Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
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=3.150153368711472
cohesive_energy=6.8105384573284145
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=[3.95090349237864e-21, 3.16369002502908e-20, 1.0797388771852798e-19, 2.3108994680499e-19, 3.69497179686348e-19, 4.95683009203554e-19, 6.0077618333415e-19, 6.865535159652419e-19, 7.572767969432699e-19, 8.16592580287218e-19, 8.669826376031519e-19, 9.100026824026858e-19, 9.466364511390958e-19, 9.775937080612439e-19, 1.0034784737601478e-18, 1.02486432747078e-18, 1.04231203101504e-18, 1.0563599157419519e-18, 1.06750625858469e-18, 1.076209282060578e-18, 1.082821465029096e-18, 1.087459766384526e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.0869999416905678e-18, 1.081334645112744e-18, 1.072679686935876e-18, 1.060669770887412e-18, 1.0448691049229039e-18, 1.02472013157372e-18, 9.99561151890018e-19, 9.685846688482618e-19, 9.307957307587379e-19, 8.849462420235598e-19, 8.29466069541408e-19, 7.6236370775622e-19, 6.810997067031059e-19, 5.824536913477259e-19, 4.623064655640659e-19, 3.15359631223488e-19, 1.3463763169688279e-19, -8.944920104089319e-20, -3.7107051714093597e-19, -7.32672170374932e-19, -1.2103659403319339e-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: -9.5367431640625e-07 eV

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

Energy: 0.017294408908281607
Energy: 0.23548227042180367
Energy: 0.23536328004874546
Energy: 0.23554789255616462
Energy: 0.23541094876799906
Energy: 0.017942887994128645
Energy: 0.23548028033098392
Energy: 1.584475320279978
Energy: 0.23559673713235998
Energy: 0.23529242803778036
Energy: 0.2353684959894263
Energy: 0.23557755077352519
Energy: 0.23536303130351685
Energy: 0.23552382283180542
Energy: 1.5766261236492338
Energy: 0.017949073500393885
Energy: 0.23556955149355135
Energy: 0.23551506735975816
Energy: 0.23555570183140345
Energy: 0.23529452681760488
Energy: 0.017949073406736703
Energy: 0.01752156571106569
Energy: 0.23551374808553396
Energy: 0.23544463342704158
Energy: 0.23541262542515398
Energy: 0.23535727552354485
Energy: 0.2355843656225424
Energy: 0.23551374808553396
Energy: 1.5875389085593195
Energy: 0.23547073879109243
Energy: 0.01794288799293556
Energy: 0.2355775507743512
Energy: 0.23551560859968537
Energy: 0.2354432649292431
Energy: 0.23547015359019788
Energy: 0.017367659229439048

minimum gb energy = 0.017294408908281607 eV
minimum distance =  2.72721816346547 Angstroms
sigma value = 1


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

Energy: 2.8125549421047134
Energy: 2.084754765331442
Energy: 1.9871272143035226
Energy: 1.9895402873765793
Energy: 2.0830962816742593
Energy: 2.1859727202506507
Energy: 2.067261897910943
Energy: 2.22923660037819
Energy: 2.0257805387920698
Energy: 1.9352488898049132
Energy: 2.0260813131171083
Energy: 2.25872455407786
Energy: 2.1002121131819638
Energy: 2.025875716161322
Energy: 2.2678034632225823
Energy: 1.9221981181565124
Energy: 2.025765429618497
Energy: 2.027183374372372
Energy: 1.9270657218012293
Energy: 2.0256568328519933
Energy: 2.2092238319481377
Energy: 2.2096074732749926
Energy: 2.025894304640969
Energy: 2.0280486320587308
Energy: 2.114087880417443
Energy: 2.0340622995258935
Energy: 2.034273045508654
Energy: 1.9383978172773866
Energy: 2.2720441192159995
Energy: 2.0357003732894907
Energy: 1.9260785416381117
Energy: 2.2052338768558544
Energy: 2.2072330715101907
Energy: 1.9349929332564428
Energy: 2.2063321157375353
Energy: 2.205403992583762
Energy: 1.9260714618001697
Energy: 2.20464387883048
Energy: 2.1615754673893126
Energy: 2.1610315278386234
Energy: 2.20463207463496
Energy: 2.2052961976353953
Energy: 2.1063730136019894
Energy: 2.1042154088125704
Energy: 1.9361142308171886
Energy: 2.093034501295047
Energy: 2.1756055346328838
Energy: 1.8917430224763137
Energy: 1.8387729232480294
Energy: 2.2045953100960105
Energy: 2.2112499112953627
Energy: 1.9376833310056167
Energy: 2.2097529710218318
Energy: 2.205196524499361
Energy: 1.8380077824169698
Energy: 2.2057682426191185
Energy: 2.208014348655588
Energy: 1.9377875376413864
Energy: 2.2059974774075766
Energy: 2.2251320431748716
Energy: 2.1042288655134973
Energy: 2.1046187014030604
Energy: 2.0352716927498626
Energy: 2.0947329724629182
Energy: 2.288913037121657
Energy: 1.9280332539818046
Energy: 1.9308966624441435
Energy: 2.0253027136643014
Energy: 2.1746668873943613
Energy: 2.0090251421992833
Energy: 2.0255711358097384
Energy: 1.9286367173084182
Energy: 1.936414384719039
Energy: 2.025524493270584
Energy: 2.1746130735134006
Energy: 2.009151828431951
Energy: 2.0255787621381196
Energy: 1.9347242113618695
Energy: 1.859796366012101
Energy: 2.0348462497194424
Energy: 2.034921277695981
Energy: 1.8618651229653356
Energy: 2.026943742277344
Energy: 2.034950505316706
Energy: 1.9231403707078054
Energy: 2.025700276977109
Energy: 2.0306940572728824
Energy: 1.9373953210081598
Energy: 2.025406746961741
Energy: 2.2086054594048834
Energy: 1.9280247177812662
Energy: 2.025868740692422
Energy: 2.0256651061674877
Energy: 1.930034128416992
Energy: 2.025584965539594
Energy: 2.257139100514961
Energy: 1.9365716516060618
Energy: 2.0263089807581034
Energy: 2.0721904719434456
Energy: 2.0772603804395695
Energy: 2.2111712985059366
Energy: 2.026842362001464
Energy: 1.934583924708529
Energy: 2.231174762157793
Energy: 2.2064663485420106
Energy: 2.2060000960667456
Energy: 2.2062702381953363
Energy: 2.1651611028371915
Energy: 1.9377763251506903
Energy: 2.1668471885463227
Energy: 2.3049617523314527
Energy: 1.9293526423652525
Energy: 2.2088190497771643
Energy: 2.168102864303624
Energy: 2.0934089761572015
Energy: 2.207723332895553
Energy: 1.89184022642332
Energy: 2.1049904455230837
Energy: 2.209328169606753
Energy: 2.205651890354924
Energy: 2.4230720283007594
Energy: 2.2082678557743405
Energy: 2.2253307402488582
Energy: 2.2266987488442957
Energy: 2.205000617880633
Energy: 2.2069454001186313
Energy: 2.101233721651186
Energy: 2.2053431429782107
Energy: 2.205322016052133
Energy: 1.841429106467158
Energy: 2.2049174797228304
Energy: 2.0271228058437183
Energy: 2.2848221693497575
Energy: 2.2289755640968854
Energy: 1.926881274643057
Energy: 1.9283169412089676
Energy: 2.0259549087850566
Energy: 2.2577731953821747

