Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
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=3.150138288736343
cohesive_energy=6.810539118324262
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=[3.951400167135179e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18, -1.8601110503076597e-18, -2.7643154554718997e-18, -4.0448551301964e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01729638789173929
Energy: 0.23544444982680474
Energy: 0.23536448907608337
Energy: 0.23560259463954106
Energy: 0.23542289308824035
Energy: 0.01796019433039933
Energy: 0.23544444580859306
Energy: 1.584221158933593
Energy: 0.23550160284885682
Energy: 0.23530223054076208
Energy: 0.23537516254067153
Energy: 0.23558576339030796
Energy: 0.2354923924127414
Energy: 0.23559151719349744
Energy: 1.5870568978106905
Energy: 0.017948698555454633
Energy: 0.23552647620600922
Energy: 0.23529516607120757
Energy: 0.2355956294996843
Energy: 0.23529544520143575
Energy: 0.017948698747589076
Energy: 0.01753664802696712
Energy: 0.23550395216226036
Energy: 0.23541835576249612
Energy: 0.23542289258167906
Energy: 0.23536374471228835
Energy: 0.23554158193620092
Energy: 0.23550395216226036
Energy: 1.585752613285254
Energy: 0.23546978914976407
Energy: 0.017960194331179433
Energy: 0.23558576339030796
Energy: 0.2353354049367529
Energy: 0.235418328152451
Energy: 0.2354244819076416
Energy: 0.017369706249507164

minimum gb energy = 0.01729638789173929 eV
minimum distance =  2.72731843064959 Angstroms
sigma value = 1


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

Energy: 3.04687206928397
Energy: 2.119229752557137
Energy: 2.0200658914898493
Energy: 2.0215276712038155
Energy: 2.117864632429498
Energy: 2.163395750263794
Energy: 2.177766935865891
Energy: 2.280490414684002
Energy: 2.070431097842006
Energy: 1.981768473085653
Energy: 2.070922916328415
Energy: 2.308469488723215
Energy: 1.9859502385450474
Energy: 2.077863377166293
Energy: 2.319973842798749
Energy: 2.200185859223171
Energy: 2.07724999283509
Energy: 2.0174025255139627
Energy: 1.9794639458430126
Energy: 2.010854046234479
Energy: 2.211426450695762
Energy: 2.209447304566813
Energy: 2.077404464719111
Energy: 2.011432609600001
Energy: 1.9818899251253492
Energy: 2.012819737026169
Energy: 2.080118017633641
Energy: 1.9802545630920634
Energy: 2.281263924630926
Energy: 2.0101992431524582
Energy: 2.0411160160783766
Energy: 2.2970952313220314
Energy: 2.2418403804757356
Energy: 1.981264703328228
Energy: 2.2426921322935636
Energy: 2.297097319289379
Energy: 2.038949662580844
Energy: 2.2515042304478836
Energy: 2.190943958801251
Energy: 2.1922240900646313
Energy: 2.2541810695411257
Energy: 2.296830726002858
Energy: 2.040788838880357
Energy: 2.223997428964995
Energy: 2.1957199612638627
Energy: 2.1400842309690327
Energy: 2.19536347088199
Energy: 2.0498257556631163
Energy: 1.9800066349290248
Energy: 2.2181672302551267
Energy: 2.2221736296346
Energy: 2.1072675382766226
Energy: 2.221423468596368
Energy: 2.4479850820821882
Energy: 1.8799215261370648
Energy: 2.219641682924988
Energy: 2.220911067071578
Energy: 1.8409927904196763
Energy: 2.21949368937986
Energy: 2.2345249960872255
Energy: 2.041801206110711
Energy: 2.2237082895575067
Energy: 1.8383265735147645
Energy: 2.092679084288713
Energy: 2.102811616556399
Energy: 2.09088579207042
Energy: 2.0393111979243477
Energy: 2.1779254228283094
Energy: 2.174623174635723
Energy: 2.010599763778083
Energy: 2.174931400543531
Energy: 2.0918242231610953
Energy: 2.040868177486813
Energy: 2.178475617587999
Energy: 2.1746460962595116
Energy: 2.0089554268628973
Energy: 2.1747592586039874
Energy: 2.088441112219366
Energy: 2.028814161320094
Energy: 2.1722243933518466
Energy: 1.8385987165485296
Energy: 1.8382938672575648
Energy: 1.8387494569288727
Energy: 2.1697916925692047
Energy: 1.9640491941436125
Energy: 2.031776272930083
Energy: 2.0316817417104938
Energy: 1.84179115549387
Energy: 2.0300927899809067
Energy: 2.210415204314836
Energy: 2.2013455765518573
Energy: 2.0308248778769546
Energy: 2.030060799577609
Energy: 2.107046324704056
Energy: 2.029695446722771
Energy: 2.239869340720415
Energy: 2.0405979703771453
Energy: 2.161425379959619
Energy: 2.1910510837877677
Energy: 2.1196317410200782
Energy: 2.2401152733326892
Energy: 2.1648155465243315
Energy: 2.0437476710959337
Energy: 2.2760772466987955
Energy: 2.240387020237614
Energy: 2.241986137268615
Energy: 2.2412882146789332
Energy: 2.2361317412799107
Energy: 2.039555203904473
Energy: 2.2366296009380298
Energy: 2.196060300841016
Energy: 1.9744685694971678
Energy: 2.239698996268323
Energy: 2.235811546785068
Energy: 1.9934058960312357
Energy: 2.2224684390494485
Energy: 1.9357018972886504
Energy: 1.8759122871272553
Energy: 2.2203173480044547
Energy: 2.2211772725752934
Energy: 2.467920363507152
Energy: 2.2183625736698906
Energy: 2.2344026285080303
Energy: 2.234785126293972
Energy: 2.260859889637124
Energy: 2.2212688445498903
Energy: 1.9893734322348642
Energy: 2.2599152870535333
Energy: 2.258453096715822
Energy: 1.9806939489479165
Energy: 2.2595314222289513
Energy: 2.0170786743759233
Energy: 2.1530844110802048
Energy: 2.2811571263163577
Energy: 1.9719379537851154
Energy: 1.9748967096626175
Energy: 2.0706176957120963
Energy: 2.3078779245791

minimum gb energy = 1.8382938672575648 eV
minimum distance =  2.38941144056799 Angstroms
sigma value = 33


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

Energy: 3.7026179496582365
Energy: 2.154699952139836
Energy: 2.0241126585701785
Energy: 2.0229426108625574
Energy: 2.1529217710540105
Energy: 2.364515445825604
Energy: 2.2421392077562174
Energy: 2.5450307882401075
Energy: 2.0409834314380335
Energy: 2.001770976473547
Energy: 2.042010039558349
Energy: 2.245952235375851
Energy: 2.2196566552769545
Energy: 2.236118795031906
Energy: 2.23338658030094
Energy: 1.9456186665600061
Energy: 2.2330686240309032
Energy: 2.21326077538753
Energy: 2.067982301946012
Energy: 2.2391089403870597
Energy: 2.233185767861243
Energy: 2.3171316625688343
Energy: 2.232616715492392
Energy: 2.120993051682906
Energy: 2.177118986420792
Energy: 2.123605444247236
Energy: 2.050934391424777
Energy: 2.2876686674596023
Energy: 2.559641486621744
Energy: 2.123873346085977
Energy: 2.0011024845628045
Energy: 2.3341538925197955
Energy: 2.3318010224882646
Energy: 2.002975548536382
Energy: 2.332158250534352
Energy: 2.3338830165491395
Energy: 2.0017872786400415
Energy: 2.3351395789855856
Energy: 2.389391116472886
Energy: 2.6171711539507645
Energy: 2.3345843604080803
Energy: 2.334964219559987
Energy: 2.0008909081847057
Energy: 2.0422755795712226
Energy: 2.37360846737473
Energy: 2.002219687434895
Energy: 2.3306439829073726
Energy: 2.0498295802789945
Energy: 1.9821389106501814
Energy: 2.23411486224616
Energy: 2.2017033951173013
Energy: 2.069839933290159
Energy: 2.2351494883721656
Energy: 2.2905881701745687
Energy: 1.9089714114692942
Energy: 2.2332969858178586
Energy: 2.2147311216621492
Energy: 2.1224596073483903
Energy: 2.234144407853994
Energy: 2.297415055511702
Energy: 2.002370596551798
Energy: 2.0419024813395703
Energy: 2.2364155769232132
Energy: 2.2145306075140505
Energy: 2.235927976173633
Energy: 2.04411294238943
Energy: 2.0048228126400613
Energy: 2.040919487572539
Energy: 2.0421799450687828
Energy: 1.9435885755231028
Energy: 2.041552472312884
Energy: 2.0422000328237164
Energy: 1.948391782931341
Energy: 2.040622360200573
Energy: 2.0424001525278968
Energy: 1.9437132849550647
Energy: 2.0420864539478147
Energy: 1.9474045849326405
Energy: 1.950683095411867
Energy: 2.1848256503631243
Energy: 2.236408311537132
Energy: 2.2150125813602606
Energy: 2.2356249437134355
Energy: 1.9496496530606775
Energy: 1.9977685547788102
Energy: 2.3160165698591904
Energy: 2.3104807661608584
Energy: 2.1213496388071036
Energy: 2.318788490285268
Energy: 2.315849980662761
Energy: 1.9478357555888375
Energy: 2.3162688440090564
Energy: 2.3095375154168334
Energy: 2.309136280182732
Energy: 2.3175251597922903
Energy: 2.3155199782109706
Energy: 1.9498684588997586
Energy: 1.9602014872427138
Energy: 2.3106132308369607
Energy: 2.217653823504044
Energy: 2.3099430249194826
Energy: 1.9600664860055836
Energy: 1.9095410884842194
Energy: 2.3150289967969533
Energy: 2.337116824268707
Energy: 2.382039594001733
Energy: 2.316729468936305
Energy: 2.3281870448060173
Energy: 1.9123615099365139
Energy: 2.3151798657672598
Energy: 2.3208941783269097
Energy: 2.1232252952061703
Energy: 2.3198692845304474
Energy: 2.3164862871939755
Energy: 1.9486186868025648
Energy: 1.9489552762097557
Energy: 2.24562496253752
Energy: 2.3284022540412423
Energy: 2.558883126843329
Energy: 1.9489520565702971
Energy: 1.9502165781925835
Energy: 2.0419966552370665
Energy: 2.156093439226941
Energy: 2.2991694503775086
Energy: 2.042329544019383
Energy: 1.9481613911132585
Energy: 2.001952364106306
Energy: 2.040800517963671
Energy: 2.2909151717472325
Energy: 1.9918750139412718
Energy: 2.042654173071375
Energy: 2.0452876155661674
Energy: 2.2745682394027504
Energy: 2.5593958982224954
Energy: 2.236181205119706
Energy: 2.2185275773195015
Energy: 2.2358144013073895
Energy: 2.1325827687994594
Energy: 3.417161377874055
Energy: 2.2346430321587074
Energy: 2.122365253826636
Energy: 2.0684995599728717
Energy: 2.2372844972453563
Energy: 2.3188028673972254
Energy: 2.273929064219519
Energy: 2.559215264550661
Energy: 2.122907625127767
Energy: 2.0685146197487283
Energy: 2.2357915161034447
Energy: 2.1321424040149877
Energy: 2.001919800448309
Energy: 2.3328638184246566
Energy: 2.3311728185814764
Energy: 2.001954402239049
Energy: 2.332422744626231
Energy: 2.0469839880732787
Energy: 2.6143658073325584
Energy: 2.33074856390139
Energy: 2.3334663134772513
Energy: 2.3845291788153564
Energy: 2.333144776651963
Energy: 2.3842226322506033
Energy: 2.003515619498757
Energy: 2.393788184065285
Energy: 2.04160530073653
Energy: 2.0013126209851757
Energy: 2.332838985563971
Energy: 2.3767572266841066
Energy: 2.069803998489203
Energy: 2.2013733921715066
Energy: 2.3436958315659795
Energy: 1.9817611179083574
Energy: 2.2352108997291618
Energy: 2.121861423555997
Energy: 2.1265519377793827
Energy: 2.2121705384279258
Energy: 2.297634754398792
Energy: 3.121384643482597
Energy: 2.2347047732017002
Energy: 2.2390773843132825
Energy: 2.287153464766955
Energy: 2.235457359989041
Energy: 2.333828709042278
Energy: 2.0022390450857546
Energy: 2.2357172363867917
Energy: 2.21224620989332
Energy: 2.2645142040570767
Energy: 2.041821650816998
Energy: 2.0413795993348622
Energy: 2.0015523163621785
Energy: 2.0405628316485807
Energy: 2.231245386944115
Energy: 1.9553833492755428
Energy: 2.0425710736547176
Energy: 2.040776673427214
Energy: 1.9489176218619197
Energy: 2.0411545545577314
Energy: 2.2316523002134274
Energy: 2.449910472985762
Energy: 2.2362215570694324
Energy: 1.9488981707864554
Energy: 1.9474894128581113
Energy: 1.9482487769815502
Energy: 2.246481862103134
Energy: 2.123293564380088
Energy: 2.343285715253896
Energy: 2.3162435459157726
Energy: 1.9981219886820663
Energy: 2.3173658762274427
Energy: 2.3105540202033343
Energy: 2.386945490384189
Energy: 2.299440982130787
Energy: 2.3163550743384893
Energy: 1.9487785220064664
Energy: 2.316184475451619
Energy: 2.3253345734116633
Energy: 2.3514604815987274
Energy: 2.37958398470539
Energy: 1.9596596138589513
Energy: 1.9627703760234423
Energy: 2.225947560329884
Energy: 2.2604350751153723
Energy: 2.39004926106556
Energy: 2.3225427982477065
Energy: 2.315758979135934
Energy: 1.9134533974228136
Energy: 2.3151950011869147
Energy: 2.3343875226601503
Energy: 2.1219095565713184
Energy: 2.321595218381814
Energy: 2.315132122168889
Energy: 1.9090794584618935
Energy: 2.3151036114498225
Energy: 2.3085853947530994
Energy: 2.44927852308499
Energy: 2.2358690332889926
Energy: 1.9483033651218569
Energy: 1.9479299871017581
Energy: 1.949552327078912
Energy: 2.236443478735916
Energy: 1.9800865700312942
Energy: 2.0418366696209977
Energy: 1.9480228648427727
Energy: 1.9513965032978802
Energy: 2.040863042980521
Energy: 2.2978113802630555

minimum gb energy = 1.9089714114692942 eV
minimum distance =  2.425960355985 Angstroms
sigma value = 51


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

Energy: 3.467084580246263
Energy: 2.262132196245411
Energy: 2.262316055642094
Energy: 2.1704137582818985
Energy: 2.261625109240723
Energy: 2.3641446877302803
Energy: 2.3565311428230635
Energy: 2.3771545315978106
Energy: 2.166473629495375
Energy: 2.209720913754442
Energy: 2.166243530062714
Energy: 2.169343350641586
Energy: 2.080634539495514
Energy: 2.163459420968513
Energy: 2.1614890683346273
Energy: 2.3773459913286037
Energy: 2.158563468351337
Energy: 2.169793660566704
Energy: 2.064468058403176
Energy: 2.1628213543118804
Energy: 2.1611506375938223
Energy: 2.069615639298213
Energy: 2.159125513427179
Energy: 2.1681531770671274
Energy: 2.0604124523025638
Energy: 2.180985814939775
Energy: 2.508249361105801
Energy: 2.2713772376066697
Energy: 2.443025464714207
Energy: 2.181283297136953
Energy: 2.083874169393679
Energy: 2.364310241618087
Energy: 2.508196141844759
Energy: 2.2049091089329127
Energy: 2.362474687353377
Energy: 2.3628563295252376
Energy: 2.083656128020521
Energy: 2.3631927376986313
Energy: 2.398232206078655
Energy: 2.2334212266706683
Energy: 2.3628968273682247
Energy: 2.3626994763362608
Energy: 2.0810089833674907
Energy: 2.5067776928747327
Energy: 2.585685289681378
Energy: 2.270199957547999
Energy: 2.364169093232517
Energy: 2.5096128991427893
Energy: 1.8843783190879084
Energy: 2.5046480099140953
Energy: 2.2071552824976406
Energy: 2.063898942007687
Energy: 2.1661944786671183
Energy: 2.344035371759352
Energy: 1.882765009200316
Energy: 2.1635410528642764
Energy: 2.1677107637975785
Energy: 2.207417649552147
Energy: 2.164080616581404
Energy: 2.343649585351966
Energy: 2.34401377112872
Energy: 2.5077926375857946
Energy: 2.166670001773536
Energy: 2.2047125467389512
Energy: 2.5086371634646656
Energy: 2.1813835204687497
Energy: 2.0797940960245804
Energy: 2.1574893158604693
Energy: 2.1587812492121095
Energy: 2.362839052199296
Energy: 2.1567929017778122
Energy: 2.1630846450356187
Energy: 2.062351340556704
Energy: 2.157461915496924
Energy: 2.158995342882785
Energy: 2.070351629329084
Energy: 2.158184642998695
Energy: 2.165385072831381
Energy: 2.0611104056475007
Energy: 2.377022405121094
Energy: 2.5087694182456493
Energy: 2.271002742106017
Energy: 2.5087052252947215
Energy: 2.182752191222621
Energy: 2.0799429175644777
Energy: 2.3622148612417377
Energy: 2.3735143180411375
Energy: 2.230070328122429
Energy: 2.3699953977768695
Energy: 2.36256608047834
Energy: 2.079606939430497
Energy: 2.3608815557514187
Energy: 2.459373490998822
Energy: 2.227260031929329
Energy: 2.3635537905892217
Energy: 2.361674652959836
Energy: 2.3771990218809527
Energy: 2.507014184230212
Energy: 2.559468952764821
Energy: 2.2147813308990645
Energy: 2.4995412336158647
Energy: 2.5076044000242725
Energy: 1.8830291247505038
Energy: 2.163113239031951
Energy: 2.062508856389184
Energy: 2.062184029687036
Energy: 2.163364755970699
Energy: 2.34402112713826

minimum gb energy = 1.882765009200316 eV
minimum distance =  2.43464098422039 Angstroms
sigma value = 19


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

Energy: 3.1810962515607533
Energy: 2.20515496415834
Energy: 2.219574017645202
Energy: 2.0636985368522596
Energy: 2.18116887219277
Energy: 2.3676369684098657
Energy: 2.329200086573535
Energy: 2.6023978608964886
Energy: 2.1786220707659028
Energy: 2.1882303485727426
Energy: 2.179007769858719
Energy: 2.461102031810798
Energy: 2.450668506526836
Energy: 2.4218185726237755
Energy: 2.420406826834493
Energy: 2.3298631022130865
Energy: 2.4208697003474215
Energy: 2.451048837606526
Energy: 2.311556238815698
Energy: 2.424194193644942
Energy: 2.421516650362773
Energy: 2.322903032897793
Energy: 2.421479803545574
Energy: 2.385785664090673
Energy: 2.381299061017335
Energy: 2.390578816385552
Energy: 2.3694877138039394
Energy: 2.086923865364289
Energy: 2.601909761000062
Energy: 2.391776381777136
Energy: 2.311476479675582
Energy: 2.4567608917789925
Energy: 2.4901177699616532
Energy: 2.08992856523301
Energy: 2.421773669462049
Energy: 2.3868736696317483
Energy: 2.3128802792032137
Energy: 2.4471037009326206
Energy: 2.498373132185
Energy: 3.211064948147529
Energy: 2.4617711562006463
Energy: 2.482637545519137
Energy: 2.4495822735541375
Energy: 2.4487053428606913
Energy: 2.1785254035158026
Energy: 2.1930625256240854
Energy: 2.4216415472090684
Energy: 2.4507325461747795
Energy: 2.0819031730210646
Energy: 2.177746133025516
Energy: 2.1771854373175263
Energy: 2.1882494879734713
Energy: 2.177056515340931
Energy: 2.4208722690769933
Energy: 2.333087240616582
Energy: 2.177733974317135
Energy: 2.1778491168732197
Energy: 2.0620915417324537
Energy: 2.178262805639993
Energy: 2.4166638833462764
Energy: 2.240946654710715
Energy: 2.422555593400692
Energy: 2.1794645293142145
Energy: 2.0654271542036122
Energy: 2.178554700655853
Energy: 2.4489614695887765
Energy: 2.330583651996469
Energy: 2.528875877793584
Energy: 2.5277735814012043
Energy: 2.4115392754875895
Energy: 2.4876470939222206
Energy: 2.449247000620578
Energy: 2.458576222690019
Energy: 2.5692925303260985
Energy: 2.5285716404116845
Energy: 2.4820169663850598
Energy: 2.4884634191639825
Energy: 2.5212282410024334
Energy: 2.184259052768299
Energy: 2.529591503192182
Energy: 2.523880104421332
Energy: 2.340950178015499
Energy: 2.424279667254139
Energy: 2.4112069873898903
Energy: 2.06383804047511
Energy: 2.177185412135922
Energy: 2.4993975987353045
Energy: 2.2321785709284208
Energy: 2.1782183949868785
Energy: 2.063666781467935
Energy: 2.192994441988199
Energy: 2.1787650126235616
Energy: 2.3347567485881653
Energy: 1.9655720417332372
Energy: 2.177582983202491
Energy: 2.1787992058525885
Energy: 2.193956929574095
Energy: 2.302816796426043
Energy: 2.423576661194892
Energy: 2.4408003673792837
Energy: 2.42044811781452
Energy: 2.178596478244641
Energy: 2.3706788606444578
Energy: 2.4209339229935436
Energy: 2.4515534237816214
Energy: 2.4823955718174937
Energy: 2.4206930199531036
Energy: 2.4218126252695913
Energy: 2.3703216192944994
Energy: 2.4209762779418083
Energy: 2.4224729814817363
Energy: 2.314800064858437
Energy: 2.4215786891255537
Energy: 2.4204612681312843
Energy: 2.2063088872399303
Energy: 2.4699978268769143
Energy: 2.4192949264926074
Energy: 2.318872630947289
Energy: 2.5617451360158916
Energy: 2.1781886208354058
Energy: 2.1931568851563537
Energy: 2.420897427302388
Energy: 2.4309736542385036
Energy: 2.314686462925514
Energy: 2.420486222868
Energy: 2.601956540911708
Energy: 2.1940131347065353
Energy: 2.420644999169779
Energy: 2.4478763747012984
Energy: 2.481440258228045
Energy: 2.4508889828910823
Energy: 2.4826225123981973
Energy: 2.193641682284264
Energy: 2.178083947247347
Energy: 2.4529059763510217
Energy: 2.338670815560498
Energy: 2.422949564332149
Energy: 2.1786689119819598
Energy: 2.1934686274582824
Energy: 2.1769511911907267
Energy: 2.4223365177244043
Energy: 2.0821799022163354
Energy: 2.177299168996553
Energy: 2.1783466614321454
Energy: 2.0623052141989207
Energy: 2.1754192642241654
Energy: 2.177495322023273
Energy: 2.450478648923084
Energy: 2.1763985394140057
Energy: 2.1760192322833087
Energy: 2.2101757875381556
Energy: 2.1785320374252275
Energy: 2.561859640788984
Energy: 2.329990937252199
Energy: 2.423507515660133
Energy: 2.1854740276425457
Energy: 2.3792882584552864
Energy: 2.4881425940329143
Energy: 2.5264157530281683
Energy: 2.4125296375997594
Energy: 2.527951813791061
Energy: 2.5330031362026886
Energy: 2.329708389108799
Energy: 2.528808259548939
Energy: 2.527370060096988
Energy: 2.461109071893692
Energy: 2.5316279301321525
Energy: 2.5351408034767133
Energy: 2.2642139305171107
Energy: 2.422761734345396
Energy: 2.0634206726455253
Energy: 2.062444145680871
Energy: 2.469707305254311
Energy: 2.307516346189105
Energy: 2.188507060466677
Energy: 2.1781805126245963
Energy: 2.0627961828156587
Energy: 2.065264571481585
Energy: 2.1771618686918615
Energy: 2.334114456472625

minimum gb energy = 1.9655720417332372 eV
minimum distance =  2.40372280617088 Angstroms
sigma value = 27


