563479e-20, -4.0978391114827794e-19, -8.142069392791919e-19, -1.3370292184860717e-18, -2.0210977584919797e-18, -2.92962804056802e-18, -4.157920735257779e-18, -5.855026334822279e-18, -8.26367459931252e-18, -1.179924584285934e-17, -1.7216990108963997e-17, -2.6003807422810197e-17, -4.1407454017412994e-17, -7.165206277275779e-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: 0.01725220413073325
Energy: -2.7308651261645425
Energy: -2.730626025898405
Energy: -2.730822374340778
Energy: -2.730738183013806
Energy: 0.017311430916977844
Energy: -2.730865126165743
Energy: -1.6190789299350943
Energy: -2.730566823998766
Energy: -2.7306618458231697
Energy: -2.7305157837216965
Energy: -2.7306563573497686
Energy: -2.7306260258967896
Energy: -2.730566823998766
Energy: -1.629224859120411
Energy: 0.017628381212751457
Energy: -2.7306613059345133
Energy: -2.7307180685696397
Energy: -2.730822374340362
Energy: -2.7306618458247853
Energy: 0.017628381213120714
Energy: 0.01760296483738676
Energy: -2.730750262985958
Energy: -2.7307716927981405
Energy: -2.730738183013806
Energy: -2.730515783719665
Energy: -2.730661305935298
Energy: -2.730750262986373
Energy: -1.624256171339753
Energy: -2.7306520248459947
Energy: 0.017311430916977844
Energy: -2.7306563573505533
Energy: -2.730718068574117
Energy: -2.730771692796525
Energy: -2.7306520248488564
Energy: 0.017346828177386017

minimum gb energy = -2.730865126165743 eV
minimum distance =  2.71955406669264 Angstroms
sigma value = 1


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

Energy: 2.5492895502769137
Energy: 2.2666192010787296
Energy: 2.2493079475356925
Energy: 1.953934271800017
Energy: 2.260195760877429
Energy: 1.8413963710421257
Energy: 2.5604685877403304
Energy: 1.8909909051517209
Energy: 1.9872484377885598
Energy: 2.078604528477083
Energy: 1.9852583226531508
Energy: 1.9655312180476188
Energy: 2.558151366017676
Energy: 1.9889235640894742
Energy: 1.9462347152717254
Energy: 2.221448753715392
Energy: 1.9791630249841734
Energy: 1.9538948429034784
Energy: 2.713814047571552
Energy: 1.9693010577169816
Energy: 1.9505374723552824
Energy: 2.2296713987045504
Energy: 1.9398940047500843
Energy: 1.9608756167689274
Energy: 2.5624965373043707
Energy: 1.9791753415769455
Energy: 1.9615380557755797
Energy: 2.099138360189928
Energy: 1.940105235887865
Energy: 1.9582313194945362
Energy: 2.5597241173692313
Energy: 1.7765800025821794
Energy: 1.7562942929926433
Energy: 1.9322089211906222
Energy: 1.7806533128756328
Energy: 1.7757462612882255
Energy: 2.5597959530296466
Energy: 1.7781698718431747
Energy: 1.7741120923326303
Energy: 1.7096057438461245
Energy: 1.7742441379595728
Energy: 1.7790900726821088
Energy: 2.5609558614637105
Energy: 2.0872994641858957
Energy: 1.9685546392221112
Energy: 2.077340047147342
Energy: 1.7706306901215605
Energy: 2.1017433826680274
Energy: 2.5536418801267873
Energy: 1.7564222157649734
Energy: 1.776645883352368
Energy: 1.9916498516927497
Energy: 1.7781458908838246
Energy: 2.0220420077930994
Energy: 2.554176703315261
Energy: 1.7669042216522537
Energy: 1.7487288086939756
Energy: 1.9618790657362837
Energy: 1.7779271520942097
Energy: 1.8730142782837322
Energy: 2.5606606313664426
Energy: 1.9641314022488645
Energy: 1.9465483010400044
Energy: 2.0461905191244405
Energy: 1.9344549878898902
Energy: 2.07181167252856
Energy: 2.7138980922623044
Energy: 1.9670596813637198
Energy: 1.8164899817313023
Energy: 2.1696881855348837
Energy: 1.9916532418732726
Energy: 1.971450938547415
Energy: 2.74931491995767
Energy: 1.959581314397473
Energy: 1.80284875097024
Energy: 2.169029535749038
Energy: 1.9915439770623558
Energy: 1.993613265190822
Energy: 2.558657139810108
Energy: 1.9822247986173542
Energy: 1.9452834177044578
Energy: 2.0389726004804394
Energy: 1.9495576515184136
Energy: 1.989111371870195
Energy: 2.54784177612054
Energy: 1.9679245793570954
Energy: 1.9450743685639449
Energy: 1.9399305638808932
Energy: 1.9355726137456828
Energy: 1.9740308369790398
Energy: 2.5491566666480994
Energy: 1.9516641896115765
Energy: 1.9830745011678081
Energy: 1.9694431749937726
Energy: 1.9894847361539176
Energy: 1.9667242091589328
Energy: 2.5601185833243143
Energy: 1.9680355113096883
Energy: 2.072602144249803
Energy: 2.0665211822089593
Energy: 1.7764431567409655
Energy: 1.985552090644657
Energy: 2.7236650234510154
Energy: 1.7852743693163144
Energy: 1.7826591765325428
Energy: 1.771305388881273
Energy: 1.7769137130223862
Energy: 1.767819414495424
Energy: 2.732803275727935
Energy: 1.7795196601100116
Energy: 1.9917023639541316
Energy: 2.096672381042612
Energy: 1.7584703537981872
Energy: 1.7457716738246967
Energy: 2.5655919183434523
Energy: 1.7768876235771731
Energy: 2.0959811134479374
Energy: 2.08960989987131
Energy: 1.7850721141001171
Energy: 1.970668713475937
Energy: 2.7182301158141673
Energy: 1.7757336501072265
Energy: 1.8755081764300994
Energy: 1.849359006386551
Energy: 1.7855380246433565
Energy: 1.7786982603703951
Energy: 2.5578341745302082
Energy: 1.7733490097342917
Energy: 1.7721106939248485
Energy: 2.158421332979849
Energy: 1.7669103013123064
Energy: 1.9830719528519947
Energy: 2.5515003942293153
Energy: 1.9423958349888832
Energy: 1.9598368631199357
Energy: 1.926823866796486
Energy: 1.9585982203493277
Energy: 1.9637708569207246

minimum gb energy = 1.7096057438461245 eV
minimum distance =  2.52763693657453 Angstroms
sigma value = 33


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

Energy: -1.1755502671258604
Energy: 2.394955482350031
Energy: 2.425958030425786
Energy: 2.4135799659686814
Energy: 2.4239131709227
Energy: 2.206475394808099
Energy: -1.4960009051419203
Energy: 2.077351588614652
Energy: 2.4239518832863363
Energy: 2.545337210095476
Energy: 2.433708223513145
Energy: 2.103193696760657
Energy: 2.6567766882410817
Energy: 2.086934622419559
Energy: 2.1943684003080217
Energy: 2.669956585201341
Energy: 2.117378215475806
Energy: 2.0933615124424434
Energy: 2.8976418801626007
Energy: 2.092182740122125
Energy: 2.105420723028117
Energy: 2.6631856607007287
Energy: 2.0601944137048167
Energy: 2.059117555753416
Energy: 2.656307087644805
Energy: 2.1169796495785973
Energy: 2.422954421101369
Energy: 2.6862999804775796
Energy: 2.2003418575697795
Energy: 2.09280225873344
Energy: 2.636151461289075
Energy: 1.9607908486950005
Energy: 2.378312248347095
Energy: 2.4222932732471585
Energy: 1.9732965434617147
Energy: 1.967596921197433
Energy: 2.6528604750639397
Energy: 1.9803263060391953
Energy: 1.989751065481576
Energy: 1.986247385538003
Energy: 1.9931427518338498
Energy: 1.9443601194609605
Energy: 2.653283413548098
Energy: 2.3501885648664307
Energy: 2.4237897812033005
Energy: 2.5148115302963605
Energy: 1.9687627988660936
Energy: 2.4431068527835076
Energy: 2.6498158236959495
Energy: 2.2617645911001576
Energy: 2.1659095014373446
Energy: 2.255276460026264
Energy: 2.146031196124282
Energy: 2.3684276861270477
Energy: 2.7049425669880383
Energy: 2.147760284740001
Energy: 2.1177680539028754
Energy: 2.253266441283901
Energy: 2.173386334529114
Energy: 2.046050802719345
Energy: 2.6041959562084185
Energy: 2.349926817585332
Energy: 2.268847792820915
Energy: 2.60425278835114
Energy: 2.1160490255684996
Energy: 2.3786071658853607
Energy: 2.651830480351061
Energy: 2.375483116551261
Energy: 2.338134050930677
Energy: 2.696721062744582
Energy: 2.368011044309889
Energy: 2.3727622190338566
Energy: 2.651109510767205
Energy: 2.376179250282609
Energy: 2.3399196275356355
Energy: 2.6948749430558068
Energy: 2.3786558270665594
Energy: 2.374089416884707
Energy: 2.6563997973903644
Energy: 2.4375123612334706
Energy: 2.1170478539654427
Energy: 2.6258605121342167
Energy: 2.223951853669248
Energy: 2.6776307176599223
Energy: 2.6849432682009184
Energy: 1.9856491967120526
Energy: 1.9438787688588093
Energy: 2.1415568281038544
Energy: 1.9874994279147005
Energy: 1.9876159327007723
Energy: -0.6691501782665462
Energy: 1.980916770815199
Energy: 1.9701385747013522
Energy: 2.1219957476799682
Energy: 1.9644338650007134
Energy: 2.6552043163467087
Energy: -1.5388475670657231
Energy: 2.6062633606668735
Energy: 2.214615559530431
Energy: 2.4665120243395333
Energy: 2.0062165129765375
Energy: 2.666263565515127
Energy: 2.644987062378092
Energy: 2.0342520582795625
Energy: 2.0055012402292047
Energy: 2.005052354474003
Energy: 1.9908681216425863
Energy: 1.9865207296219543
Energy: 2.6315189628413105
Energy: 2.0332192522922434
Energy: 2.000543690264934
Energy: 2.1764593243784645
Energy: 2.029433797712989
Energy: 2.0627821192321187
Energy: 2.6441172267556015
Energy: 2.2180289914771
Energy: 2.1669376379604577
Energy: 2.748316223354149
Energy: 2.2145116319774236
Energy: 2.2165115389203076
Energy: 2.735334509821507
Energy: 2.1665001131211667
Energy: 2.209990397637728
Energy: 2.5432535029302215
Energy: 2.1744602244658453
Energy: 2.165963155294479
Energy: 2.6177423568403575
Energy: 2.1898731574338695
Energy: 2.2084699570608577
Energy: 2.6016695762237374
Energy: 2.18999685647336
Energy: 2.1709603942992612
Energy: -1.5386977921779175
Energy: 2.4481108619171645
Energy: 2.214061799570805
Energy: 2.5557149272432187
Energy: 2.152942768432238
Energy: 2.4795465696755623
Energy: 2.6695549224455433
Energy: 2.386939450414577
Energy: 2.1076125842201825
Energy: 2.1739194802807997
Energy: 2.104450260440285
Energy: 2.02013635139089
Energy: 2.8164422272378697
Energy: 2.4482792539217915
Energy: 2.1276479847473606
Energy: 2.168215351878797
Energy: 2.1238369268880333
Energy: 2.480054316041503
Energy: 2.6440266647322246
Energy: 1.9925538213677878
Energy: 1.966434793345425
Energy: 2.6715071225236957
Energy: 1.9585842084257927
Energy: 2.452712459980266
Energy: 2.7610494230578664
Energy: 1.9522534780419203
Energy: 1.9799620662258899
Energy: 2.328947715864914
Energy: 1.9692580158427757
Energy: 1.9653452342262125
Energy: 2.642698626790976
Energy: 1.952248210250436
Energy: 2.4646270142820828
Energy: 2.6219786069451763
Energy: 1.9521870757865563
Energy: 2.4530527557405475
Energy: 2.970931810327052
Energy: 2.089091559434671
Energy: 2.446253780260446
Energy: 2.5372127769741066
Energy: 2.0893230930132614
Energy: 2.0967860184786384
Energy: 2.9710269103129248
Energy: 2.084610440979246
Energy: 2.1132542566798653
Energy: 2.0682490217896605
Energy: 2.0505660900998324
Energy: 2.143704735852938
Energy: 2.657379317365713
Energy: 2.067953008875417
Energy: 2.46037972056459
Energy: 2.737538418326273
Energy: 2.3713758012581767
Energy: 2.0875350983602527
Energy: 2.827588653516415
Energy: 2.563224740901461
Energy: 2.384926568075816
Energy: 2.541100882528422
Energy: 2.3866476205443683
Energy: 2.4022694159060003
Energy: 2.7243380464013582
Energy: 2.3842277711836304
Energy: 2.3889394042495664
Energy: 2.3718883643440716
Energy: 2.3856247375600885
Energy: 2.1563036816850394
Energy: 2.6566263339182785
Energy: 2.087479852380457
Energy: 2.384389291671288
Energy: 2.5438461718382923
Energy: 2.4607791811828785
Energy: 2.089904999737765
Energy: 2.8100443220697566
Energy: 1.9659247486165692
Energy: 1.9533457591619856
Energy: 2.471289737464091
Energy: 1.961057570886015
Energy: 2.08134107600642
Energy: 2.967614451139742
Energy: 1.985524200550278
Energy: 1.9549178909027427
Energy: 2.6992228482962357
Energy: 1.9538417461444475
Energy: 1.9570366493681985
Energy: 2.660280061776025
Energy: 2.115094960268467
Energy: 2.54593246542045
Energy: 2.456645179390544
Energy: 2.540099699353302
Energy: 2.4272166859950093
Energy: 2.896371655192216
Energy: 1.9656081055996553
Energy: 1.9660085512906824
Energy: 2.6224611131286157
Energy: 1.97895613892488
Energy: 1.9283293785563849
Energy: -0.7945763798421879
Energy: 1.9914341679577292
Energy: 1.9733808997705737
Energy: 2.6304871110472945
Energy: 1.941721897218211
Energy: 1.9650368784323493
Energy: 2.654024269147762
Energy: 2.094153954423817
Energy: 2.4043854685054566
Energy: 2.4623789347722536
Energy: 2.4178118571722416
Energy: 2.1102112986723722
Energy: 2.704293831806754
Energy: 2.435906835323763
Energy: 2.3586888620319666
Energy: 2.3993696811131024
Energy: 2.360466656338894
Energy: 2.2066066360851786

minimum gb energy = -1.5388475670657231 eV
minimum distance =  2.51247800581982 Angstroms
sigma value = 51