minimum gb energy = 1.8380077824169698 eV
minimum distance =  2.42458547415432 Angstroms
sigma value = 33


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

Energy: 3.863870348910915
Energy: 2.1553410454701822
Energy: 1.959474608772487
Energy: 2.0297584176625127
Energy: 2.1542744726162564
Energy: 2.3091180567551
Energy: 2.1973848542325367
Energy: 2.5500211713131287
Energy: 2.04986678719376
Energy: 2.0108218907485864
Energy: 2.0504591828714434
Energy: 2.2538275059854382
Energy: 2.181486806539897
Energy: 2.2424512211753997
Energy: 2.2426780795905747
Energy: 2.0821816528888295
Energy: 2.242532620908888
Energy: 2.243801347400703
Energy: 2.077595897125691
Energy: 2.222198755601834
Energy: 2.2426131542865946
Energy: 2.3107045184966926
Energy: 2.2426937386041685
Energy: 2.0978757880517973
Energy: 2.076977243246589
Energy: 2.0996741671019903
Energy: 2.0498656324645887
Energy: 2.297424184319515
Energy: 2.567320340229057
Energy: 2.099993871291361
Energy: 2.0030078761040238
Energy: 2.3620087504502534
Energy: 2.3419786975488917
Energy: 2.012358556944191
Energy: 2.34206756024229
Energy: 2.3640463841019597
Energy: 2.0037619835664326
Energy: 2.3654050541343956
Energy: 2.4079107249353466
Energy: 2.742906650544304
Energy: 2.3546583212332965
Energy: 2.365371529584403
Energy: 2.002583971026372
Energy: 2.0456675270463105
Energy: 2.433298836968982
Energy: 2.1748520307771506
Energy: 2.343374070611397
Energy: 2.0251156854644403
Energy: 2.092667496289275
Energy: 2.2365852665015087
Energy: 2.168868747870666
Energy: 2.0790719762138488
Energy: 2.236143826375758
Energy: 2.451644177831142
Energy: 2.0464038033579666
Energy: 2.236478568240971
Energy: 2.1914121545254672
Energy: 2.117118008369561
Energy: 2.2364473634528825
Energy: 2.269524789578824
Energy: 2.064093821107246
Energy: 2.0455140500281126
Energy: 2.2388298040518366
Energy: 2.2297362428420633
Energy: 2.2392288797270083
Energy: 2.0461346928090087
Energy: 2.0034361638029394
Energy: 2.044871374398842
Energy: 2.0454768853600567
Energy: 1.9619414605981076
Energy: 2.0446613164108616
Energy: 2.0260621954563125
Energy: 1.9675675529002898
Energy: 2.0023088984688298
Energy: 2.045569224281908
Energy: 1.961775689503907
Energy: 2.0450106274902633
Energy: 1.9660960705010557
Energy: 1.9674960659424565
Energy: 2.272260968044352
Energy: 2.2387502242267634
Energy: 2.229551155733611
Energy: 2.3206254739318166
Energy: 1.9671683628036067
Energy: 2.0723651422235614
Energy: 2.31799237864821
Energy: 2.300078691116572
Energy: 2.117125428135113
Energy: 2.318152108476947
Energy: 2.354585547215325
Energy: 2.012998115686162
Energy: 2.3180128004920695
Energy: 2.303685912416884
Energy: 2.2879779091128842
Energy: 2.317801520915625
Energy: 2.318827995405455
Energy: 2.0842816525197017
Energy: 2.1236510758087603
Energy: 2.3911765574628188
Energy: 2.063972417319076
Energy: 2.30810363198924
Energy: 2.1228189950120466
Energy: 1.9292799817272503
Energy: 2.3027766296523042
Energy: 2.3347958517428435
Energy: 2.45733604530564
Energy: 2.302582924450112
Energy: 2.3254647321576445
Energy: 1.9277615590788781
Energy: 2.3023471651423946
Energy: 2.302583015556549
Energy: 2.081865890813675
Energy: 2.303023563429642
Energy: 2.302339795923875
Energy: 2.011468510144427
Energy: 2.033095083637621
Energy: 2.1578158426580702
Energy: 2.3440853949936176
Energy: 2.775001423479639
Energy: 2.0378715204405147
Energy: 2.012076142653257
Energy: 2.155311271269403
Energy: 2.156036510297119
Energy: 2.298664963932453
Energy: 2.1543413494062307
Energy: 2.0121876185184457
Energy: 2.062548496850886
Energy: 2.1555832863349225
Energy: 2.155070325221722
Energy: 1.9915441495538293
Energy: 2.1553046364740354
Energy: 2.122571912251696
Energy: 2.396311251932445
Energy: 2.6707220331446337
Energy: 2.155111848121506
Energy: 2.083738839716087
Energy: 2.2163954113426723
Energy: 2.358621002433958
Energy: 3.559805052325067
Energy: 2.216320178596251
Energy: 2.112675200623156
Energy: 2.120601868208945
Energy: 2.218525868365729
Energy: 2.312571016970571
Energy: 2.39175707031193
Energy: 2.669730439857057
Energy: 2.1141880745237414
Energy: 2.013032702284774
Energy: 2.217178999379525
Energy: 2.237690281061558
Energy: 2.061884389552529
Energy: 2.358382201144973
Energy: 2.344236471441485
Energy: 1.9993328882529742
Energy: 2.3451091477925563
Energy: 2.1194343815665317
Energy: 2.7430976694405573
Energy: 2.3376058122340004
Energy: 2.3403884524807745
Energy: 2.370374936403611
Energy: 2.3420169884548976
Energy: 2.414376278460687
Energy: 2.0623498254105654
Energy: 2.422739457296128
Energy: 2.044850530669243
Energy: 1.998305324095437
Energy: 2.3331016149972332
Energy: 2.4361248615537776
Energy: 2.084541609964354
Energy: 2.1680987195167063
Energy: 2.4629158129404947
Energy: 2.1573184269249355
Energy: 2.236716238594025
Energy: 2.1399298221046523
Energy: 2.1260227569385823
Energy: 2.197307111760225
Energy: 2.269808198101569
Energy: 2.7776687234498696
Energy: 2.2367392419092935
Energy: 2.1990974349870136
Energy: 2.2710341313338787
Energy: 2.2383885114587647
Energy: 2.349727952391085
Energy: 2.0228832711502265
Energy: 2.4457301744899174
Energy: 2.197751040117909
Energy: 2.372054860457903
Energy: 2.0447562105968125
Energy: 2.0467329697890433
Energy: 1.9979213768876898
Energy: 2.044155629109686
Energy: 2.1982717007888537
Energy: 2.0685232244964955
Energy: 2.044790074864206
Energy: 2.0030295328693954
Energy: 1.9613731850126555
Energy: 2.003669643873665
Energy: 2.197527696016892
Energy: 2.4496768201401307
Energy: 2.2395377773801086
Energy: 1.9613209709996289
Energy: 1.96144566711062
Energy: 2.0054777972219293
Energy: 2.2396655339561162
Energy: 2.1230165261398035
Energy: 2.3318041353343477
Energy: 2.3248699980149117
Energy: 2.0729043493874926
Energy: 2.3255459377976515
Energy: 2.33149952805782
Energy: 2.392036497448948
Energy: 2.318423356850259
Energy: 2.324887516149984
Energy: 1.957363350123876
Energy: 2.3250561039069937
Energy: 2.295633227405351
Energy: 2.220457345585015
Energy: 2.4000100965989435
Energy: 1.9678094403155266
Energy: 1.9701580684692648
Energy: 2.4360834868349373
Energy: 2.219802967104146
Energy: 2.394641494770063
Energy: 2.3156572441483094
Energy: 2.3258247472367315
Energy: 1.9279074890946126
Energy: 2.325948851900068
Energy: 2.3226415969146847
Energy: 2.1335139330208497
Energy: 2.3402004455897925
Energy: 2.3261385069224696
Energy: 1.9295327051172138
Energy: 2.326417856291753
Energy: 2.305260726186866
Energy: 2.1847339748783616
Energy: 2.2429953674885605
Energy: 1.9579517520830687
Energy: 1.9572823183875814
Energy: 1.9579131465438806
Energy: 2.2502415251190904
Energy: 2.1411026275483263
Energy: 2.050716132575257
Energy: 1.957544922563374
Energy: 1.9587313727878863
Energy: 2.0501544492888906
Energy: 2.270662717218766

minimum gb energy = 1.9277615590788781 eV
minimum distance =  2.4159937018037 Angstroms
sigma value = 51