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

Energy: 2.6087962704163905
Energy: 2.322168204837846
Energy: 2.243476850263448
Energy: 2.243371434982173
Energy: 2.1461495567243123
Energy: 2.612288452064829
Energy: 1.8004191795740698
Energy: 2.497425842467874
Energy: 2.227041702876809
Energy: 1.8012338587815513
Energy: 2.1424455077179068
Energy: 2.4966186986436765
Energy: 1.799440866044047
Energy: 2.1461712284992305
Energy: 2.144128590733557
Energy: 1.8022697063277702
Energy: 2.1442568780862334
Energy: 2.1440446506104047
Energy: 2.060272782707572
Energy: 2.158625904470568
Energy: 2.159260595120531
Energy: 2.2295867274764856
Energy: 2.1593158524635196
Energy: 2.1451862545813247
Energy: 1.8007409894633102
Energy: 2.1460724864913954
Energy: 2.3830331859910125
Energy: 1.8000658527109104
Energy: 2.496549025611333
Energy: 2.1475463212748798
Energy: 2.211948157554529
Energy: 2.147393478690879
Energy: 2.496189547955779
Energy: 2.228648130234627
Energy: 2.38344885081706
Energy: 2.2427039086030818
Energy: 1.904589712971727
Energy: 2.2438418300102922
Energy: 2.666908415742252
Energy: 2.615802565366328
Energy: 2.145211674672046
Energy: 2.243128750366536
Energy: 1.7993818009218778
Energy: 2.2273276687932704
Energy: 2.49628548239907
Energy: 1.800289166262495
Energy: 2.4962407486698552
Energy: 2.227329549744042
Energy: 1.8018974055805121
Energy: 2.1447465743468266
Energy: 2.143341717501281
Energy: 1.8004562356309373
Energy: 2.1439270616978123
Energy: 2.144342020996574
Energy: 2.0970644633230764
Energy: 2.159349025410651
Energy: 2.160879917060847
Energy: 2.2421749813514906
Energy: 2.1584075616565754
Energy: 2.144469251654675
Energy: 1.8008871795178023
Energy: 2.3759145388844924
Energy: 2.146274876177648
Energy: 1.800285167433981
Energy: 2.1463023673912547
Energy: 2.522238000460362
Energy: 1.8002542204551162
Energy: 2.4969879260078507
Energy: 2.2475365291234106
Energy: 2.212655882563935
Energy: 2.142650789786391
Energy: 2.496224372507332

minimum gb energy = 1.7993818009218778 eV
minimum distance =  2.42290511659094 Angstroms
sigma value = 9


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

Energy: 3.736244079402941
Energy: 2.1057783312896285
Energy: 1.972257571469037
Energy: 1.9733650913704053
Energy: 2.1051187535106672
Energy: 2.466232653489986
Energy: 2.2521408365653732
Energy: 2.1028410289529837
Energy: 2.101435193694081
Energy: 2.1159309878681385
Energy: 2.1012616088616687
Energy: 2.4918792919814834
Energy: 2.2609342679696476
Energy: 2.6490004479367917
Energy: 2.6825682858164086
Energy: 2.113340792108218
Energy: 2.582111384742502
Energy: 2.377788426931237
Energy: 2.5364202854680635
Energy: 2.608185173807331
Energy: 2.661817095788516
Energy: 2.240101920388435
Energy: 2.582586937581182
Energy: 2.319732598413633
Energy: 2.1205409243909727
Energy: 2.6058226790583308
Energy: 2.6955676856756856
Energy: 2.2540424441820295
Energy: 2.582016937649199
Energy: 2.343754114743933
Energy: 2.122900578384992
Energy: 2.1032504730344597
Energy: 2.6896438657903343
Energy: 2.2527730744644274
Energy: 2.102149328279484
Energy: 2.1016147425823704
Energy: 1.970412585822104
Energy: 2.102517711486918
Energy: 2.383930229234082
Energy: 2.5949311813081137
Energy: 2.1024259596523374
Energy: 1.9717802296620504
Energy: 1.9731942837226144
Energy: 2.102436427242412
Energy: 2.690632234425084
Energy: 2.2524989479642725
Energy: 2.102254991848693
Energy: 1.971144438574972
Energy: 1.9719317747193812
Energy: 2.52594771062304
Energy: 2.608528444150306
Energy: 2.2545672786302555
Energy: 2.693901028431633
Energy: 1.9725915404748289
Energy: 2.395393841643889
Energy: 2.5260028393585885
Energy: 2.5123905656884014
Energy: 2.5500976452183997
Energy: 2.513408325645635
Energy: 1.9713433345865234
Energy: 2.19419692031069
Energy: 2.5418331255902427
Energy: 2.5112232544878657
Energy: 2.3081199102458285
Energy: 2.512375918322046
Energy: 2.2630466943322274
Energy: 2.193404362663532
Energy: 2.36411712718709
Energy: 2.365698305801088
Energy: 2.2556415139275168
Energy: 2.3621050094698193
Energy: 2.3912111584685105
Energy: 2.1051391395960004
Energy: 2.362451939433108
Energy: 2.244721039276886
Energy: 2.1147261370950745
Energy: 2.387536118260368
Energy: 2.580240405475928
Energy: 2.1937996786577734
Energy: 2.3631496922162816
Energy: 2.2465286459054274
Energy: 2.1424206598381685
Energy: 2.3622073349082036
Energy: 2.7109369167814625
Energy: 2.1952336974544613
Energy: 2.609486218627502
Energy: 2.2087528794326703
Energy: 2.11718109131543
Energy: 2.3599652750303566
Energy: 2.506783349493985
Energy: 2.2976110960637866
Energy: 2.3619449039694635
Energy: 2.209028096632102
Energy: 2.1415937642936482
Energy: 2.358151685925242
Energy: 2.437422370806544
Energy: 2.1895881649694307
Energy: 2.3614462959410494
Energy: 2.4324844072662124
Energy: 2.2527832162740493
Energy: 2.3637015288133827
Energy: 2.449922475744314
Energy: 2.1915798307604413
Energy: 2.513720490211551
Energy: 2.4142450247560743
Energy: 2.2602469635950726
Energy: 2.5109996824984764
Energy: 2.054209225974135
Energy: 1.9718461818646753
Energy: 2.508653175529833
Energy: 2.520124880634145
Energy: 2.106115898085256
Energy: 2.510019128395132
Energy: 2.500246618465465
Energy: 2.3925031576401765
Energy: 2.5309960243544642
Energy: 2.511199195041821
Energy: 2.2531542175934103
Energy: 2.5138607408747053
Energy: 2.4599118439394414
Energy: 1.9732243349836576
Energy: 1.9719618139651254
Energy: 2.697728676006407
Energy: 2.2785869140575383
Energy: 2.6491513449264965
Energy: 1.9728305416999834
Energy: 1.9736971242334078
Energy: 1.9720863027175017
Energy: 2.279311484196982
Energy: 2.861529557598571
Energy: 2.101946386300923
Energy: 1.972540127490605
Energy: 2.1096857602593926
Energy: 2.1006830754283095
Energy: 2.1023176949602007
Energy: 2.1867474876400674
Energy: 2.1012364593904764
Energy: 2.103463830765235
Energy: 2.1218111767988166
Energy: 2.6810682064376405
Energy: 2.627739500159792
Energy: 2.278990765474114
Energy: 2.6074733640237016
Energy: 2.102100703933812
Energy: 2.123746955444179
Energy: 2.6025808927191934
Energy: 2.6043997134477035
Energy: 2.1125257808067506
Energy: 2.582513538314961
Energy: 2.6005721953082848
Energy: 2.1199328576936596
Energy: 2.6806439419696257
Energy: 2.597973426396558
Energy: 2.5355622409365015
Energy: 2.6028612267020756
Energy: 2.679122927550747
Energy: 2.250281252151167
Energy: 2.5832095828175063
Energy: 2.1016074608888724
Energy: 2.1138437455716947
Energy: 2.1015890197299982
Energy: 2.3758622672696093
Energy: 2.2418025304970857
Energy: 2.1025439869885543
Energy: 2.1018918085176934
Energy: 2.1440582175659864
Energy: 2.1020452373768377
Energy: 2.3622903951664864
Energy: 2.1887763391208894
Energy: 2.102331822672636
Energy: 2.102646569501851
Energy: 1.971313894624308
Energy: 2.1022534885377793
Energy: 2.368107317322951
Energy: 2.2527331045120715
Energy: 2.694118432437405
Energy: 1.9716419710796098
Energy: 1.9720123155505447
Energy: 2.525086047789607
Energy: 2.551888743017191
Energy: 2.3250306576012454
Energy: 2.510781819877123
Energy: 2.519673582152672
Energy: 2.3917513858974693
Energy: 2.5367539353157635
Energy: 2.511819392989015
Energy: 2.3267831923528157
Energy: 2.515608997656392
Energy: 2.5473732074115354
Energy: 2.038944398978582
Energy: 2.545005614613652
Energy: 2.7453140954377258
Energy: 2.262048394672279
Energy: 2.361493861684015
Energy: 2.5081554804528023
Energy: 2.194778483957007
Energy: 2.612846493394298
Energy: 2.2405195386987895
Energy: 2.2797026086219545
Energy: 2.3621606431574866
Energy: 2.3644897635511013
Energy: 2.601753712547633
Energy: 2.3631429946062568
Energy: 2.1625790143394226
Energy: 2.137639173959169
Energy: 2.3644320303949615
Energy: 2.361466588618545
Energy: 2.245162438243904
Energy: 2.3693559602858603
Energy: 2.235497805392963
Energy: 2.148643719504068
Energy: 2.1148565701818276
Energy: 2.4966545537394853
Energy: 2.1937684388282728
Energy: 2.720880116408469
Energy: 2.1196520490909885
Energy: 2.1410945022193277
Energy: 2.3611320246254874
Energy: 2.361439365703179
Energy: 2.1899075459877
Energy: 2.3613763481148995
Energy: 2.1394194067068057
Energy: 2.2763253770148713
Energy: 2.3621213677172883
Energy: 2.4379971051940945
Energy: 2.2778332701340216
Energy: 2.3627162691273362
Energy: 2.2012582546142885
Energy: 2.2618204981689893
Energy: 2.3615400805150983
Energy: 2.5771670029698837
Energy: 2.1934319132482645
Energy: 2.5777603024695956
Energy: 2.2401929759765205
Energy: 2.1058815035328164
Energy: 2.5132050662060244
Energy: 2.585079882858239
Energy: 2.177768334696328
Energy: 2.5134743293520208
Energy: 2.5124455819685
Energy: 2.261141159991161
Energy: 2.5114478924509442
Energy: 2.532614048800844
Energy: 2.3889473390732276
Energy: 2.5192854439981454
Energy: 2.511469250517808
Energy: 2.254912717701075
Energy: 2.531137607188119
Energy: 1.9723826479671343
Energy: 1.971809871234371
Energy: 2.4032909678291303
Energy: 2.509515204154455
Energy: 2.186661889173369
Energy: 2.1022707344715554
Energy: 1.9717672538091786
Energy: 1.9713923400261844
Energy: 2.1004638191730414
Energy: 2.7121305560562092

minimum gb energy = 1.970412585822104 eV
minimum distance =  2.39378934488211 Angstroms
sigma value = 57


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

Energy: 3.4975924221768437
Energy: 2.153841845346543
Energy: 1.7502937499467612
Energy: 1.7537540396433338
Energy: 1.7505231867944295
Energy: 2.5445400386261463
Energy: 1.7492654198187627
Energy: 2.5214828722824842
Energy: 1.7499238759154714
Energy: 1.7499899120929507
Energy: 2.152650156001067
Energy: 2.692013026725425
Energy: 2.2218248138813435
Energy: 2.2097927579943386
Energy: 2.5228719652923997
Energy: 1.749699706326997
Energy: 2.524987564031893
Energy: 2.154455476504671
Energy: 2.1635216279787923
Energy: 2.206761824370173
Energy: 2.523483439762188
Energy: 2.2078612426863944
Energy: 2.5184222740273556
Energy: 1.7470123355695402
Energy: 1.7464037016139162
Energy: 2.206677177469051
Energy: 2.515528227515513
Energy: 1.7525258630376261
Energy: 2.5184488461089947
Energy: 2.206879847190238
Energy: 1.7495578708290416
Energy: 2.1518488468192523
Energy: 2.523661556786508
Energy: 1.7504556783155067
Energy: 2.1528477353086095
Energy: 2.1529993125970783
Energy: 1.813154636254522
Energy: 2.1818156767006043
Energy: 2.1824437324518726
Energy: 2.8016005403996065
Energy: 2.182153753777196
Energy: 1.8141377501007845
Energy: 1.953515175715813
Energy: 2.151916339031585
Energy: 2.5216822531170715
Energy: 2.1558600221988904
Energy: 2.1524719284730596
Energy: 2.1561121943575055
Energy: 1.9731134674231554
Energy: 1.8125633157325656
Energy: 2.546197768780504
Energy: 1.7498963303573156
Energy: 2.522197286979707
Energy: 1.813079195454298
Energy: 1.96971649760082
Energy: 1.8129005339742439
Energy: 2.4918177206484
Energy: 2.4913428177847985
Energy: 2.1530640329385067
Energy: 1.8129012193906935
Energy: 2.22185445491194
Energy: 1.7502515214196666
Energy: 2.152864283422784
Energy: 1.747121924987026
Energy: 2.152629795036563
Energy: 1.7503104267675136
Energy: 1.7493960370211525
Energy: 2.2069624375620847
Energy: 2.210918169812604
Energy: 1.7498781496669624
Energy: 2.2216278579504545
Energy: 2.362692905762298
Energy: 1.7501306909168632
Energy: 2.517217608973611
Energy: 2.206651912076303
Energy: 2.15388666678255
Energy: 2.2069706522306847
Energy: 2.517096162308556
Energy: 2.2278620215826135
Energy: 2.5220634828655424
Energy: 2.206579501397483
Energy: 2.1295785595259398
Energy: 2.522527819895739
Energy: 2.207815331883719
Energy: 2.2215014383100256
Energy: 2.5174851473611035
Energy: 2.1531985497229287
Energy: 1.7496275478682954
Energy: 2.1532587519688087
Energy: 2.517157538617994
Energy: 2.210228158492243
Energy: 2.1536608872519127
Energy: 2.181918200138261
Energy: 1.7496884115335576
Energy: 2.18182539262466
Energy: 2.2049938151481085
Energy: 2.2101448774063095
Energy: 2.152503725730764
Energy: 2.1520994721902267
Energy: 1.958904572634608
Energy: 2.1519484997884004
Energy: 2.153270988281156
Energy: 2.2241905001286395
Energy: 2.5455936122599576
Energy: 1.812704048560626
Energy: 1.8142740001024336
Energy: 2.182280948935746
Energy: 2.517115876244847
Energy: 2.6698653761572406
Energy: 2.153040568358432
Energy: 1.9685457668043147
Energy: 1.944875744431361
Energy: 2.151970956766936
Energy: 2.5170917467951717

minimum gb energy = 1.7464037016139162 eV
minimum distance =  2.37682765315352 Angstroms
sigma value = 11


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

Energy: 2.574710451114916
Energy: 1.6933862023516133
Energy: 1.693784342885511
Energy: 1.89002259191813
Energy: 1.6933564564078996
Energy: 1.6787306782337672
Energy: 2.7191261884176345
Energy: 2.328366022406373
Energy: 2.0112553197032206
Energy: 2.0075167496918818
Energy: 2.1162272849732675
Energy: 2.434418237688319
Energy: 2.359355779619179
Energy: 2.383621133391828
Energy: 2.0976030632644482
Energy: 2.006821532981399
Energy: 2.375194108382487
Energy: 2.481758373676532
Energy: 2.347263092337901
Energy: 2.37351203317183
Energy: 2.0993239834718205
Energy: 2.005756251785927
Energy: 2.374447328593035
Energy: 2.464864676958235
Energy: 2.346650467978873
Energy: 2.372728679632258
Energy: 2.3998134415388215
Energy: 2.356930165394721
Energy: 2.3736504516587753
Energy: 2.4642906606583814
Energy: 2.3543716886735444
Energy: 2.499436151187429
Energy: 2.376591471385655
Energy: 2.348812181804522
Energy: 2.3737922936644384
Energy: 2.415391101862869
Energy: 1.9972545915970992
Energy: 2.1049159397668795
Energy: 2.373911816253203
Energy: 2.002380426802534
Energy: 2.387007037011722
Energy: 2.1047004887984797
Energy: 1.8859365133005417
Energy: 2.3834728912179903
Energy: 2.4004657038171993
Energy: 2.4363447958660958
Energy: 2.3872300011148004
Energy: 2.208091326071913
Energy: 2.0015791084329146
Energy: 1.9920905951855343
Energy: 2.3883682397544086
Energy: 2.4371451264390247
Energy: 2.0957584463020624
Energy: 1.994436530335474
Energy: 2.008447738124991
Energy: 1.9899785513824575
Energy: 1.9913005406383542
Energy: 2.415852743755527
Energy: 1.989352078267139
Energy: 1.9915571912968495
Energy: 1.778517674665937
Energy: 1.9906055146553197
Energy: 1.9904194610314194
Energy: 2.35385064673246
Energy: 1.9902956114042125
Energy: 1.6942863588607031
Energy: 1.6924880386614944
Energy: 1.6934318801899009
Energy: 2.3763437222908594
Energy: 2.414387586411638
Energy: 2.323811930138163
Energy: 1.6930486886422988
Energy: 1.7745898098236983
Energy: 1.989182913739422
Energy: 2.3731689539548406
Energy: 2.442092207653632
Energy: 1.9893980571990475
Energy: 1.7730240207482197
Energy: 1.6569384594839096
Energy: 1.65662979009935
Energy: 2.2994512921220376
Energy: 2.342731512616122
Energy: 1.9907183808999618
Energy: 1.657523693769323
Energy: 2.0105100415813943
Energy: 2.1253441733209
Energy: 2.4346525683574085
Energy: 2.5188468213489137
Energy: 2.373599216210277
Energy: 2.0090522963570825
Energy: 2.0105994401190315
Energy: 2.388595065179472
Energy: 2.404721466289576
Energy: 2.4144222906889414
Energy: 2.383231818753931
Energy: 2.098392202024212
Energy: 2.011812949858338
Energy: 2.405195198109743
Energy: 2.4659515919510113
Energy: 2.3490531166123203
Energy: 2.3720608287450853
Energy: 2.1054132865757587
Energy: 2.3478096517926526
Energy: 2.373765430101528
Energy: 2.373463706500149
Energy: 2.3477082265658393
Energy: 2.373695162578386
Energy: 2.40369437337408
Energy: 2.7175183236508267
Energy: 2.373231669338007
Energy: 2.428597879395188
Energy: 2.353579675972787
Energy: 2.4975115395515592
Energy: 2.373054624581658
Energy: 2.002409209032432
Energy: 2.372435188585094
Energy: 2.0969805172031535
Energy: 1.9928076965284287
Energy: 2.1065990689597482
Energy: 2.37324260799287
Energy: 2.714352694239611
Energy: 2.3832826554035678
Energy: 2.0957138908515653
Energy: 1.9003307929073625
Energy: 2.371896768612244
Energy: 2.40064235487042
Energy: 2.7252888661791217
Energy: 2.0944370639929817
Energy: 1.996906224999414
Energy: 2.0016480711796834
Energy: 1.992016790372048
Energy: 2.4447906255361507
Energy: 2.7083965944971946
Energy: 1.990752242400871
Energy: 1.9922196034635506
Energy: 1.6572699334979861
Energy: 1.9923923381116722
Energy: 2.3953152758724525
Energy: 2.7090799435134723
Energy: 1.9900517280994945
Energy: 1.9943332607819257
Energy: 1.7721243783499818
Energy: 1.988979178709104
Energy: 1.992565797694898
Energy: 2.720832829851752
Energy: 2.3257402345335723
Energy: 1.692749872018728
Energy: 1.6946915069525337
Energy: 1.9939125693126722
Energy: 2.435128789166356
Energy: 3.087872511210617
Energy: 1.9907685143801739
Energy: 1.6942486529885357
Energy: 1.7780073059328847
Energy: 1.9890213557090453
Energy: 2.3024614411451516

minimum gb energy = 1.65662979009935 eV
minimum distance =  2.35634940394271 Angstroms
sigma value = 41