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

Energy: 5.801346860702154
Energy: 2.5673081454721993
Energy: 2.5655652689344914
Energy: 2.5064186674300175
Energy: 2.564628024742458
Energy: 2.3017525970269266
Energy: 2.6177487034086497
Energy: 2.1134122605788015
Energy: 2.5069187601352874
Energy: 2.882743229724024
Energy: 2.501763273205146
Energy: 2.4722056036085513
Energy: 2.6134119383861862
Energy: 2.483859454981487
Energy: 2.1382804212007223
Energy: 2.8729378292220646
Energy: 2.4490935906780025
Energy: 2.482745545408048
Energy: 2.3951258967384006
Energy: 2.478952137080443
Energy: 2.44298963814285
Energy: 2.803389349113634
Energy: 2.4628293571060826
Energy: 2.4949844903069756
Energy: 2.448990387645361
Energy: 2.467229397212637
Energy: 1.9078987776445029
Energy: 2.8833201706804825
Energy: 2.1135920612530343
Energy: 2.4517046506406706
Energy: 2.443939050406586
Energy: 2.279910017107321
Energy: 1.9691278149697926
Energy: 2.8796030914677924
Energy: 2.277797573935907
Energy: 2.285719344581797
Energy: 2.4292260990659793
Energy: 2.3921209740939875
Energy: 2.3794831992626313
Energy: 2.1073511532719382
Energy: 2.422194248597744
Energy: 2.2728597770290913
Energy: 2.402830945078337
Energy: 2.420077816401932
Energy: 1.9637443655145297
Energy: 2.8566101412167693
Energy: 1.881121362907574
Energy: 2.422105253482354
Energy: 2.4520894827340594
Energy: 2.013502582650363
Energy: 1.9992430819856186
Energy: 2.00627478210446
Energy: 1.9753297935221537
Energy: 2.438622924870246
Energy: 2.3899921726448468
Energy: 1.9943507274017072
Energy: 1.9646457206424184
Energy: 2.6720429062374254
Energy: 1.9869115824294041
Energy: 1.9667483356846096
Energy: 2.4419383669761827
Energy: 2.384475574484641
Energy: 2.0363711081188547
Energy: 2.836891135521909
Energy: 2.0109776964131134
Energy: 2.399670945938746
Energy: 2.6255288723183052
Energy: 2.597553713103981
Energy: 2.6119808913548725
Energy: 2.8043611563850135
Energy: 2.611752914370457
Energy: 2.4580684493700455
Energy: 2.6022315327593777
Energy: 2.5903224293684577
Energy: 2.5914159479404923
Energy: 2.8044610127531144
Energy: 2.587194542821904
Energy: 2.5989326087778646
Energy: 2.622032617256004
Energy: 2.473018825403646
Energy: 1.9885372558548344
Energy: 2.8604780808942127
Energy: 1.980989937379857
Energy: 2.6072782579983707
Energy: 2.4435152299102763
Energy: 2.1488147160275357
Energy: 2.1048365590669675
Energy: 2.893754877675276
Energy: 2.153712102252654
Energy: 2.132811836590267
Energy: 2.6088207972121986
Energy: 2.158711836598583
Energy: 2.144857889736835
Energy: 2.627094005686415
Energy: 2.1580885293499477
Energy: 2.474776329635707
Energy: 2.6232547446426566
Energy: 2.4839963272467402
Energy: 2.4948112205504653
Energy: 2.8747278392582287
Energy: 1.964834834100644
Energy: 2.48808954248734
Energy: 2.7788718022803907
Energy: 2.50800129722509
Energy: 2.491754083159252
Energy: 2.4919911710294995
Energy: 2.504225329734579
Energy: 2.3264847445962276

minimum gb energy = 1.881121362907574 eV
minimum distance =  2.51909173098508 Angstroms
sigma value = 19


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

Energy: 2.9919418662584483
Energy: 2.8542340739707566
Energy: 2.680934639098657
Energy: 2.7066188632713555
Energy: 2.662089421136201
Energy: 2.69625936782489
Energy: 2.99784052033299
Energy: 2.293817825152171
Energy: 2.6663182032937676
Energy: 2.8586468245227246
Energy: 2.322066400836748
Energy: 2.3215143696020344
Energy: 3.0168417629032818
Energy: 2.29412981102328
Energy: 2.2347826267335664
Energy: 2.8508720752609364
Energy: 2.276406719545024
Energy: 2.256988390314052
Energy: 3.02006135767726
Energy: 2.3031316507426216
Energy: 2.30857567616255
Energy: 2.6354648602033994
Energy: 2.3091463425093655
Energy: 2.3196532631210065
Energy: 3.020357375687834
Energy: 2.3317322332093466
Energy: 2.4334742845154986
Energy: 2.8524894529727374
Energy: 2.152801122468311
Energy: 2.258302309390993
Energy: 3.01938487229877
Energy: 2.2438670268473113
Energy: 2.3564852116604333
Energy: 2.865991386967818
Energy: 2.291797624624455
Energy: 2.2190353399048957
Energy: 3.0201121920047593
Energy: 2.29036901888972
Energy: 2.0378844695695317
Energy: 1.9281463342829293
Energy: 2.3121629326646693
Energy: 2.313517375704876
Energy: 3.000008330750943
Energy: 2.249149799851514
Energy: 2.4388607699567637
Energy: 2.855307798154584
Energy: 1.8193492541987526
Energy: 2.22215177344059
Energy: 2.9875988686700707
Energy: 2.332909194764389
Energy: 2.6300234871937263
Energy: 2.8673875874163084
Energy: 2.6318844882913717
Energy: 2.2285243415862617
Energy: 0.005673131028642609
Energy: 2.6500302928789727
Energy: 2.6715816148997797
Energy: 2.6620480859802176
Energy: 2.663553253335604
Energy: 2.4374513214750393
Energy: 2.9976170496128547
Energy: 2.164604837523355
Energy: 2.6541282612063353
Energy: 2.6454659325709127
Energy: 2.438950616085124
Energy: 2.287816427349038
Energy: 3.0198533307066335
Energy: 1.9321241770534017
Energy: 1.8883029410098544
Energy: 2.2993906585975226
Energy: 1.8880259504037373
Energy: 2.235297819357765
Energy: 2.9908705417598394
Energy: 1.874033156207942
Energy: 1.8115901764834363
Energy: 2.4746943876288565
Energy: 1.843933987626295
Energy: 1.8747909422036433
Energy: 3.0040016554063214
Energy: 1.920195280767576
Energy: 2.2557693079713443
Energy: 2.621312718931409
Energy: 2.3030185007486805
Energy: 2.3709125898614403
Energy: 2.9971733170858377
Energy: 2.6129794659228023
Energy: 2.2615773590907646
Energy: 2.906125713906644
Energy: 2.3479411121607496
Energy: 2.5978541640167103
Energy: 2.3941224253002735
Energy: 2.6429649179973516
Energy: 2.5204378642854053
Energy: 2.976872030995954
Energy: 2.6725668641048403
Energy: 2.6527896033735527
Energy: 2.998996638523418
Energy: 2.3786981853780453
Energy: 2.312507812949016
Energy: 2.620513711804024
Energy: 2.309798555773404
Energy: 2.637857275805833
Energy: 0.02223921186060087
Energy: 2.309866851328442
Energy: 2.2892241717637924
Energy: 3.085898088945073
Energy: 2.320297857237122
Energy: 2.2717442383395405
Energy: 2.9850374910845003
Energy: 2.300417600910719
Energy: 2.289522923791259
Energy: 2.3031255990529558
Energy: 2.286363418052378
Energy: 2.2310323195569857
Energy: 2.998406188487844
Energy: 2.423390238233157
Energy: 2.286399975614032
Energy: 3.098367460754114
Energy: 1.8801315291282101
Energy: 2.644643754771012
Energy: 2.9876899900085703
Energy: 2.298975439939406
Energy: 2.1828973730720027
Energy: 2.304057490799173
Energy: 2.254945217839235
Energy: 2.347978061624871
Energy: 2.9925157045150494
Energy: 2.2965658226051833
Energy: 2.2923054475346945
Energy: 2.640161933482043
Energy: 2.323812693066047
Energy: 1.9842502540978686
Energy: 3.000480471883076
Energy: 2.403514233874211
Energy: 2.201283698174296
Energy: 2.625459654686962
Energy: 2.2310838867643037
Energy: 2.615680757330164
Energy: 2.41965997182796
Energy: 2.6509562504820994
Energy: 2.420292727363612
Energy: 2.959156255130198
Energy: 2.6282526887819104
Energy: 2.662477262394346
Energy: 3.174305728148624
Energy: 2.632349499743215
Energy: 1.7405869536707328
Energy: 2.963696921167296
Energy: 2.643129349506203
Energy: 2.6214953545161332
Energy: 3.004565321968623
Energy: 2.247849867482571
Energy: 2.1904832346923615
Energy: 2.6583974490601916
Energy: 2.2694216529287456
Energy: 2.645052668869067
Energy: 3.000432450969043
Energy: 1.8948278907377705
Energy: 1.919318892748514
Energy: 2.4279364529640453
Energy: 1.894127064533974
Energy: 1.8752738666015245
Energy: 3.01882539962329
Energy: 1.8666644808509045
Energy: 1.814661195494442
Energy: 2.026569378835034
Energy: 1.8017035427011443
Energy: 2.2777471320326996
Energy: 2.9975391642274
Energy: 2.3205006006031184
Energy: 2.412132070490691
Energy: 2.6319809100423037
Energy: 2.377961530809178
Energy: 2.5073928598671165
Energy: 2.975085582932592
Energy: 2.297337986594096
Energy: 2.653233971732491
Energy: 2.6404327523648536
Energy: 2.6329850831256723
Energy: 2.5195410903474857

minimum gb energy = 0.005673131028642609 eV
minimum distance =  2.5136627830393 Angstroms
sigma value = 27


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

Energy: 3.9215006467442275
Energy: 2.229420214801769
Energy: 2.272420357498339
Energy: 2.8318006546366514
Energy: 2.192534521719446
Energy: 1.3422395834628462
Energy: 2.9661045872074454
Energy: -0.3644851904110759
Energy: 2.195059832902811
Energy: 2.8277709642283195
Energy: 1.2202043030169354
Energy: 2.260274135619972
Energy: 2.9671464226146402
Energy: 2.2309500486861564
Energy: 0.5433658249503335
Energy: 2.858083785941047
Energy: 2.209043388567071
Energy: 2.234215752389534
Energy: 2.8234433851964584
Energy: 2.2623442133294653
Energy: 2.257749092539664
Energy: 2.2738343985672933
Energy: 2.290348143018455
Energy: 2.2360422231030257
Energy: 2.9684524271453214
Energy: 2.2302957811159723
Energy: -0.1849113257805985
Energy: 2.8560983166483322
Energy: 0.21397767025030004
Energy: 2.2447318324894945
Energy: 2.9685131205997335
Energy: 2.260441865151507
Energy: 0.020174830518179362
Energy: 2.849586558983634
Energy: -0.21928885000086545
Energy: 2.1723643783830244
Energy: 2.9684776698880544
Energy: 2.260314182595499
Energy: -0.9050563869168391
Energy: -0.9322494503446163
Energy: 2.218687982162046
Energy: 2.230871317667949
Energy: 2.9651836392899837
Energy: 2.2152001423752816
Energy: 1.2140365731051288
Energy: 2.8491184669237986
Energy: 0.05733482059053992
Energy: 2.869077100842313
Energy: 2.967382501702191
Energy: -0.07667770986364417
Energy: 2.1974232033626393
Energy: 2.850718561807702
Energy: 2.2298043247479002
Energy: -0.17462036133080117
Energy: 2.8855310314337257
Energy: 2.291040633095929
Energy: 2.1749326763283885
Energy: 2.206037964616931
Energy: 2.265496869840548
Energy: 1.149466025809106
Energy: 2.966528541707318
Energy: 0.8855770652208927
Energy: 2.25380568753108
Energy: 2.85150738829306
Energy: 1.1482569172783679
Energy: 2.26318660382149
Energy: 2.966823250987385
Energy: -0.011994736468711822
Energy: 2.1946007249545842
Energy: 2.8548707001015847
Energy: 1.1251532388637082
Energy: 0.6566644897011282

minimum gb energy = -0.9322494503446163 eV
minimum distance =  2.56241476466747 Angstroms
sigma value = 9


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

Energy: 3.5305595101676097
Energy: 2.9325105446765276
Energy: 2.931663409556466
Energy: 2.9634109807011706
Energy: 2.931993318626468
Energy: 2.70776744332006
Energy: 3.0090468010045295
Energy: 2.2024742814926275
Energy: 2.9207932820917977
Energy: 2.9700512175517524
Energy: 2.834821888864168
Energy: 2.59134590744219
Energy: 2.9845465754598637
Energy: 2.239366855235247
Energy: 2.236433601362089
Energy: 2.9714583457690504
Energy: 2.2480794060716436
Energy: 2.5596974370853443
Energy: 2.9429072250819166
Energy: 2.233984763170156
Energy: 2.2363226325089354
Energy: 3.1343996042406137
Energy: 2.2401774958648404
Energy: 2.2307102076268293
Energy: 3.136913387006709
Energy: 2.240813180433207
Energy: 2.2407361863751394
Energy: 2.969831472619906
Energy: 2.2465366250916006
Energy: 2.186398197115503
Energy: 2.9746910160233604
Energy: 2.911254357703771
Energy: 2.217595048454101
Energy: 2.902555119319901
Energy: 2.2205252676666456
Energy: 2.9165410059285723
Energy: 2.954438844134557
Energy: 2.931135896447859
Energy: 2.798804424906101
Energy: 3.0284250541318256
Energy: 2.933056560884145
Energy: 2.929570819527237
Energy: 2.9452766806948794
Energy: 2.9118432271937764
Energy: 2.2077529774153812
Energy: 2.9024177207867683
Energy: 2.2205294570065894
Energy: 2.9172754798756957
Energy: 2.9596959400741363
Energy: 2.4412805610888344
Energy: 2.442144039737302
Energy: 2.9689352712048205
Energy: 2.240370442115636
Energy: 2.40514140873944
Energy: 2.9608986313891
Energy: 2.4385103637773757
Energy: 2.4305525313133867
Energy: 3.2942362006770534
Energy: 2.4346297038536147
Energy: 2.4295707147333276
Energy: 2.946849634434338
Energy: 2.438733662684884
Energy: 2.418553388096785
Energy: 3.0501350363695323
Energy: 2.4442335010851326
Energy: 2.380923748789511
Energy: 2.9504814981562504
Energy: 2.421673534472029
Energy: 2.7590432579555246
Energy: 2.969913242031441
Energy: 2.759207252365359
Energy: 2.4425491024110912
Energy: 2.984626925702168
Energy: 2.768682544822871
Energy: 2.760806930517996
Energy: 2.9684858015230238
Energy: 2.763425966265163
Energy: 2.4956037892316725
Energy: 2.95190165021843
Energy: 2.4783494840308484
Energy: 2.7532302917399165
Energy: 2.788156390616524
Energy: 2.7513933382714657
Energy: 2.4389410064793235
Energy: 2.9442543767683977
Energy: 2.410997830626708
Energy: 2.7561748948364677
Energy: 2.97672950680591
Energy: 2.7142555292736543
Energy: 2.602105464418007
Energy: 3.178256044387803
Energy: 2.7581880874501423
Energy: 2.753694551070144
Energy: 2.9757015011223764
Energy: 2.7495706539430187
Energy: 2.6414366808354055
Energy: 2.952932786607655
Energy: 2.4255791991828195
Energy: 2.747912813294396
Energy: 3.003136118724347
Energy: 2.7275969886637257
Energy: 2.6597811881127313
Energy: 2.9419145822669184
Energy: 2.425694556131435
Energy: 2.7368632094331744
Energy: 2.9697763366111114
Energy: 2.39416873767952
Energy: 2.3976612187864865
Energy: 2.9592766234875136
Energy: 2.424171488652891
Energy: 2.427380380139292
Energy: 2.3089092037935903
Energy: 2.431516111128596
Energy: 2.4255686099237006
Energy: 2.960615387220037
Energy: 2.4188850337968715
Energy: 2.4506892961790117
Energy: 2.938018029613425
Energy: 2.436420529930358
Energy: 2.4151786586950346
Energy: 2.950617230443995
Energy: 2.5833903652631
Energy: 2.2428857415879593
Energy: 2.936990979983411
Energy: 2.201410583988006
Energy: 2.933847058242611
Energy: 2.948287512179361
Energy: 2.9259750045053474
Energy: 2.9027094432758025
Energy: 2.9465762897474197
Energy: 2.915434896884889
Energy: 2.9298889940248563
Energy: 3.0002496920388717
Energy: 2.9046960622553986
Energy: 2.208567616972242
Energy: 2.950950017584733
Energy: 2.5815151441048143
Energy: 2.9223835377997425
Energy: 2.9762404078196
Energy: 2.238429779348473
Energy: 2.241078084662295
Energy: 2.93638254976082
Energy: 2.210131526671856
Energy: 2.926764063377986
Energy: 3.0789156999636713
Energy: 2.2365684913836077
Energy: 2.2334760852223026
Energy: 2.933406829684811
Energy: 2.2429320818454705
Energy: 2.2373879790629942
Energy: 2.975828674684496
Energy: 2.2385625632527293
Energy: 2.2341182210282606
Energy: 2.944251224718247
Energy: 2.2420498644340086
Energy: 2.5995712008736636
Energy: 3.008202372850419
Energy: 2.2241248724756897
Energy: 2.9192394208812127
Energy: 2.9738205238675643
Energy: 2.2344957375780563
Energy: 2.593002628696512
Energy: 3.1365813530080784
Energy: 2.915185776311205
Energy: 2.924785152491715
Energy: 2.9087580354737237
Energy: 2.9270317440978038
Energy: 2.814944351955378
Energy: 2.9557981376333795
Energy: 2.2472582861903447
Energy: 2.929444928564624
Energy: 2.9617414116537475
Energy: 2.9104466483263223
Energy: 2.5298635156174303
Energy: 2.9823362714030277
Energy: 2.2446176053725417
Energy: 2.409695168889965
Energy: 2.96902656964498
Energy: 2.3883897624595547
Energy: 2.7458766207099226
Energy: 3.2922269889230393
Energy: 2.438958301940326
Energy: 2.444614936337556
Energy: 2.415606132796576
Energy: 2.4501890771722237
Energy: 2.407408147045322
Energy: 3.050063197939521
Energy: 2.43375418110426
Energy: 2.4324348789177734
Energy: 2.9518892573646855
Energy: 2.4401235209955257
Energy: 2.251399164976988
Energy: 3.0054484777442796
Energy: 2.7480731257712727
Energy: 2.4419529265562177
Energy: 2.9435254318955417
Energy: 2.441907277249006
Energy: 2.765448002787062
Energy: 3.009491231413872
Energy: 2.753398193573482
Energy: 2.7531247024229466
Energy: 3.1366884562578456
Energy: 2.7525825659771765
Energy: 2.746499926400379
Energy: 3.0083197923583147
Energy: 2.749098470027993
Energy: 2.4185299104635747
Energy: 2.9755178169135994
Energy: 2.770855832211599
Energy: 2.7532615574207253
Energy: 2.977294229807274
Energy: 2.6132134804979827
Energy: 2.1832576098380283
Energy: 2.941989479611548
Energy: 2.2278196544515336
Energy: 2.85931544696706
Energy: 3.034705126730527
Energy: 2.767470839128171
Energy: 2.425357861782508
Energy: 2.954625399382918
Energy: 2.755747736137494
Energy: 2.735012740330956
Energy: 3.0104307193413327
Energy: 2.743839770437745
Energy: 2.6281379538409007
Energy: 3.1790040610857324
Energy: 2.7608586668838084
Energy: 2.7564027958113178
Energy: 2.975962629408433
Energy: 2.7551955379372632
Energy: 2.414459665743538
Energy: 2.943822244753204
Energy: 2.4393716528659746
Energy: 2.7472150781603233
Energy: 3.1423356108018226
Energy: 2.4289455355427596
Energy: 2.4323617177434347
Energy: 2.950400565534408
Energy: 2.4449066474984904
Energy: 2.394661921196405
Energy: 3.1339175008360076
Energy: 2.437861666023005
Energy: 2.4372076052363405
Energy: 2.3985325717488206
Energy: 2.451672058456899
Energy: 2.407936313919819
Energy: 3.008422694306961
Energy: 2.2449677355382027
Energy: 2.407144947510916
Energy: 2.964048960996635
Energy: 2.4308833451975285
Energy: 2.730140258761736
Energy: 2.9513151208635904
Energy: 2.2298900386935414
Energy: 2.9600011661315366
Energy: 2.94190577998668
Energy: 2.911400191448269
Energy: 2.272322932456962