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

Energy: 3.466265996790927
Energy: 2.262136149259076
Energy: 2.262315121522796
Energy: 2.171214081533858
Energy: 2.261622841685243
Energy: 2.3640310342844058
Energy: 2.3569703784328007
Energy: 2.3771215919360698
Energy: 2.166471747559342
Energy: 2.2096243112818157
Energy: 2.1662227109441528
Energy: 2.1694023776719082
Energy: 2.0806931023484414
Energy: 2.1634417527068237
Energy: 2.1618114498421974
Energy: 2.377408704080063
Energy: 2.1585907718170843
Energy: 2.1692777055909462
Energy: 2.064450494992176
Energy: 2.1628003984412727
Energy: 2.160674274446161
Energy: 2.0695221406872304
Energy: 2.1591414134731233
Energy: 2.168154770018905
Energy: 2.0604408005104955
Energy: 2.1810278698808037
Energy: 2.5082595833499672
Energy: 2.2712487105006187
Energy: 2.4430204838707357
Energy: 2.181447994629806
Energy: 2.0838276357132854
Energy: 2.364275689908293
Energy: 2.508183336767689
Energy: 2.211025439594913
Energy: 2.3620140013931183
Energy: 2.3628494814082326
Energy: 2.083512318052043
Energy: 2.3630898798646527
Energy: 2.3982431484328726
Energy: 2.233412829958812
Energy: 2.362838840539972
Energy: 2.3626588553141974
Energy: 2.08090330175157
Energy: 2.50685776146525
Energy: 2.5855340057996012
Energy: 2.2699617735452957
Energy: 2.364165575997993
Energy: 2.509578814765394
Energy: 1.884371907408077
Energy: 2.5046290669560562
Energy: 2.2068177136940954
Energy: 2.0638665014334046
Energy: 2.166175387578174
Energy: 2.3440313901293366
Energy: 1.8827269476161124
Energy: 2.1635076786284477
Energy: 2.1677158641920946
Energy: 2.2073770749649517
Energy: 2.164064002618663
Energy: 2.3437922935007807
Energy: 2.3440729169576886
Energy: 2.507601416495977
Energy: 2.1667329850482546
Energy: 2.204719118223709
Energy: 2.5086285262403845
Energy: 2.1813774911782144
Energy: 2.079987102973353
Energy: 2.157463194941979
Energy: 2.1588030437294035
Energy: 2.362832894638922
Energy: 2.1567711280300723
Energy: 2.1630304931946482
Energy: 2.06264119229757
Energy: 2.1574421959321133
Energy: 2.159066896447915
Energy: 2.070272936434325
Energy: 2.1581599522890706
Energy: 2.1653786165140065
Energy: 2.060799875556813
Energy: 2.376993214500091
Energy: 2.5087530941116736
Energy: 2.270953913814504
Energy: 2.5086976881123237
Energy: 2.182753994970465
Energy: 2.0800000242895065
Energy: 2.3616674465166874
Energy: 2.3735866778485355
Energy: 2.2301105284189164
Energy: 2.3699489488014165
Energy: 2.3625189729634966
Energy: 2.07953807912232
Energy: 2.360858235096596
Energy: 2.459306345585571
Energy: 2.2262139402075736
Energy: 2.3635277510823194
Energy: 2.361653185565551
Energy: 2.377180273539262
Energy: 2.5070037251724733
Energy: 2.5593824778285854
Energy: 2.2139331721651603
Energy: 2.499118573125183
Energy: 2.5075997400888212
Energy: 1.8829541677901294
Energy: 2.1630897958066084
Energy: 2.06249072945075
Energy: 2.061940093222876
Energy: 2.1633476671457927
Energy: 2.3439801984752235

minimum gb energy = 1.8827269476161124 eV
minimum distance =  2.43461022876861 Angstroms
sigma value = 19


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

Energy: 3.181089675822398
Energy: 2.1785787640186185
Energy: 2.2189417854214146
Energy: 2.063773637814533
Energy: 2.180724860118318
Energy: 2.367552077776786
Energy: 2.328737225224454
Energy: 2.6023619021155304
Energy: 2.1786058795240293
Energy: 2.1882373754903512
Energy: 2.1789956495971294
Energy: 2.4610913847627693
Energy: 2.450632819395905
Energy: 2.42180388909241
Energy: 2.4203967314332693
Energy: 2.3279305355151
Energy: 2.42085003218676
Energy: 2.4510314526835217
Energy: 2.311514407150992
Energy: 2.424177528321856
Energy: 2.421498976027463
Energy: 2.322792157712972
Energy: 2.421454952918856
Energy: 2.385778543656797
Energy: 2.381255800127204
Energy: 2.3883944762524325
Energy: 2.369249648947397
Energy: 2.086979143727811
Energy: 2.6019000133323162
Energy: 2.3921178070040723
Energy: 2.3114195555716965
Energy: 2.4567397743501087