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

Energy: 3.002745550914785
Energy: 1.5946067013506016
Energy: 1.593890454917463
Energy: 1.5944384271571688
Energy: 1.5947471127032353
Energy: 2.2633122533433054
Energy: 3.0160076878542084
Energy: 1.9509345981491981
Energy: 1.8242209373788723
Energy: 1.8262367290360242
Energy: 1.9249581040244874
Energy: 2.2437193289838326
Energy: 2.7089897812658914
Energy: 2.1794433759090865
Energy: 1.9249118959717253
Energy: 1.8244837492666437
Energy: 2.159907964168821
Energy: 2.254568607564137
Energy: 2.6834659357720594
Energy: 2.1656423338550854
Energy: 1.9250639859231864
Energy: 1.8246147330509872
Energy: 1.9245404049785788
Energy: 2.2331059715974173
Energy: 2.699814996439276
Energy: 2.165530913220482
Energy: 2.2129917327562767
Energy: 2.1938176249801056
Energy: 2.1657804694637517
Energy: 2.2326784563594892
Energy: 2.7088455704662917
Energy: 2.242429308640761
Energy: 2.2943311907341344
Energy: 2.190445621432773
Energy: 2.2486876732376193
Energy: 2.241844897087991
Energy: 2.4129500535296744
Energy: 2.247023001933854
Energy: 2.241769916245676
Energy: 2.248300530300665
Energy: 2.250891940033209
Energy: 2.2468480689947974
Energy: 2.0988438866613697
Energy: 2.249067043011595
Energy: 2.2687868469019907
Energy: 2.192630683499221
Energy: 2.2524111313296826
Energy: 2.222205917678286
Energy: 2.4123091477134384
Energy: 2.2691210288224144
Energy: 2.242819848937592
Energy: 2.2420442360910213
Energy: 2.241905149825882
Energy: 2.193282840813762
Energy: 2.093874297178989
Energy: 2.1942685180790074
Energy: 2.1662975137885736
Energy: 2.1892307035710896
Energy: 2.165569387208885
Energy: 2.1963626070929165
Energy: 1.821230789353476
Energy: 1.9505547982716105
Energy: 2.1662573925751687
Energy: 2.190412897640377
Energy: 2.165927577667034
Energy: 1.9254719903540642
Energy: 1.8135669343454281
Energy: 1.9245828647662926
Energy: 2.2534544576264928
Energy: 2.251756206659608
Energy: 2.1739518075321302
Energy: 1.9264302794304398
Energy: 1.8166967219312866
Energy: 1.8243009812638618
Energy: 1.8265194404894796
Energy: 2.2480856402740477
Energy: 1.8263984503224107
Energy: 1.82416279076394
Energy: 1.593188544927452
Energy: 1.5942589590498695
Energy: 1.9477065406006049
Energy: 1.947419418513327
Energy: 1.628936417183069
Energy: 1.5942074480790083
Energy: 1.633719472105626
Energy: 1.8251425029439305
Energy: 2.165896140620052
Energy: 2.255297393925469
Energy: 1.8264879283348108
Energy: 1.5936442274012441
Energy: 1.6344886122286888
Energy: 1.82566734134869
Energy: 2.1664192761349828
Energy: 2.2540085742520657
Energy: 1.5946545275621054
Energy: 1.5939493330406036
Energy: 1.593341305224798
Energy: 1.5945051725061756
Energy: 1.71254662623774
Energy: 2.2340761390006465
Energy: 1.8215612319184005
Energy: 1.5941704508352987
Energy: 1.825983016030396
Energy: 1.8271196601183681
Energy: 1.8278743633834766
Energy: 2.232231441537198
Energy: 1.8271722626861502
Energy: 1.825014857429965
Energy: 1.8271686021173836
Energy: 1.9246363195571607
Energy: 2.2440548836387286
Energy: 2.241580942827498
Energy: 1.9509799906905765
Energy: 1.9253228493978676
Energy: 1.8172420012759782
Energy: 2.1600111540740152
Energy: 2.165348892447576
Energy: 2.2317485606177803
Energy: 2.1658280300548767
Energy: 1.92493618818218
Energy: 2.397043627154333
Energy: 1.9508081693406318
Energy: 2.2312383602364507
Energy: 2.233145375124993
Energy: 2.1651035762432715
Energy: 2.1997886744039192
Energy: 2.406199752131695
Energy: 2.169944045110375
Energy: 2.242796811871401
Energy: 2.241730455991555
Energy: 2.242046012340381
Energy: 2.1659634131450396
Energy: 2.4134432215359665
Energy: 2.2505145491819083
Energy: 2.26836334447582
Energy: 2.19284972910656
Energy: 2.253537150331045
Energy: 2.2486519233851796
Energy: 2.406517427106985
Energy: 2.247389200816909
Energy: 2.248994444686916
Energy: 2.0950248675413095
Energy: 2.2415539461621465
Energy: 2.248007824483747
Energy: 2.7084762005357024
Energy: 2.241913352812825
Energy: 2.2481325316995178
Energy: 2.1933182549887453
Energy: 2.248045706157609
Energy: 2.2422676625414635
Energy: 2.389213910660455
Energy: 2.1656379251584488
Energy: 2.1955227448715795
Energy: 2.1935572885353474
Energy: 2.1935080884960843
Energy: 2.1658805677925357
Energy: 2.3847293472481685
Energy: 2.165979242729079
Energy: 1.9242939258885694
Energy: 1.8262452065563455
Energy: 1.9512063876399852
Energy: 2.1662097670253764
Energy: 3.016783408511595
Energy: 2.1737049942879687
Energy: 1.9247299344485287
Energy: 1.924739989789533
Energy: 2.165717996497118
Energy: 2.253984249204313
Energy: 2.7300599219895503
Energy: 1.9510966434125994
Energy: 1.8263518287730454
Energy: 1.8161649068220522
Energy: 1.8277146846054968
Energy: 2.2455985305320882
Energy: 2.682278215034189
Energy: 1.6288993521750357
Energy: 1.5519476642534846
Energy: 1.5511395298280994
Energy: 1.5943449149114899
Energy: 1.9485547957615452
Energy: 2.7087624894541484
Energy: 1.827395396114552
Energy: 1.8255598596555196
Energy: 1.6294629574187813
Energy: 1.8261975352391522
Energy: 2.2447349855347176
Energy: 3.0343491388928188
Energy: 2.166022832283378
Energy: 1.594030010568882
Energy: 1.5949259326969982
Energy: 1.5960923621873087
Energy: 2.244283904052855
Energy: 2.67457799845231
Energy: 1.826146202410912
Energy: 1.5959729865554368
Energy: 1.5946823006359705
Energy: 1.8251743460613006
Energy: 1.7203645109995445

minimum gb energy = 1.5511395298280994 eV
minimum distance =  2.42968469226383 Angstroms
sigma value = 33


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

Energy: 2.8157868568232693
Energy: 1.4323029432185304
Energy: 1.4290371397669206
Energy: 1.645734666954963
Energy: 1.4287051507494823
Energy: 1.933209894673144
Energy: 3.1143887466714766
Energy: 1.4583085066747639
Energy: 1.596442997223812
Energy: 1.596359375615051
Energy: 1.6674595802353622
Energy: 1.8714541837484397
Energy: 3.1107463740550974
Energy: 1.9482294308111143
Energy: 1.670388598074445
Energy: 1.5893740694569467
Energy: 1.6705143379863416
Energy: 1.9419895251934622
Energy: 2.6212166771121623
Energy: 1.666050806692989
Energy: 1.6680771818444302
Energy: 1.5943059277066114
Energy: 1.670507619881926
Energy: 1.9298609787096703
Energy: 2.6211397547276425
Energy: 1.6668926562195285
Energy: 1.8742422448246818
Energy: 1.8709471756700125
Energy: 1.8692154191089332
Energy: 1.929931735422898
Energy: 3.1114761657138486
Energy: 1.961015081483149
Energy: 1.9520616350811575
Energy: 1.8742670909652048
Energy: 1.9522848477183603
Energy: 1.960826107516234
Energy: 2.8793486400586645
Energy: 1.9613553636747731
Energy: 1.9521283441855861
Energy: 1.9494314663388468
Energy: 1.9609347964693378
Energy: 2.0019428408064446
Energy: 2.1832390449002297
Energy: 1.9624068487830564
Energy: 1.973678859386558
Energy: 1.9251300042125346
Energy: 1.9461921343678945
Energy: 1.980870159124133
Energy: 2.878333916351666
Energy: 1.9880233663633418
Energy: 1.9777175143801757
Energy: 1.9601335604732726
Energy: 1.9580104456445693
Energy: 1.987217867829153
Energy: 2.6562562140932693
Energy: 1.982357228752708
Energy: 1.982976738874922
Energy: 1.9972887545485967
Energy: 1.9839740215051884
Energy: 1.9819120623944724
Energy: 2.1905478883414466
Energy: 1.9827792145483285
Energy: 1.9983821031844506
Energy: 2.0059167711752317
Energy: 1.986875928801271
Energy: 1.9836592796500196
Energy: 2.1915809998850686
Energy: 1.9947878202276228
Energy: 1.9819424821557439
Energy: 1.9829478237975553
Energy: 1.9844480066980976
Energy: 1.9950717124514796
Energy: 2.4267195934786363
Energy: 1.9586803229404794
Energy: 1.9609073019837322
Energy: 1.9874279118617144
Energy: 1.9573046072257823
Energy: 1.960401872302618
Energy: 1.9986224158688093
Energy: 1.9529944430700645
Energy: 1.9587998215440041
Energy: 1.9954879238916698
Energy: 1.9595171390050603
Energy: 1.95052534102182
Energy: 1.9921335446846398
Energy: 1.9449605821801794
Energy: 1.9607329446880282
Energy: 1.988513129308209
Energy: 1.9589296632213382
Energy: 1.9536214024136658
Energy: 1.9979931924363623
Energy: 1.9330773559245673
Energy: 1.965563941743444
Energy: 1.9676666977526238
Energy: 1.965201949684177
Energy: 1.8689326918017763
Energy: 1.997460712616292
Energy: 1.8480950804453438
Energy: 1.9580235794995007
Energy: 1.9582841590705646
Energy: 1.6963809803755674
Energy: 1.8714187218107832
Energy: 1.597285856169306
Energy: 1.6684863381526145
Energy: 1.6673101606756444
Energy: 1.9892435016545957
Energy: 1.6665061687455796
Energy: 1.6687028002808575
Energy: 1.5920722568773593
Energy: 1.6687823214546333
Energy: 1.942131021776347
Energy: 1.9596919771986274
Energy: 1.6964667074421287
Energy: 1.6702975140492988
Energy: 1.6010642647507562
Energy: 1.5968649440001221
Energy: 1.429359263355275
Energy: 1.7192467450269142
Energy: 1.4306394230248531
Energy: 1.5980157803073465
Energy: 1.4262319744879737
Energy: 1.4277829111291696
Energy: 1.6971251285752371
Energy: 1.9582429796591991
Energy: 1.4303745337554596
Energy: 1.4316026020160866
Energy: 1.456280827292178
Energy: 1.4295885420131191
Energy: 1.9343842740951591
Energy: 1.9477502780950808
Energy: 1.458450292292363
Energy: 1.4325427009134055
Energy: 1.4534265241491233
Energy: 1.4590015370673606
Energy: 1.9337623613049124
Energy: 1.94425322301501
Energy: 1.4538836943496711
Energy: 1.4534119786596265
Energy: 1.4292364746286603
Energy: 1.4280261215004695
Energy: 1.9312362632289872
Energy: 1.9321777769352093
Energy: 1.428668560371396
Energy: 1.43230355286369
Energy: 1.5979306943629625
Energy: 1.5968413990344044
Energy: 1.6679345963798726
Energy: 1.9919117319513762
Energy: 1.4318063392259779
Energy: 1.5982212215601648
Energy: 1.5961288086677152
Energy: 1.6701189371654122
Energy: 1.9402912212543357
Energy: 1.9601566345278814
Energy: 1.9354173360701727
Energy: 1.6681732051396612
Energy: 1.5945136136715765
Energy: 1.6709567866171762
Energy: 1.7322443633099118
Energy: 1.9792107583291692
Energy: 1.6674547687499757
Energy: 1.6696098483824533
Energy: 1.999142506750575
Energy: 1.8702725515395322
Energy: 1.9299141354463387
Energy: 2.025133016604766
Energy: 1.6977803182069475
Energy: 1.876043116787646
Energy: 1.9817979078454715
Energy: 1.9501968574655968
Energy: 1.9505138111593345
Energy: 1.9845934607898608
Energy: 1.9655899613829686
Energy: 1.9265215366575081
Energy: 1.9886741443328841
Energy: 1.9661929857730656
Energy: 2.003101409560855
Energy: 1.9919600183424138
Energy: 1.9596238540545488
Energy: 1.949750121981233
Energy: 1.991495240220858
Energy: 1.9500117161800399
Energy: 1.977652994849416
Energy: 1.9974375274939469
Energy: 1.9612817493600259
Energy: 1.9534894567154555
Energy: 2.4263057237700747
Energy: 1.963182026831909
Energy: 1.9897614616717947
Energy: 1.9916907935522625
Energy: 1.9601083257276641
Energy: 1.9586347807449664
Energy: 2.423264568991526
Energy: 1.9822056262784873
Energy: 1.9821493312486602
Energy: 1.9822453445522932
Energy: 1.9841754442207387
Energy: 1.9958543330044285
Energy: 2.423911473239045
Energy: 1.9869731523133916
Energy: 1.9839920878940767
Energy: 1.9922264496266289
Energy: 1.9853496574430434
Energy: 1.9960729081391775
Energy: 2.889033836669163
Energy: 1.9830370807122268
Energy: 1.9836620027864604
Energy: 1.9917646772632391
Energy: 1.985765072543259
Energy: 1.981759945626721
Energy: 2.8550206004486913
Energy: 1.986829922319237
Energy: 1.9623369339776366
Energy: 1.959165159362395
Energy: 1.9622292091467224
Energy: 1.9866585828059529
Energy: 2.4047677965361154
Energy: 1.961315128257179
Energy: 1.9537449109731444
Energy: 1.8683894345883658
Energy: 1.9493953073638814
Energy: 1.9943021858687866
Energy: 2.8845538680910265
Energy: 1.959696689885947
Energy: 1.9550627902167241
Energy: 1.7849449204333843
Energy: 1.958012748452909
Energy: 1.9892690668517328
Energy: 3.115667344761704
Energy: 1.9663483112740627
Energy: 1.9308244032949817
Energy: 1.8691011517872982
Energy: 1.9494434618212204
Energy: 1.9675957207606811
Energy: 2.8485715508124363
Energy: 1.6982950055966457
Energy: 1.8704698191767097
Energy: 1.8726461438261963
Energy: 1.8699138453309296
Energy: 1.9591082845593633
Energy: 2.848639559063455
Energy: 1.6689428830306454
Energy: 1.6700416332319343
Energy: 1.5960501367270603
Energy: 1.6669314808550058
Energy: 1.6687272244491975
Energy: 3.1134923997709074
Energy: 1.9474477548217015
Energy: 1.668115672583824
Energy: 1.5945914741236724
Energy: 1.6969659061201443
Energy: 1.9629584433410299
Energy: 3.0721662277909094
Energy: 1.458420098794889
Energy: 1.5962788326020925
Energy: 1.5984685453040581
Energy: 1.6677425898476534
Energy: 1.4290723859635714
Energy: 2.8365497470034553
Energy: 1.4296938061517006
Energy: 1.4275915258241059
Energy: 1.4300273971757065
Energy: 1.428219532705983
Energy: 1.9466606329660552
Energy: 3.1098779956578584
Energy: 1.4611681775294063
Energy: 1.4320832998885393
Energy: 1.4536931889518554
Energy: 1.4577804901858031
Energy: 1.9341972645417207
Energy: 3.1181664003482004
Energy: 1.6686295936505895
Energy: 1.429176038447667
Energy: 1.4569328509128834
Energy: 1.437578872248658
Energy: 1.9334080876857043
Energy: 3.057867597353094
Energy: 1.4318011107667183
Energy: 1.4272109481171191
Energy: 1.4270905658728736
Energy: 1.427637123012112
Energy: 1.928611301979825

minimum gb energy = 1.4262319744879737 eV
minimum distance =  2.43231959027805 Angstroms
sigma value = 67


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

Energy: 0.5118152823911059
Energy: 0.9532785242620414
Energy: 0.7087941959204932
Energy: 0.708895540224435
Energy: 0.9555189772736705
Energy: 0.5123291483078949
Energy: 2.6896855023330524
Energy: 0.7086676523824837
Energy: 0.7349016742903391
Energy: 0.7391716425945275
Energy: 0.7086847921041165
Energy: 0.7089560446084074
Energy: 2.6909617674397968
Energy: 0.7391926792222275
Energy: 0.7404651203980396
Energy: 0.709763242183661
Energy: 0.739607238165457
Energy: 0.739304162886394
Energy: 0.5125994063318856
Energy: 0.7569898072533534
Energy: 0.7415758879876244
Energy: 0.7384737138862996
Energy: 0.7473162120437513
Energy: 0.5129814667693493
Energy: 0.558924714659816
Energy: 0.7549225952221194
Energy: 0.7550730189539541
Energy: 0.7550335955537771
Energy: 0.7557445340497865
Energy: 0.5589717310252083
Energy: 2.691650960872337
Energy: 0.739697585253779
Energy: 0.7394299514465623
Energy: 0.737369106171688
Energy: 0.743671882610948
Energy: 0.7398239441477613
Energy: 0.5127337911182669
Energy: 0.7092978086630289
Energy: 0.7389918571472124
Energy: 0.7310623910336904
Energy: 0.7110656452782154
Energy: 0.7095632877947695

minimum gb energy = 0.5118152823911059 eV
minimum distance =  2.66696459100492 Angstroms
sigma value = 3