minimum gb energy = 2.1832576098380283 eV
minimum distance =  2.49763976270594 Angstroms
sigma value = 57


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

Energy: 5.565939229844549
Energy: 2.5584064136748763
Energy: 2.550479536786509
Energy: 2.6749779150959685
Energy: 2.5532788128171986
Energy: 2.4400780449019632
Energy: 2.702940284406783
Energy: 2.4345490898555666
Energy: 2.5454467980687636
Energy: 2.659590482208388
Energy: 2.3603547173949413
Energy: 2.3553037149889695
Energy: 2.737471521137958
Energy: 2.394518320549665
Energy: 2.403465435281297
Energy: 2.642334377767058
Energy: 2.4025261939124207
Energy: 2.5276285794049342
Energy: 2.689618417537715
Energy: 2.4045920619382026
Energy: 2.4023544667788235
Energy: 2.63825820378085
Energy: 2.401561317916153
Energy: 2.4423342004309316
Energy: 2.6881881390292173
Energy: 2.4275069311232627
Energy: 2.328776122244449
Energy: 2.6591818292461
Energy: 2.402801384506921
Energy: 2.5207623866141935
Energy: 2.738477437145493
Energy: 2.544700233045353
Energy: 2.4273967215499255
Energy: 2.6314237266033067
Energy: 2.363759266096411
Energy: 2.5529447332662882
Energy: 2.6966511982777175
Energy: 2.5562658435211234
Energy: 2.5427339543007283
Energy: 2.7830908139191277
Energy: 2.5588846606570272
Energy: 2.5482787487674528
Energy: 2.7016475558529667
Energy: 2.5412293035834086
Energy: 2.434032139979836
Energy: 2.540818226329118
Energy: 2.3634960899517616
Energy: 2.533343531202409
Energy: 2.7006240922016413
Energy: 2.359740346145917
Energy: 2.3292222721778004
Energy: 2.6564792767092062
Energy: 2.333851868686348
Energy: 2.645199720283511
Energy: 2.700817824079721
Energy: 2.538447686132546
Energy: 2.4562292375446937
Energy: 2.6888297161026653
Energy: 2.5303685866875765
Energy: 2.5263014234038894
Energy: 2.701639848124927
Energy: 2.541242399505352
Energy: 2.434055584017196
Energy: 2.683932435137102
Energy: 2.370883043231131
Energy: 2.656139981746214
Energy: 2.703508167696937
Energy: 2.3524374653037974
Energy: 2.3732056682299687
Energy: 2.655284919932521
Energy: 2.4282128647198564
Energy: 2.316851652310996
Energy: 2.7009372616052136
Energy: 2.406527228914772
Energy: 2.4018902902869272
Energy: 2.544557124345421
Energy: 2.407238939812539
Energy: 2.4130284934469675
Energy: 2.6994212961303985
Energy: 2.4128044159025723
Energy: 2.4036553492923165
Energy: 2.68724375678951
Energy: 2.405926312905648
Energy: 2.356807226036397
Energy: 2.7355729198569856
Energy: 2.426644084345872
Energy: 2.5342238395423546
Energy: 2.6629536706035815
Energy: 2.305429679356749
Energy: 2.3697197519256847
Energy: 2.6812518847082907
Energy: 2.538642338161275
Energy: 2.5381348574731155
Energy: 2.664774883635519
Energy: 2.538450263950743
Energy: 2.546056527623078
Energy: 2.6819116664507394
Energy: 2.3358489272723513
Energy: 2.5432150391379866
Energy: 2.6379751230352038
Energy: 2.554268643407995
Energy: 2.4334150236969587
Energy: 2.7386800148534154
Energy: 2.4087880541963442
Energy: 2.5245311683902303
Energy: 2.6515764459774043
Energy: 2.349945621951959
Energy: 2.378490066471321
Energy: 2.6881554502432863
Energy: 2.33742525264522
Energy: 2.553788181717988
Energy: 2.6563776567284796
Energy: 2.5514577602693578
Energy: 2.3531161628092514

minimum gb energy = 2.305429679356749 eV
minimum distance =  2.50816976777641 Angstroms
sigma value = 11


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

Energy: 2.294579811803034
Energy: 2.315698573303485
Energy: 2.299899432786778
Energy: 2.3024305519905695
Energy: 2.3117405043964485
Energy: 2.3123893332414727
Energy: 2.3192332277884438
Energy: 2.414037720053582
Energy: 2.329694597879765
Energy: 2.3231705609675273
Energy: 2.2825704862583067
Energy: 2.422636705944947
Energy: 2.3123572849788765
Energy: 2.425364810202866
Energy: 2.268665608475864
Energy: 2.2944968089751905
Energy: 2.378331291179285
Energy: 2.3912010263318435
Energy: 2.3212158276653
Energy: 2.366208957638725
Energy: 2.260546965222698
Energy: 2.3082555771781514
Energy: 2.3776787724091992
Energy: 2.3280634785755394
Energy: 2.319663023882798
Energy: 2.3697779079200765
Energy: 2.269435578663152
Energy: 2.321743720358939
Energy: 2.3829296667135313
Energy: 2.339241988996587
Energy: 2.3119465782233934
Energy: 2.411877934613659
Energy: 2.373882628161632
Energy: 2.332514732867471
Energy: 2.338250650956621
Energy: 2.2728074643831926
Energy: 2.3107266569486353
Energy: 2.3566533257035913
Energy: 2.3622740474284347
Energy: 2.306931893192483
Energy: 2.362478033175692
Energy: 2.300904499662431
Energy: 2.3101974368363605
Energy: 2.392040381011049
Energy: 2.3151238328027213
Energy: 2.2754727723193473
Energy: 2.37971490850441
Energy: 2.4192815949541804
Energy: 2.354906450760931
Energy: 2.3045882127958706
Energy: 2.4218354890009888
Energy: 2.282629750703197
Energy: 2.363065344330427
Energy: 2.3008039630153325
Energy: 2.309615919625179
Energy: 2.3039807422764436
Energy: 2.309528278546122
Energy: 2.473196886007041
Energy: 2.3063331233744617
Energy: 2.30154808983883
Energy: 2.312510080213611
Energy: 2.3059678897096574
Energy: 2.3361969929326665
Energy: 2.313898493439662
Energy: 2.334456594633542
Energy: 2.302460169219184
Energy: 2.3077100236964214
Energy: 2.3046763277916273
Energy: 2.4196752551564695
Energy: 2.3558952021960335
Energy: 2.2766806986747707
Energy: 2.3029894689303108
Energy: 2.3111476379214073
Energy: 2.3195797687768414
Energy: 2.3747369331634407
Energy: 2.3051294519268932
Energy: 2.31451849392738
Energy: 2.3007581255204963
Energy: 2.3087402583219268
Energy: 2.3094635067312526
Energy: 2.323043997232178
Energy: 2.310840638053706
Energy: 2.3065812543490436
Energy: 2.297340970592274
Energy: 2.3437899164829594
Energy: 2.3008041327092044
Energy: 2.420899816668461
Energy: 2.300493805028504
Energy: 2.3682738173107474
Energy: 2.2934409242398583
Energy: 2.3250432115816193
Energy: 2.381132870634264
Energy: 2.3801114195893893
Energy: 2.3169867780816102
Energy: 2.3671520754876676
Energy: 2.261323201063777
Energy: 2.3135452258583276
Energy: 2.3643719159390466
Energy: 2.453512378775106
Energy: 2.3080960085191635
Energy: 2.362304410834394
Energy: 2.301153912239527
Energy: 2.356373001237482
Energy: 2.38804748860666
Energy: 2.363110060444859
Energy: 2.3145330934688864
Energy: 2.3707345972845575
Energy: 2.304919640043833
Energy: 2.333345629285604
Energy: 2.341049494840479
Energy: 2.363415549757229
Energy: 2.319051350239079
Energy: 2.403398327783645
Energy: 2.3679799943116624
Energy: 2.315401268684709
Energy: 2.3629667719371357
Energy: 2.28368032904395
Energy: 2.2959989088698842
Energy: 2.3770824391848246
Energy: 2.3632320833813094
Energy: 2.317457535424555
Energy: 2.364668684221279
Energy: 2.4173456584075645
Energy: 2.3055790338639666
Energy: 2.3928493464467073
Energy: 2.370785807635831
Energy: 2.319468800559846
Energy: 2.3663103836039734
Energy: 2.3030525610781134
Energy: 2.3101731586787633
Energy: 2.310703292984839
Energy: 2.4250030200340316
Energy: 2.311485890204125
Energy: 2.3083716020497573
Energy: 2.3052970854050003
Energy: 2.2909190568886695
Energy: 2.3065572764770588
Energy: 2.4588090437682566
Energy: 2.3183106748900464
Energy: 2.275948790299876
Energy: 2.3041313200812588
Energy: 2.289417386878072
Energy: 2.326786262480809
Energy: 2.421800246269767
Energy: 2.3226570725146525
Energy: 2.3397647710199827
Energy: 2.2998464873521853
Energy: 2.3001952864091253
Energy: 2.2793245473213974
Energy: 2.422652005057328
Energy: 2.306999935261902
Energy: 2.3123963948115125
Energy: 2.2979834196392286
Energy: 2.296132412735276
Energy: 2.307954771319583
Energy: 2.421627758125764

minimum gb energy = 2.260546965222698 eV
minimum distance =  2.46782586247113 Angstroms
sigma value = 41


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

Energy: 2.03152763147276
Energy: 2.0149178567410857
Energy: 1.962068275400276
Energy: 1.9635207854906
Energy: 2.0141260023371634
Energy: 2.3042129753398055
Energy: 1.9642391536071948
Energy: 2.102205023319762
Energy: 2.0743692009187322
Energy: 2.0156910609994276
Energy: 1.966356809000606
Energy: 2.155593005457901
Energy: 1.9636960319056398
Energy: 2.114014022467702
Energy: 1.963303965373222
Energy: 2.0227464457383975
Energy: 1.9614946160040694
Energy: 2.1949830360074314
Energy: 1.9713876754649016
Energy: 2.0924669082072795
Energy: 1.9626928417392175
Energy: 1.9649201776455998
Energy: 2.152258955311297
Energy: 2.268880224497696
Energy: 1.9685362529859416
Energy: 2.102987242685569
Energy: 1.9646247388653642
Energy: 1.9621985831353477
Energy: 1.9631305554088938
Energy: 2.2697283999514415
Energy: 2.1058075057780488
Energy: 2.171891596321481
Energy: 2.175281534966282
Energy: 1.992948945014936
Energy: 2.1090636324604226
Energy: 2.219432133482229
Energy: 1.9643205782031368
Energy: 2.1041213084228523
Energy: 2.235209334793395
Energy: 2.1141817250019583
Energy: 2.2319521423742605
Energy: 2.173092960710791
Energy: 1.9696977329383718
Energy: 2.2353162224446677
Energy: 2.1081327812052573
Energy: 2.1149307273735274
Energy: 2.199794927308282
Energy: 2.282052682649505
Energy: 1.9641625906346203
Energy: 2.1141302422398893
Energy: 2.2012431641160837
Energy: 2.048101550993166
Energy: 2.2080724183939946
Energy: 2.1023732773503165
Energy: 1.962724577407936
Energy: 1.9629875213375998
Energy: 1.962100730445001
Energy: 1.998345174820966
Energy: 1.9629179224093614
Energy: 1.96237868142691
Energy: 1.9659017960827578
Energy: 2.0936071735070514
Energy: 2.2068517010889606
Energy: 1.9742085326506797
Energy: 2.095361195845163
Energy: 1.9627546983561326
Energy: 2.0461447607648906
Energy: 1.9618770588269308
Energy: 2.195519036332575
Energy: 2.202822458470671
Energy: 1.9609828857569152
Energy: 2.0082124636129817
Energy: 1.9598663436744415
Energy: 1.9643362107864017
Energy: 1.961963219421312
Energy: 2.2810324175739587
Energy: 1.9641933764319985
Energy: 1.9666937122040717
Energy: 1.9649075386982162
Energy: 2.0123141938422906
Energy: 1.988527086048987
Energy: 2.307771947771203
Energy: 2.0009677251267766
Energy: 1.9619367845152498
Energy: 1.9620910273908938
Energy: 1.9653913760317583
Energy: 2.1407216251504577
Energy: 2.2058650878574113
Energy: 1.990348771801279
Energy: 1.9612451248725558
Energy: 1.9639995787880722
Energy: 1.9604729425943492
Energy: 2.104550915738848
Energy: 2.208192558860797
Energy: 1.9603891836891147
Energy: 1.9605768255603453
Energy: 1.9647128562926965
Energy: 1.961240037616976
Energy: 1.9652009534050348
Energy: 2.3367871794561883
Energy: 1.9965214170812606
Energy: 1.9612508134605324
Energy: 1.9603842329375836
Energy: 1.9653942411322556
Energy: 2.102328977759057
Energy: 1.9631959965470187
Energy: 1.9658852764473498
Energy: 1.9599932492842607
Energy: 2.0441477121006617
Energy: 1.9982902151755282
Energy: 2.202774242568848
Energy: 2.2023418009612024
Energy: 1.9628945069512378
Energy: 1.964299827120822
Energy: 2.042972843018083
Energy: 1.9629054202868748
Energy: 2.1236018675647226
Energy: 2.2831370237465203
Energy: 2.1028989173267187
Energy: 1.9639374972810781
Energy: 1.9619851405255648
Energy: 2.147602869050903
Energy: 2.284601301657361
Energy: 2.2779490949074828
Energy: 2.1577467297254698
Energy: 1.964275341829632
Energy: 1.9632659121125464
Energy: 2.113159917892584
Energy: 2.2026871413269333
Energy: 2.040726178567767
Energy: 2.20201910330907
Energy: 2.10828933509273
Energy: 2.1021846144021668
Energy: 2.235913467171707
Energy: 2.1106533615348773
Energy: 2.111517810656426
Energy: 2.207155526453262
Energy: 2.2331522368892296
Energy: 2.1028005579582016
Energy: 2.10879306461989
Energy: 2.2365986152027277
Energy: 1.9660371691310108
Energy: 2.230825201983258
Energy: 2.170311201787852
Energy: 2.1040645681586145
Energy: 2.1733927804441393
Energy: 2.175010167741577
Energy: 1.9627350895725884
Energy: 2.1090147001989803
Energy: 2.220464139415802
Energy: 1.992873184401654
Energy: 2.0938245232332546
Energy: 1.9623010080570586
Energy: 1.9617086757309152
Energy: 1.9636029377895683
Energy: 2.197880796243237
Energy: 1.9921798010957026
Energy: 1.9628938511654876
Energy: 1.9618231884309554
Energy: 1.9639140764933598
Energy: 1.9616445261343523
Energy: 2.1025214744829905
Energy: 1.9642601210801727
Energy: 2.106152805264378
Energy: 1.9614360728098021
Energy: 1.9641345450075696
Energy: 1.9629398803927751
Energy: 2.1981220319742976
Energy: 1.964098165978304
Energy: 1.9630761458424346
Energy: 1.9656832749656346
Energy: 2.0148342614665586
Energy: 1.9664556972174636
Energy: 2.110116366337841
Energy: 1.9741887421704054
Energy: 2.0145367698590895
Energy: 2.013205836613597
Energy: 1.9638443956387739
Energy: 2.013253869361357
Energy: 1.9726519879353537
Energy: 1.9651340190785134
Energy: 1.9944284104549632
Energy: 1.9633721841231806
Energy: 1.9620568870660713
Energy: 2.0768404929917015
Energy: 2.129236786001706
Energy: 1.9333677309940123
Energy: 1.961486512783443
Energy: 1.9592784778293415
Energy: 1.9637648293492294
Energy: 1.9635292856226048
Energy: 2.163140105961332
Energy: 1.9672406345012146
Energy: 1.9638107269575742
Energy: 1.9598379798529433
Energy: 1.963888851569127
Energy: 1.9630797277293959
Energy: 1.9683401395921198

minimum gb energy = 1.9333677309940123 eV
minimum distance =  2.51541668485764 Angstroms
sigma value = 33