Energy: 2.4900875634799253
Energy: 2.0898298874763506
Energy: 2.42175898548048
Energy: 2.3873145135586897
Energy: 2.3125892881720578
Energy: 2.4471552307293734
Energy: 2.4983708044017985
Energy: 3.2110283906984582
Energy: 2.461753362940909
Energy: 2.4822423971031453
Energy: 2.4496844384093226
Energy: 2.4487054883535144
Energy: 2.178297927714301
Energy: 2.193226692787886
Energy: 2.421475125052199
Energy: 2.450078939806026
Energy: 2.0818037960007003
Energy: 2.177713045280849
Energy: 2.1771733628149503
Energy: 2.18823600751751
Energy: 2.1770663918181814
Energy: 2.42088881919832
Energy: 2.333110369280043
Energy: 2.177645868537709
Energy: 2.177827684760748
Energy: 2.062066885780093
Energy: 2.178224382127787
Energy: 2.4166562158200207
Energy: 2.2409790328661727
Energy: 2.4225426588846886
Energy: 2.1791281492879144
Energy: 2.0650082971500914
Energy: 2.17846537610121
Energy: 2.4487900091363235
Energy: 2.3302674690974166
Energy: 2.5288583507598146
Energy: 2.527803047508682
Energy: 2.4114889195191163
Energy: 2.487627419318285
Energy: 2.4492397544937217
Energy: 2.4585668172491433
Energy: 2.5692762498282504
Energy: 2.528501865150774
Energy: 2.481922946935467
Energy: 2.4883750751442224
Energy: 2.5210603786045165
Energy: 2.1842343648899716
Energy: 2.529571637442704
Energy: 2.5239084525754536
Energy: 2.340960646282427
Energy: 2.4242225172436562
Energy: 2.4111694213571844
Energy: 2.063803670542209
Energy: 2.1771619063052117
Energy: 2.499323089974303
Energy: 2.2192721265120086
Energy: 2.178653542910607
Energy: 2.063648530670133
Energy: 2.192992168403391
Energy: 2.178739800388742
Energy: 2.334736879309482
Energy: 1.9654242337522327
Energy: 2.177566193479348
Energy: 2.1775885020945633
Energy: 2.1938539234013694
Energy: 2.302801750567909
Energy: 2.423567951200334
Energy: 2.4392630297996876
Energy: 2.4203744140783443
Energy: 2.17857657136522
Energy: 2.370646264031563
Energy: 2.420920457469734
Energy: 2.4515543738873204
Energy: 2.4823831343666978
Energy: 2.4206801547321875
Energy: 2.42178628205427
Energy: 2.370335252905999
Energy: 2.4209735225946027
Energy: 2.4224512318132057
Energy: 2.3147722525384724
Energy: 2.4215652190319976
Energy: 2.4204866337787023
Energy: 2.206297371706416
Energy: 2.4699867299671814
Energy: 2.419234576009266
Energy: 2.3188326071792247
Energy: 2.5618088003630306
Energy: 2.1780649374565924
Energy: 2.19314056667908
Energy: 2.4208738474154865
Energy: 2.4309546857406383
Energy: 2.314666332762723
Energy: 2.4204320086784024
Energy: 2.6019382111601717
Energy: 2.194002007931424
Energy: 2.4206356975424055
Energy: 2.447857177868318
Energy: 2.481534096147204
Energy: 2.4508734744026954
Energy: 2.4825976940851238
Energy: 2.193600063076172
Energy: 2.178369353288538
Energy: 2.4529013487741897
Energy: 2.338636178365094
Energy: 2.4229420762879195
Energy: 2.1786688139860497
Energy: 2.1934258161979048
Energy: 2.176844971468971
Energy: 2.422108340789407
Energy: 2.082477151781771
Energy: 2.177271213729901
Energy: 2.1782920519263813
Energy: 2.0620644317315326
Energy: 2.1753970602688932
Energy: 2.177465919751468
Energy: 2.4504394428373115
Energy: 2.176366357339505
Energy: 2.176043434928442
Energy: 2.210095612504
Energy: 2.1785102993403944
Energy: 2.5618579041981113
Energy: 2.330547198403799
Energy: 2.423682483380074
Energy: 2.1854528154427735
Energy: 2.3791739854197993
Energy: 2.4881339608072817
Energy: 2.526397389328983
Energy: 2.4126300489730004
Energy: 2.5279366525816584
Energy: 2.532992764149073
Energy: 2.329471999380211
Energy: 2.528799288587148
Energy: 2.5273446160070123
Energy: 2.459160440224183
Energy: 2.531612752442532
Energy: 2.535150625851943
Energy: 2.26359944644688
Energy: 2.422733204124834
Energy: 2.063830398094785
Energy: 2.0625368819266967
Energy: 2.469682648861337
Energy: 2.307649880617407
Energy: 2.18849503232541
Energy: 2.1781459460120924
Energy: 2.0627613353850496
Energy: 2.065276087562182
Energy: 2.177093902759288
Energy: 2.3340840155285267