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

Energy: 3.1558423862687603
Energy: 1.5993075359716853
Energy: 1.4347213752012233
Energy: 1.735786399278449
Energy: 1.5991506354715015
Energy: 1.8250270849570538
Energy: 3.0180469047989233
Energy: 1.4455190018315531
Energy: 1.4292601451285059
Energy: 1.444908515372853
Energy: 1.4297203847084474
Energy: 1.8301475961826754
Energy: 3.082442604112542
Energy: 1.5470032116745778
Energy: 1.437288511266864
Energy: 1.445473638311635
Energy: 1.437357299348865
Energy: 1.8264588911438981
Energy: 3.257042897957394
Energy: 1.6065038454345324
Energy: 1.434443514446273
Energy: 1.4370167935719365
Energy: 1.4287972902029766
Energy: 1.7972070269263638
Energy: 3.257457399059581
Energy: 1.6212072080402207
Energy: 1.5949217997875758
Energy: 1.586687692851217
Energy: 1.5950643470902766
Energy: 1.785960288785572
Energy: 2.9923356387166
Energy: 1.5489792637779694
Energy: 1.5471490286340952
Energy: 1.6152008554405808
Energy: 1.54696160276099
Energy: 1.4409214639352432
Energy: 3.029479949991842
Energy: 1.6625005219049716
Energy: 1.5942594844133893
Energy: 1.5927175648445
Energy: 1.5948668184998918
Energy: 1.8259766925147818
Energy: 2.8668210187216583
Energy: 1.7979617447993839
Energy: 1.7980198150427347
Energy: 1.5747781663043938
Energy: 1.797354255044897
Energy: 1.8560026126232574
Energy: 2.9745017140488113
Energy: 1.8713165742542917
Energy: 1.6565612512430326
Energy: 1.822049303276055
Energy: 1.8366832951643735
Energy: 1.8438982885364734
Energy: 2.979464626078114
Energy: 1.8841413677360206
Energy: 1.802118005411522
Energy: 1.8785545915113098
Energy: 1.8383193649336032
Energy: 1.8840907160851363
Energy: 2.841639796519537
Energy: 1.8749870495671823
Energy: 1.8744458127003185
Energy: 1.9978257064753038
Energy: 1.8778422908527612
Energy: 1.8751648582481448
Energy: 2.8419224926217423
Energy: 1.8745537842722912
Energy: 1.8777317289890056
Energy: 2.050558425856581
Energy: 1.8764959914207457
Energy: 1.8759916117926312
Energy: 2.800112147768145
Energy: 1.8747676728240148
Energy: 1.8829814023743654
Energy: 1.8573598248590422
Energy: 1.8835680034290367
Energy: 1.912508598406991
Energy: 2.826057163407749
Energy: 1.903549702447112
Energy: 1.8750987739260232
Energy: 1.876541544542111
Energy: 1.9548722344700653
Energy: 1.9031717210476282
Energy: 2.433560229331235
Energy: 1.904001688477355
Energy: 1.936360194132748
Energy: 1.923535184045452
Energy: 1.9064059016101176
Energy: 1.904328165333442
Energy: 2.3384551016104336
Energy: 1.9270758352922654
Energy: 1.9041169845160577
Energy: 1.9084066296079572
Energy: 1.9027385200669673
Energy: 1.905063171833901
Energy: 2.339934460393392
Energy: 1.8857095147939618
Energy: 1.9034684383822382
Energy: 1.936627928398958
Energy: 1.906462039373562
Energy: 1.879484930193289
Energy: 2.3397559907422116
Energy: 1.8945152876378946
Energy: 1.8914500842275181
Energy: 1.99061486615779
Energy: 1.8877095767951597
Energy: 1.8242592607290382
Energy: 2.3397686977548426
Energy: 1.8785913133501133
Energy: 1.8859712449525443
Energy: 1.89041486587041
Energy: 1.8858277843133846
Energy: 1.8793922620826793
Energy: 1.9572981630618942
Energy: 1.8113186103164747
Energy: 1.8779640334356968
Energy: 1.889616904107613
Energy: 1.8781665593751349
Energy: 1.7389025041946966
Energy: 1.9561971743912514
Energy: 1.7457597008421546
Energy: 1.9105762600737335
Energy: 1.9063776966776929
Energy: 1.7456042151206579
Energy: 1.7466308259477665
Energy: 1.9566387458020043
Energy: 1.7558905252117736
Energy: 1.75851162212503
Energy: 1.9566353718038518
Energy: 1.755013337264733
Energy: 1.765316942491923
Energy: 1.676898042718203
Energy: 1.746260230212915
Energy: 1.8418818530934544
Energy: 1.904445703432924
Energy: 1.7407126300735534
Energy: 1.7555431592037587
Energy: 1.664732284201779
Energy: 1.713011550173157
Energy: 1.757124417090012
Energy: 1.871806268969477
Energy: 1.756186419779703
Energy: 1.6753648541991155
Energy: 1.664304781595395
Energy: 1.727062481699357
Energy: 1.5519129695214835
Energy: 1.901258961182333
Energy: 1.726761570899713
Energy: 1.4252591155943382
Energy: 1.672791511210356
Energy: 1.6666030806391676
Energy: 1.7816171818690523
Energy: 1.8348483484203268
Energy: 1.747287853282519
Energy: 1.6670131872120921
Energy: 1.5293566724712426
Energy: 1.501492850925184
Energy: 1.758887957777497
Energy: 1.83547630609185
Energy: 1.7578213804148384
Energy: 1.5012395083576235
Energy: 1.5286030416031287
Energy: 1.5326397772097886
Energy: 1.8053824821725308
Energy: 1.9048670513065993
Energy: 1.5334655759942362
Energy: 1.4264204004347738
Energy: 1.520738807249575
Energy: 1.5417393258507024
Energy: 1.5592515903696147
Energy: 1.8947488112628141
Energy: 1.5581716554253813
Energy: 1.5279993748470224
Energy: 1.650572569936028
Energy: 1.5416076727934698
Energy: 1.7727329494905741
Energy: 1.8560874136291794
Energy: 1.52467144039393
Energy: 1.5419855918201473
Energy: 1.6453733767419454
Energy: 1.5618101523463874
Energy: 1.781267467258648
Energy: 1.8895259597689484
Energy: 1.562432220014779
Energy: 1.5614630570570098
Energy: 1.6066841199500477
Energy: 1.5412381569168554
Energy: 1.5840411267444012
Energy: 1.9015382126940616
Energy: 1.5432910886733164
Energy: 1.5416615622976615
Energy: 1.6402081877016155
Energy: 1.56769976198429
Energy: 1.8013083871718913
Energy: 1.9051604337700176
Energy: 1.8010794090518618
Energy: 1.5759499903239318
Energy: 1.9392140821545585
Energy: 1.8014638074797962
Energy: 1.8337139941112137
Energy: 1.8587924179916873
Energy: 1.8328728155517628
Energy: 1.8039839657445997
Energy: 1.938513959027051
Energy: 1.8373374951982329
Energy: 1.8509609373717404
Energy: 2.0003593903702157
Energy: 1.8367128335908134
Energy: 1.5844117852539186
Energy: 1.9425698275422951
Energy: 1.8322071694355189
Energy: 1.870509968184996
Energy: 1.8705059951515963
Energy: 1.8700898719968424
Energy: 1.8010035379773182
Energy: 2.2685351397423443
Energy: 1.8739490853540752
Energy: 1.8702497219245113
Energy: 1.906056967978644
Energy: 1.8697080474256524
Energy: 1.8701721591190097
Energy: 2.231843277817996
Energy: 1.8683249822004204
Energy: 1.912000996607304
Energy: 1.928945562122992
Energy: 1.9130777709227844
Energy: 1.8698994405121294
Energy: 2.3720289497988145
Energy: 1.8698595381128036
Energy: 1.9093480914993317
Energy: 1.9111344921933686
Energy: 1.9415118305284884
Energy: 1.8716743217140372
Energy: 2.352142577343252
Energy: 1.9082345761884438
Energy: 1.909575249475965
Energy: 1.8895897214922315
Energy: 1.9120809077756789
Energy: 1.946030832963869
Energy: 2.6372411609940034
Energy: 1.9078583326790113
Energy: 1.9073728691034648
Energy: 1.9091332778818473
Energy: 1.9096927857487245
Energy: 1.9078602510615328
Energy: 2.637253029229291
Energy: 1.907844013096097
Energy: 1.9240522717568436
Energy: 1.9675431193306552
Energy: 1.9115719702305525
Energy: 1.9080518666413155
Energy: 2.7598518992779058
Energy: 1.8906928481362741
Energy: 1.8773472746721023
Energy: 1.967612925213717
Energy: 1.8935200072842358
Energy: 1.9105534655798908
Energy: 2.761902220993389
Energy: 1.8771208806422823
Energy: 1.8839909583278092
Energy: 1.8773978856465094
Energy: 1.8870956608496476
Energy: 1.9160012275607565
Energy: 2.7205430985674037
Energy: 1.8769520389196461
Energy: 1.8802463490208337
Energy: 1.8013443683980772
Energy: 1.8767852273025656
Energy: 1.9192553467938853
Energy: 3.017352689590657
Energy: 1.8794969236460433
Energy: 1.816087195068698
Energy: 1.804889557044882
Energy: 1.8069722808452868
Energy: 1.8773028915695513
Energy: 3.0169132294565744
Energy: 1.7530759275174326
Energy: 1.7523909026978168
Energy: 1.8126758254832391
Energy: 1.7502131800468435
Energy: 1.7387111168555596
Energy: 3.0478816877144053
Energy: 1.808406024261419
Energy: 1.803245751824219
Energy: 1.8040102322601066
Energy: 1.797927634762855
Energy: 1.8279299700459037
Energy: 3.048399865971814
Energy: 1.8088146549538542
Energy: 1.6117855786484314
Energy: 1.591192281708963
Energy: 1.6426992354995305
Energy: 1.8182509609425468
Energy: 3.080735167501409
Energy: 1.7330147703330816
Energy: 1.5957523659954929
Energy: 1.5867934320406467
Energy: 1.6137737344355276
Energy: 1.7663443936374075
Energy: 3.016068545727605
Energy: 1.6367341215280127
Energy: 1.4423298570395118
Energy: 1.5868944039008306
Energy: 1.6366748048675284
Energy: 1.6475595072084988

minimum gb energy = 1.4252591155943382 eV
minimum distance =  2.40491054072434 Angstroms
sigma value = 81


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

Energy: 3.421651081949276
Energy: 1.8277681197352924
Energy: 1.60309145141578
Energy: 1.7064230002341159
Energy: 1.9070492829070946
Energy: 2.1205321562010004
Energy: 2.8081069417912445
Energy: 1.586295408786679
Energy: 1.5773004235263421
Energy: 1.598079870659193
Energy: 1.5835594759303115
Energy: 2.002045983731691
Energy: 3.0537797695103728
Energy: 1.7426529538440227
Energy: 1.5947891628572133
Energy: 1.5939849359752087
Energy: 1.595052381126995
Energy: 2.0928315651439693
Energy: 3.1846812945367424
Energy: 1.825808611772169
Energy: 1.5856125522844673
Energy: 1.58568454458118
Energy: 1.5852673700638342
Energy: 2.053077493690767
Energy: 2.9590538662554384
Energy: 1.8283198121907491
Energy: 1.816050752585464
Energy: 1.8122568890221018
Energy: 1.825167922973296
Energy: 2.064659272216601
Energy: 3.0546322777582624
Energy: 1.845470838453454
Energy: 1.7354056215281133
Energy: 1.8210393916858119
Energy: 1.7347309910619622
Energy: 2.1185186939117417
Energy: 2.8063553665317715
Energy: 2.0849922983124762
Energy: 1.8153912439062883
Energy: 1.8202584181374364
Energy: 1.8167341090637383
Energy: 2.106222156176647
Energy: 3.0139033273246363
Energy: 2.0825167629156134
Energy: 2.131058591550758
Energy: 1.8667920265946616
Energy: 2.086285129559829
Energy: 2.135208688746411
Energy: 2.6692218723663417
Energy: 2.142677526446338
Energy: 1.8901893084475836
Energy: 2.1004632999673665
Energy: 2.105603636425735
Energy: 2.1816516555516783
Energy: 2.649182460617356
Energy: 2.1459474852494758
Energy: 2.0825771786611478
Energy: 2.2286988418007367
Energy: 2.12282142750884
Energy: 2.1417917094544365
Energy: 2.441860381990226
Energy: 2.1410963446455193
Energy: 2.128030024671287
Energy: 2.24107591722236
Energy: 2.1445834217775293
Energy: 2.1395496341454425
Energy: 2.650260047042641
Energy: 2.13921871858578
Energy: 2.14177691848944
Energy: 2.132174703682548
Energy: 2.142203302932932
Energy: 2.141635590938185
Energy: 2.3365179023536697
Energy: 2.075845703116145
Energy: 2.141086025371352
Energy: 2.1314762684967365
Energy: 2.1397262049212102
Energy: 2.011319582635738
Energy: 2.3371760222409605
Energy: 2.015323165521441
Energy: 2.1455277349329465
Energy: 2.1170652962664747
Energy: 2.0142437867141587
Energy: 2.0149253558393547
Energy: 2.33602912104389
Energy: 2.0154627648825363
Energy: 2.0149055350024754
Energy: 2.234381629709376
Energy: 2.014833955858315
Energy: 2.014766274176729
Energy: 2.1041523352890037
Energy: 2.0143530412427957
Energy: 2.1019145228010134
Energy: 2.130979591815449
Energy: 2.009646833665871
Energy: 2.0147725310224556
Energy: 1.9219267765392185
Energy: 1.9675027353500258
Energy: 2.009104557281067
Energy: 2.1330828983616965
Energy: 2.016058920219099
Energy: 1.9245429704150754
Energy: 1.917917600490263
Energy: 1.5716538716625235
Energy: 2.070745741475829
Energy: 2.154588212685466
Energy: 1.9731682015650231
Energy: 1.5719815717305787
Energy: 1.9238027584346022
Energy: 1.9146635381080768
Energy: 2.0686343432815657
Energy: 2.1148702266185193
Energy: 2.054995808631675
Energy: 1.9160021672978353
Energy: 1.718152863277654
Energy: 1.6879268427716618
Energy: 2.055189598458111
Energy: 2.1147689233134597
Energy: 2.01865440746143
Energy: 1.6873718078437512
Energy: 1.7296932390818864
Energy: 1.7197960917843245
Energy: 2.0680229667079466
Energy: 2.2290678511202726
Energy: 1.7207846766691572
Energy: 1.571172692632848
Energy: 1.7064972691937634
Energy: 1.7316376648245246
Energy: 1.736829923237299
Energy: 2.1173818294384072
Energy: 1.7335260273446886
Energy: 1.7141570549419436
Energy: 1.7218702902371144
Energy: 1.7556215998314506
Energy: 2.0649273079918937
Energy: 2.158487779591882
Energy: 1.7310068518195219
Energy: 1.758055475134967
Energy: 1.8296038421569063
Energy: 1.7436475723956084
Energy: 1.7440386439487656
Energy: 2.2433897533097187
Energy: 1.7436800315337302
Energy: 1.7491059249610008
Energy: 1.8318581417651
Energy: 1.740698264043822
Energy: 2.1326198100332117
Energy: 2.2313859538225644
Energy: 1.7430105818655148
Energy: 1.7408444979541058
Energy: 1.8302996146979111
Energy: 1.790881023028554
Energy: 2.1161708887390898
Energy: 2.130805395576825
Energy: 2.089770835170223
Energy: 1.7269911300188558
Energy: 2.350017172462991
Energy: 2.0923554609983235
Energy: 2.116114551016799
Energy: 2.131696754595713
Energy: 2.11554378359481
Energy: 2.0920838405673643
Energy: 2.161417111695638
Energy: 2.0959836859770697
Energy: 2.1168094194666187
Energy: 2.285273073461224
Energy: 2.1170291320332573
Energy: 1.797111375600363
Energy: 2.3485166156640798
Energy: 2.117427487850259
Energy: 2.133847420568197
Energy: 2.2988149138618956
Energy: 2.1469086524765855
Energy: 2.0906466820917515
Energy: 2.3143225266788674
Energy: 2.185133442286077
Energy: 2.135392248593626
Energy: 2.121969390187534
Energy: 2.13580652446787
Energy: 2.1732815725410726
Energy: 2.729470733014297
Energy: 2.133442002430886
Energy: 2.150495637838323
Energy: 2.2899375952637233
Energy: 2.150853084580713
Energy: 2.1317459564876713
Energy: 2.7696111446432305
Energy: 2.135282999736035
Energy: 2.09328957444057
Energy: 2.112475726713666
Energy: 2.123105682510822
Energy: 2.1356690762618937
Energy: 2.7697148799309548
Energy: 2.109043821184388
Energy: 2.015305522137471
Energy: 2.1133386450337635
Energy: 2.095500605434023
Energy: 2.1376414257376912
Energy: 2.786418844529451
Energy: 2.1088262909353217
Energy: 2.0888912686434145
Energy: 2.1120417939497385
Energy: 2.0948403545802328
Energy: 2.1117364312383256
Energy: 2.7241212164551882
Energy: 2.093803132147801
Energy: 1.8083167490988292
Energy: 1.8008729026016332
Energy: 1.881956899857171
Energy: 2.101933599166063
Energy: 2.767842093287502
Energy: 2.024367704680948
Energy: 1.8066786785915925
Energy: 1.8009645508985688
Energy: 1.8359622542273593
Energy: 2.1502986826444803
Energy: 2.808783448719388
Energy: 1.8782012961682135
Energy: 1.5974353686193223
Energy: 1.8354743702051768
Energy: 1.8652680363268128
Energy: 2.005386510663232
Energy: 3.2960670825857443
Energy: 1.807793515965324
Energy: 1.8067121218389186
Energy: 1.5757043959274069
Energy: 1.806588616122239
Energy: 2.101504114848444

minimum gb energy = 1.571172692632848 eV
minimum distance =  2.43933750745907 Angstroms
sigma value = 43


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

Energy: 3.0428873007225166
Energy: 1.9643645354675767
Energy: 1.7066265095197726
Energy: 1.6869558888398775
Energy: 1.9654851460440363
Energy: 2.3366301111797907
Energy: 2.6210286110277505
Energy: 1.6699430902671968
Energy: 1.689889589795367
Energy: 1.6874774523475902
Energy: 1.6702146495473005
Energy: 2.2850099574492666
Energy: 3.0103150132332073
Energy: 1.9908890785241897
Energy: 1.690298911531897
Energy: 1.6906740480046833
Energy: 1.6907704000025394
Energy: 2.2779061580710964
Energy: 2.989521315409522
Energy: 1.9876085637132705
Energy: 1.6712353674755542
Energy: 1.6710633761308364
Energy: 1.6709792729198476
Energy: 2.267423320354871
Energy: 2.9902643561763194
Energy: 1.9862502349559004
Energy: 1.9617809322384299
Energy: 1.9865900057978507
Energy: 1.9902015671983144
Energy: 2.2674282325184656
Energy: 3.017092513180054
Energy: 1.9906101204586326
Energy: 1.9911656839413372
Energy: 1.986246824786579
Energy: 1.991265019105927
Energy: 2.3539222820440098
Energy: 2.6205246671219737
Energy: 2.286956632412593
Energy: 1.9861652891687127
Energy: 1.9858755243130117
Energy: 1.9860057269375038
Energy: 2.287929985358816
Energy: 2.608316061099829
Energy: 2.283049912445688
Energy: 2.3140135256937615
Energy: 2.0212030019151626
Energy: 2.2829061795812393
Energy: 2.3303442405934502
Energy: 2.621347993175485
Energy: 2.3688473658707343
Energy: 2.2872154452041835
Energy: 2.29174238208245
Energy: 2.2878444261869535
Energy: 2.287419741425959
Energy: 2.622418414398833
Energy: 2.304679775665422
Energy: 2.283026682069808
Energy: 2.3380596413529675
Energy: 2.341896745156396
Energy: 2.2829453492138034
Energy: 2.620638108107773
Energy: 2.2869492900460706
Energy: 2.315307111143998
Energy: 2.3423633096821472
Energy: 2.2874435996821516
Energy: 2.2878398044001824
Energy: 2.6202247100350755
Energy: 2.290963023988315
Energy: 2.286676474684757
Energy: 2.2867200726738983
Energy: 2.28650640237321
Energy: 2.271440120108072
Energy: 1.9548777382500653
Energy: 2.0390322756350234
Energy: 2.2867981651186726
Energy: 2.287055108310561
Energy: 2.287159529644371
Energy: 1.9555308189078946
Energy: 1.9536474869892695
Energy: 1.9564601124236911
Energy: 2.3497033094403053
Energy: 2.3306175131673914
Energy: 1.9862720876572608
Energy: 1.9548320345418275
Energy: 1.9633280393412569
Energy: 1.990674499645126
Energy: 2.277728984286458
Energy: 2.3311592672112655
Energy: 1.9914884613166397
Energy: 1.9566099414803766
Energy: 1.6581665416474187
Energy: 1.9554239958594832
Energy: 2.220955374660725
Energy: 2.282617001784524
Energy: 1.95595960805122
Energy: 1.6856640330965356
Energy: 1.6894914765030355
Energy: 1.669950280211826
Energy: 1.9906333616903302
Energy: 2.419604557780558
Energy: 1.6727780152845022
Energy: 1.669985891091108
Energy: 1.690395239364603
Energy: 1.691437986030037
Energy: 1.9905556202005492
Energy: 2.418010436339049
Energy: 1.69171305672661
Energy: 1.6907633178420667
Energy: 1.6724263304932094
Energy: 1.6707561961166502
Energy: 1.9863789732564459
Energy: 2.284371300002263
Energy: 1.990181383113067
Energy: 1.669994644803563
Energy: 1.963841110930391
Energy: 1.9617176482907266
Energy: 1.9863476543724823
Energy: 2.2842714112946916
Energy: 1.9897826782392576
Energy: 1.9618407862384455
Energy: 1.964034107054003
Energy: 1.991822118982405
Energy: 1.990974269044186
Energy: 2.330827646022609
Energy: 1.9908321876910138
Energy: 1.9911187557637453
Energy: 1.9661776456000108
Energy: 1.9866650242248995
Energy: 2.287615808649548
Energy: 2.324416066968223
Energy: 2.031634307404951
Energy: 1.9558492653927038
Energy: 2.0223865245204506
Energy: 2.039187263552464
Energy: 2.3139641187840376
Energy: 2.3173563534518604
Energy: 2.3125266899640478
Energy: 2.0382026820176726
Energy: 2.25160943187715
Energy: 2.287134686650156
Energy: 2.2872330324737056
Energy: 2.37793574937381
Energy: 2.3361594078151655
Energy: 2.2719970188573444
Energy: 2.2999633112199986
Energy: 2.285829234638894
Energy: 2.289870683676448
Energy: 2.3293960278093975
Energy: 2.31591027878585
Energy: 2.2715431390760883
Energy: 2.3012647551906293
Energy: 2.315253010877429
Energy: 2.2867541294533194
Energy: 2.3203019181464843
Energy: 2.2864942948158804
Energy: 2.281301402429593
Energy: 2.9769502519421045
Energy: 2.2867093240106104
Energy: 2.2721810642566287
Energy: 2.321456053241786
Energy: 2.287761038928632
Energy: 2.287736952378407
Energy: 2.978836678523299
Energy: 2.287010396147981
Energy: 1.9863260881457856
Energy: 1.955593253024033
Energy: 2.0391838340364847
Energy: 2.299569642016078
Energy: 2.6193403413490635
Energy: 2.2977358141274387
Energy: 1.9545463307562085
Energy: 1.9542826240839144
Energy: 1.985788208985716
Energy: 2.349714074880969
Energy: 2.6204051152010193
Energy: 1.987003461056178
Energy: 1.9857755078599333
Energy: 1.985765064234763
Energy: 1.9561369843179823
Energy: 2.2773732719021655
Energy: 2.9630382338373824
Energy: 1.9558055411377837
Energy: 1.9551265353248517
Energy: 1.6862868145916745
Energy: 1.9545879985447163
Energy: 2.221212453806231

minimum gb energy = 1.6581665416474187 eV
minimum distance =  2.42639682346334 Angstroms
sigma value = 57