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

Energy: 1.6366124405287086
Energy: 1.5615817026377252
Energy: 1.4493120384326197
Energy: 1.4537756631781042
Energy: 1.5594934112051688
Energy: 1.8610423388887651
Energy: 1.4481319320610195
Energy: 1.6598723494180052
Energy: 1.4322621873255332
Energy: 1.576338258933588
Energy: 1.4340018563490087
Energy: 1.6569723333663104
Energy: 1.7790018555535327
Energy: 1.6554347631396933
Energy: 1.4402336883255935
Energy: 1.447436775983946
Energy: 1.4335643579581603
Energy: 1.8421107997610806
Energy: 1.5093650556212421
Energy: 1.6651559105633507
Energy: 1.441302281074661
Energy: 1.4472820896224226
Energy: 1.448231767953051
Energy: 1.859211630095181
Energy: 1.512594738230231
Energy: 1.6582106658649496
Energy: 1.4414714904080732
Energy: 1.4352101675218163
Energy: 1.4406464284309686
Energy: 1.8739280872995228
Energy: 1.450951247716941
Energy: 1.8517020409255283
Energy: 1.7734968049875681
Energy: 1.6861313999544638
Energy: 1.6489433456982332
Energy: 1.8784626288228428
Energy: 1.4367157378234934
Energy: 1.8599358592426019
Energy: 1.8541206601872875
Energy: 1.679732668317226
Energy: 1.852515892273941
Energy: 1.8565039387819668
Energy: 1.5116199407923834
Energy: 1.8436628341127312
Energy: 1.652062284087727
Energy: 1.6778769972980183
Energy: 1.8459501889775765
Energy: 1.8589960209343774
Energy: 1.4551474372493705
Energy: 1.85650381676363
Energy: 1.8549834037412367
Energy: 1.6523004773065613
Energy: 1.8701825436356978
Energy: 1.856428337056607
Energy: 1.6461151638267082
Energy: 1.8671866229588527
Energy: 1.8714380675228894
Energy: 1.8636882806924207
Energy: 1.855003141459682
Energy: 1.863762448755497
Energy: 1.4591929065238454
Energy: 1.8883816930480797
Energy: 1.8615477860275333
Energy: 1.8603108258400858
Energy: 1.8633829504242834
Energy: 1.8671693131851632
Energy: 1.4671616316947869
Energy: 1.864909272076608
Energy: 1.8667554054218722
Energy: 1.6886300487646482
Energy: 1.8960220027084416
Energy: 1.8603756082361416
Energy: 1.4356690969578632
Energy: 1.9035325684098179
Energy: 1.8608711401681588
Energy: 1.8569928697631184
Energy: 1.864121505677261
Energy: 1.6499682283604789
Energy: 1.4303308398771928
Energy: 1.651991675064168
Energy: 1.846118362119363
Energy: 1.8790744758065685
Energy: 1.8444242329230107
Energy: 1.6577023763438328
Energy: 1.4777091018947663
Energy: 1.8448810143709289
Energy: 1.8553389171882584
Energy: 1.8699913703851865
Energy: 1.8607447198216154
Energy: 1.8985959397449235
Energy: 1.4338902640304143
Energy: 1.6484424830590474
Energy: 1.841291461916417
Energy: 1.8759177736678658
Energy: 1.6513891457996075
Energy: 1.647553037468978
Energy: 1.426114332796957
Energy: 1.4430015519472434
Energy: 1.9114584080264512
Energy: 1.8853548376476739
Energy: 1.7538411134570406
Energy: 1.438309407368479
Energy: 1.4477848957493449
Energy: 1.432380065552302
Energy: 1.6496239181719916
Energy: 1.8676202217055295
Energy: 1.6543574569201067
Energy: 1.43913680887606
Energy: 1.4518510180805166
Energy: 1.438633082791952
Energy: 1.845956818006461
Energy: 1.8786606103221652
Energy: 1.6606979179910215
Energy: 1.4371136752186027
Energy: 1.4254471840524738
Energy: 1.432229559230288
Energy: 1.4460070669812888
Energy: 1.8693032488452843
Energy: 1.44092195856736
Energy: 1.4467720485714854
Energy: 1.4540260531339206
Energy: 1.4403173431841405
Energy: 1.4761353104692805
Energy: 1.9019011632499419
Energy: 1.572430656580838
Energy: 1.4465834902819377
Energy: 1.4517127140730415
Energy: 1.432691760995112
Energy: 1.8577303367555922
Energy: 1.859705873454917
Energy: 1.441835778048391
Energy: 1.4465491276878195
Energy: 1.4374247376738627
Energy: 1.4353226075699552
Energy: 1.6628432449235282
Energy: 1.8527955744313707
Energy: 1.4418716752284815
Energy: 1.4356314611982373
Energy: 1.454281656892874
Energy: 1.447819806770575
Energy: 1.4998738349931093
Energy: 1.876056361482832
Energy: 1.5625273956376222
Energy: 1.4472027179481444
Energy: 1.4229210116465114
Energy: 1.545911056936444
Energy: 1.6635505546434388
Energy: 1.8766888204740184
Energy: 1.4435516113431364
Energy: 1.439912936793511
Energy: 1.4687983955023949
Energy: 1.4408946631965398
Energy: 1.8453466941092687
Energy: 1.882526285779058
Energy: 1.6600302284330961
Energy: 1.441700615930098
Energy: 1.8554096017607116
Energy: 1.4414433062517058
Energy: 1.6563999046077813
Energy: 1.8706996355971173
Energy: 1.6657304573561584
Energy: 1.44102148598581
Energy: 1.4314050585542066
Energy: 1.4422503898021828
Energy: 1.8524191084804114
Energy: 1.8777073715239208
Energy: 1.4373236408218808
Energy: 1.4362813692856837
Energy: 1.4435707413238215
Energy: 1.6471845990541016
Energy: 1.8536161681107164
Energy: 1.8688507450251461
Energy: 1.654219950264172
Energy: 1.6604539158913272
Energy: 1.5205660143743145
Energy: 1.8526538186321757
Energy: 1.8555428215544718
Energy: 1.855191836757439
Energy: 1.8600391318715652
Energy: 1.8612373335405779
Energy: 1.5184233519484205
Energy: 1.653156443627568
Energy: 1.858997484040705
Energy: 1.8973460497157162
Energy: 1.8434743356793664
Energy: 1.6499417969654795
Energy: 1.4384683875725246
Energy: 1.851897775091354
Energy: 1.8582593470469961
Energy: 1.85097090026242
Energy: 1.8607058079639305
Energy: 1.8981307167412897
Energy: 1.4448205408593295
Energy: 1.8622142473982037
Energy: 1.8628609134307452
Energy: 1.8606414299504463
Energy: 1.855621033636883
Energy: 1.8635421592441794
Energy: 1.4443006572385795
Energy: 1.8604448558389073
Energy: 1.8654836752960666
Energy: 1.8615960708119035
Energy: 1.8563449722543681
Energy: 1.8619983914656986
Energy: 1.6462112916607643
Energy: 1.861359130590456
Energy: 1.8634459920841968
Energy: 1.8615556846266892
Energy: 1.857088011325219
Energy: 1.858452066753477
Energy: 1.457118003406493
Energy: 1.8589171361053283
Energy: 1.851995428721156
Energy: 1.8521500533793103
Energy: 1.8624156634684235
Energy: 1.8582002804544673
Energy: 1.4820158832738222
Energy: 1.8420708959159322
Energy: 1.6543001065534895
Energy: 1.4370769734904036
Energy: 1.847489305371945
Energy: 1.8682374702741893
Energy: 1.4516893503168682
Energy: 1.8579367708403784
Energy: 1.8546728867842162
Energy: 1.7011912471084747
Energy: 1.8574992753358173
Energy: 1.855490272304271
Energy: 1.779065650221926
Energy: 1.6521227696369611
Energy: 1.652976945521308
Energy: 1.432840442618275
Energy: 1.6491053441858716
Energy: 1.851925809651834
Energy: 1.4923556287579298
Energy: 1.4346787315141707
Energy: 1.4417158644812433
Energy: 1.4328136905856594
Energy: 1.4422361689028964
Energy: 1.8865234005560896
Energy: 1.499410112293272
Energy: 1.657214979715066
Energy: 1.4401501957646983
Energy: 1.4575159271261926
Energy: 1.4405347438604037
Energy: 1.6618375733759525
Energy: 1.7782642901863575
Energy: 1.6568734445159445
Energy: 1.561647167027355
Energy: 1.4591187042133296
Energy: 1.4409279461775568
Energy: 1.6504817281144628
Energy: 1.8373507042329484
Energy: 1.439269050437659
Energy: 1.5475276510526284
Energy: 1.433544945422779
Energy: 1.547706835665691
Energy: 1.8417761444501548
Energy: 1.5735753268049286
Energy: 1.5670204975584083
Energy: 1.4476686332474502
Energy: 1.4534121765712027
Energy: 1.5617645875150528
Energy: 1.897279486674795
Energy: 1.7899040441444989
Energy: 1.4396049154327186
Energy: 1.4299206624843583
Energy: 1.440459178662515
Energy: 1.4319161038171364
Energy: 1.845321998486869
Energy: 1.7792683357114278
Energy: 1.6699554374538614
Energy: 1.44040882939994
Energy: 1.4507647845238076
Energy: 1.4406285984970681
Energy: 1.8446929646711812
Energy: 1.5030591137340332
Energy: 1.4433616352982515
Energy: 1.4467980541097407
Energy: 1.451268513351334
Energy: 1.4449248602765947
Energy: 1.8774057073287727

minimum gb energy = 1.4229210116465114 eV
minimum distance =  2.52740898617554 Angstroms
sigma value = 67


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

Energy: 0.33342045803447207
Energy: -2.1979621914347933
Energy: -2.2719293792610995
Energy: -2.2361563951655294
Energy: -2.2535447744553343
Energy: 0.331609752445658
Energy: -2.3178874364881183
Energy: -2.279710020166812
Energy: -2.28077017330049
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Energy: -2.2792862688725175
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Energy: -2.2912051815322725
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Energy: -2.308038294058442
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Energy: -3.516032633159926
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Energy: -2.2700042624412586
Energy: -2.2444028529095
Energy: -2.3205139710706724
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Energy: -2.3287082716613825
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Energy: -2.351117608616818
Energy: -2.2551393246190266
Energy: -2.3317847720663734
Energy: -2.2947992827546435

minimum gb energy = -3.516032633159926 eV
minimum distance =  2.59836957622969 Angstroms
sigma value = 3


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

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Energy: 1.6737691213743213
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Energy: 1.656603346176711
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Energy: -3.3265130399512852
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Energy: 1.849737648165629
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Energy: 1.8421987519210175
Energy: -2.927211705767681
Energy: 1.8442782005045975
Energy: 1.6700766883891156
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Energy: 1.667563959629374
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Energy: -1.9560806585755617
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Energy: -3.7278379743851655
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Energy: -2.9441814025927044
Energy: 1.6508860279607829
Energy: -3.5551497783007466
Energy: 1.6509885043025858
Energy: 1.8608882507669169

minimum gb energy = -4.629214175813738 eV
minimum distance =  2.5343036474419 Angstroms
sigma value = 81


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

Energy: 1.6363955486210047
Energy: 1.9599860782184375
Energy: 1.6577831074316747
Energy: 1.6623613114578029
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Energy: 2.197972283965655
Energy: 1.6033352386975213
Energy: 2.215782355208009
Energy: 1.9895064548542438
Energy: 1.6499374606400485
Energy: 1.988717018340609
Energy: 2.1653536919644534
Energy: 1.657762034294976
Energy: 2.239529229654313
Energy: 1.9561636423822577
Energy: 1.6560537769931516
Energy: 1.956650933670482
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Energy: 1.654429721305702
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Energy: 1.9590356682965195
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Energy: 1.9561268562859067
Energy: 1.9586739991085167
Energy: 1.651304775125529
Energy: 1.9591138210998795
Energy: 2.2456363161798985

minimum gb energy = 1.6033352386975213 eV
minimum distance =  2.55077704126543 Angstroms
sigma value = 43


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

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Energy: -0.7949802170610513
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Energy: 0.3912628665353707
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Energy: 2.525815007503388
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Energy: 0.41177331645336024
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Energy: -1.133038092731221
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Energy: 0.4943845872101084
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Energy: -1.301244519361333
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Energy: -0.21828537275571408
Energy: -0.7919054782053583
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Energy: -1.0883868228761633
Energy: -0.9781462816294203
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Energy: 0.3604106627053687
Energy: -1.4541045708940883
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Energy: -0.9513304675839962
Energy: -0.7877480770301862
Energy: 0.3735475968337069
Energy: -0.4009777095644065
Energy: -0.8572937105046683
Energy: 2.4979946614616924
Energy: -1.297806379466775
Energy: -0.7837839685479071
Energy: 0.4601011320760779
Energy: 0.6633833174632275
Energy: -0.8488825637527875
Energy: -0.43134630342544167
Energy: -0.47928435719203116
Energy: -0.42768702225284777
Energy: -0.42009197196804654
Energy: -1.246519070197152
Energy: -1.4448560862847808
Energy: 0.10210731794005472
Energy: -1.1388460747631997
Energy: -0.8484635996058635
Energy: -0.854635441263266
Energy: -0.8572684541849387
Energy: -0.8616434332119607
Energy: 0.32952268851778205
Energy: -0.2806857569731097
Energy: 0.5212997096557905
Energy: -0.8497070378052768
Energy: -1.2452863555332443
Energy: -0.7928807498209801
Energy: 0.530782562516029
Energy: -1.2006446661078776
Energy: -0.7903304728826278
Energy: -0.7927194269835232
Energy: -0.8490024740195381
Energy: -0.7920280944226962
Energy: 0.2548492678729145

minimum gb energy = -1.5898496500425279 eV
minimum distance =  2.47488168975157 Angstroms
sigma value = 57