minimum gb energy = 1.9654242337522327 eV
minimum distance =  2.403411868841 Angstroms
sigma value = 27


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

Energy: 2.6135726578719702
Energy: 2.322089157386772
Energy: 2.24357157814813
Energy: 2.2433639394022054
Energy: 2.147071283438041
Energy: 2.6121494005803205
Energy: 1.8023355224056947
Energy: 2.4973936578069695
Energy: 2.2271492911118407
Energy: 1.8035350978602798
Energy: 2.14245522929743
Energy: 2.4965049363853264
Energy: 1.801607409833025
Energy: 2.1461659337403463
Energy: 2.144162019160955
Energy: 1.8050966275803024
Energy: 2.1442421608298994
Energy: 2.1440430396859194
Energy: 1.8009445997840245
Energy: 2.1586233042384735
Energy: 2.1592820552352734
Energy: 2.229628168173187
Energy: 2.1593145704533496
Energy: 2.145162220091838
Energy: 1.8039680127553472
Energy: 2.146095975970209
Energy: 2.383016913301791
Energy: 1.8014111709152911
Energy: 2.4965611642447674
Energy: 2.1475828317114347
Energy: 2.2089994702103377
Energy: 2.1473891340224274
Energy: 2.496194883796271
Energy: 2.228646100268029
Energy: 2.3834442116488823
Energy: 2.2429034870573212
Energy: 1.9045546970815797
Energy: 2.2439007702262113
Energy: 2.6674453161304372
Energy: 2.6158744312043436
Energy: 2.322801716314508
Energy: 2.242782003152686
Energy: 1.7991836886200396
Energy: 2.2273175808304195
Energy: 2.496541920481273
Energy: 1.802101301276107
Energy: 2.4961765815513917
Energy: 2.2273186741941666
Energy: 1.8017621733949503
Energy: 2.144747980424366
Energy: 2.143334912355446
Energy: 1.8027965157004038
Energy: 2.14391356423068
Energy: 2.1442543456831253
Energy: 2.096909527230949
Energy: 2.1593813952776184
Energy: 2.1608565571035934
Energy: 2.24202143618145
Energy: 2.1584272730705583
Energy: 2.144469104457519
Energy: 1.8008254005604223
Energy: 2.375943961895612
Energy: 2.146279435992464
Energy: 1.8036791457999508
Energy: 2.1462946529972062
Energy: 2.521957662518245
Energy: 1.8011119997997094
Energy: 2.496964097229367
Energy: 2.2475184773572536
Energy: 2.208958707510383
Energy: 2.1426441430607657
Energy: 2.4962648661061677

minimum gb energy = 1.7991836886200396 eV
minimum distance =  2.42391751254283 Angstroms
sigma value = 9