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

Energy: 2.727543425140173
Energy: 2.2094013137654884
Energy: 1.853870191704953
Energy: 1.8189408731375698
Energy: 2.2068531151144875
Energy: 2.5292528985840965
Energy: 2.674691646446361
Energy: 1.8043584427718322
Energy: 1.8200011849900712
Energy: 1.8219293615451475
Energy: 1.8043061564377794
Energy: 2.549547514662217
Energy: 2.673999651050015
Energy: 2.23628157417736
Energy: 1.8280720242573543
Energy: 1.8286799297134124
Energy: 1.8281358487856503
Energy: 2.2020902970389735
Energy: 3.098103729977754
Energy: 2.2131948030497353
Energy: 1.8047237845653008
Energy: 1.803808326289486
Energy: 1.8052865107290725
Energy: 2.5255765533836123
Energy: 3.097848656553905
Energy: 2.201122927814618
Energy: 2.2095210534217973
Energy: 2.2102634604303355
Energy: 2.178642385176244
Energy: 2.524701401692707
Energy: 2.6780838190770457
Energy: 2.2018190822443056
Energy: 2.2012539443488706
Energy: 2.2202478949004325
Energy: 2.2015119859633927
Energy: 2.5628895054542546
Energy: 2.6747281946212214
Energy: 2.5502901792856307
Energy: 2.217674286172306
Energy: 2.2209253393297157
Energy: 2.2027177888110465
Energy: 2.5423562538477937
Energy: 2.2097723001382823
Energy: 2.5374549714124455
Energy: 2.5700479660877598
Energy: 1.8058807903301881
Energy: 2.5463356464884175
Energy: 2.5496849170573603
Energy: 2.2197913017473274
Energy: 2.542862106901627
Energy: 2.538417163857827
Energy: 2.6318464826631196
Energy: 2.5421383712567085
Energy: 2.570107352699749
Energy: 2.2210916413840867
Energy: 2.213044460619125
Energy: 2.5420376556991062
Energy: 2.63115317993399
Energy: 2.5513432820402597
Energy: 2.1846887567608944
Energy: 2.2155537011961957
Energy: 2.2011138845876657
Energy: 2.5445570688784227
Energy: 2.7036468404111957
Energy: 2.2126425788457103
Energy: 2.2028046993070802
Energy: 2.2198547152067984
Energy: 2.1845285024325674
Energy: 2.2124311717349663
Energy: 2.599016079272454
Energy: 2.211705038824492
Energy: 2.1892822674806656
Energy: 1.8173754207491335
Energy: 1.8180841992823689
Energy: 2.5150671267401408
Energy: 2.540334473108907
Energy: 2.184665781997801
Energy: 1.8174623889943802
Energy: 1.8146507171052868
Energy: 1.803888082504801
Energy: 2.5511572133394296
Energy: 2.704955965332066
Energy: 1.8390683544705815
Energy: 1.8048275721574434
Energy: 1.8038824167713077
Energy: 1.8040074392053187
Energy: 2.202616439512941
Energy: 2.7039407005879945
Energy: 1.8043387534852633
Energy: 1.8035454170346505
Energy: 1.8041584353189035
Energy: 1.8071058689432555
Energy: 2.53118435259022
Energy: 2.529202668564396
Energy: 2.17852610641828
Energy: 1.804435466815384
Energy: 2.215286955747519
Energy: 2.200748848931529
Energy: 2.2020082717370544
Energy: 2.703012031569118
Energy: 2.201876316202109
Energy: 2.2021614517760253
Energy: 2.215628715240414
Energy: 2.20071320679754
Energy: 2.245694780717998
Energy: 2.2206168462023004
Energy: 2.201292309556078
Energy: 2.200942652344926
Energy: 2.2164918856335207
Energy: 2.248873106688888
Energy: 2.549940189510909
Energy: 2.5463935578015815
Energy: 2.534908216232146
Energy: 2.184261252613736
Energy: 2.6749147906322674
Energy: 2.5420634289745694
Energy: 2.549783426038305
Energy: 2.546218721394633
Energy: 2.5348909570603264
Energy: 2.5422916301856158
Energy: 2.630875722499199
Energy: 2.5418303090456758
Energy: 2.2473250790418544
Energy: 2.220482718780364
Energy: 2.54367350954154
Energy: 2.538576904229
Energy: 2.6748456526357196
Energy: 2.5424453374692715
Energy: 2.1847717471392967
Energy: 2.2200932557106414
Energy: 2.2122462252953294
Energy: 2.541905558193509
Energy: 2.6743142374214397
Energy: 2.201547031445987
Energy: 2.2334254478194264
Energy: 2.220196088318493
Energy: 2.234132253980886
Energy: 2.5449339491344447
Energy: 2.629600816981007
Energy: 2.184524587543557
Energy: 2.1859467072876666
Energy: 1.8466097441033045
Energy: 2.184809176367886
Energy: 2.5390640385441703

minimum gb energy = 1.8035454170346505 eV
minimum distance =  2.41141342122184 Angstroms
sigma value = 17


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

Energy: 3.6463631293633068
Energy: 2.475795019680363
Energy: 2.0047727027340008
Energy: 2.379011317289034
Energy: 2.0745067932097445
Energy: 2.8676100075992514
Energy: 2.0296932555933687
Energy: 1.9717229814205075
Energy: 1.9513766078238
Energy: 1.9503911899466566
Energy: 1.9604959607226626
Energy: 2.4781958318461204
Energy: 2.021586990918408
Energy: 1.9524647674231324
Energy: 1.9507752355463268
Energy: 1.9492779095297683
Energy: 1.9483368936418757
Energy: 2.1862938266254948
Energy: 2.6258930393345254
Energy: 2.4778322257795926
Energy: 1.9533874078714941
Energy: 1.9819872599889499
Energy: 1.982672455072449
Energy: 2.4788549029106437
Energy: 2.689941608190688
Energy: 2.4786975626204004
Energy: 2.451169119410942
Energy: 2.0044783681325544
Energy: 2.4681721513245067
Energy: 2.474564952785158
Energy: 2.0287998891518053
Energy: 2.1816115952543367
Energy: 2.500390300058312
Energy: 1.9347772723718104
Energy: 2.475178618538572
Energy: 2.4898594229489794
Energy: 2.0285912554565013
Energy: 2.5132946739238102
Energy: 2.446015811232857
Energy: 2.0059601311892603
Energy: 2.17988225810255
Energy: 2.478605407401038
Energy: 2.004460133725941
Energy: 2.4737517760049497
Energy: 2.500158061637902
Energy: 2.0310421174561024
Energy: 2.474076404624756
Energy: 2.4746521594874302
Energy: 2.0293801559288056
Energy: 2.47714032922227
Energy: 2.8569590134311587
Energy: 2.854499520804001
Energy: 2.4772067465435588
Energy: 2.478056531194313
Energy: 2.0022891875758897
Energy: 1.9486970081020145
Energy: 2.4736411287517774
Energy: 3.120395569616107
Energy: 1.9842549072142486
Energy: 1.984542067989418
Energy: 1.9561043899415613
Energy: 1.957057496626321
Energy: 2.498039673602118
Energy: 2.0226916781105557
Energy: 1.9526203882593822
Energy: 1.9525374285660757
Energy: 1.9831100453077037
Energy: 1.982599178716646
Energy: 2.4462555204297187
Energy: 2.661175056791481
Energy: 2.4773940871195634
Energy: 1.9824195500635773
Energy: 2.0063752262611154
Energy: 2.446400703326088
Energy: 2.4783065308299004
Energy: 2.6616902760028385
Energy: 2.4766995221806662
Energy: 2.00511993355867
Energy: 1.9346512368287005
Energy: 2.5035553896168636
Energy: 2.1745948535367567
Energy: 2.0567153240249985
Energy: 2.498540785343797
Energy: 1.9360113187596462
Energy: 2.0049454582808464
Energy: 2.4740250947833373
Energy: 2.4798999507512622
Energy: 2.0299127474017893
Energy: 2.203336387603169
Energy: 2.4480091191448343
Energy: 2.0287615509024013
Energy: 2.182499128234428
Energy: 2.501707691741171
Energy: 2.4456308125952173
Energy: 2.4755939569457173
Energy: 2.030844903107802
Energy: 2.0178086632519125
Energy: 2.4794782742887262
Energy: 2.4795418334609427
Energy: 2.0288053116743816
Energy: 2.4769450951948024
Energy: 2.853300970889205

minimum gb energy = 1.9346512368287005 eV
minimum distance =  2.44018385056389 Angstroms
sigma value = 17


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

Energy: 2.6813425433305484
Energy: 2.443668409692483
Energy: 2.150033512621826
Energy: 2.1500809290261302
Energy: 2.15073458638053
Energy: 3.020885292739743
Energy: 2.065793853920317
Energy: 2.0779482185949902
Energy: 2.069574517839758
Energy: 2.0699360751431737
Energy: 2.069086319097721
Energy: 2.3879432908866502
Energy: 2.423628862090937
Energy: 2.4146900227058796
Energy: 2.064676562868894
Energy: 2.064239974274673
Energy: 2.0654640580506487
Energy: 2.4466228876257206
Energy: 2.9256317835639716
Energy: 2.7758320164067913
Energy: 2.0581189324056726
Energy: 2.0678258941938856
Energy: 2.049004975365643
Energy: 2.911132434595143
Energy: 2.9333729105184183
Energy: 2.9113723222694525
Energy: 2.789116707225672
Energy: 2.0771832971110364
Energy: 2.7867712169841528
Energy: 2.77582045342975
Energy: 2.0835333207433258
Energy: 2.083867293024267
Energy: 2.9208171614453344
Energy: 2.5633644061273437
Energy: 2.7777021689587316
Energy: 2.0827827704109625
Energy: 2.0681181417048276
Energy: 2.0664877596867317
Energy: 2.9307886610811296
Energy: 3.004352625515453
Energy: 2.065554370893151
Energy: 2.066258501430157
Energy: 2.0702898958147835
Energy: 2.0695631626093265
Energy: 2.0675707014996707
Energy: 2.0670849402517053
Energy: 2.06690345957096
Energy: 2.0701999450344113
Energy: 2.0951554979971396
Energy: 2.0955462234806115
Energy: 2.5999310533115962
Energy: 2.413457362645564
Energy: 2.378578493581027
Energy: 2.095448280521448
Energy: 2.387696007969002
Energy: 2.0669184788436628
Energy: 2.3881940550731433
Energy: 2.459648223706913
Energy: 2.388997246032272
Energy: 2.3662486500028352
Energy: 2.390935613805589
Energy: 2.3789815999547086
Energy: 2.750459382793509
Energy: 2.05292393943089
Energy: 2.3753695218993593
Energy: 2.381275022829227
Energy: 2.3818767755195265
Energy: 2.376215357191729
Energy: 2.7767122383800373
Energy: 2.766361600820639
Energy: 2.7141534187629577
Energy: 2.3697967420948505
Energy: 2.2382891882106675
Energy: 2.7833047058208487
Energy: 2.769360601429716
Energy: 2.594953855326011
Energy: 2.777596850570212
Energy: 2.8160336745609675
Energy: 3.1937244072197255
Energy: 2.6044486346989197
Energy: 2.052998118795229
Energy: 2.0618567577843563
Energy: 2.603775702985141
Energy: 2.5756752198374944
Energy: 2.667051109356509
Energy: 2.0482260117717948
Energy: 2.025500090695645
Energy: 2.035700026986
Energy: 2.034947411443287
Energy: 2.790903331699137
Energy: 2.2128893131655327
Energy: 2.015221010556954
Energy: 2.0150074621856056
Energy: 2.013343761030503
Energy: 2.0145068493778595
Energy: 2.856709987487603
Energy: 2.925159243899508
Energy: 2.604115307779799
Energy: 2.080361609082859
Energy: 2.06370242553463
Energy: 2.058468665886891
Energy: 2.9256648207528055
Energy: 2.92393390773075
Energy: 2.605022165611892
Energy: 2.323689144420432
Energy: 2.106436898789167
Energy: 2.603021723661843
Energy: 2.9087628321417207
Energy: 2.404307942471814
Energy: 2.466703277317819
Energy: 2.780545854212376
Energy: 2.6097295897343966
Energy: 2.779864966761361
Energy: 2.366441896067391
Energy: 2.38842065107592
Energy: 2.3661035198000935
Energy: 2.7680130590017717
Energy: 2.3951555087489043
Energy: 2.7709727502697232
Energy: 2.3654280081481898
Energy: 2.3875006830919863
Energy: 2.3762121050767044
Energy: 2.3777965392920515
Energy: 2.395077603279585
Energy: 2.373144885696811
Energy: 2.3807116189160324
Energy: 2.429839455852685
Energy: 2.079480006001604
Energy: 2.623139537671807
Energy: 2.899881015859537
Energy: 2.3787072380610472
Energy: 2.0790730162070488
Energy: 2.0962349615143276
Energy: 2.0780322049442024
Energy: 2.3878961486628087
Energy: 2.3219082848388406
Energy: 2.0714117091478097
Energy: 2.087358361214217
Energy: 2.0600124462597877
Energy: 2.0651808233875104
Energy: 2.313062810941653
Energy: 2.0854269342297442
Energy: 2.0639478796047146
Energy: 2.065532572812723
Energy: 2.0673333949434562
Energy: 2.068549416995744
Energy: 2.9303311969786034
Energy: 2.3498271426000676
Energy: 2.4713246031784233
Energy: 2.0575187964429937
Energy: 2.0816134938013504
Energy: 2.7875682209455053
Energy: 2.776210207761321
Energy: 2.5936608088325634
Energy: 2.776430605083516
Energy: 2.0866757733331385
Energy: 3.198533059235062
Energy: 2.7765600484976516
Energy: 2.7321688924678837
Energy: 2.087970952867382
Energy: 2.792729578070708
Energy: 2.901601084940116
Energy: 3.1997920765313332
Energy: 2.7682569579060163
Energy: 2.08914850379374
Energy: 2.0664506811350427
Energy: 2.0952746754831395
Energy: 2.786370677922233
Energy: 2.0543242186573
Energy: 2.0622436714656835
Energy: 2.061074619775626
Energy: 2.0628195590316887
Energy: 2.0615516551125395
Energy: 2.8875139804110743
Energy: 2.9209018344093627
Energy: 2.3892462213391985
Energy: 2.0883818679637423
Energy: 2.0952293821903205
Energy: 2.066962907012169
Energy: 2.784293456806676
Energy: 2.9232155364769374
Energy: 2.3795206619149902
Energy: 2.0779331085841273
Energy: 2.468843252111068
Energy: 2.3766583927590386
Energy: 2.7685571944314646
Energy: 2.3938571901367807
Energy: 2.375041305823968
Energy: 2.3738674967950866
Energy: 2.3696374139007426
Energy: 2.376567336526728
Energy: 2.7525296930245107
Energy: 2.9374373997641876
Energy: 2.712100583644644
Energy: 2.3754152592684616
Energy: 2.3834650390104137
Energy: 2.3755334744234267
Energy: 2.6116029685523046
Energy: 2.9306199608993686
Energy: 2.778806830100307
Energy: 2.4988989720228396
Energy: 2.212569708944394
Energy: 2.7782066925808184
Energy: 2.781652427096694
Energy: 2.4341845314617028
Energy: 2.6036727668900146
Energy: 2.901998805687147
Energy: 2.5916531527168236
Energy: 2.6025290521654267
Energy: 2.3238678290018338
Energy: 2.055970524927065
Energy: 2.0102096677360772
Energy: 2.774317068490963
Energy: 2.5927470635336993
Energy: 2.3029837277610556
Energy: 2.0495876389956895
Energy: 2.0095929947900846
Energy: 2.0121606165929378
Energy: 2.0112282149111196
Energy: 2.209789711217356
Energy: 2.0112486044195177
Energy: 2.0126076019010974
Energy: 2.023173766101993
Energy: 2.04692362264927
Energy: 2.783647368473174
Energy: 2.382161372582898
Energy: 2.0611112487545227
Energy: 2.0457610125229277
Energy: 2.07925842102091
Energy: 2.3258167929195532
Energy: 2.767627127406334
Energy: 2.9257325118464714
Energy: 2.604278188076634
Energy: 2.082850172355464
Energy: 2.6579686680618995
Energy: 2.778593638373206
Energy: 2.7839576946456703
Energy: 2.3953905125830834
Energy: 2.7816539253558172
Energy: 2.7718090019875192
Energy: 2.9561738981453547
Energy: 2.7681965884128688
Energy: 2.3611019980227357
Energy: 2.3906874082121017
Energy: 2.4725196165365495
Energy: 2.7679124659917997
Energy: 2.426331261964955
Energy: 2.3795395768104872
Energy: 2.376580928451696
Energy: 2.3876260110722107
Energy: 2.3755044442879303
Energy: 2.6010692398209203
Energy: 2.6470494293989355
Energy: 2.3883202296238495
Energy: 2.3655369508441386
Energy: 2.3890691772931216
Energy: 2.3757697948826233
Energy: 2.630533335980876

minimum gb energy = 2.0095929947900846 eV
minimum distance =  2.33021046083785 Angstroms
sigma value = 57


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

Energy: 2.8919160727675752
Energy: 2.6789510894523323
Energy: 2.1100814372635743
Energy: 2.115334769163473
Energy: 2.1084045078265308
Energy: 2.845470747987285
Energy: 2.143824140413464
Energy: 2.1195602235100375
Energy: 2.1212643570930694
Energy: 2.1085666469561564
Energy: 2.122539981646321
Energy: 2.568201501997334
Energy: 2.6493692452308832
Energy: 2.4914867953998563
Energy: 2.116474464538016
Energy: 2.114054884254544
Energy: 2.1170536464953447
Energy: 2.59478750618161
Energy: 2.8442189265144857
Energy: 2.9017034282850456
Energy: 2.110451941743215
Energy: 2.1088555034844823
Energy: 2.1130660317603773
Energy: 2.8986439118852836
Energy: 2.650519419067897
Energy: 2.900563124021464
Energy: 2.901717046889879
Energy: 2.836670431634699
Energy: 2.9005721112800384
Energy: 2.91011966389828
Energy: 2.1536318496729416
Energy: 2.1399435911935965
Energy: 2.9324824644257217
Energy: 2.84626747783957
Energy: 2.754305580163909
Energy: 2.15359315051718
Energy: 2.1506354514598054
Energy: 2.139931123297885
Energy: 2.7531063388478785
Energy: 2.81105533156133
Energy: 2.139947279909278
Energy: 2.1394144937342934
Energy: 2.1375840863277915
Energy: 2.136913718552924
Energy: 2.4498846610667635
Energy: 2.1001400804768524
Energy: 2.1369461127347256
Energy: 2.135526311684847
Energy: 2.1504994634634733
Energy: 2.154220637746146
Energy: 2.9539429142756592
Energy: 2.9810543290455795
Energy: 2.45272043422949
Energy: 2.153267328405671
Energy: 2.1636320177097725
Energy: 2.349716394708017
Energy: 2.144759023122752
Energy: 2.4314869376137396
Energy: 2.479764373807101
Energy: 2.1487437350010987
Energy: 2.3888421391684496
Energy: 2.4552907023279817
Energy: 2.4576628455202103
Energy: 2.7984750990728973
Energy: 2.516487731724534
Energy: 2.518009750497548
Energy: 2.1598532488331177
Energy: 2.5150821097735374
Energy: 2.7209820039088486
Energy: 2.8010032566011693
Energy: 2.707712912878658
Energy: 2.1474596722414248
Energy: 2.1609379677166705
Energy: 2.707733727440801
Energy: 2.7061436485993844
Energy: 2.7184948205283876
Energy: 2.706518830645731
Energy: 2.8271056856971817
Energy: 3.05820104545583
Energy: 2.8588231754633773
Energy: 2.1107772880358007
Energy: 2.3410612914139457
Energy: 2.721556698778735
Energy: 2.858128950541008
Energy: 2.1713285973368746
Energy: 2.2688676501434744
Energy: 2.271986706694144
Energy: 2.276180277426771
Energy: 2.272273521660633
Energy: 2.856917032550839
Energy: 2.1605992891345513
Energy: 2.3592060034200872
Energy: 2.266142748609099
Energy: 2.2678262352298155
Energy: 2.273508153582519
Energy: 2.5799588204863877
Energy: 2.8414143876493236
Energy: 2.8710616554601454
Energy: 1.9975315562843554
Energy: 2.2578684664079898
Energy: 2.3797283812588956
Energy: 2.82396019269549
Energy: 2.161077398247226
Energy: 2.8318383213380587
Energy: 2.8477817659329046
Energy: 2.2293335919529795
Energy: 2.8465910339081866
Energy: 2.7291389814410594
Energy: 2.148314075506918
Energy: 2.1557319913369977
Energy: 2.9403746928656282
Energy: 2.933792357224758
Energy: 2.828849146842796
Energy: 2.153193108042609
Energy: 2.1488067182921347
Energy: 2.146703820566163
Energy: 2.8460042279228586
Energy: 2.6568654185309635
Energy: 2.137481200150212
Energy: 2.1461788246783824
Energy: 2.1355325456009155
Energy: 2.130484827432185
Energy: 2.3496269324086545
Energy: 2.2435129951756947
Energy: 2.1346854337309273
Energy: 2.1299533745823562
Energy: 2.181770702413148
Energy: 2.1511603568217126
Energy: 2.954291799255086
Energy: 2.9623161022706097
Energy: 2.3664857857680404
Energy: 2.178856622091755
Energy: 2.65312259709202
Energy: 2.3691926749764756
Energy: 2.551298759149557
Energy: 2.143581198100494
Energy: 2.5499090219937854
Energy: 2.3691499645156187
Energy: 2.3867741480745095
Energy: 2.5579495847149345
Energy: 2.331514391048338
Energy: 2.652811824756483
Energy: 2.5799956773151567
Energy: 2.553517790842331
Energy: 2.6504154909067923
Energy: 2.5684774437380327
Energy: 2.582472092300782
Energy: 2.6492706266385166
Energy: 2.571610750882427
Energy: 2.5482010475067582
Energy: 2.3915691225147286
Energy: 2.5663263522969038
Energy: 2.5666126214460605
Energy: 2.5682736499590653
Energy: 2.5619003883741462
Energy: 2.5789751197195883
Energy: 2.8681497948195593
Energy: 2.5781473210707095
Energy: 2.579601234959785
Energy: 2.2231583299750453
Energy: 2.579983384422907
Energy: 2.7315294483918455

minimum gb energy = 1.9975315562843554 eV
minimum distance =  2.3264652786492 Angstroms
sigma value = 43