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

Energy: 3.9797069333193122
Energy: 2.040907669374782
Energy: 2.0324958135098896
Energy: 2.027210416977505
Energy: 2.0427749743104524
Energy: 2.0249564473250006
Energy: 2.011691066740578
Energy: 2.044188743633611
Energy: 2.012310774543651
Energy: 2.00884031371399
Energy: 2.012613146069028
Energy: 2.813714177220389
Energy: 2.0104206606971013
Energy: 2.0441463186702213
Energy: 2.0105034830563846
Energy: 2.0065045940770148
Energy: 2.010836030915574
Energy: 2.049655379245186
Energy: 1.9844242030464425
Energy: 2.0452425146939848
Energy: 2.0167854289803593
Energy: 2.0163470467825304
Energy: 2.0189244254987035
Energy: 1.9786267947139746
Energy: 1.983499694432755
Energy: 2.045544022636907
Energy: 2.031760258661503
Energy: 2.0244741443759935
Energy: 2.046746504239245
Energy: 1.9771067154036426
Energy: 2.0115612153051474
Energy: 2.0482834051066847
Energy: 2.043652438726003
Energy: 2.036446191510749
Energy: 2.0446015376623174
Energy: 2.8010163079127777
Energy: 2.014335068891741
Energy: 2.806269054577909
Energy: 2.047614465438559
Energy: 2.0168469473463913
Energy: 2.044223086509793
Energy: 2.5708922472397737
Energy: 1.9855963672329695
Energy: 2.771680556537716
Energy: 2.578328143122745
Energy: 2.0152105158249896
Energy: 2.824593956290216
Energy: 2.047908486366427
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Energy: 2.814071118606195
Energy: 2.004410421108725
Energy: 2.007032571037253
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Energy: 2.583118844996836
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Energy: 2.0298951366189817
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Energy: 1.983049298480179
Energy: 2.045118560667375
Energy: 2.0231570006371222
Energy: 2.016644095032766
Energy: 2.0193974309928504
Energy: 2.0197890166393755
Energy: 2.011640950388181
Energy: 2.0459885263746322
Energy: 2.017201230021115
Energy: 2.005295386544359
Energy: 2.0106771151503344
Energy: 2.823500593723261
Energy: 2.0120963144757007
Energy: 2.0167452334654543
Energy: 2.011068795250444
Energy: 2.006952042211127
Energy: 2.012029099664099
Energy: 2.0454296425895464
Energy: 2.0130244314697885
Energy: 2.0433884136060065
Energy: 2.011568217131923
Energy: 2.02208384215141
Energy: 2.02304962442634
Energy: 1.9772429766294672
Energy: 1.9931446824062486
Energy: 2.0446565485907984
Energy: 2.0206067594872734
Energy: 2.0263797057042527
Energy: 2.0491551086894675
Energy: 2.0461260310650853
Energy: 2.0153995142215297
Energy: 2.044753741838333
Energy: 2.024363777385798
Energy: 2.022914831480573
Energy: 2.048102046452165
Energy: 2.79549661409764
Energy: 2.0122981456882694
Energy: 2.0438338913390335
Energy: 2.0258139363266467
Energy: 2.014228845848137
Energy: 2.043415771672885
Energy: 2.548256928060304
Energy: 2.0259715895596377
Energy: 2.791674799481704
Energy: 2.037093105244453
Energy: 2.015676336528355
Energy: 2.560293469327775
Energy: 2.0441310263427983
Energy: 2.0237598770498657
Energy: 2.794826848758719
Energy: 2.5673584323392835
Energy: 2.0016292096300305
Energy: 2.5486977716660393
Energy: 2.5770024347779166
Energy: 2.014963331203668
Energy: 2.5706763095597966
Energy: 2.0013185739366564
Energy: 2.012859237249712
Energy: 2.8057486063464983
Energy: 2.043422337408268
Energy: 2.0199006676347704
Energy: 2.045286669386535
Energy: 2.5696249969276654
Energy: 2.010768905422604
Energy: 2.047834148479744
Energy: 2.04191386706151
Energy: 2.0263656492494535
Energy: 2.0430395547367906
Energy: 2.812211783195418
Energy: 1.9787551462052566
Energy: 2.0452126743003394
Energy: 2.0388734397297106
Energy: 2.0243490949768153
Energy: 2.0464887830934204
Energy: 2.8276168718261587

minimum gb energy = 1.9771067154036426 eV
minimum distance =  2.55343223801753 Angstroms
sigma value = 17


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

Energy: 5.431146544155237
Energy: 2.329599544318338
Energy: 2.322297910333329
Energy: 2.3172155977064
Energy: 2.3224911760225213
Energy: 3.3478071067044404
Energy: 2.311240775306896
Energy: 2.330338641460447
Energy: 2.3021626335268017
Energy: 2.301718309151992
Energy: 2.3021864312664446
Energy: 2.3177592818383084
Energy: 2.3086559071217714
Energy: 2.331428839514755
Energy: 2.300278450848071
Energy: 2.2979482163716005
Energy: 2.3006806312820016
Energy: 2.318479662994005
Energy: 2.2709890039170073
Energy: 2.3309069540305574
Energy: 2.3087144976486047
Energy: 2.3095595297475544
Energy: 2.3109564483167313
Energy: 2.516800395015856
Energy: 2.270064945857112
Energy: 2.520657159910969
Energy: 2.3193456395160696
Energy: 2.314720894313758
Energy: 2.3278281535348873
Energy: 2.517467714772792
Energy: 2.310599800809452
Energy: 2.518515155041095
Energy: 2.3296103537895445
Energy: 2.285487446240721
Energy: 2.3311322755783803
Energy: 2.3207215302654434
Energy: 2.3165693622308874
Energy: 2.3289524804754147
Energy: 2.318476787564891
Energy: 2.3124804109118653
Energy: 2.5150252814454253
Energy: 2.316756734497692
Energy: 2.320681311862479
Energy: 2.3293233314905115
Energy: 2.327114858511969
Energy: 2.3112855830233654
Energy: 2.3296521802751515
Energy: 2.3141094289906268
Energy: 2.3182132993687854
Energy: 2.3286038390950683
Energy: 2.2921656053445565
Energy: 2.2904483946943253
Energy: 2.330226578288775
Energy: 2.317624739960003
Energy: 2.3034588956816426
Energy: 2.3055752420868125
Energy: 2.5199095596429033
Energy: 2.288429006421483
Energy: 2.3220050783776642
Energy: 2.304495240443961
Energy: 2.295771018067311
Energy: 2.2996096162422144
Energy: 2.3290026889753817
Energy: 2.3090941161463028
Energy: 2.306003443915009
Energy: 2.29978085023476
Energy: 2.3056194010937996
Energy: 2.3054756413361663
Energy: 2.5186159206549705
Energy: 2.2718976452224657
Energy: 2.3307308486877942
Energy: 2.3052285675674495
Energy: 2.317552119720564
Energy: 2.3312412804127383
Energy: 2.519483751089638
Energy: 2.27240644109553
Energy: 2.3307845147156923
Energy: 2.318646853170967
Energy: 2.2862633962077012
Energy: 2.3297549023907225
Energy: 2.5203823028339505
Energy: 2.310446660243465
Energy: 2.3300696471219697
Energy: 2.2809216522890114
Energy: 2.314318410507608
Energy: 2.328849896044401
Energy: 2.3182384092495996
Energy: 2.3149870377044404
Energy: 2.5130071342997997
Energy: 2.3187866500518393
Energy: 2.310272260896207
Energy: 2.521787382939207
Energy: 2.3294045336236704
Energy: 2.3151940776452764
Energy: 2.3308561631964513
Energy: 2.3108575539069562
Energy: 2.284878066581313
Energy: 2.522697910890999
Energy: 2.3313782174319893
Energy: 2.318824502864126
Energy: 2.330180091276515
Energy: 2.287355285380726

minimum gb energy = 2.270064945857112 eV
minimum distance =  2.5435189148364 Angstroms
sigma value = 17


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

Energy: 6.5426000257842585
Energy: 2.1069190765613595
Energy: 2.109576862440891
Energy: 2.1091886956150585
Energy: 2.111867252662091
Energy: 2.114394553885028
Energy: 2.295344368088917
Energy: 2.295192090747338
Energy: 2.2968076982839443
Energy: 2.295519725174751
Energy: 2.297063721932818
Energy: 2.280059073650877
Energy: 2.300383049281498
Energy: 2.3046066646291243
Energy: 2.2973347335354815
Energy: 2.2958464473190863
Energy: 2.296474569503227
Energy: 2.106864958037016
Energy: 2.7713286550032072
Energy: 2.2644487173705206
Energy: 2.300051771577942
Energy: 2.3028986011755816
Energy: 2.3008052992109764
Energy: 2.3050032636392475
Energy: 2.308076876970116
Energy: 2.30908432078282
Energy: 2.307141617891213
Energy: 2.3075542898892647
Energy: 2.3065416181203124
Energy: 2.305466764546469
Energy: 2.305903267978435
Energy: 2.301056844610101
Energy: 2.1001833507380776
Energy: 2.101118487089421
Energy: 2.2656872317582297
Energy: 2.3003479851598763
Energy: 2.2953520937063736
Energy: 2.298030041130644
Energy: 2.3075103529973098
Energy: 2.303179684749593
Energy: 2.2998895852470973
Energy: 2.297228282307364
Energy: 2.2941809728766054
Energy: 2.2965297948775047
Energy: 2.2958794252522843
Energy: 2.2983437901558843
Energy: 2.295599900541583
Energy: 2.2960574887646517
Energy: 2.3009277667605574
Energy: 2.298257833151042
Energy: 2.4487833749623635
Energy: 2.8947038879904965
Energy: 2.3004913897472616
Energy: 2.298176237669323
Energy: 2.972691976269359
Energy: 2.2977206061437427
Energy: 2.297336874923884
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Energy: 2.2970994630562944
Energy: 2.4209193509753986
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Energy: 2.1083869639471122
Energy: 2.2989298751903355
Energy: 2.8746079667323134
Energy: 2.296703172536386
Energy: 3.0487662631229537
Energy: 2.298852486457463
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Energy: 2.113249864220605
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Energy: 2.505601981923866
Energy: 2.105877478373495
Energy: 2.1048485609463015
Energy: 2.1152006991867904
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Energy: 2.1075043448672544
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Energy: 2.4969933665627075
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Energy: 2.1043780851224403
Energy: 2.1057817457109964
Energy: 2.1042878138270353
Energy: 2.473389424285899
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Energy: 2.103458452111664
Energy: 2.103982810292465
Energy: 2.103533956501015
Energy: 2.10428560555533
Energy: 2.108711929065738
Energy: 2.308470888592501
Energy: 2.106279985262319
Energy: 2.1052744115796043
Energy: 2.1077370371277655
Energy: 2.1055639721828303
Energy: 2.302481174747023
Energy: 2.30838239940391
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Energy: 2.304862216256452
Energy: 2.5040962373235165
Energy: 2.8753666647081553
Energy: 2.104916303803365
Energy: 2.1012542294564223
Energy: 2.1049245835553343
Energy: 2.3024942912976742
Energy: 2.970308575949365
Energy: 2.296890150386278
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Energy: 2.671051209091833
Energy: 2.727608850935754
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Energy: 2.42246902194313
Energy: 2.2955641221906076
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Energy: 2.2976630529849387
Energy: 2.298015417421382
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Energy: 2.299226717669957
Energy: 2.2968036975309527
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Energy: 2.2641852726246605
Energy: 2.3037252327615194
Energy: 2.27605965977626
Energy: 2.2659047021845793
Energy: 2.3024413242143007
Energy: 2.1203752235248112
Energy: 2.265169964738402
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Energy: 2.109683309507833
Energy: 2.2967310049674445
Energy: 2.297598322198808
Energy: 2.2972724682917973
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Energy: 2.2951049321398544
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Energy: 2.7490597692092167
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Energy: 2.2984883662512954
Energy: 2.966023031969262
Energy: 2.2976502694524954
Energy: 2.1053462741436952
Energy: 2.352197208573343
Energy: 2.1053253859447203
Energy: 2.30093357317047
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Energy: 2.7336170316421713
Energy: 2.1054600780539605
Energy: 2.1187862182856274
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Energy: 2.4990010017282636
Energy: 2.1061811017222625
Energy: 2.106240319571884
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Energy: 2.105305003073709
Energy: 2.4580931322263204
Energy: 2.105683603291029
Energy: 2.1053012753332996
Energy: 2.1050592780425768
Energy: 2.1006948306566655
Energy: 2.104125748849164
Energy: 2.809197352334103
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Energy: 2.1032976111492605
Energy: 2.1037305429782847
Energy: 2.103700090324602
Energy: 2.104312499352579
Energy: 2.4588544229592237
Energy: 3.051864285342289
Energy: 2.1041581626777557
Energy: 2.1042247117377064
Energy: 2.1145273069381454
Energy: 2.1094132727877595
Energy: 2.302015222067282
Energy: 2.3182771201998444
Energy: 2.1077353278427813
Energy: 2.1089973573831866
Energy: 2.65641567698603
Energy: 2.1045788424434093
Energy: 2.460670882809355
Energy: 2.5054030366494815
Energy: 2.1058429669264056
Energy: 2.104665133067893
Energy: 2.6726798024359875
Energy: 2.1052720271824117
Energy: 2.298874547697661
Energy: 2.9598419754699052
Energy: 2.878254336269847
Energy: 2.1046973151510384
Energy: 2.7406959769612436
Energy: 3.175176405237982
Energy: 2.295891296248351
Energy: 2.296391101860378
Energy: 2.2954358979793086
Energy: 2.1093517962262753
Energy: 3.0514173399116955
Energy: 2.2975936723907884
Energy: 2.2973194574123688
Energy: 2.9721241531480627
Energy: 2.297981292096582
Energy: 2.1008748805634094

minimum gb energy = 2.0999426724295556 eV
minimum distance =  2.5722788098399 Angstroms
sigma value = 57


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

Energy: -1.6837074229452111
Energy: -1.5378585003648186
Energy: -1.5426229912603096
Energy: -1.5564573360051281
Energy: -1.5435318579463275
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Energy: -1.5397399440053543
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Energy: -2.2772177653666934
Energy: -2.3209277679700038
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Energy: -2.321775652485991
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Energy: -2.1660215890557395
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Energy: -2.2490464056500974
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Energy: -2.316001910998783
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Energy: -2.248788027604882
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Energy: -0.5297231539484563
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Energy: -2.3467631504266406
Energy: -1.818875581646345
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Energy: -2.3146098679172065
Energy: -2.3147059636809875
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Energy: -2.344185765129471
Energy: -2.315673139147036
Energy: -2.320332867569923
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Energy: -0.16881882052700398
Energy: -1.5319820705682672
Energy: -0.48166613253790797
Energy: -2.3218148563558105
Energy: -2.319337680027063
Energy: -2.3209947010833787
Energy: -1.2273628885419332
Energy: -1.9788185992195249
Energy: -2.3194344160130593
Energy: -2.321519419392981
Energy: -2.313242959483568
Energy: -2.287995644914307
Energy: -0.14768193655597503
Energy: -1.1944107352919546
Energy: -1.8814264160117138
Energy: -2.2956104662812833
Energy: -2.1495186665709713
Energy: -0.4835489381074228
Energy: -1.517577168078415
Energy: -1.5545903233166032
Energy: -1.4717839257632417
Energy: -0.4833237178230756
Energy: -2.3265932185758786
Energy: -2.2893568382137355
Energy: -1.5344763717203187
Energy: 0.2969516228790286
Energy: -1.5339604353626886
Energy: -2.321425549996672
Energy: -2.1679818392093693
Energy: -1.539207331946777
Energy: -1.533838987459432
Energy: -1.5306106978042797
Energy: -1.5314661720323193
Energy: -2.287594848290563
Energy: -1.6187367684011833
Energy: -1.5734895556620907
Energy: -1.7942792212778063
Energy: -1.784175731883163
Energy: -1.5338974127601246
Energy: -2.275616808697762

minimum gb energy = -2.6491944218122137 eV
minimum distance =  2.5101578231788 Angstroms
sigma value = 43