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

Energy: 3.7361514710865067
Energy: 2.105400476415327
Energy: 1.971969922316866
Energy: 1.973144094597946
Energy: 2.1049900747051136
Energy: 2.466332358438885
Energy: 2.2521750271865373
Energy: 2.1022665235856683
Energy: 2.101436414683468
Energy: 2.1159076326923056
Energy: 2.101115417598022
Energy: 2.4923493515303923
Energy: 2.260721778098606
Energy: 2.6489741863330605
Energy: 2.6825360348217133
Energy: 2.1132799253065904
Energy: 2.582119729896791
Energy: 2.377752665807429
Energy: 2.5363989251213406
Energy: 2.608156449471448
Energy: 2.661673707618338
Energy: 2.240170287545532
Energy: 2.5828272887623287
Energy: 2.3202883328483157
Energy: 2.1205056345990534
Energy: 2.605780172360867
Energy: 2.695551785794705
Energy: 2.254034711744083
Energy: 2.582006059891549
Energy: 2.34343722295668
Energy: 2.122741079552745
Energy: 2.1037804812642853
Energy: 2.6895985641131306
Energy: 2.252519138305479
Energy: 2.10249479074916
Energy: 2.101644270198194
Energy: 1.9704234088942432
Energy: 2.102702742282764
Energy: 2.383928986479872
Energy: 2.59374825419491
Energy: 2.102633151550077
Energy: 1.971789575323335
Energy: 1.9732817440782524
Energy: 2.1023987232511945
Energy: 2.690609788178365
Energy: 2.2528777982118897
Energy: 2.1024384299140295
Energy: 1.9712938866176717
Energy: 1.97170895940245
Energy: 2.525926220640028
Energy: 2.6084515944909574
Energy: 2.2545786127610494
Energy: 2.6939038758860328
Energy: 1.972415352220806
Energy: 2.395346419482955
Energy: 2.52598714005261
Energy: 2.5123676126687164
Energy: 2.5498675090656913
Energy: 2.5135342291957294
Energy: 1.9713415597720343
Energy: 2.1941412180613
Energy: 2.5418095370938483
Energy: 2.511088903902676
Energy: 2.3080425409075387
Energy: 2.5123863077911164
Energy: 2.262891783897084
Energy: 2.1933688941735747
Energy: 2.3641274239424512
Energy: 2.365703476574716
Energy: 2.2556367804399926
Energy: 2.362082721098147
Energy: 2.391438514035521
Energy: 2.105418574510984
Energy: 2.364422178766436
Energy: 2.244875930056261
Energy: 2.1147269380030806
Energy: 2.38680743097952
Energy: 2.5801796098305085
Energy: 2.1937017295916834
Energy: 2.3634176275372143
Energy: 2.244007617643431
Energy: 2.1422088050227583
Energy: 2.362175239307471
Energy: 2.7109747903714307
Energy: 2.195213669757157
Energy: 2.6095968437579824
Energy: 2.208656691368421
Energy: 2.1172565597581205
Energy: 2.35913027525668
Energy: 2.506719357296122
Energy: 2.2976253543493774
Energy: 2.3619316112748687
Energy: 2.209194456726055
Energy: 2.142336707847493
Energy: 2.3586039556014353
Energy: 2.4372404997655166
Energy: 2.1895823967226025
Energy: 2.3611786542998163
Energy: 2.4324731446033847
Energy: 2.2527701764764516
Energy: 2.3636905616085224
Energy: 2.4499925807459793
Energy: 2.191575813988121
Energy: 2.513611654915808
Energy: 2.4138189805676666
Energy: 2.260257496934531
Energy: 2.510991429698109
Energy: 2.0541392072995195
Energy: 1.9718520206086085
Energy: 2.5086323694729997
Energy: 2.5201378844757394
Energy: 2.1098862675299612
Energy: 2.510042026296897
Energy: 2.5001062125388454
Energy: 2.392476499644974
Energy: 2.5309787304735605
Energy: 2.5110225160954522
Energy: 2.2531174584175924
Energy: 2.5137597085359524
Energy: 2.4599687966821486
Energy: 1.9732327712479452
Energy: 1.9719848186030284
Energy: 2.6977718083972557
Energy: 2.27853385286254
Energy: 2.649134068526788
Energy: 1.972820753792722
Energy: 1.9736758131335062
Energy: 1.972039830721412
Energy: 2.2793117340262206
Energy: 2.8615959478861916
Energy: 2.1015419766163053
Energy: 1.9725307300359312
Energy: 2.109669672567317
Energy: 2.1006915645474726
Energy: 2.1023137899624587
Energy: 2.186760321605211
Energy: 2.1012238513167354
Energy: 2.10316332249105
Energy: 2.121763842955943
Energy: 2.6810407278754327
Energy: 2.6277267240079842
Energy: 2.2789643808021047
Energy: 2.607482627700723
Energy: 2.1026057197472428
Energy: 2.1236927674675985
Energy: 2.6025537489020705
Energy: 2.604134417583505
Energy: 2.1125099342386497
Energy: 2.5824992806168625
Energy: 2.6006054759603074
Energy: 2.1197682659253454
Energy: 2.6806286116351608
Energy: 2.597780493365567
Energy: 2.5355356981293613
Energy: 2.6028480141722548
Energy: 2.6791198133696503
Energy: 2.2502911572393196
Energy: 2.582957450045098
Energy: 2.1015782417968554
Energy: 2.1138383309230924
Energy: 2.1017912180497924
Energy: 2.3757947785515356
Energy: 2.2419416044758944
Energy: 2.1025336645793327
Energy: 2.1019046835368598
Energy: 2.1440509582676524
Energy: 2.101441602876098
Energy: 2.362202789800366
Energy: 2.18886534552557
Energy: 2.1025961287519173
Energy: 2.102634407079272
Energy: 1.9713268070667511
Energy: 2.102240846225512
Energy: 2.3680691621244057
Energy: 2.252929557052569
Energy: 2.694088895096112
Energy: 1.971832108294507
Energy: 1.9719017361747129
Energy: 2.524952197118074
Energy: 2.551852609217722
Energy: 2.3248810983857764
Energy: 2.510784616833992
Energy: 2.5194919979367514
Energy: 2.3917247337183465
Energy: 2.53673830729115
Energy: 2.511862937778347
Energy: 2.326262310809847
Energy: 2.515667805104339
Energy: 2.547361716135393
Energy: 2.038921263227769
Energy: 2.5449968780507857
Energy: 2.7453001024790296
Energy: 2.2621098219614666
Energy: 2.3615492554838666
Energy: 2.5081329858683468
Energy: 2.1947644611515456
Energy: 2.6128275632214812
Energy: 2.240307649225209
Energy: 2.279656206147276
Energy: 2.362412702200399
Energy: 2.3643801934976785
Energy: 2.6017553104278326
Energy: 2.3631332603603905
Energy: 2.1626565390312726
Energy: 2.137648444602174
Energy: 2.364419148934285
Energy: 2.3613679154183584
Energy: 2.2452691158409857
Energy: 2.3688268551586837
Energy: 2.2354782087734972
Energy: 2.1486306148334937
Energy: 2.1148527682866507
Energy: 2.4994516669439886
Energy: 2.193758364224559
Energy: 2.7208624225159186
Energy: 2.119610342196847
Energy: 2.1410747139109207
Energy: 2.361136475838385
Energy: 2.3614674695483253
Energy: 2.1897544810366774
Energy: 2.3613637354089256
Energy: 2.1393771292190364
Energy: 2.2760289963093183
Energy: 2.3620926386856462
Energy: 2.4380913565089304
Energy: 2.277798732499622
Energy: 2.3626804365092395
Energy: 2.2012355189039106
Energy: 2.2615892327555716
Energy: 2.3615475169698747
Energy: 2.5771527128663925
Energy: 2.193492661996853
Energy: 2.5777369784602477
Energy: 2.240044672285012
Energy: 2.1178104679930003
Energy: 2.5132036910003603
Energy: 2.585061627858735
Energy: 2.1774774089645517
Energy: 2.5134645529227813
Energy: 2.5121263766385007
Energy: 2.260859878570043
Energy: 2.511428069238775
Energy: 2.5325908219014046
Energy: 2.3889163090262695
Energy: 2.5192746616388755
Energy: 2.51122840360988
Energy: 2.254959515408316
Energy: 2.531129843407851
Energy: 1.9722724678402408
Energy: 1.9717963892076946
Energy: 2.402897823918588
Energy: 2.5094036030140576
Energy: 2.1866660518161414
Energy: 2.1022888796491754
Energy: 1.971737044842274
Energy: 1.9714004410813986
Energy: 2.1004529864466215
Energy: 2.712126717862542