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

Energy: 2.181904055366418
Energy: 2.521785034839174
Energy: 2.1329170291905246
Energy: 2.1360600430604464
Energy: 2.131495629801885
Energy: 3.0009955656152187
Energy: 2.2885234021321366
Energy: 2.1338699410098885
Energy: 2.12125101003384
Energy: 2.1319640711630305
Energy: 2.1428543937704614
Energy: 2.500008378729662
Energy: 2.566169362810613
Energy: 2.5393939171950937
Energy: 2.135028264122346
Energy: 2.1336916572670876
Energy: 2.1336467914362696
Energy: 2.8217770048846913
Energy: 2.2104893904936342
Energy: 2.9000188199127948
Energy: 2.1568626882383706
Energy: 2.1569001209938587
Energy: 2.1561294558132387
Energy: 2.898787125755643
Energy: 2.5740891183041823
Energy: 2.8724513859675733
Energy: 2.753914664103006
Energy: 2.3037322228156825
Energy: 2.8496692867462725
Energy: 2.716519751437696
Energy: 2.05384500526154
Energy: 2.058215996030461
Energy: 3.0094070430819504
Energy: 2.86004453145507
Energy: 2.90611362064702
Energy: 2.0561179644311696
Energy: 2.0521053279071704
Energy: 2.053975851387364
Energy: 2.536151691100869
Energy: 2.3719559246334536
Energy: 2.0575315141930415
Energy: 2.057104847712642
Energy: 2.0516358963563635
Energy: 2.055506753696221
Energy: 2.5368033682928104
Energy: 2.3745485322355275
Energy: 2.0546627388631324
Energy: 2.056335540670707
Energy: 2.053832299714655
Energy: 2.05829445667041
Energy: 2.9108554152575663
Energy: 2.8696411673924644
Energy: 2.8461460665977802
Energy: 2.056953784503961
Energy: 2.74277097316518
Energy: 2.8707611969623703
Energy: 2.7541387809347286
Energy: 2.323708952640778
Energy: 2.8660054121689655
Energy: 2.7119442269011578
Energy: 2.9086309941727846
Energy: 2.8448292858864783
Energy: 2.121035141707353
Energy: 2.135878555944455
Energy: 2.1581067884657696
Energy: 2.7603273892701146
Energy: 2.5656490907554708
Energy: 2.847045314747564
Energy: 2.143296454746905
Energy: 2.139435470010346
Energy: 2.141953461834077
Energy: 2.712810028553688
Energy: 2.6216657845072695
Energy: 2.1347460904533997
Energy: 2.136715537906922
Energy: 2.13669343509544
Energy: 2.1367207189803024
Energy: 2.4947188682908417
Energy: 2.5459597867622668
Energy: 2.5130425022350007
Energy: 2.1329737477152504
Energy: 2.1359305815845815
Energy: 2.1561309191451783
Energy: 2.906937759646197
Energy: 2.1162918056533346
Energy: 2.5143575406387715
Energy: 2.521997984195955
Energy: 2.5034321072680017
Energy: 2.5129467050725838
Energy: 2.500798258198272
Energy: 2.5755667862973293
Energy: 2.4208851429478115
Energy: 2.5116783060771217
Energy: 2.500723632843313
Energy: 2.513229173079394
Energy: 2.4911226032092437
Energy: 2.5657910536176223
Energy: 2.500652568222904
Energy: 2.52741593377501
Energy: 2.5231741385334225
Energy: 2.4225385633688177
Energy: 2.496286546501268
Energy: 2.567076937099819
Energy: 2.510878814040085
Energy: 2.4984624112742795
Energy: 2.251493387957197
Energy: 2.5038957433498683
Energy: 2.4912033666468076
Energy: 2.132032131971891
Energy: 2.1328417955237806
Energy: 3.079609638448689
Energy: 3.0027760734513937
Energy: 2.5109140023146255
Energy: 2.1323698939544307
Energy: 2.130377973887091
Energy: 2.144132603895787
Energy: 2.132715596204563
Energy: 2.2541349342647963
Energy: 2.133900201538569
Energy: 2.1444843323406673
Energy: 2.1396740693446086
Energy: 2.1352020186597187
Energy: 2.850189140001521
Energy: 2.4609224905278775
Energy: 2.138925338760682
Energy: 2.134473994352021
Energy: 2.1559301550703323
Energy: 2.158234467026575
Energy: 2.8986698970103633
Energy: 2.7137229843976503
Energy: 2.89778026387665
Energy: 2.1486728837584597
Energy: 2.2161499992052214
Energy: 2.846485109396781
Energy: 2.7167688817678144
Energy: 2.502223155079859
Energy: 2.908285067602676
Energy: 2.75328186473579
Energy: 2.895200368757361
Energy: 2.908866962047348
Energy: 2.055661449900258
Energy: 2.054045286235674
Energy: 2.059669043573606
Energy: 3.0094748013716215
Energy: 2.1353368116944806
Energy: 2.056106388108538
Energy: 2.0545653487883917
Energy: 2.053551201347411
Energy: 2.055361878470823
Energy: 2.7552148498417153
Energy: 2.3733190431796247
Energy: 2.536880224813808
Energy: 2.054924638598278
Energy: 2.0529418166658737
Energy: 2.056141195701999
Energy: 2.5825835342569268
Energy: 2.558944385170688
Energy: 2.8471175912693716
Energy: 2.057631556404699
Energy: 2.054337439962262
Energy: 2.0575038771202316
Energy: 2.8418543185808143
Energy: 2.5111272921816363
Energy: 2.8673964276730675
Energy: 2.717337388660281
Energy: 2.5048033424417104
Energy: 2.8696161900578723
Energy: 2.7548775307620414
Energy: 2.136461142042765
Energy: 2.1541397622964262
Energy: 2.8970151013340746
Energy: 2.761204818955542
Energy: 2.845110732078384
Energy: 2.142658461661184
Energy: 2.1393285997687173
Energy: 2.1423281078715015
Energy: 2.848696295834712
Energy: 2.5656254585822302
Energy: 2.142316965990694
Energy: 2.1431096674214083
Energy: 2.136438088640753
Energy: 2.1394725595496475
Energy: 2.1325385099788843
Energy: 2.5757237889744538
Energy: 2.125889248671792
Energy: 2.136282558333058
Energy: 2.1357543512670634
Energy: 2.159519081241416
Energy: 2.906915963979512
Energy: 2.8778803051024013
Energy: 2.5110116199102968
Energy: 2.132034235990479
Energy: 2.5709233769065785
Energy: 2.512805176708096
Energy: 2.497192877928539
Energy: 2.3633730451101687
Energy: 2.5138775530586734
Energy: 2.5118905846537274
Energy: 2.1996149565735834
Energy: 2.5124151692923027
Energy: 2.4908030412912248
Energy: 2.5752565653511272
Energy: 2.4200542214064193
Energy: 2.515112877027187
Energy: 2.5648514565144205
Energy: 2.4907121161584524
Energy: 2.500608438991587
Energy: 2.501980814281676
Energy: 2.4995766626659934
Energy: 2.528297092410525
Energy: 2.2513234931084427
Energy: 2.5153066786129483
Energy: 2.5108330489839865
Energy: 2.503302820277772
Energy: 2.5115984612109696
Energy: 2.501060201501756

minimum gb energy = 2.0516358963563635 eV
minimum distance =  2.31792707705004 Angstroms
sigma value = 81


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

Energy: 2.071099091473068
Energy: 2.746988570417412
Energy: 2.082727006927644
Energy: 2.0820954543267542
Energy: 2.7573272601395105
Energy: 2.070857045584574
Energy: 2.082674587447661
Energy: 2.368196974794277
Energy: 2.082338686626185
Energy: 2.0819468694521435
Energy: 2.0815521931351273
Energy: 2.367264062452173
Energy: 2.3686347780013186
Energy: 2.3674371419660147
Energy: 2.082121825123029
Energy: 2.0827501671758957
Energy: 2.081970997249913
Energy: 2.368253564564257
Energy: 2.367449687787236
Energy: 2.3676231235729546
Energy: 2.0826878219607288
Energy: 2.0823602668279877
Energy: 2.3683424537252815
Energy: 2.3678132981834183
Energy: 2.3672311365897274
Energy: 2.367472178288423
Energy: 2.3697787392834067
Energy: 2.071383240800303
Energy: 2.367065243734093
Energy: 2.368050113309796
Energy: 2.0834098062894397
Energy: 2.0819900003940526
Energy: 2.0711797224828357
Energy: 2.071140206267234
Energy: 2.368175227639223
Energy: 2.081886669915412
Energy: 2.081698149694803
Energy: 2.0829796755899896
Energy: 2.3672316305207564
Energy: 2.0824990113576622
Energy: 2.082071270208195
Energy: 2.0822428474195327
Energy: 2.0826232805984626
Energy: 2.0826813244711726
Energy: 2.3689941664825005
Energy: 2.3667039881762717
Energy: 2.3676372289619416
Energy: 2.0822002729336435
Energy: 2.0823160027861745
Energy: 2.0824250096379324
Energy: 2.367550678987603
Energy: 2.367220274686954
Energy: 2.366475844991171
Energy: 2.082721069839965
Energy: 2.0707677513005525
Energy: 2.367684749821754
Energy: 2.366732291816469
Energy: 2.3678595490122194
Energy: 2.369174078342276
Energy: 2.3689537029538856

minimum gb energy = 2.0707677513005525 eV
minimum distance =  2.47776677310855 Angstroms
sigma value = 3


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

Energy: 3.4362859717113072
Energy: 2.524115944156726
Energy: 2.408101568565403
Energy: 2.4096498891825053
Energy: 2.4081842738439336
Energy: 2.9880842698007237
Energy: 2.4093041763435004
Energy: 2.07619191322873
Energy: 2.41767272331561
Energy: 2.409850210559481
Energy: 2.4184060350405567
Energy: 2.4009501062338794
Energy: 2.4092215731809787
Energy: 2.308349313110722
Energy: 2.3986479860554493
Energy: 2.410416982435084
Energy: 2.41895273160602
Energy: 2.4113855736010033
Energy: 2.4057906483661116
Energy: 2.399824453383269
Energy: 2.4087853985236807
Energy: 2.4089504129979766
Energy: 2.301470690433862
Energy: 2.4065814169635176
Energy: 2.4091704971178554
Energy: 2.417922429003879
Energy: 2.4180050174070207
Energy: 2.885898058108904
Energy: 2.42034571440947
Energy: 2.4089607602469973
Energy: 2.556753397387726
Energy: 2.546512381165465
Energy: 2.65027477889355
Energy: 2.63607611223951
Energy: 2.4110569015054706
Energy: 2.5460851046211426
Energy: 2.6886191571948803
Energy: 2.4178943459247635
Energy: 2.875066795977352
Energy: 2.3994172076136904
Energy: 2.87520387323802
Energy: 2.402410510723179
Energy: 2.6807790362487998
Energy: 2.876677815890783
Energy: 2.08249184788379
Energy: 2.084101679367747
Energy: 2.080845050322754
Energy: 2.4038933384416694
Energy: 2.8587615667861144
Energy: 2.0740103642510532
Energy: 2.072153893302389
Energy: 2.076175214812528
Energy: 2.0726098842377114
Energy: 2.950421241921581
Energy: 2.7595996411409343
Energy: 2.0805276545213944
Energy: 2.0821027667767065
Energy: 2.0814182669219057
Energy: 2.080802612830701
Energy: 2.321477681938181
Energy: 2.6614890141273673
Energy: 2.6329023836402645
Energy: 2.0831054317639537
Energy: 2.0841105311537858
Energy: 2.658510756283411
Energy: 2.8734770117551576
Energy: 2.5690948019513993
Energy: 2.6393459962695274
Energy: 2.6010177695175267
Energy: 3.0795652803184175
Energy: 2.6143267831662014
Energy: 2.7451952982794916
Energy: 2.0823458381300104
Energy: 2.083431757958631
Energy: 2.083226499519692
Energy: 3.079190174863088
Energy: 2.0817014891221426
Energy: 2.083707835899433
Energy: 2.0743733862663527
Energy: 2.0725534406616153
Energy: 2.073864967941569
Energy: 2.854631630637399
Energy: 2.0739953251229415
Energy: 2.074381101994799
Energy: 2.0834566658038884
Energy: 2.0819707963182847
Energy: 2.418482050828997
Energy: 2.9050759841206806
Energy: 2.5022764037245313
Energy: 2.0813316984069226
Energy: 2.0837574490058417
Energy: 2.8637943341354863
Energy: 2.8846430847471383
Energy: 2.906201112190525
Energy: 2.8865560255443374
Energy: 2.0833623548828855
Energy: 3.0270740781638494
Energy: 2.0761242899707417
Energy: 2.4102588430732523
Energy: 2.5483080751919025
Energy: 2.4093242220170668
Energy: 2.0395959332100975
Energy: 3.027355848262097
Energy: 2.0765415691040414
Energy: 2.4090543346821325
Energy: 2.4071266386903196
Energy: 2.391935233065717
Energy: 2.0371379153158182
Energy: 2.409287982811085
Energy: 2.3071902081742057
Energy: 2.4170968349416415
Energy: 2.3999181152796236
Energy: 2.4203380339210945
Energy: 2.4103114007494177
Energy: 2.408899139883778
Energy: 2.4161699846915843
Energy: 2.4088963277828146
Energy: 2.4088139051797195
Energy: 2.304780099763022
Energy: 2.4047882694059073
Energy: 2.4085527098463237
Energy: 2.41796199867078
Energy: 2.4030968070770315
Energy: 2.399926389483428
Energy: 2.4208054855504835
Energy: 2.4035572167554613
Energy: 2.41012498566556
Energy: 2.4107109766161643
Energy: 2.811453529929827
Energy: 2.3081268085883924
Energy: 2.408913125404168
Energy: 2.409904846334073
Energy: 2.85691473354387
Energy: 2.4244369247716313
Energy: 2.5461883363207245
Energy: 2.8829815701879253
Energy: 2.546363352308017
Energy: 2.865158190403204
Energy: 2.6821584268996914
Energy: 2.8643034786919026
Energy: 2.085709504392345
Energy: 2.0854723312200787
Energy: 2.625576032243256
Energy: 2.670945474095954
Energy: 2.857235911667458
Energy: 2.6299309200561676
Energy: 2.0757193243418137
Energy: 2.080897481350479
Energy: 2.0746123526272267
Energy: 2.868292945418303
Energy: 2.858813092402208
Energy: 2.07841229249821
Energy: 2.0795853299751337
Energy: 2.084362772855045
Energy: 2.078508690389721
Energy: 2.4264572964580693
Energy: 2.6611944589749745
Energy: 2.6395235073845074
Energy: 2.084352853839362
Energy: 2.083470361942139
Energy: 2.08200307840366
Energy: 2.873715112303733
Energy: 2.7598778411841405
Energy: 2.6340026205985034
Energy: 2.0815370948811114
Energy: 3.002809925831117
Energy: 2.074742135274668
Energy: 2.6330420634084155
Energy: 2.083594273733288
Energy: 2.082576889202881
Energy: 3.004465642764823
Energy: 2.9834146967403106
Energy: 2.639488325146925
Energy: 2.083408779079823
Energy: 2.0847082590342767
Energy: 2.0762943289919735
Energy: 2.0749677690995085
Energy: 2.8660764352935364
Energy: 2.076427598582699
Energy: 2.080623139924287
Energy: 2.0760322713980295
Energy: 2.074920819383966
Energy: 2.572073604542615
Energy: 2.9052415825324376
Energy: 2.0737998507740403
Energy: 2.0774167950928764
Energy: 2.0854614142106582
Energy: 2.08484940983202
Energy: 2.8628492754693013
Energy: 2.8539070964281796
Energy: 2.864352138010121
Energy: 2.084289998807513
Energy: 2.688212750782461
Energy: 2.592455719537899
Energy: 2.409561106187276
Energy: 2.9054220755004936
Energy: 2.0779043852171823
Energy: 2.588965238366359

minimum gb energy = 2.0371379153158182 eV
minimum distance =  2.41375118711801 Angstroms
sigma value = 67


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

Energy: 3.1776535306537075
Energy: 2.5389625168056935
Energy: 2.5652794628072564
Energy: 2.5643017163402204
Energy: 2.5659194722180536
Energy: 2.3434127217442975
Energy: 2.4368197152646562
Energy: 2.37032422202718
Energy: 2.4607254493333124
Energy: 2.4345255737741773
Energy: 2.475506545041027
Energy: 2.460539089457509
Energy: 2.4378291203157096
Energy: 2.2104380728103554
Energy: 2.461376641621932
Energy: 2.4453390649273126
Energy: 2.3681373610453345
Energy: 2.436931292110172
Energy: 2.438375663041982
Energy: 2.4765989983002763
Energy: 2.2105611247356474
Energy: 2.4542545019464534
Energy: 2.206806900518985
Energy: 2.4772562045007627
Energy: 2.438452049740844
Energy: 2.4769686545789202
Energy: 2.4800134693657987
Energy: 2.2643242625472246
Energy: 2.4856667081060153
Energy: 2.4343580145335015
Energy: 2.4365866906165596
Energy: 2.505511252406455
Energy: 2.6269158644237423
Energy: 2.6065599602251277
Energy: 2.4393384553561908
Energy: 2.505316308349012
Energy: 2.8719467131428993
Energy: 2.478745842787209
Energy: 2.8820934254112696
Energy: 2.281761926403337
Energy: 2.8809249408119335
Energy: 2.4824502095115673
Energy: 2.9202163233775713
Energy: 2.805882493399509
Energy: 2.2209606261275168
Energy: 2.2217098785413243
Energy: 2.214790935061065
Energy: 2.9516812509101626
Energy: 2.7677821835459775
Energy: 2.217396847563025
Energy: 2.211836076989834
Energy: 2.2165789818838677
Energy: 2.214146185662444
Energy: 2.752903542984133
Energy: 2.7673161897750806
Energy: 2.141816652562959
Energy: 2.2203118102291968
Energy: 2.2214044133733513
Energy: 2.012301764240812
Energy: 2.1619522016868453
Energy: 2.8069241390674886
Energy: 2.4442838215503917
Energy: 2.44709840857149
Energy: 2.2241188447201394
Energy: 2.445179874924599
Energy: 2.4255355687806714
Energy: 2.4585024882319435
Energy: 2.026021817094649
Energy: 2.013271358362192
Energy: 2.71635655475217
Energy: 2.0190451554359043
Energy: 2.4321525084873574
Energy: 2.427080490139349
Energy: 2.026496235535446
Energy: 2.0154012540492423
Energy: 2.7161227812010598
Energy: 2.015318248146272
Energy: 2.0264540733786984
Energy: 2.475220459804569
Energy: 2.3908300946456
Energy: 2.40720292074689
Energy: 2.568880071046221
Energy: 2.3851103995523855
Energy: 2.387025244743213
Energy: 2.4204170508451086
Energy: 2.0167174490253617
Energy: 2.604827826554558
Energy: 2.5725085489809807
Energy: 2.1586796140546154
Energy: 2.028288914792195
Energy: 2.4170870811285217
Energy: 2.603886245771604
Energy: 2.6017358636217414
Energy: 2.5755480311554
Energy: 2.601483864438109
Energy: 2.4271586817355875
Energy: 2.8571849267196097
Energy: 2.5467455844014757
Energy: 2.567680335877203
Energy: 2.566872366392805
Energy: 2.567955092998354
Energy: 2.586330085946713
Energy: 2.8590851895619096
Energy: 2.5564060625473095
Energy: 2.5684770358023292
Energy: 2.6920868349378546
Energy: 2.5666681172429104
Energy: 2.554377003816171
Energy: 2.089595926195921
Energy: 2.0920919045252044
Energy: 2.927668930527359
Energy: 2.927264668897477
Energy: 2.5558626725569793
Energy: 2.0914212951471303
Energy: 2.090904510918108
Energy: 2.0823557186814874
Energy: 2.566640931854396
Energy: 2.6789062840936473
Energy: 2.088366419221196
Energy: 2.0829299040210594
Energy: 2.080705294202273
Energy: 2.0810679578905793
Energy: 2.085280493574761
Energy: 2.841153179557284
Energy: 2.0829552786743073
Energy: 2.0783618344254804
Energy: 2.0934792572095495
Energy: 2.089998253330677
Energy: 2.5601555558684117
Energy: 2.443992625522493
Energy: 2.3669265652022706
Energy: 2.088678939516263
Energy: 2.5701372794889266
Energy: 2.4962090088244957
Energy: 2.4628098133983145
Energy: 2.823364020695874
Energy: 2.471474146927424
Energy: 2.577514908646255

minimum gb energy = 2.012301764240812 eV
minimum distance =  2.37739951181334 Angstroms
sigma value = 33