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

Energy: 3.7603772297516196
Energy: 1.3779506116108233
Energy: 1.3780961413478832
Energy: 1.3772243147439223
Energy: 1.3768122849599325
Energy: 3.5642805927658094
Energy: 2.3093733092031754
Energy: 2.4769057910508097
Energy: 2.4764463085419313
Energy: 2.4773007407765686
Energy: 2.476701443065782
Energy: 2.482141803422137
Energy: 2.6969020102338166
Energy: 2.4747511459177622
Energy: 2.4755787011461594
Energy: 2.476474564013638
Energy: 2.4763974480471806
Energy: 2.4782339142470624
Energy: 2.6401707085024038
Energy: 2.9535425829418274
Energy: 2.48051771687117
Energy: 2.48228158996144
Energy: 2.484441444614384
Energy: 2.3077970329691078
Energy: 2.702565627550245
Energy: 2.94940616112256
Energy: 2.4756174982218635
Energy: 2.6424407356281834
Energy: 2.9402702983590885
Energy: 2.305701850671815
Energy: 2.3078728630562635
Energy: 2.311389545153746
Energy: 3.463379271892282
Energy: 2.3035675500950283
Energy: 2.9376960751994954
Energy: 2.3109859823906014
Energy: 2.305747891163615
Energy: 2.303748067619731
Energy: 2.475922139110671
Energy: 2.47867934282971
Energy: 2.304472055731277
Energy: 2.304102558329944
Energy: 2.304128730029841
Energy: 2.3033934663440716
Energy: 2.476291084763013
Energy: 2.47860675863309
Energy: 2.303833575198681
Energy: 2.303623418712324
Energy: 2.307197491109626
Energy: 2.3105437962299473
Energy: 2.936674312175496
Energy: 2.303664109118113
Energy: 2.938153494827426
Energy: 2.3099203656872023
Energy: -0.03659005951725978
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Energy: 2.475190303178208
Energy: 1.1692435111098032
Energy: 2.9393003438797987
Energy: 2.3059945292435686
Energy: 2.6496899264676883
Energy: 2.9545287622221155
Energy: 2.480044374139999
Energy: 2.4819719895012122
Energy: 2.480330822634857
Energy: 2.302428050057275
Energy: 2.695486744814303
Energy: 2.473984396568794
Energy: 2.475925140059574
Energy: 2.47648002155403
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Energy: 2.476816332056117
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Energy: 2.4772402349189098
Energy: 2.480052702780738
Energy: 2.696764612682582
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Energy: 2.7027261486403398
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Energy: 2.3066970057409417
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Energy: 1.3767987989333863
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Energy: 2.942710151753038
Energy: 2.475185198077639
Energy: 2.646996501133644
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Energy: 2.3116413887835625
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Energy: 2.3101886592405836
Energy: 2.3045269955617647
Energy: 2.4784475774734003
Energy: 2.305197587713368
Energy: 2.303568689531032
Energy: 2.3081845465801343
Energy: 2.303716155403483
Energy: 1.1657708473362942
Energy: 2.479209999611483
Energy: 2.3046516185114125
Energy: 2.3033235652880557
Energy: 2.306696318605006
Energy: 2.3034069369655747
Energy: 1.1643414148400735
Energy: 2.6823042995078947
Energy: 2.9376194698739475
Energy: 2.3103606261272605
Energy: 2.307669907449516
Energy: 2.3102126337578457
Energy: 2.3024846828952525
Energy: -0.3867245274264021
Energy: 2.475256261844445
Energy: 2.3061420259177505
Energy: 2.699263897151149
Energy: 2.941205254272371
Energy: 2.475595710524718
Energy: 2.4821131944975887
Energy: 2.4798324303801698
Energy: 2.95479214588769
Energy: 2.3030899485434717
Energy: 2.946763956881436
Energy: 2.480797972876798
Energy: 2.4766024960919015
Energy: 2.4758633993466685
Energy: 2.3086984035887728
Energy: 2.6953388542306205
Energy: 2.4810871810267585
Energy: 2.475885312119765
Energy: 2.476720565494436
Energy: 2.475922974936778
Energy: 2.4764235973562676
Energy: 2.4785599251994
Energy: 2.476181670626887
Energy: 2.475944023508317
Energy: 2.482302295223793
Energy: 2.482227672399218
Energy: 2.949479019064762
Energy: 2.303615295721656
Energy: 2.4815431555127154
Energy: 2.482355397204572
Energy: 2.701212618403948
Energy: 2.4772797809813034
Energy: 2.477671437930945
Energy: 2.47340399772804
Energy: 2.477253587586755
Energy: 2.477311847281228
Energy: 2.6393234879967045
Energy: 2.475676874985727
Energy: 2.4801279192297945
Energy: 2.696809380792567
Energy: 3.124804395680062
Energy: 2.47597343479568
Energy: 2.696906263882634
Energy: 2.479108438468306
Energy: 2.4767268183085367
Energy: 2.4786950188769667
Energy: 2.476835170690227
Energy: 2.4795779010075445
Energy: 1.3769523203681977
Energy: 2.4772512706622014
Energy: 2.477230725474027
Energy: 2.4787752009798547
Energy: 2.4767882864264514
Energy: 3.5287072863602327

minimum gb energy = -0.3867245274264021 eV
minimum distance =  2.52306336881884 Angstroms
sigma value = 81


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

Energy: 2.642386211444315
Energy: 2.8590855941713853
Energy: 2.8577360903609232
Energy: 2.8584020589264187
Energy: 2.8597012299960327
Energy: 2.642747867299645
Energy: 2.652671866563737
Energy: 2.8596368706545494
Energy: 2.6525179746278913
Energy: 2.6517122638260857
Energy: 2.6520800451665263
Energy: 2.8591288846972884
Energy: 2.8626909605108346
Energy: 2.8590895154193587
Energy: 2.6523224023004164
Energy: 2.6516921487110054
Energy: 2.6528039322516417
Energy: 2.8583719563925376
Energy: 2.858070166681121
Energy: 2.859319889706732
Energy: 2.6532346639561806
Energy: 2.6521363059071423
Energy: 2.85913749243381
Energy: 2.8592019332932876
Energy: 2.857968293787449
Energy: 2.8650951206556936
Energy: 2.8591738419777553
Energy: 2.6428753576653286
Energy: 2.862316276844468
Energy: 2.8596686354972793
Energy: 2.6525916267831358
Energy: 2.651989324232259
Energy: 2.6426403686097557
Energy: 2.6458956840981798
Energy: 2.8592410829592296
Energy: 2.6526781588360335
Energy: 2.6517734049493416
Energy: 2.652505518245364
Energy: 2.8589219551694804
Energy: 2.8581453882445667
Energy: 2.8631536478086113
Energy: 2.652559586300688
Energy: 2.6518110940640915
Energy: 2.6524980266459504
Energy: 2.8590628849658484
Energy: 2.858534144852778
Energy: 2.865480838777794
Energy: 2.6536500856524916
Energy: 2.652316975178526
Energy: 2.6521006276809107
Energy: 2.859859865160289
Energy: 2.860115159582402
Energy: 2.85953353072159
Energy: 2.6527765034074022
Energy: 2.642727121950149
Energy: 2.8594449594327207
Energy: 2.859596459620117
Energy: 2.8582119152285363
Energy: 2.8611740849122835
Energy: 2.859235248683154

minimum gb energy = 2.642386211444315 eV
minimum distance =  2.54054461914618 Angstroms
sigma value = 3


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

Energy: 0.7153101231743977
Energy: 0.7810266216038829
Energy: 0.21220802149023757
Energy: 0.24020982367171054
Energy: 0.6316778869044336
Energy: 0.2108638216926381
Energy: -1.091881229704982
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Energy: 0.09773408800885763
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Energy: 0.3235799603875542
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Energy: 0.7229305343907959
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Energy: -0.427052606239667
Energy: 0.6279933803606822
Energy: 0.6105960402716425
Energy: 0.5142800444612863
Energy: 0.49588143273463264
Energy: 0.33051541495723064
Energy: 0.4674938455534614
Energy: 0.46389175569893265
Energy: 0.31568178237619643
Energy: 0.49357319604248784
Energy: -0.42353823613453345
Energy: 0.4694810118379438
Energy: -0.4290687210650803
Energy: 0.2891037521222757
Energy: 0.6159110166526127
Energy: 0.25972670462418523
Energy: -0.03469898299778049
Energy: 0.09908796600785855
Energy: 1.4365015200484401
Energy: 0.5686885655394712
Energy: 0.7172649988236006
Energy: 0.710366655846907
Energy: 0.21308122468907462
Energy: 0.2165739763187204
Energy: 0.21552727886201933
Energy: 0.7115957336230134
Energy: 0.49814617339201944
Energy: 0.4841393414780148
Energy: 0.3791255344873593
Energy: 0.5397161507079444
Energy: 0.3815340079417053
Energy: 0.6919265332690008
Energy: 0.3408584617371891
Energy: 0.4055131912866165
Energy: 0.4779953163619288
Energy: -0.3188518071756041
Energy: 0.40755500587856147
Energy: 0.38891972470297903
Energy: 0.4314194276680856
Energy: 0.34498297666290795
Energy: 0.4199564796881033
Energy: 0.3806131072106597
Energy: 0.374940585380035
Energy: 0.35966897893675365
Energy: 0.9939603790364869
Energy: 0.4201420934985527
Energy: -0.03771019551054267
Energy: -0.35100287553911075
Energy: 0.5023859662105961
Energy: 1.6270220842099996

minimum gb energy = -1.091881229704982 eV
minimum distance =  2.54485710970303 Angstroms
sigma value = 67


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

Energy: 0.39431069140449077
Energy: -0.2943358965612513
Energy: -0.33417514639269885
Energy: -0.4358016579460064
Energy: -0.260979731091465
Energy: -0.7043252667422429
Energy: 0.4025095185754229
Energy: 0.4945661095892382
Energy: -0.18712236087546427
Energy: 0.21813252666066454
Energy: -0.6309108009547706
Energy: -0.3278386083999497
Energy: 0.6211063523357664
Energy: -0.5849739337306761
Energy: -0.5807680077221626
Energy: -0.27294250583097035
Energy: -0.47220284586987654
Energy: 0.56262273977447
Energy: 2.294694800513473
Energy: 0.6320771506580506
Energy: -0.23355116141619256
Energy: 0.31535378833626604
Energy: -0.31460405669027003
Energy: 2.185570407863885
Energy: 0.6475339721360108
Energy: 0.7025387241353646
Energy: 0.08255074528922045
Energy: -0.25100919791826465
Energy: -0.1293294203634141
Energy: 0.6218992775300671
Energy: -0.3798560245735883
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Energy: 1.5819512053918776
Energy: 0.36641074742453156
Energy: -0.32961826576143044
Energy: -3.1354417743838408
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Energy: -0.8260744741008867
Energy: -0.32535474232019945
Energy: -0.7996087617615474
Energy: 0.6230872424906404
Energy: 2.4456895467616886
Energy: -0.3674932209726195
Energy: -0.3376915457834641
Energy: -0.3064914297148758
Energy: -0.29270495047050743
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Energy: -0.5973634252767639
Energy: -0.0727439044131805
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Energy: -0.26171520658445613
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Energy: -0.41539297829247257
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Energy: -0.17423672364163278
Energy: -0.24439368919532936
Energy: 1.9472987016348404
Energy: -0.20316622686613006
Energy: -0.22894395362323347
Energy: 1.1586945713449124
Energy: -0.38038273190911703
Energy: 1.2259681639223317
Energy: -0.2550618225472278
Energy: 0.6000637720930478
Energy: -0.29162463541408956
Energy: 1.2659972402791047
Energy: -0.3141188865781969
Energy: 2.926426411048914
Energy: -0.24925388837146897
Energy: -1.1001034674881465
Energy: -0.2368481564048694
Energy: -0.35611361815254833
Energy: -0.254499657849149
Energy: 2.9332827826446293
Energy: -0.17471361741372154
Energy: 0.20944909334315226
Energy: 0.5225513282906649
Energy: 0.12301973046470499
Energy: 0.9614431693586718
Energy: -0.14820002038825014
Energy: -0.4252561977120515
Energy: -0.1648965072555212
Energy: 1.4864356145805322
Energy: 0.15671539041998847
Energy: -0.34340196887243557
Energy: -0.2640411539633081
Energy: 2.6527175028858343
Energy: -0.5065655693855888
Energy: 0.8730631431455759
Energy: 0.4395292536941525
Energy: 0.4262669042330738
Energy: 0.551989148694992
Energy: 2.023670277886042
Energy: -0.20545804061819156
Energy: 0.32689163061650744
Energy: 0.6100540517155897
Energy: 0.5436665111857671
Energy: 0.007288845665075325
Energy: 2.6564861583260155
Energy: 0.37443016902467635
Energy: 0.6258286005101164
Energy: 1.4317934501227956
Energy: 1.5184388035669916
Energy: 1.2769089346399372
Energy: -0.21591629291287764
Energy: 1.1872472432164864
Energy: 1.5057203108611834
Energy: 0.48702830178336315
Energy: 0.5652392880212019
Energy: 0.680605574079067
Energy: -0.18647160558671155
Energy: 0.5589720947065122
Energy: 0.590440064629089
Energy: -0.3915222904146003
Energy: 0.6284276430675192
Energy: -0.20355627609997104
Energy: -1.4094674738714748
Energy: -0.6274914856644686
Energy: -0.33090940364593535

minimum gb energy = -3.1354417743838408 eV
minimum distance =  2.54171340390729 Angstroms
sigma value = 33


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

Energy: 2.9875854045738146
Energy: 1.3916469788404733
Energy: 1.393237512758543
Energy: 1.4042520010285415
Energy: 1.9734460630596982
Energy: 2.517299494964261
Energy: 1.3848960832494221
Energy: 2.6578822221405933
Energy: 2.7358810054293867
Energy: 1.9866967416496712
Energy: 2.7322999767135707
Energy: 2.1682757081246216
Energy: 1.9826984730117818
Energy: 1.3632315133762534
Energy: 2.0811691300999735
Energy: 2.5526852959022954
Energy: 2.0819210600051936
Energy: 1.9696510417653648
Energy: 1.9708968286496777
Energy: 1.9727965760990942
Energy: 2.089472463962133
Energy: 1.9846456788042433
Energy: 1.3662194530888796
Energy: 1.9736660882101802
Energy: 1.9907972019268672
Energy: 1.9658690403432437
Energy: 1.4962862791365634
Energy: 1.3929937279627267
Energy: 1.9746196859331806
Energy: 1.9650271493734501
Energy: 1.3863874213687422
Energy: 1.3625263628299438
Energy: 1.9713862438403325
Energy: 1.956622416447824
Energy: 2.744367653421984
Energy: 1.3703091163387853
Energy: 1.3774289642794368
Energy: 1.9756723583675537
Energy: 1.956167375966705
Energy: 1.3916201371642292
Energy: 1.9711133753847077
Energy: 2.539900186637533
Energy: 1.4056953776585783
Energy: 1.5213365216598491
Energy: 1.9537049180969408
Energy: 1.9685033749370906
Energy: 1.96410208789458
Energy: 2.543449774239162
Energy: 1.97578046548293
Energy: 1.9755427407014914
Energy: 1.9662217881419946
Energy: 1.9596832069583976
Energy: 1.9711342513200605
Energy: 2.0683871890405574
Energy: 1.9854187673718529
Energy: 2.081139946486162
Energy: 1.9654062265480072
Energy: 1.9541758728641612
Energy: 1.9694472173649573
Energy: 2.0836639113695883
Energy: 1.9950879482889805
Energy: 2.149253516436998
Energy: 1.3652342414429177
Energy: 1.9655839241373734
Energy: 2.1697762385845576
Energy: 2.052030675038376
Energy: 1.9788376728391135
Energy: 1.9634992402888312
Energy: 1.3658864866339093
Energy: 1.9780572865625992
Energy: 2.157470206773784
Energy: 1.9835087296690979
Energy: 1.4092228105404654
Energy: 1.9655779048642557
Energy: 1.3659603459734968
Energy: 1.9756146495027236
Energy: 1.9774131484442794
Energy: 1.3801789984624826
Energy: 1.3732849620151255
Energy: 2.08149370645813
Energy: 1.362183222801053
Energy: 1.3799612107892814
Energy: 1.3557851905334868
Energy: 1.3904865515025948
Energy: 1.372181044130256
Energy: 1.3548750841307189
Energy: 1.360667311929179
Energy: 1.383126669889803
Energy: 1.356918489784952
Energy: 2.0851230835667116
Energy: 1.4100674668688582
Energy: 1.3568429962759299
Energy: 1.361976991128371
Energy: 1.3879983180574584
Energy: 1.359924558030379
Energy: 1.4854681801019518
Energy: 1.956338575624457
Energy: 1.3659165633390762
Energy: 1.3600975981211485
Energy: 1.3774251926334349
Energy: 1.3536768637539176
Energy: 1.9751756262992501
Energy: 1.4187476508086276
Energy: 2.085984895952909
Energy: 1.9663803595428855
Energy: 1.3845149700546646
Energy: 1.972376765235523
Energy: 1.981855669520364
Energy: 1.418057295259772
Energy: 1.4084395613186156
Energy: 2.080003656258887
Energy: 2.5043510365691746
Energy: 1.9525469583662387
Energy: 1.411891761081269
Energy: 1.9850966843577007
Energy: 2.7366340853497957
Energy: 1.368324735079916
Energy: 1.3746421129462292
Energy: 2.0797299014118757
Energy: 1.9775169488955322
Energy: 2.559485095751287
Energy: 2.149447086380883
Energy: 1.967827722079196
Energy: 1.978204245563786
Energy: 1.5109478714902467
Energy: 2.0901838680286535
Energy: 1.9878465182798128
Energy: 1.5006110573861138
Energy: 1.972109128622938
Energy: 1.971581401282635
Energy: 1.9755985315656248
Energy: 1.97000801725035
Energy: 1.3939015498108682
Energy: 1.974039168994349
Energy: 1.9669286066274139
Energy: 1.9630409019141133
Energy: 1.9703328304096532
Energy: 1.484431014022587
Energy: 1.408767926659526
Energy: 1.3480120792794352
Energy: 1.3660207739307944
Energy: 1.3841669136351962
Energy: 1.3582729152249906
Energy: 1.4357574397326365
Energy: 1.3934380410961908
Energy: 1.968367221184846
Energy: 1.9665791021048422
Energy: 1.3752840654737686
Energy: 1.9727956353070037
Energy: 1.962886292767189
Energy: 1.9716589338959936
Energy: 1.94797999507331
Energy: 1.9540702581748899
Energy: 1.3478987144371382
Energy: 1.9679329028424242
Energy: 1.95499755117441
Energy: 1.9545676364459645
Energy: 1.9687236958846308
Energy: 1.9761176515581862
Energy: 1.9753084690495828
Energy: 1.9738595249312332
Energy: 1.9654056684268073
Energy: 1.9519987764280746
Energy: 1.9671272736931795
Energy: 2.086169019901018
Energy: 1.9852521184276466
Energy: 1.5214406655727373
Energy: 1.9627059984215878
Energy: 1.9693797139026628
Energy: 1.492282664390252
Energy: 2.081268356608368
Energy: 1.995652045974493
Energy: 2.1441736884477742
Energy: 1.9563618787641786
Energy: 1.3546925844863975
Energy: 1.36432751216555
Energy: 1.9750590403274884
Energy: 1.9776048502176469
Energy: 1.970269783730772
Energy: 1.9468023685670819
Energy: 1.3685079883321627
Energy: 1.3695392717556312
Energy: 1.9792726257157303
Energy: 1.4096418621822013
Energy: 1.9615372197604708
Energy: 1.9545725580279774
Energy: 1.3844383297838443
Energy: 1.4931395183530243
Energy: 2.0813831773513303
Energy: 1.3756981767173282
Energy: 2.1556321564934176
Energy: 1.3693817639284331
Energy: 1.3851765780888505
Energy: 1.3580116227075163
Energy: 1.5117278117778086
Energy: 1.374014759534451
Energy: 1.3538326345212874
Energy: 1.3640812219683562
Energy: 1.4237694290073308
Energy: 1.3610024517643913
Energy: 1.3578772873585834
Energy: 1.4091753622531416
Energy: 1.3576641941423992
Energy: 1.3643626564578781
Energy: 1.3850626839869156
Energy: 1.356785680191804
Energy: 1.5116356163929818
Energy: 1.9856770860247874
Energy: 1.354287160510935
Energy: 1.3639158592795855
Energy: 1.3840708474913934
Energy: 1.9674668554170571
Energy: 2.084200311529302
Energy: 1.9872017385083134
Energy: 2.6577396733231957
Energy: 1.3705366503954148
Energy: 2.8114620093785803
Energy: 1.3657114551623752
Energy: 1.4091069500837217
Energy: 1.412765470458034
Energy: 1.979388137553427
Energy: 2.5248850507731064