minimum gb energy = 1.9704234088942432 eV
minimum distance =  2.39392532857758 Angstroms
sigma value = 57


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

Energy: 3.497497483071658
Energy: 2.154094087697347
Energy: 1.750288883820951
Energy: 1.7537831476037673
Energy: 1.7503475148327385
Energy: 2.544540277360399
Energy: 1.7494966352673837
Energy: 2.52157675258527
Energy: 1.7498602448768685
Energy: 1.7499510903177333
Energy: 2.152672498336001
Energy: 2.6916998994142958
Energy: 2.2215590070798625
Energy: 2.209788730748543
Energy: 2.5228376109527266
Energy: 1.7495698162960236
Energy: 2.5249862181531983
Energy: 2.15430262757264
Energy: 2.1635152085956677
Energy: 2.2068706493981605
Energy: 2.52343065259302
Energy: 2.2079176098445243
Energy: 2.518412161910518
Energy: 1.7470207600780483
Energy: 1.7464680289474788
Energy: 2.2066371113812626
Energy: 2.5155101356249396
Energy: 1.7522918962308542
Energy: 2.5184377478158635
Energy: 2.206965146329352
Energy: 1.7496278258283022
Energy: 2.1518869461905714
Energy: 2.5236641345426
Energy: 1.750337751015277
Energy: 2.152796023947986
Energy: 2.1529944183318226
Energy: 1.813129020581138
Energy: 2.181624867709472
Energy: 2.1824422182759236
Energy: 2.8015871419620804
Energy: 2.182136014729609
Energy: 1.8141286101222875
Energy: 1.9535125886498943
Energy: 2.151944357875084
Energy: 2.5217007492613477
Energy: 2.156021213988052
Energy: 2.1525773294367108
Energy: 2.156508181401887
Energy: 1.973062620210291
Energy: 1.8126189027510615
Energy: 2.5461966894027808
Energy: 1.749800061846963
Energy: 2.5221808983902347
Energy: 1.8131489256792384
Energy: 1.9693077567323896
Energy: 1.8129118442455334
Energy: 2.49156270291252
Energy: 2.4912919080150657
Energy: 2.153063370928085
Energy: 1.812986263991933
Energy: 2.22184511951767
Energy: 1.7501988156359656
Energy: 2.1533873682381546
Energy: 1.7473420333634317
Energy: 2.152630263971193
Energy: 1.750239384048102
Energy: 1.7493675007000349
Energy: 2.206960900989117
Energy: 2.2107473891255673
Energy: 1.749722020728606
Energy: 2.221587836472884
Energy: 2.3626916810687435
Energy: 1.750101539515855
Energy: 2.51812881043827
Energy: 2.206672271690961
Energy: 2.1539872173685453
Energy: 2.2069685205925293
Energy: 2.5171254946804025
Energy: 2.22763763168955
Energy: 2.5220575570568116
Energy: 2.2065053235397314
Energy: 2.132238033426149
Energy: 2.5225326604300844
Energy: 2.2078146917870742
Energy: 2.221420457288451
Energy: 2.517829362324824
Energy: 2.1532134959337057
Energy: 1.7496993011971385
Energy: 2.1531856307634616
Energy: 2.5172857045415515
Energy: 2.210357775024645
Energy: 2.153452832067099
Energy: 2.1821598137486276
Energy: 1.7497130720097103
Energy: 2.1818185521257445
Energy: 2.2051945333677265
Energy: 2.210142703440628
Energy: 2.152525553235729
Energy: 2.152090557959084
Energy: 1.9590616999318515
Energy: 2.151962844013682
Energy: 2.153195109443283
Energy: 2.2241344614470515
Energy: 2.5455849709914107
Energy: 1.8127759594820805
Energy: 1.8142587147686309
Energy: 2.1822263044797023
Energy: 2.517113460224116
Energy: 2.6698330777266777
Energy: 2.152873622119921
Energy: 1.9684779756398099
Energy: 1.9448515716386963
Energy: 2.151982527973866
Energy: 2.5169595898425143

minimum gb energy = 1.7464680289474788 eV
minimum distance =  2.37348056678246 Angstroms
sigma value = 11