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

Energy: 3.2631024786849196
Energy: 2.9903515968108234
Energy: 2.6676321759544557
Energy: 2.663129779617248
Energy: 2.6419505360959006
Energy: 3.161713107289712
Energy: 2.1813259568953685
Energy: 2.2785722293879687
Energy: 2.6219361564288186
Energy: 2.591662297518213
Energy: 2.4403608354815933
Energy: 2.64677591546122
Energy: 2.178766998241471
Energy: 1.9662553573412476
Energy: 2.639137568148871
Energy: 2.403237493163431
Energy: 2.4582961398777505
Energy: 2.18001122763592
Energy: 2.1884991919110255
Energy: 2.18984454986848
Energy: 2.325512527677293
Energy: 2.590048160317331
Energy: 1.9651572444072187
Energy: 2.193267913595936
Energy: 2.177649676236264
Energy: 2.1938260139708574
Energy: 2.190021720585381
Energy: 2.620603532527482
Energy: 2.1901323061956783
Energy: 2.1836242488995947
Energy: 2.184577692493693
Energy: 2.1810456593951084
Energy: 2.8343053531135496
Energy: 2.636100863032506
Energy: 2.832130185263222
Energy: 2.187746251721704
Energy: 2.844508450203634
Energy: 2.1889194887586734
Energy: 2.8328540551169055
Energy: 2.6210827530170056
Energy: 2.984343043377323
Energy: 2.3919099823499
Energy: 2.843330069195202
Energy: 2.1010481121536615
Energy: 2.178289376534134
Energy: 2.179712868969734
Energy: 2.1793153868969153
Energy: 2.385266298386824
Energy: 2.619595746776602
Energy: 2.19099537147866
Energy: 2.185759601778508
Energy: 2.190363728486708
Energy: 2.1878269903553216
Energy: 2.591800048045328
Energy: 2.5949856016124975
Energy: 2.2702410855920734
Energy: 2.1837854120469378
Energy: 2.189047980360786
Energy: 1.9649485945491876
Energy: 2.5950757248978036
Energy: 2.591723192774812
Energy: 2.6362191673637643
Energy: 1.977523633163487
Energy: 2.180841741055053
Energy: 2.6449237018988323
Energy: 2.638077581669363
Energy: 2.5748954585339794
Energy: 2.5843788810765767
Energy: 1.9679992811756217
Energy: 2.440073863213335
Energy: 2.54324780801966
Energy: 2.583371917734067
Energy: 2.678007523815001
Energy: 2.589006384708116
Energy: 2.0144688002476077
Energy: 2.4404335121900194
Energy: 2.5456337948390777
Energy: 2.8975187301444336
Energy: 2.785051900962728
Energy: 3.0357887550219966
Energy: 1.9653409526681023
Energy: 1.972139694853217
Energy: 3.0437246328633325
Energy: 2.8865220545537627
Energy: 2.7886511192379277
Energy: 1.9666604001861419
Energy: 1.9658933781190577
Energy: 1.9727246748036495
Energy: 1.9655471430521925
Energy: 2.5234118764805413
Energy: 2.8395444605372804
Energy: 1.9659535020152186
Energy: 1.96547639135107
Energy: 1.9688057548158615
Energy: 1.9671304510820358
Energy: 2.896388983483911
Energy: 2.5962337399994784
Energy: 2.8042535219460785
Energy: 1.971494594144083
Energy: 1.971288084222703
Energy: 1.9693733906594313
Energy: 2.6242136838386014
Energy: 2.8409294875767954
Energy: 2.6419355041193886
Energy: 2.8113169980444335
Energy: 2.1823050351705757
Energy: 1.9656478563053512
Energy: 2.6170567930571096
Energy: 2.6244918810151328
Energy: 2.6112616968981737
Energy: 2.3842246156113056
Energy: 3.1590060390049954
Energy: 2.575206118648326
Energy: 2.6534723819805595
Energy: 2.587276319492271
Energy: 2.605269973624059
Energy: 2.2804892400179697
Energy: 2.384800354088096
Energy: 2.2880704827387164
Energy: 2.5937960066445322
Energy: 2.3989797836492697
Energy: 2.642247998006516
Energy: 2.1817851936639996
Energy: 2.1825542593782687
Energy: 2.2613255463663426
Energy: 2.637870807468832
Energy: 2.589613046597898
Energy: 1.9668009997952614
Energy: 2.187981885003476
Energy: 2.182427068613305
Energy: 2.1894749222682597
Energy: 2.5877234915784046
Energy: 2.6214072501784416
Energy: 2.1892022783044007
Energy: 2.196218309518251
Energy: 2.180267126937718
Energy: 2.195475160223799
Energy: 2.1866435781888423
Energy: 2.833170757954429
Energy: 3.0879266833575367
Energy: 2.183363881566638
Energy: 2.184255983827532
Energy: 2.1807982881355996
Energy: 3.029230079017247
Energy: 2.6226698137342157
Energy: 2.3655742011742147
Energy: 2.1933846280776863
Energy: 2.9398320050365085
Energy: 2.1939778989359247
Energy: 2.520199018965133
Energy: 2.1798174454574974
Energy: 2.1791207411458418
Energy: 3.1611162213943316
Energy: 2.7858308576115616
Energy: 2.1805922227899193
Energy: 2.1802372112241026
Energy: 2.188209585727008
Energy: 2.1867405118212364
Energy: 1.9659318102224321
Energy: 2.619864565182205
Energy: 2.187799702264831
Energy: 2.1886810647570707
Energy: 2.188277547952012
Energy: 2.1870448745102364
Energy: 2.102460985622781
Energy: 2.59589657906242
Energy: 1.9814554872807624
Energy: 2.1891281733384256
Energy: 2.1805897224556166
Energy: 1.965889786397236
Energy: 2.6470070565557333
Energy: 2.5925595058870887
Energy: 2.637912194608548
Energy: 2.179516364913564
Energy: 2.585650924427601
Energy: 1.9764676225101236
Energy: 2.5842130458917008
Energy: 2.5868286119679453
Energy: 2.6051711437939633
Energy: 2.182507517833006
Energy: 2.4400200770286413
Energy: 2.518113089737037
Energy: 2.5773918920242354
Energy: 2.679084861616658
Energy: 2.5903913991073217
Energy: 2.8443288168194907
Energy: 1.9783449123885912
Energy: 1.966295294428608
Energy: 2.636209739896278
Energy: 2.786535733540762
Energy: 3.035922343635097
Energy: 1.9729714971853285
Energy: 1.9716958285759367
Energy: 1.9669769582498864
Energy: 1.983030894375957
Energy: 2.7849783610695615
Energy: 1.9667860819345864
Energy: 1.9715874753350047
Energy: 1.9641821362866032
Energy: 1.96647692410685
Energy: 1.9652873729961262
Energy: 2.801739939975053
Energy: 1.9676689557000646
Energy: 1.963789504032635
Energy: 1.9727734088336724
Energy: 1.9666094541497992
Energy: 2.636141296582272
Energy: 2.84000145415828
Energy: 1.964945736016563
Energy: 1.9710457791046263
Energy: 1.9795704069467726
Energy: 3.0418255055309085
Energy: 2.624651824496405
Energy: 2.8425713893837616
Energy: 3.0343780141045955
Energy: 2.181952802682209
Energy: 2.8291684434835975
Energy: 2.6761477591575056
Energy: 2.637263354206671
Energy: 2.6373713997632766
Energy: 2.577727204493639
Energy: 3.159853736308704

minimum gb energy = 1.963789504032635 eV
minimum distance =  2.43601942982337 Angstroms
sigma value = 41


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

Energy: 2.990109804365276
Energy: 2.858287156126584
Energy: 2.1700913132106976
Energy: 2.171063650641034
Energy: 2.1703775638069347
Energy: 2.8950529274203887
Energy: 2.189896161332944
Energy: 1.7869703025804409
Energy: 1.7871638710420656
Energy: 2.1929427369182664
Energy: 1.7867956167438643
Energy: 2.2218763340011995
Energy: 2.1945163130710643
Energy: 1.786063267505305
Energy: 1.7884236452289368
Energy: 1.6901739238892084
Energy: 1.7855025237576267
Energy: 2.2298631034770233
Energy: 2.3473918240241507
Energy: 2.313211458857558
Energy: 1.7888335704559932
Energy: 2.228548267435901
Energy: 1.7885368983557388
Energy: 2.314457818846025
Energy: 2.193289481330069
Energy: 2.1931749461663435
Energy: 2.3222240696496392
Energy: 2.1906370323928943
Energy: 2.3225623844197174
Energy: 2.1942048814396182
Energy: 2.167904190150105
Energy: 2.1688645276215235
Energy: 2.845849819819167
Energy: 2.3048452408821785
Energy: 2.862976555875108
Energy: 2.169212941628306
Energy: 2.685356104496836
Energy: 2.319012514075273
Energy: 2.325270595374166
Energy: 2.193124683382037
Energy: 2.320966192327964
Energy: 2.9096897537689066
Energy: 2.685588518754199
Energy: 2.326939356611636
Energy: 2.1892420969191777
Energy: 2.192789855886853
Energy: 1.7873993781456408
Energy: 2.8920767329419577
Energy: 2.1913757406163565
Energy: 1.7866854168190367
Energy: 1.787480311504785
Energy: 1.691545035310763
Energy: 1.7898651538567125
Energy: 2.2226225621658795
Energy: 2.211536564587174
Energy: 1.7864243537690347
Energy: 1.7879677139648733
Energy: 2.212744969033545
Energy: 1.7902207063187991
Energy: 2.3220546604572614
Energy: 2.2104809507963017
Energy: 2.328578507617412
Energy: 1.7876015316711424
Energy: 2.228452713123124
Energy: 2.326465050877574
Energy: 2.324858207018525
Energy: 2.174522985921913
Energy: 2.172547640789337
Energy: 2.3225454042723808
Energy: 2.3065554403120143
Energy: 2.2088131125739148
Energy: 2.1735236021874864
Energy: 2.1750719078241096
Energy: 2.191306969901379
Energy: 2.322933620185394
Energy: 2.194168657607624
Energy: 2.2075827732402784
Energy: 2.169658884225469
Energy: 2.6853280455899786
Energy: 2.3284483365118134
Energy: 2.1727717381278753
Energy: 2.202059531636414
Energy: 1.7903393998989285
Energy: 2.8922172479876798

minimum gb energy = 1.6901739238892084 eV
minimum distance =  2.41555643074477 Angstroms
sigma value = 11


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

Energy: 2.9871133138509625
Energy: 2.993728392558985
Energy: 2.422916452089747
Energy: 2.421141209790591
Energy: 2.419150822763448
Energy: 3.177577573380297
Energy: 2.1276819840238366
Energy: 2.446760098501904
Energy: 2.6665588541368033
Energy: 2.522784925253721
Energy: 2.4096955759954803
Energy: 2.1464427727312447
Energy: 2.123098113657301
Energy: 2.147452300791475
Energy: 2.401757312124575
Energy: 2.604357780934932
Energy: 2.4019621320368736
Energy: 2.128756418716532
Energy: 2.1240705798992763
Energy: 2.1468590796265365
Energy: 2.149607780539851
Energy: 2.5226622076036564
Energy: 2.149066648149172
Energy: 2.133127229464919
Energy: 2.1251981144219676
Energy: 2.1274300145376652
Energy: 2.4406283625607976
Energy: 2.635316045433371
Energy: 2.147365352094997
Energy: 2.126275953475752
Energy: 2.127874675746786
Energy: 2.128487433525025
Energy: 2.904116732516346
Energy: 2.634814397493976
Energy: 2.9005259998203448
Energy: 2.1285980238008166
Energy: 2.452947905433373
Energy: 2.427371676630004
Energy: 2.567326355593784
Energy: 2.6366948728308905
Energy: 2.4171862181556336
Energy: 2.657448755410444
Energy: 2.4534944590720937
Energy: 2.424890340683689
Energy: 2.4579337814806492
Energy: 2.4583722837289796
Energy: 2.4586778062369588
Energy: 2.8980242539234724
Energy: 2.1272473261347047
Energy: 2.1284222557240033
Energy: 2.6350627349011426
Energy: 2.7766657877499163
Energy: 2.4230445266875162
Energy: 2.1279500032584164
Energy: 2.298659764572658
Energy: 2.2520613292184364
Energy: 2.39505428773621
Energy: 2.7768638347655266
Energy: 2.3947238172473724
Energy: 2.3000161484002635
Energy: 2.2999604837943255
Energy: 2.3686181676628877
Energy: 2.205156807718841
Energy: 2.299650911011638
Energy: 2.4169730003558385
Energy: 2.3734228601302085
Energy: 2.300439692044822
Energy: 2.1952969676058407
Energy: 2.3681072419236013
Energy: 2.2995015235975518
Energy: 2.4194393267050396
Energy: 2.3507549661369183
Energy: 2.3454557443996227
Energy: 2.3732065544604874
Energy: 2.346083212668388
Energy: 2.2999724402779074
Energy: 2.3696860596363765
Energy: 2.29897811602609
Energy: 2.6320155036197748
Energy: 2.2512761684640847
Energy: 2.250647062391114
Energy: 2.3049094172246534
Energy: 2.2499776426400833
Energy: 2.453487799552181
Energy: 2.4585553184755278
Energy: 2.40781881199479
Energy: 2.146291565190259
Energy: 2.1281829152930314
Energy: 2.1321466484137876
Energy: 2.635489375845457
Energy: 2.3108106824084955
Energy: 2.3003364373950337
Energy: 3.218502925206611
Energy: 3.187462691208188
Energy: 2.8789775512897493
Energy: 2.3111317375613623
Energy: 2.5232968219733136
Energy: 2.350106018306734
Energy: 2.4429559737946667
Energy: 2.108923005418505
Energy: 2.453913248562172
Energy: 2.6357303679442152
Energy: 2.4801846742289326
Energy: 2.401909876664979
Energy: 2.1294433455749138
Energy: 2.1228343067812703
Energy: 2.4250684416343615
Energy: 2.6073534053070198
Energy: 2.5226081489942582
Energy: 2.150317386985528
Energy: 2.1286129488602197
Energy: 2.1289110223463035
Energy: 2.1473680198585736
Energy: 2.4086037795509623
Energy: 2.634843886915694
Energy: 2.147736334402655
Energy: 2.127622326608523
Energy: 2.1261995773975606
Energy: 2.1451208647355453
Energy: 2.477167710323426
Energy: 2.6348829326685337
Energy: 2.900102392208136
Energy: 2.13078745319099
Energy: 2.1279826801360424
Energy: 2.412019617861444
Energy: 2.9048513631228485
Energy: 2.6348253409922657
Energy: 2.567301658482081
Energy: 2.4270703651930114
Energy: 2.4528600722305955
Energy: 2.396307006428883
Energy: 2.6349502993050185
Energy: 2.3068633475709097
Energy: 2.404331639484109
Energy: 3.2193080581547133
Energy: 2.5615978068758487
Energy: 2.8952669659776156
Energy: 2.404157897986522
Energy: 2.7767280982675815
Energy: 2.4402297712007788
Energy: 2.128341846847171
Energy: 2.127249261341251
Energy: 2.251962018742989
Energy: 2.7783156478593924
Energy: 2.7769848187211297
Energy: 2.393954267481749
Energy: 2.249331448013149
Energy: 2.2992780242685296
Energy: 2.2506402065158313
Energy: 2.935658227562109
Energy: 2.2373585022279063
Energy: 2.4169789778294337
Energy: 2.377568532674761
Energy: 2.2996692221953796
Energy: 2.368256705755034
Energy: 2.298954406029526
Energy: 2.2997164804471866
Energy: 2.4247927740765736
Energy: 2.3497618927750406
Energy: 2.299707888882869
Energy: 2.195937468681273
Energy: 2.3452552565543243
Energy: 2.2998915669012776
Energy: 2.368180059533543
Energy: 2.182055753234448
Energy: 2.2373393111605147
Energy: 2.3713024690396614
Energy: 2.344893420851745
Energy: 2.2374987986853974
Energy: 2.25334139009103
Energy: 2.3504122152236393
Energy: 2.6316652683202872
Energy: 2.251394567074474
Energy: 2.251893146477019
Energy: 2.128457866693987
Energy: 2.662515679191676
Energy: 2.6669948721940617
Energy: 2.4582355007429424
Energy: 2.4541921828428857
Energy: 2.127905015102151
Energy: 2.7766839755229484
Energy: 3.089095611764374
Energy: 2.3006928374038225
Energy: 2.310447489429786
Energy: 2.3024611580053396
Energy: 3.224062659637552

minimum gb energy = 2.108923005418505 eV
minimum distance =  2.48076401396407 Angstroms
sigma value = 57


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

Energy: 3.5378563140728168
Energy: 3.09650982548268
Energy: 2.2200052831485424
Energy: 2.32985502947358
Energy: 2.577279051232299
Energy: 3.2156033249421854
Energy: 2.221278535251774
Energy: 2.321811591648222
Energy: 2.3201630810885434
Energy: 2.2212643720400473
Energy: 2.3413031856759647
Energy: 2.319643509026443
Energy: 2.219104627531819
Energy: 2.284568144737124
Energy: 2.2831251802599906
Energy: 2.239606397971219
Energy: 2.283664032880968
Energy: 2.2216333733535927
Energy: 2.220900494518424
Energy: 2.2416827069091223
Energy: 2.2770381945006184
Energy: 2.2195730910786584
Energy: 2.277491854431736
Energy: 2.2452807543300315
Energy: 2.2196433465028496
Energy: 2.2419568698446026
Energy: 2.3399760924750597
Energy: 2.221119643271129
Energy: 2.3415096323879476
Energy: 2.241102483712511
Energy: 2.2197683267834294
Energy: 2.284369422681518
Energy: 2.742284677405909
Energy: 2.221249151754149
Energy: 2.747632661711668
Energy: 2.2211379692045026
Energy: 2.213916675512794
Energy: 2.3296190389053026
Energy: 2.220940560683924
Energy: 2.2202334200819274
Energy: 2.2209930079817886
Energy: 2.341872846416128
Energy: 2.2142128171497286
Energy: 2.241835471758696
Energy: 2.2197997964101948
Energy: 2.219997457413113
Energy: 2.221142230323732
Energy: 2.3309147139405737
Energy: 2.219061069754722
Energy: 2.2200876837207764
Energy: 2.3068964876694604
Energy: 2.193682441849331
Energy: 2.7430687529633784
Energy: 2.220597652971872
Energy: 2.2186426786677558
Energy: 2.219795893535903
Energy: 2.3066504252856155
Energy: 2.193793429004537
Energy: 2.2873967475789705
Energy: 2.220138134051782
Energy: 2.193180041271425
Energy: 2.287157420105485
Energy: 2.320459847975617
Energy: 2.220582819602615
Energy: 2.4955995407198275
Energy: 2.328970010780594
Energy: 2.19321233942715
Energy: 2.322865374273364
Energy: 2.2423749676858615
Energy: 2.2207673565101294
Energy: 2.243387287095059
Energy: 2.3401339912196057
Energy: 2.220118555535413
Energy: 2.2789683599508055
Energy: 2.2757539322754283
Energy: 2.261304206879584
Energy: 2.2749287275393897
Energy: 2.2203345101308933
Energy: 2.223103563636848
Energy: 2.2853407751342796
Energy: 2.2420807010699946
Energy: 2.2194758153108403
Energy: 2.2802532117404617
Energy: 2.740550110303705
Energy: 2.2193642091296355
Energy: 2.221332046021469
Energy: 2.3218568693498227
Energy: 2.2197780853018934
Energy: 2.7443604888709245
Energy: 2.220907520999415
Energy: 2.553340983899861
Energy: 2.575780093058614
Energy: 2.576531263859697
Energy: 2.725335515077822
Energy: 2.5767730744107027
Energy: 2.5534151681549857
Energy: 2.1939489102330767
Energy: 2.2207372814904076
Energy: 2.319445503478119
Energy: 2.219830584086465
Energy: 2.344704084883787
Energy: 2.2205913268351014

minimum gb energy = 2.193180041271425 eV
minimum distance =  2.43319105765584 Angstroms
sigma value = 9