minimum gb energy = 1.3478987144371382 eV
minimum distance =  2.5243910882186 Angstroms
sigma value = 41


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

Energy: 4.2102010851589755
Energy: 1.2103399518695135
Energy: 1.2139312276378451
Energy: 1.308202881206365
Energy: 1.2348171428903694
Energy: 0.0412696238052134
Energy: 1.3453449775578437
Energy: 0.2909243771406604
Energy: 0.23328320233007652
Energy: 1.361992996573614
Energy: 0.3422144309176594
Energy: 1.2304550916210475
Energy: 1.342675249217823
Energy: 0.2825053544301041
Energy: 0.24140419600605456
Energy: -0.2767232981517977
Energy: 0.39570214010447113
Energy: 1.2352129336456872
Energy: 1.321381146644507
Energy: 0.28096448714544353
Energy: 0.24147755855911027
Energy: 1.326585077814161
Energy: 0.3964097441684214
Energy: 0.2485933257927504
Energy: 1.348799853856395
Energy: 1.2453855521765531
Energy: 0.24760311992689327
Energy: 1.3243431562600323
Energy: 0.36301662916354255
Energy: 1.2371276221788294
Energy: 1.3324576476297572
Energy: 1.239914475609969
Energy: 1.1706808415249215
Energy: 0.9001270531038433
Energy: 1.2374081604766136
Energy: 1.2677756293140134
Energy: 2.200817290507473
Energy: 0.29449842138310356
Energy: 1.243892321759098
Energy: 1.316258913701002
Energy: 0.3992760799025533
Energy: 1.2526530536866913
Energy: 2.196664252817934
Energy: 0.28386864930011363
Energy: 1.1962405530375475
Energy: 1.3012972691259108
Energy: 1.2199892473249343
Energy: 1.2760166261185655
Energy: 1.3886699194836014
Energy: 0.27699504656263313
Energy: 0.23075051422468762
Energy: -0.281135372179575
Energy: 0.34447769111797205
Energy: 1.2734106471759559
Energy: 1.2846291567304446
Energy: 0.2904612613196333
Energy: 0.24554820226996457
Energy: 1.3112243940606825
Energy: 0.3477209165111528
Energy: 0.2464518883088702
Energy: 1.2832153590070499
Energy: 0.30565017101320985
Energy: 0.24646156134415204
Energy: 1.2629612209392456
Energy: 0.3615320565795399
Energy: 1.2963693161873684
Energy: 1.3949657253801824
Energy: 1.2210958703123826
Energy: 0.24980796646211387
Energy: 0.8427052179836545
Energy: 0.35007959891608637
Energy: 1.2648629225958352
Energy: 1.3525593762441053
Energy: 1.2152080778837195
Energy: 0.2450342465209923
Energy: 1.3193832319746333
Energy: 0.34950674905908713
Energy: 1.284743603200243
Energy: 2.2034323339116204
Energy: 0.2892412817944836
Energy: 1.2376874216557936
Energy: 1.3089666635848831
Energy: 1.2501117594182052
Energy: 1.289724713315032

minimum gb energy = -0.281135372179575 eV
minimum distance =  2.64525227478975 Angstroms
sigma value = 11


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

Energy: 2.114578870538877
Energy: 2.1788610239313053
Energy: 2.1780983728344463
Energy: 2.168186315135492
Energy: 2.1791286153367633
Energy: 2.102046030626017
Energy: 2.17532406851554
Energy: 2.1748515154337
Energy: 2.1719433347534403
Energy: 2.1683366048616035
Energy: 2.246886296574537
Energy: 2.171329456238625
Energy: 2.174554676859872
Energy: 2.1600569348611116
Energy: 2.214699594222464
Energy: 2.1329976964003188
Energy: 2.1628423178381344
Energy: 2.1616159789223444
Energy: 2.1657969310948175
Energy: 2.1737405250376813
Energy: 2.174224839113822
Energy: 2.1786236170064166
Energy: 2.1681357483981594
Energy: 2.172435006884435
Energy: 2.1661684908261827
Energy: 2.1798404175853623
Energy: 2.2450040607592983
Energy: 2.1680225505796256
Energy: 2.1741921140663885
Energy: 2.1800140495023874
Energy: 2.17688027132136
Energy: 2.170968548248608
Energy: 2.2347598751725197
Energy: 2.1797754684320463
Energy: 2.233616393672528
Energy: 2.1700753646140805
Energy: 2.1347656113722593
Energy: 2.1739641482627303
Energy: 2.1701850152029487
Energy: 2.17856090344748
Energy: 2.169094688570061
Energy: 2.13526405664753
Energy: 2.1319310500343613
Energy: 2.25630285513137
Energy: 2.1654184774202405
Energy: 2.177915734363704
Energy: 2.1646625647155116
Energy: 2.133564754906888
Energy: 2.1804478800451923
Energy: 2.167581599815316
Energy: 2.2427461440108423
Energy: 2.1454606677410277
Energy: 2.1751198790268753
Energy: 2.1643703898270132
Energy: 2.1757289246351776
Energy: 2.1684177952069366
Energy: 2.2523134525640964
Energy: 2.1462018450586244
Energy: 2.1744456048990424
Energy: 2.168430626762527
Energy: 2.1621428599345776
Energy: 2.1745714601550477
Energy: 2.170851101212016
Energy: 2.1812311378078153
Energy: 2.2451804055794766
Energy: 2.1713346822482285
Energy: 2.1692495855982243
Energy: 2.2544548424386797
Energy: 2.1760574210519628
Energy: 2.164199164560674
Energy: 2.2515264124275967
Energy: 2.1747330928793907
Energy: 2.1774020504851004
Energy: 2.174271862061304
Energy: 2.1702427479625763
Energy: 2.168503833443104
Energy: 2.1693266437942187
Energy: 2.161129129265986
Energy: 2.121401554188567
Energy: 2.1716286725479192
Energy: 2.1589544449272373
Energy: 2.1776393521687414
Energy: 2.157038172220185
Energy: 2.2382778244364494
Energy: 2.1780062169351275
Energy: 2.2480496642844985
Energy: 2.171298730626081
Energy: 2.1774958063933543
Energy: 2.1771635857350846
Energy: 2.174358244020031
Energy: 2.175312250791258
Energy: 2.1685237960870714
Energy: 2.1478955521482566
Energy: 2.1090249650319333
Energy: 2.1625782619421816
Energy: 2.1780680928053444
Energy: 2.17506607588371
Energy: 2.1742840380011703
Energy: 2.174750003045425
Energy: 2.1389532610852995
Energy: 2.169956693764839
Energy: 2.172855435993223
Energy: 2.1419435119522543
Energy: 2.2345467734649507
Energy: 2.1629396044152602
Energy: 2.1706489149189587
Energy: 2.1617267990647235
Energy: 2.1532723166106913
Energy: 2.177117767125976
Energy: 2.172074012514516
Energy: 2.170515173957536
Energy: 2.1685169511957745
Energy: 2.1707687093270085
Energy: 2.172578044134583
Energy: 2.176320690623837
Energy: 2.170741053359307
Energy: 2.1777122254984924
Energy: 2.1647324816208906
Energy: 2.1758194978012724
Energy: 2.1760564989142623
Energy: 2.1810678619363237
Energy: 2.2472265472809525
Energy: 2.168788002474451
Energy: 2.175804239531273
Energy: 2.1686026925732804
Energy: 2.260523931923744
Energy: 2.178479270255014
Energy: 2.1697753697766724
Energy: 2.169723721300027
Energy: 2.133918339620758
Energy: 2.1727458200355607
Energy: 2.1708766545044647
Energy: 2.17738247885816
Energy: 2.1659723894359195
Energy: 2.1171371576158275
Energy: 2.129925536182649
Energy: 2.1733349163742015
Energy: 2.1695383204809975
Energy: 2.1479261275256736
Energy: 2.1726658532655967
Energy: 2.163697555456292
Energy: 2.1822291904269866
Energy: 2.17037609996032
Energy: 2.147898552386195
Energy: 2.1453817492693052
Energy: 2.1774619937682638
Energy: 2.164580506219338
Energy: 2.1766554626246446
Energy: 2.1661012308787178
Energy: 2.2262368931185503
Energy: 2.182892465520302
Energy: 2.252522334494398
Energy: 2.1747240618251533
Energy: 2.1652936015369457
Energy: 2.1763481320676776
Energy: 2.166568333965641
Energy: 2.1656673633053125
Energy: 2.2556517933401454
Energy: 2.1677154594987407
Energy: 2.167540062324488
Energy: 2.2516230314185894
Energy: 2.1757065985228676
Energy: 2.1665260518280225
Energy: 2.1706598859432464
Energy: 2.169829657125602
Energy: 2.179683699474946
Energy: 2.1739891256139603
Energy: 2.174569355684269
Energy: 2.1778478645572106
Energy: 2.1608990140759334
Energy: 2.17515876174625
Energy: 2.128463689300162
Energy: 2.168715728704206
Energy: 2.1623877305138217
Energy: 2.178989783721539
Energy: 2.169280728097976
Energy: 2.250346759750059
Energy: 2.176272680901626
Energy: 2.1733812406848116
Energy: 2.1608400014162776
Energy: 2.108884735415978
Energy: 2.243065525010315
Energy: 2.16730604999087
Energy: 2.177357482391566
Energy: 2.1636045031038416
Energy: 2.1505694808317513

minimum gb energy = 2.102046030626017 eV
minimum distance =  2.50860660708544 Angstroms
sigma value = 57


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

Energy: 5.173708770231293
Energy: 2.9386773175393412
Energy: 2.9409870365001565
Energy: 2.939930324814069
Energy: 2.9395458636795526
Energy: 2.7800457627763144
Energy: 2.786320931626189
Energy: 2.822807867254933
Energy: 2.785302882658054
Energy: 2.7822293603457235
Energy: 2.820627774221952
Energy: 2.786990118720492
Energy: 2.7843044243074497
Energy: 2.785507284062079
Energy: 2.819689566542714
Energy: 2.788143264251773
Energy: 2.8193908510562307
Energy: 2.786739929545808
Energy: 2.7826192608072238
Energy: 2.786833906312878
Energy: 2.7853675177460513
Energy: 2.7865664301995694
Energy: 2.820342383885586
Energy: 2.7889867462186153
Energy: 2.781949087967305
Energy: 2.7866663859566185
Energy: 2.825267213067087
Energy: 2.786354461897414
Energy: 2.819171553664823
Energy: 2.786771909665472
Energy: 2.788459583551229
Energy: 2.7878571321305743
Energy: 2.821295905909161
Energy: 2.7919349898396515
Energy: 2.819156422415527
Energy: 2.7873644662370336
Energy: 2.7640270550470607
Energy: 2.823206433253892
Energy: 2.7859866650062486
Energy: 2.7854448636673395
Energy: 2.786627483315866
Energy: 2.8264894622975336
Energy: 2.764541127042716
Energy: 2.817780183459454
Energy: 2.787093359335953
Energy: 2.7879184220597164
Energy: 2.786418222713755
Energy: 2.8199442978148452
Energy: 2.7872338681835087
Energy: 2.7854522383530407
Energy: 2.7512247918651207
Energy: 2.746877767875434
Energy: 2.8203745704046557
Energy: 2.7862634223771945
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Energy: 2.7853681502502963
Energy: 2.751693351238819
Energy: 2.7475985907101705
Energy: 2.820543933756012
Energy: 2.7974962256932456
Energy: 2.754848911824962
Energy: 2.821183038066115
Energy: 2.7872582322005757
Energy: 2.789062964588033
Energy: 2.818405046919573
Energy: 2.821904284234036
Energy: 2.7525166424018157
Energy: 2.821595967429516
Energy: 2.786381649738569
Energy: 2.7824831330728244
Energy: 2.786752718548942
Energy: 2.8255488982135586
Energy: 2.7853808756603433
Energy: 2.8196572789540477
Energy: 2.786714660283364
Energy: 2.7819865359313924
Energy: 2.7864056171778095
Energy: 2.7856610359977196
Energy: 2.7907929797710898
Energy: 2.819513004626986
Energy: 2.7851968834193572
Energy: 2.784871135318931
Energy: 2.785163126899353
Energy: 2.8222548535748686
Energy: 2.7847818504144466
Energy: 2.819224341805715
Energy: 2.8263275876216922
Energy: 2.7862726057726737
Energy: 2.8220811544402653
Energy: 2.782948366614607
Energy: 2.936505735809902
Energy: 2.7874593406018175
Energy: 2.7851806146170217
Energy: 2.7587145481238653
Energy: 2.787014272782909
Energy: 2.9421973319987638
Energy: 2.747496503265156
Energy: 2.7858789110895668
Energy: 2.786196083693819
Energy: 2.7872018091077355
Energy: 2.8217107109452124
Energy: 2.7860565473062535

minimum gb energy = 2.746877767875434 eV
minimum distance =  2.50649080339544 Angstroms
sigma value = 9