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

Energy: 3.760486945752777
Energy: 2.379747127746889
Energy: 2.378837716270157
Energy: 2.382910939389533
Energy: 2.2576293002068932
Energy: 3.347010790427111
Energy: 2.2617353540368423
Energy: 2.4599849497048547
Energy: 2.3756062262029927
Energy: 2.25562759000236
Energy: 2.506256704166048
Energy: 2.2894383861422756
Energy: 2.261308260549783
Energy: 2.2521286690854136
Energy: 2.423327466282041
Energy: 2.4235566652971734
Energy: 2.3742252046377104
Energy: 2.252323619476134
Energy: 2.3403727760991853
Energy: 2.2533978620593014
Energy: 2.286043483122009
Energy: 2.256608530330541
Energy: 2.3914308174434575
Energy: 2.3354814631160083
Energy: 2.347825288509738
Energy: 2.3652310670884273
Energy: 2.3652306745364995
Energy: 2.2686645365596703
Energy: 2.338652421349639
Energy: 2.3695270064334384
Energy: 2.256439205748728
Energy: 2.3640324778270836
Energy: 2.364920025162236
Energy: 2.268583012482558
Energy: 2.363818478601172
Energy: 2.254438528442254
Energy: 2.2671231761594197
Energy: 2.389558749243929
Energy: 2.251769976575661
Energy: 2.2572510016518224
Energy: 2.2536837385537782
Energy: 2.5031100908074224
Energy: 2.345666140459131
Energy: 2.8900279892012954
Energy: 2.2539096072778544
Energy: 2.259738605592456
Energy: 2.252400894152283
Energy: 2.8908800466110294
Energy: 2.464700974395656
Energy: 2.550504446127856
Energy: 2.5042962326866154
Energy: 2.5381498633989135
Energy: 2.4615394064966587
Energy: 2.34620817275996
Energy: 2.47048727692735
Energy: 2.636829777859846
Energy: 2.5044899946721304
Energy: 2.5375313668004797
Energy: 2.4603143712564153
Energy: 2.636819707135388
Energy: 2.3215996147901405
Energy: 2.8889768982224275
Energy: 2.2717302000581348
Energy: 2.2598307926329233
Energy: 2.253546022674532
Energy: 2.932579036578267
Energy: 2.322101997928076
Energy: 2.5056600414756356
Energy: 2.254534408364561
Energy: 2.258525852163301
Energy: 2.286816606147973
Energy: 2.6430412410418382
Energy: 2.2596606721253454
Energy: 2.2530178857516323
Energy: 2.4607815458835214
Energy: 2.1775089411313244
Energy: 2.3746900108232833
Energy: 2.270653238883914
Energy: 2.2585345211393184
Energy: 2.335365427150331
Energy: 2.505377164151972
Energy: 2.1776228448609225
Energy: 2.3892579031455816
Energy: 2.340029977707048
Energy: 2.348325919010351
Energy: 2.3674828827142993
Energy: 2.2856656417847083
Energy: 2.258665688337231
Energy: 2.337157302938319
Energy: 2.363976888685903
Energy: 2.344264638449088
Energy: 2.3386779684816457
Energy: 2.364435277437776
Energy: 2.363623356117168
Energy: 2.366665427218239
Energy: 2.289055054182087
Energy: 2.2564504460149206
Energy: 2.3892545708023962
Energy: 2.252839023049824
Energy: 2.253833621167373
Energy: 2.25345713320436
Energy: 2.3727828948416168
Energy: 2.25729756874084
Energy: 2.3753851113874895
Energy: 2.252682334753638
Energy: 2.2648598039633763
Energy: 2.252790576790931
Energy: 2.8903418678734725
Energy: 2.257136931249263
Energy: 2.347239387872066
Energy: 2.3733145802182487
Energy: 2.4284661660403506
Energy: 2.505492861479944
Energy: 2.5502146122888205
Energy: 2.2598843499829915
Energy: 2.506530373366129
Energy: 2.6524189368310807
Energy: 2.841549515052252
Energy: 2.5062319327693316
Energy: 2.262526269172004
Energy: 2.322057186348052
Energy: 2.5035528825887923
Energy: 2.4356110456048237
Energy: 2.2603743157625162
Energy: 2.374507849073556
Energy: 2.5500396742350384

minimum gb energy = 2.1775089411313244 eV
minimum distance =  2.45595546552274 Angstroms
sigma value = 27


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

Energy: 2.543082952721626
Energy: 2.403099443269594
Energy: 2.4034376179533217
Energy: 2.403458118775299
Energy: 2.4029569784156206
Energy: 2.9271412434858823
Energy: 2.208949764118888
Energy: 2.4534611525821655
Energy: 2.279227978766865
Energy: 2.3744437169862627
Energy: 2.6670264718721484
Energy: 2.404694259015892
Energy: 2.2078374445030717
Energy: 2.3019895694403316
Energy: 2.7044532685968066
Energy: 2.7047228791993403
Energy: 2.454761869013125
Energy: 2.301002756856362
Energy: 2.2124735632674843
Energy: 2.30158645101743
Energy: 2.507221921841644
Energy: 2.279328398544181
Energy: 2.4717894801233444
Energy: 2.301412972941165
Energy: 2.194723365625825
Energy: 2.4735121127035335
Energy: 2.373444137091989
Energy: 2.297021922807116
Energy: 2.373770746716941
Energy: 2.4730206305747418
Energy: 2.276317238534929
Energy: 2.397203863103983
Energy: 2.367596500126598
Energy: 2.3371905819521297
Energy: 2.4335405834658856
Energy: 2.212459686437053
Energy: 2.2242712516029455
Energy: 2.492730370057149
Energy: 2.3866537956815557
Energy: 2.3209800962532188
Energy: 2.3850224152177857
Energy: 2.4933618702533416
Energy: 2.2670190529436707
Energy: 2.492654325229638
Energy: 2.566431721057331
Energy: 2.3238342000610475
Energy: 2.494534003973274
Energy: 2.492603964504718
Energy: 2.1777960288376246
Energy: 2.2944981556758304
Energy: 2.380509886318522
Energy: 2.265273208584918
Energy: 2.2953449275699698
Energy: 2.2923664454872474
Energy: 2.177388435980255
Energy: 2.316177051159673
Energy: 2.619658986005987
Energy: 2.264907721967074
Energy: 2.380136908755272
Energy: 2.176909504634021
Energy: 2.5304921587537144
Energy: 2.5343085725196843
Energy: 2.178392245474053
Energy: 2.2419989473275854
Energy: 2.1781892862178425
Energy: 2.9049461255898748
Energy: 2.531465393386871
Energy: 2.533433588924471
Energy: 2.177868781617469
Energy: 2.166940859893515
Energy: 2.437645457318859
Energy: 2.166195242138098
Energy: 2.1776525151291986
Energy: 2.177431953542005
Energy: 2.166810103780695
Energy: 2.164540661912827
Energy: 2.1764464257809566
Energy: 2.176935735145922
Energy: 2.1760199558928464
Energy: 2.2374290269798847
Energy: 2.533817133842033
Energy: 2.1655916646401385
Energy: 2.1679765074754247
Energy: 2.2366928929721057
Energy: 2.2248378467482506
Energy: 2.5892433272996698
Energy: 2.2627955689221517
Energy: 2.358810832787933
Energy: 2.2596711519366255
Energy: 2.5778548530317242
Energy: 2.225243594588927
Energy: 2.5358524628977346
Energy: 2.313023335678167
Energy: 2.2303906650960705
Energy: 2.4927451887712953
Energy: 2.314999771861618
Energy: 2.175383520534598
Energy: 2.1760143192455614
Energy: 2.574448698961632
Energy: 2.4136433107149897
Energy: 2.305851215616354
Energy: 2.1756341160190433
Energy: 2.2818115831274484
Energy: 2.3656007649846975
Energy: 2.4332344319118495
Energy: 2.2553544669513577
Energy: 2.3656981368038172
Energy: 2.368818547934044
Energy: 2.176475495687827
Energy: 2.3979820592297556
Energy: 2.545086154773628
Energy: 2.2706044529226603
Energy: 2.5450487499751
Energy: 2.3992528045144685
Energy: 2.239648186176451
Energy: 2.425793648182609
Energy: 2.479269520349992
Energy: 2.4790286669678885
Energy: 2.4806778512816603
Energy: 2.3201357311198256
Energy: 2.2202336030043752
Energy: 2.479440421751157
Energy: 2.2877127777290776
Energy: 2.2719922772271897
Energy: 2.2880951296412904
Energy: 2.453310879078303
Energy: 2.192365968430287
Energy: 2.460645329004321
Energy: 2.2884060500682804
Energy: 2.276898302002204
Energy: 2.4656295257035765
Energy: 2.9245923481255
Energy: 2.2840889624996357
Energy: 2.28181720206667
Energy: 2.4587874873231828
Energy: 2.5315673068465783
Energy: 2.6668187112872332
Energy: 2.2091916468230903
Energy: 2.2085498419536314
Energy: 2.2092774117843557
Energy: 2.568876872958546
Energy: 2.5316465843174023
Energy: 2.628992796443272
Energy: 2.20952090928181
Energy: 2.222376248090982
Energy: 2.665827166229833
Energy: 2.508499266373086
Energy: 2.3687094976255665
Energy: 2.3731734727076668
Energy: 2.580066404581616

minimum gb energy = 2.164540661912827 eV
minimum distance =  2.43200597202861 Angstroms
sigma value = 19


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

Energy: 2.6029499596601973
Energy: 2.2682879511189036
Energy: 2.2674032303660043
Energy: 2.2682551273096943
Energy: 2.2680484300289314
Energy: 2.106958395429164
Energy: 2.1137099114507087
Energy: 2.399194506804719
Energy: 2.1284390349481024
Energy: 2.1278178870865716
Energy: 2.3995585270303827
Energy: 2.127549511230719
Energy: 2.119588013363482
Energy: 2.117547296242393
Energy: 2.5765397374654206
Energy: 2.577268828617989
Energy: 2.39954985021141
Energy: 2.1182252698719792
Energy: 2.1177688450109917
Energy: 2.1140374723330178
Energy: 2.3630031997317404
Energy: 2.1286642634301174
Energy: 2.451873344706713
Energy: 2.1178956151150965
Energy: 2.1228538183079206
Energy: 2.3648725010890206
Energy: 2.2900634725187134
Energy: 2.16285065674465
Energy: 2.2910190731226017
Energy: 2.4515980347682067
Energy: 2.11752376736894
Energy: 2.3749703465213563
Energy: 2.2893720453138986
Energy: 2.1522798131423353
Energy: 2.3524142892913407
Energy: 2.117938140855859
Energy: 2.151218716042793
Energy: 2.2998228980172706
Energy: 2.303033983860486
Energy: 2.3007455183382284
Energy: 2.299571519330313
Energy: 2.3010149868381866
Energy: 2.151001501163522
Energy: 2.299454065889165
Energy: 2.1179735256525
Energy: 2.119582466538388
Energy: 2.374527668445437
Energy: 2.3006397644695884
Energy: 2.1263082834895286
Energy: 2.291162837912094
Energy: 2.4520640288652538
Energy: 2.1184807667382923
Energy: 2.3639918662604504
Energy: 2.219672213862312
Energy: 2.127398893779949
Energy: 2.1512346445080355
Energy: 2.4519287451342424
Energy: 2.1182366935535892
Energy: 2.4518857565282546
Energy: 2.1285900263386943
Energy: 2.2412098121065123
Energy: 2.1140489476620137
Energy: 2.117886826872995
Energy: 2.119003012121592
Energy: 2.1140788582216627
Energy: 2.401912834465597
Energy: 2.128322947255554
Energy: 2.682747199317572
Energy: 2.277041736079496
Energy: 2.1140005150054404
Energy: 2.2769409852161426
Energy: 2.3991759371257153
Energy: 2.1280283786972456
Energy: 2.1277279614345193
Energy: 2.8599357472619653
Energy: 2.1236305017767507
Energy: 2.128600331597179
Energy: 2.128021322471678
Energy: 2.114631599114266
Energy: 2.277086474522139
Energy: 2.682846143518065
Energy: 2.123543491982516
Energy: 2.3999118658627703
Energy: 2.276721424678912
Energy: 2.3551144062411837
Energy: 2.1407873562797985
Energy: 2.2671067203934436
Energy: 2.2669398838957684
Energy: 2.115128211829104
Energy: 2.0978189192721213
Energy: 2.122782377853749
Energy: 2.6830379196589056
Energy: 2.128834911332852
Energy: 2.1272763979956366
Energy: 2.128638802098036
Energy: 2.57753847435173
Energy: 2.1140128541261975
Energy: 2.114711147310626
Energy: 2.576432649888966
Energy: 2.098347474998831
Energy: 2.3994277125891017
Energy: 2.1181412740843353
Energy: 2.117483008591887
Energy: 2.1186361487453294
Energy: 2.4527443532644475
Energy: 2.0977761015892256
Energy: 2.3314389192830167
Energy: 2.118256712563188
Energy: 2.1235626050288183
Energy: 2.4520409437420096
Energy: 2.128456119723515
Energy: 2.151630824094957
Energy: 2.2897798668797607
Energy: 2.451047625069798
Energy: 2.1188217798186026
Energy: 2.3759271064904732
Energy: 2.2896748060788
Energy: 2.118061057752784
Energy: 2.289522251882585
Energy: 2.3175257349552085
Energy: 2.151459883958353
Energy: 2.1176939445698655
Energy: 2.299915407802726
Energy: 2.2636752456655937
Energy: 2.2991099527648213
Energy: 2.1175393603681516
Energy: 2.1285578233367834
Energy: 2.2992528463224624
Energy: 2.1181117753283982
Energy: 2.1512709401389527
Energy: 2.486004284939174
Energy: 2.2996681065384728
Energy: 2.1187981428391924
Energy: 2.29156147923539
Energy: 2.37547755519306
Energy: 2.1187054477508442
Energy: 2.2908666653918535
Energy: 2.2216754795850404
Energy: 2.1513610746347287
Energy: 2.127688428236133
Energy: 2.4510448484763527
Energy: 2.11814134405702
Energy: 2.4514242707310934
Energy: 2.1285603021139208
Energy: 2.128916751595771
Energy: 2.4519797149472775
Energy: 2.1136446243658464
Energy: 2.1191412793594244
Energy: 2.113715708072026
Energy: 2.4525524316389444
Energy: 2.240636482719038
Energy: 2.3995010163301664
Energy: 2.1149003998091542
Energy: 2.1141610769061594
Energy: 2.1146454176305447
Energy: 2.402559260586399
Energy: 2.127698623181732
Energy: 2.127465578733401
Energy: 2.6830564869439657
Energy: 2.123155886282594
Energy: 2.399477493565122
Energy: 2.1276372293621106
Energy: 2.1144746592446655
Energy: 2.1134746019312938
Energy: 2.396448112090519
Energy: 2.12363836309263
Energy: 2.1281771877650124
Energy: 2.113725176023522
Energy: 2.353424357901552
Energy: 2.399827455008548
Energy: 2.1139821848753386
Energy: 2.2685698779857737
Energy: 2.114487620663502
Energy: 2.576579156168863

minimum gb energy = 2.0977761015892256 eV
minimum distance =  2.42486765073777 Angstroms
sigma value = 101


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

Energy: 2.5275052522871606
Energy: 2.2085742804491937
Energy: 2.2003114867596922
Energy: 2.20168091148862
Energy: 2.2005194069862024
Energy: 2.586354111557044
Energy: 2.040707868427088
Energy: 2.3651765208243307
Energy: 2.0508261193878545
Energy: 2.050282728834933
Energy: 2.3650269600196223
Energy: 2.1946416592475573
Energy: 2.042987667831387
Energy: 2.042169906652335
Energy: 2.588116929497665
Energy: 2.5891813353039783
Energy: 2.04266453471135
Energy: 2.0429541730855734
Energy: 2.04252883802293
Energy: 2.042983477099046
Energy: 2.24518642878459
Energy: 2.049968144594968
Energy: 2.4620753596343588
Energy: 2.043209902291937
Energy: 2.0266904651013182
Energy: 2.251046729447974
Energy: 2.132680887263237
Energy: 2.033063074207423
Energy: 2.131075252851294
Energy: 2.3296353918328316
Energy: 2.0423038361688866
Energy: 2.2905747387427122
Energy: 2.131198313397142
Energy: 2.0559887254395157
Energy: 2.3335768338376113
Energy: 2.0428009888158583
Energy: 2.0680514687957103
Energy: 2.2302217307172794
Energy: 2.291028783280423
Energy: 2.290524263061699
Energy: 2.266855250188116
Energy: 2.2316129750024336
Energy: 2.068963477575639
Energy: 2.2311531165630676
Energy: 2.0294314414359738
Energy: 2.0317501868512635
Energy: 2.338922614700929
Energy: 2.053588278047849
Energy: 2.0892478329269286
Energy: 2.2316926599601854
Energy: 2.2906098863410085
Energy: 2.054498008002755
Energy: 2.2665682043510196
Energy: 2.2337266448790647
Energy: 2.0448655807270133
Energy: 2.067968272597115
Energy: 2.290215267521206
Energy: 2.0542901352124
Energy: 2.2891753657604124
Energy: 2.0424910957191122
Energy: 2.0439202555743656
Energy: 2.1305575834968833
Energy: 2.13189885501679
Energy: 2.1306952519438376
Energy: 2.1310524873708925
Energy: 2.4628388641564882
Energy: 2.1580020141184555
Energy: 2.462299134752016
Energy: 2.050004749085466
Energy: 2.0544518418198248
Energy: 2.05480741257669
Energy: 2.043537083280038
Energy: 2.0424465371250897
Energy: 2.0438243912903156
Energy: 2.0406060439699742
Energy: 2.153967288487918
Energy: 2.0542403910986433
Energy: 2.0430938561396306
Energy: 2.0409368572194544
Energy: 2.194781021868743
Energy: 2.463439239972519
Energy: 2.1536718375379422
Energy: 2.3653647748028677
Energy: 2.0411107455726483
Energy: 2.0460827181658323
Energy: 2.05092713539519
Energy: 2.050105214074767
Energy: 2.050193506758324
Energy: 2.0502024064662736
Energy: 2.8317706816965207
Energy: 2.167947666813613
Energy: 2.6824978709618006
Energy: 2.193418911503219
Energy: 2.0401680886746916
Energy: 2.050718201499864
Energy: 2.0504045994580262
Energy: 2.2001885856591223
Energy: 2.0410131231407638
Energy: 2.0496960552666015
Energy: 2.282525133096877
Energy: 2.0517375691845574
Energy: 2.200824617011034
Energy: 2.0506774767184273
Energy: 2.0506456045256587
Energy: 2.3646387853390394
Energy: 2.023783247491819
Energy: 2.364691635698327
Energy: 2.0504694264684042
Energy: 2.050711465400355
Energy: 2.3726896626029057
Energy: 2.043524442285697
Energy: 2.043006673595752
Energy: 2.0437629121779333
Energy: 2.5891209216297764
Energy: 2.284000218847576
Energy: 2.462104170186853
Energy: 2.0428778818009183
Energy: 2.042305722709377
Energy: 2.0426162394578546
Energy: 2.0509988731205544
Energy: 2.05473548620415
Energy: 2.1322363741276282
Energy: 2.461635495941455
Energy: 2.33082504788881
Energy: 2.2502415352235894
Energy: 2.0288928634922265
Energy: 2.0300345114159812
Energy: 2.131834834204943
Energy: 2.248523241686151
Energy: 2.043419715713692
Energy: 2.29015844984424
Energy: 2.1321212478798786
Energy: 2.0539364356095717
Energy: 2.2925203689900906
Energy: 2.329895724560519
Energy: 2.0695190443206273
Energy: 2.230822069644526
Energy: 2.289903416548758
Energy: 2.0549352019941898
Energy: 2.4467881683628048
Energy: 2.230533233065359
Energy: 2.0536581393100404
Energy: 2.230424595751819
Energy: 2.0544738679371597
Energy: 2.054441419958862
Energy: 2.2909481479845413
Energy: 2.2318855841066383
Energy: 2.1689740224371636
Energy: 2.231265843565998
Energy: 2.0538176876401133
Energy: 2.0538331120159086
Energy: 2.2893245507302002
Energy: 2.054078200281903
Energy: 2.0690251679371405
Energy: 2.1716851214040536
Energy: 2.289504433144291
Energy: 2.0309446932690665
Energy: 2.131399831844671
Energy: 2.422155665682972
Energy: 2.158519639966554
Energy: 2.1319840070878544
Energy: 2.1308640687355562
Energy: 2.0544036012362503
Energy: 2.0497277559551748
Energy: 2.461439896715538
Energy: 2.0438807720508136
Energy: 2.461312589248309
Energy: 2.058001793559367
Energy: 2.15392365359975
Energy: 2.0440657739712824
Energy: 2.053469225508386
Energy: 2.1594277040728924
Energy: 2.04114216056644
Energy: 2.463597783391518
Energy: 2.1540043770394717
Energy: 2.3746373974049164
Energy: 2.041837598388726
Energy: 2.0405811800409097
Energy: 2.0329164899071923
Energy: 2.365884809119395
Energy: 2.050049578372268
Energy: 2.050430277554296
Energy: 2.3746695318524083
Energy: 2.168146479730499
Energy: 2.371888120745328
Energy: 2.0499346701239296
Energy: 2.0408930173019506
Energy: 2.050899069845896
Energy: 2.372409990035304
Energy: 2.047040644562145
Energy: 2.0549103894058787
Energy: 2.0412582561806283
Energy: 2.2812394458986787
Energy: 2.3763910872708895
Energy: 2.041842940326075
Energy: 2.0413405950612735
Energy: 2.0512860245024576
Energy: 2.5878097695166624

minimum gb energy = 2.023783247491819 eV
minimum distance =  2.42876248568929 Angstroms
sigma value = 33


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

Energy: 0.01956862909883683
Energy: 0.26323946993977687
Energy: 0.2629700231229312
Energy: 0.2631688747206535
Energy: 0.26310953180235797
Energy: 0.0201790745171861
Energy: 0.11660400372081986
Energy: 0.11583995657398584
Energy: 0.11626416934838898
Energy: 0.11785223850838575
Energy: 0.11579509567880009
Energy: 0.1157282917272204
Energy: 1.5414968336555528
Energy: 0.2631306622154831
Energy: 0.019658740453553196
Energy: 0.019849296039338375
Energy: 0.2646269805136847
Energy: 0.2629894737637648
Energy: 0.020363434777614514
Energy: 0.11583995657340176
Energy: 0.11626416934838898
Energy: 0.11785223850838575
Energy: 0.11579509567880009
Energy: 0.1157282917272204

minimum gb energy = 0.01956862909883683 eV
minimum distance =  2.69976326574478 Angstroms
sigma value = 1