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

Energy: 6.016116902022416
Energy: 2.7379560136696344
Energy: 2.759429451955925
Energy: 2.745617953307209
Energy: 2.7409561816869155
Energy: 2.5259940340679474
Energy: 2.8201899223423226
Energy: 2.7281971877631017
Energy: 2.4518237172477173
Energy: 2.414376413341404
Energy: 2.517330068022074
Energy: 2.8534804587729634
Energy: 2.8276011441629993
Energy: 2.830571527304452
Energy: 2.6207745346846028
Energy: 2.5188333817689244
Energy: 2.7121143911854992
Energy: 2.837867752102498
Energy: 2.831462662857375
Energy: 2.828118380113311
Energy: 2.4198190828850286
Energy: 2.4485425881563057
Energy: 2.5318247117380324
Energy: 2.8406745221773404
Energy: 2.694740005842772
Energy: 2.779535169086576
Energy: 2.687422003891389
Energy: 2.68625802579201
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Energy: 2.583860728512476
Energy: 2.832734939985362
Energy: 2.629715643620806
Energy: 2.436879629363093
Energy: 2.682473299560083
Energy: 2.4360881473539333
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Energy: 2.818388459238878
Energy: 2.3029427287636963
Energy: 2.6889754317817673
Energy: 2.4768191583835177
Energy: 2.3050835367245828
Energy: 2.489685024454058
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Energy: 2.69332378821978
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Energy: 2.7311634310415536
Energy: 2.628667853656108
Energy: 2.564045796584018
Energy: 2.3094946366712525
Energy: 2.6436709135068823
Energy: 2.5592901055565846
Energy: 2.5728904611938557
Energy: 2.5886969824779738
Energy: 2.57570676048128
Energy: 2.3055993795262975
Energy: 2.645512125790147
Energy: 2.2954240097746226
Energy: 2.551442241842379
Energy: 2.5384307321150366
Energy: 2.2815781230366308
Energy: 2.6934064398420907
Energy: 2.676013228468286
Energy: 2.366124727773313
Energy: 2.288190982445463
Energy: 2.5172216356055994
Energy: 2.2894380838138906
Energy: 2.2901545145195246
Energy: 2.6849037875595774
Energy: 2.2885848101388437
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Energy: 2.5351135181551046
Energy: 2.679513206543663
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Energy: 2.5239269166613068
Energy: 2.309754318022646
Energy: 2.536208884638898
Energy: 2.5770626605995224
Energy: 2.6997142815027573
Energy: 2.2873453917757423
Energy: 2.528446976087597
Energy: 2.3018113943657563
Energy: 2.699989769754064
Energy: 2.8489160867319665
Energy: 2.4813258750061
Energy: 2.701032982109083
Energy: 2.6882268892356316
Energy: 2.6847536984478495
Energy: 2.480821603344699
Energy: 2.8543303735165333
Energy: 2.4805346395580825
Energy: 2.492768970925085
Energy: 2.432319675741252
Energy: 2.462841432567214
Energy: 2.8587870010213403
Energy: 2.844074188465639
Energy: 2.714319858662386
Energy: 2.4427191118334637
Energy: 2.456830568759326
Energy: 2.441433999995597
Energy: 2.8222386910199675
Energy: -1.3234619928363185
Energy: 2.521710702189579
Energy: 2.449033984339106
Energy: 2.679991166532233
Energy: 2.4439266761262917
Energy: 2.6021722494240733
Energy: 2.847131470052265
Energy: 2.854413086992977
Energy: 2.512564447185207
Energy: 2.4317748095408596
Energy: 2.7112630367698234
Energy: 2.853285901136675
Energy: 2.8594319328631803
Energy: 2.8447491152730873
Energy: 2.8491013474734816
Energy: 2.6442052546412236
Energy: 2.829387764329956
Energy: 2.8435374250523124
Energy: 2.664261570604784
Energy: 2.7262750378812375
Energy: 2.4519778124433884
Energy: 2.450600745480519
Energy: 2.4543655516692335
Energy: 2.852309452717032

minimum gb energy = -1.3234619928363185 eV
minimum distance =  2.50314438289725 Angstroms
sigma value = 27


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

Energy: 2.9603685516927687
Energy: 2.718870573310313
Energy: 2.8068723407951888
Energy: 2.7951877926790933
Energy: 2.718926260424756
Energy: 2.775179961801699
Energy: 2.8008666127033788
Energy: 2.7370531926283017
Energy: 2.767620912726621
Energy: 2.712957339381317
Energy: 2.718054324718781
Energy: 2.8062588327869196
Energy: 2.711328805311142
Energy: 2.7326123079998488
Energy: 2.712636022632557
Energy: 2.7107682098766044
Energy: 2.7129344987954154
Energy: 2.7215014540717446
Energy: 2.709942164107628
Energy: 2.731575675574089
Energy: 2.729576281567243
Energy: 2.710747065580522
Energy: 2.714519277072083
Energy: 2.7201155049112105
Energy: 2.8406525119368093
Energy: 3.005157662040402
Energy: 2.777820360908016
Energy: 2.7675191986032415
Energy: 3.003515955447967
Energy: 3.002683858852306
Energy: 2.714738287199239
Energy: 2.7316574355867904
Energy: 2.7779320150596747
Energy: 2.768331809880245
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Energy: 2.7240264974659327
Energy: 2.710466993235464
Energy: 3.0058336666020975
Energy: 3.0039670870902673
Energy: 2.7616665080434544
Energy: 3.003773359560296
Energy: 2.7202046562692637
Energy: 2.709583872565787
Energy: 2.7738228888799066
Energy: 2.7773197875002604
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Energy: 2.7141464362225736
Energy: 2.719506545437442
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Energy: 2.7215796457932826
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Energy: 2.7223729847046862
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Energy: 2.721941216576472
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Energy: 2.7180785070903575
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Energy: 2.7938134401861046
Energy: 2.7339325127332383
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Energy: 2.717730694318514
Energy: 2.717190612442133
Energy: 2.7795769456439743
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Energy: 2.715225898892144
Energy: 2.714006157470988
Energy: 2.769587444965853
Energy: 2.7073380864100622
Energy: 2.712538778273555
Energy: 2.7275653815672842
Energy: 2.710856954657126
Energy: 2.7127502873900062
Energy: 2.714308031112002
Energy: 2.7086739982729284
Energy: 2.7701221101318656
Energy: 2.7263741875366376
Energy: 2.7164039081873996
Energy: 2.714637863587877
Energy: 2.7247125708015494
Energy: 2.765568040651679
Energy: 2.785196899534968
Energy: 3.004583934887309
Energy: 2.7121819577126027
Energy: 3.012647178756163
Energy: 2.7746118010018272
Energy: 2.7937633554014405
Energy: 3.005629138058572
Energy: 2.7251548412839783
Energy: 2.7109596096309434
Energy: 2.7702560568111183
Energy: 3.0030843443201682
Energy: 2.805827235938863
Energy: 3.0060622961584214
Energy: 2.724881051496528
Energy: 2.7113275328884026
Energy: 3.006527349848052
Energy: 3.003166769634556
Energy: 2.7662968414245706
Energy: 2.7849842986656292
Energy: 3.00266968337855
Energy: 2.708967000229392
Energy: 3.010434293530575
Energy: 2.7747667488742667
Energy: 2.712422507813037
Energy: 2.714277891687986
Energy: 2.727459641432686
Energy: 2.716824743854417
Energy: 2.730090332600237
Energy: 2.720067064347126
Energy: 2.716188508845472
Energy: 2.7126986030952103
Energy: 2.7268819140176377
Energy: 2.711136964781936
Energy: 2.7142377131860407
Energy: 2.712805120460203
Energy: 2.7141020537201657
Energy: 2.776658076417607
Energy: 2.7306074105686506
Energy: 2.7175876840797684
Energy: 2.7138225866500147
Energy: 2.7147967984177845
Energy: 2.7979230848392467
Energy: 2.7250531577747923
Energy: 2.7156512485620934
Energy: 2.717978028482844
Energy: 2.765428995026847
Energy: 2.803736865036197
Energy: 2.71332943664853
Energy: 2.7698158112933773
Energy: 2.774940027883666
Energy: 2.7944916907522726
Energy: 2.7672994713339705
Energy: 2.7155806196409973

minimum gb energy = 2.7073380864100622 eV
minimum distance =  2.54912452412587 Angstroms
sigma value = 19


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

Energy: 2.558594431670331
Energy: -0.483326746812306
Energy: -0.4841385586218821
Energy: 2.463413690825438
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Energy: -0.11353139133112208
Energy: -0.479424317935806
Energy: -0.48231265010374963
Energy: 2.478183612230308
Energy: -0.4773895132852663
Energy: -0.47839762045838746
Energy: 2.470116375428254
Energy: -0.478638286295025
Energy: 2.3986349224276857

minimum gb energy = -0.5015157211920256 eV
minimum distance =  2.57198736063434 Angstroms
sigma value = 101


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

Energy: 2.504375423441763
Energy: 2.471850284958686
Energy: 2.4776320388535686
Energy: 2.4597578062897187
Energy: 2.4693397332836833
Energy: 2.4417226744044935
Energy: 2.467540306032921
Energy: 2.470502741394039
Energy: 2.471629926275579
Energy: 2.4630070909765567
Energy: 2.464073479077968
Energy: 2.4656564553549862
Energy: 2.4723811032842895
Energy: 2.474222645783303
Energy: 2.4794476512689556
Energy: 2.4765854820272746
Energy: 2.4625550526115125
Energy: 2.4702174044224883
Energy: 2.4650986208366104
Energy: 2.4727765860834303
Energy: 2.476229052558622
Energy: 2.455239248530338
Energy: 2.464322554729548
Energy: 2.46735206830448
Energy: 2.437936414891783
Energy: 2.4996388264301386
Energy: 2.503314252510357
Energy: 2.4911972628455206
Energy: 2.4898196519153073
Energy: 2.4821067815376265
Energy: 2.4638890724120635
Energy: 2.482292027413864
Energy: 2.5031074797454504
Energy: 2.487548991195083
Energy: 2.5159018311683727
Energy: 2.4755608047363435
Energy: 2.4616727174254516
Energy: 2.7060387962613843
Energy: 2.7104307476926244
Energy: 2.7374632511334243
Energy: 2.7100765480270295
Energy: 2.7049520509358493
Energy: 2.454653531979526
Energy: 2.4633151144402525
Energy: 2.503598091561069
Energy: 2.489266041596738
Energy: 2.5160953840610136
Energy: 2.4677512652915565
Energy: 2.4615399822788446
Energy: 2.704795606562874
Energy: 2.9098544037135845
Energy: 2.4530998367432675
Energy: 2.7091496983658736
Energy: 2.7055611047854424
Energy: 2.462724801836932
Energy: 2.4659345901779717
Energy: 2.495293689912028
Energy: 2.4613216239407647
Energy: 2.7072355193659083
Energy: 2.472024822697244
Energy: 2.4676633903637852
Energy: 2.4873930916798668
Energy: 2.4628701088825222
Energy: 2.4925991249543866
Energy: 2.4644052226266147
Energy: 2.4915768148342146
Energy: 2.4731539092820705
Energy: 2.4607423552827807
Energy: 2.492339869614683
Energy: 2.453520926813207
Energy: 2.4671160931549676
Energy: 2.495506448770497
Energy: 2.467347743881156
Energy: 2.4682868873340116
Energy: 2.462652504097
Energy: 2.4665750706094913
Energy: 2.4627403126272593
Energy: 2.4680552597921883
Energy: 2.466316696148771
Energy: 2.4657778195486157
Energy: 2.530914220070579
Energy: 2.4476418179278854
Energy: 2.466347684132413
Energy: 2.497180770034575
Energy: 2.44943566767695
Energy: 2.492622767771962
Energy: 2.4700342969853315
Energy: 2.457330456474898
Energy: 2.467926199363367
Energy: 2.4638910645209613
Energy: 2.456471251384477
Energy: 2.5248510151412553
Energy: 2.468882211216033
Energy: 2.468573872638652
Energy: 2.4645776647425417
Energy: 2.4677517871070065
Energy: 2.4658601324950395
Energy: 2.467745618108816
Energy: 2.440660530631656
Energy: 2.4899091863024414
Energy: 2.463195228088542
Energy: 2.4756524503669914
Energy: 2.4558125670177064
Energy: 2.4701158254600797
Energy: 2.523310720915667
Energy: 2.4827887656190053
Energy: 2.4634372237477677
Energy: 2.4639677647512874
Energy: 2.487994770107409
Energy: 2.4636251365450033
Energy: 2.4970341695718914
Energy: 2.4863330275347373
Energy: 2.4652888975299776
Energy: 2.481929510614355
Energy: 2.4300940178608905
Energy: 2.4627411829554915
Energy: 2.4748020692700816
Energy: 2.465938743416106
Energy: 2.463222448864252
Energy: 2.4637733268454647
Energy: 2.486145206214226
Energy: 2.508496157599925
Energy: 2.4969079395030644
Energy: 2.447805434191642
Energy: 2.4919732821265397
Energy: 2.4995765568875106
Energy: 2.4911258410284374
Energy: 2.5083307814550517
Energy: 2.4758424267877888
Energy: 2.466497878660834
Energy: 2.491863063321554
Energy: 2.4995263640031107
Energy: 2.4533687648632245
Energy: 2.7090870977079207
Energy: 2.4751027198996627
Energy: 2.4575251199301733
Energy: 2.7064417492168937
Energy: 2.7112948376576598
Energy: 2.489109686175223
Energy: 2.4900328598217008
Energy: 2.7056748732741056
Energy: 2.4633051252911065
Energy: 2.706330620576083
Energy: 2.499394050856254
Energy: 2.4553800810541304
Energy: 2.7086229206499763
Energy: 2.7043297253911893
Energy: 2.4633611646164746
Energy: 2.9170837311947584
Energy: 2.493024035436061
Energy: 2.453876433389947
Energy: 2.9090527114795504
Energy: 2.4625395261658807
Energy: 2.45916132682828
Energy: 2.707490429409684
Energy: 2.705717928255328
Energy: 2.490963159962899
Energy: 2.491743743872013
Energy: 2.492651206789349
Energy: 2.479076975390039
Energy: 2.4629158643596436
Energy: 2.499050946657007
Energy: 2.4595017273137905
Energy: 2.5085791838181026
Energy: 2.495544132235848
Energy: 2.4640561206179026
Energy: 2.4914871909752825
Energy: 2.497149527513881
Energy: 2.458770783222765
Energy: 2.4639407076550404
Energy: 2.475456738639585
Energy: 2.4651003621355114
Energy: 2.46696222208041
Energy: 2.465887063374059
Energy: 2.4618118269238596
Energy: 2.4629990900671643
Energy: 2.502809874903178
Energy: 2.489584396316351
Energy: 2.4911080532883525
Energy: 2.464341900300661
Energy: 2.458078738982809
Energy: 2.477942217320746
Energy: 2.463716030425283
Energy: 2.4567591448492223
Energy: 2.495368152764179
Energy: 2.4632532732242574
Energy: 2.474046003656198
Energy: 2.4674681916477628
Energy: 2.4637745307838816
Energy: 2.4574459401044244
Energy: 2.494911310855419
Energy: 2.476377498890204
Energy: 2.4715092197185484
Energy: 2.494746058658404
Energy: 2.4800499791656176
Energy: 2.472336403655669
Energy: 2.4909037078586493
Energy: 2.43752990087525

minimum gb energy = 2.4300940178608905 eV
minimum distance =  2.56507671583517 Angstroms
sigma value = 33


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

Energy: 0.019518640825328972
Energy: -0.01288279713307674
Energy: -0.008188674096362245
Energy: -0.014627798582812315
Energy: -0.011900118934436646
Energy: 0.01108084910025682
Energy: 0.25576768849421544
Energy: 0.22462031297988141
Energy: 0.2327957014186561
Energy: 0.25221917365237156
Energy: 0.21733539584584244
Energy: 0.2386751859310069
Energy: 1.543946021036198
Energy: -0.01427844899566388
Energy: 0.01007658238254206
Energy: 0.02012699257805741
Energy: -0.012596160350759496
Energy: -0.007527569559632547
Energy: 0.0204531347712249
Energy: 0.2246203129792939
Energy: 0.2327957014175138
Energy: 0.2522191736535139
Energy: 0.2173353958447001
Energy: 0.23867518593273673

minimum gb energy = -0.014627798582812315 eV
minimum distance =  2.69197680924554 Angstroms
sigma value = 1