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

Energy: 2.5747694216963217
Energy: 1.6936083187198345
Energy: 1.6936475687954242
Energy: 1.8900037338348479
Energy: 1.693452972402844
Energy: 1.6784525524882399
Energy: 2.719197272643495
Energy: 2.3275611975079764
Energy: 2.011255910751739
Energy: 2.0075058354902318
Energy: 2.116208469402619
Energy: 2.4343532718896967
Energy: 2.3597594973141995
Energy: 2.3834736567808408
Energy: 2.0977494702509647
Energy: 2.0064043276859618
Energy: 2.3752108104957212
Energy: 2.481717305709332
Energy: 2.347079717021175
Energy: 2.3735277895480347
Energy: 2.09972050842018
Energy: 2.0056478438456797
Energy: 2.37443605604042
Energy: 2.4648215981843857
Energy: 2.3465595499651566
Energy: 2.3726147998427307
Energy: 2.399796770112347
Energy: 2.356301880473277
Energy: 2.373635989581614
Energy: 2.4642666167791294
Energy: 2.3535737656867175
Energy: 2.499422750834456
Energy: 2.3766303450902213
Energy: 2.349242015333969
Energy: 2.3730181670042056
Energy: 2.414968651776496
Energy: 1.997225705685312
Energy: 2.1049028366208336
Energy: 2.3736355323716145
Energy: 2.0017090060040266
Energy: 2.38700199520469
Energy: 2.104692800975532
Energy: 1.8859263137980122
Energy: 2.3832302169094493
Energy: 2.400475128544255
Energy: 2.43605394505405
Energy: 2.3868432342798847
Energy: 2.2080812589179724
Energy: 2.0015703519411763
Energy: 1.992236246395558
Energy: 2.3882067378723644
Energy: 2.437151539586738
Energy: 2.095748028662233
Energy: 1.9944877321584282
Energy: 2.0084443278186104
Energy: 1.98997616050708
Energy: 1.9911253372580675
Energy: 2.415515731013207
Energy: 1.9897454029610013
Energy: 2.0036648273563413
Energy: 1.7786367399345269
Energy: 1.9898918119603426
Energy: 1.990280001412002
Energy: 2.353949598174794
Energy: 1.9900703071940937
Energy: 1.6943027603899714
Energy: 1.6924862857641305
Energy: 1.6937445509304137
Energy: 2.3758016732612193
Energy: 2.41576516711447
Energy: 2.324054637528056
Energy: 1.6930456017913622
Energy: 1.7745767876128875
Energy: 1.9892567140485986
Energy: 2.3728251383883836
Energy: 2.4431004075044958
Energy: 1.9891902443297824
Energy: 1.7734908090703874
Energy: 1.6569489399072375
Energy: 1.656602098750244
Energy: 2.2994524476275484
Energy: 2.342713385590233
Energy: 1.991644159327547
Energy: 1.6575228353282752
Energy: 2.010482542200891
Energy: 2.1253446952742028
Energy: 2.434625525691887
Energy: 2.4033486532918418
Energy: 2.373594724283592
Energy: 2.0046389561068176
Energy: 2.0094069555841148
Energy: 2.388552862225118
Energy: 2.404597418045084
Energy: 2.4145782533635436
Energy: 2.3835219083142216
Energy: 2.09850608230456
Energy: 2.0120115508046887
Energy: 2.40493092842037
Energy: 2.4659621966714793
Energy: 2.3487330211509763
Energy: 2.3718206373560067
Energy: 2.105413091291723
Energy: 2.347801043176538
Energy: 2.3738295570935906
Energy: 2.373156419130018
Energy: 2.347748970639012
Energy: 2.373528779780383
Energy: 2.403670389235399
Energy: 2.7175506398572837
Energy: 2.3732972953751506
Energy: 2.4286014581707733
Energy: 2.353573045346033
Energy: 2.497492034221667
Energy: 2.372941924787646
Energy: 2.001877181787575
Energy: 2.3721759977699772
Energy: 2.096407363299854
Energy: 1.993541060737247
Energy: 2.106603360600737
Energy: 2.3733474198723274
Energy: 2.7144634928029245
Energy: 2.382946786457388
Energy: 2.0958016749818347
Energy: 1.900325116238953
Energy: 2.37188846700156
Energy: 2.4003832165751464
Energy: 2.725172203025511
Energy: 2.0944362444527074
Energy: 1.9974556534861043
Energy: 2.001564304254593
Energy: 1.9915268109668713
Energy: 2.4447876552582626
Energy: 2.708383172934164
Energy: 1.9906882655856142
Energy: 1.9924849312598125
Energy: 1.6572725934019206
Energy: 1.992237008724893
Energy: 2.39593222848727
Energy: 2.708900714784883
Energy: 1.9900855757260234
Energy: 1.9944348783393113
Energy: 1.7721131594157775
Energy: 1.988948660886181
Energy: 1.992008100637009
Energy: 2.7169391132253766
Energy: 2.325290679037017
Energy: 1.6927588538045888
Energy: 1.69468832089054
Energy: 1.9949358730699314
Energy: 2.4351199751027583
Energy: 3.088003843552151
Energy: 1.9907542868344787
Energy: 1.694271728594781
Energy: 1.7779975153730965
Energy: 1.989298340880437
Energy: 2.3028938311541607

minimum gb energy = 1.656602098750244 eV
minimum distance =  2.3578570989299 Angstroms
sigma value = 41


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

Energy: 3.0031591786343075
Energy: 1.5947037436689981
Energy: 1.5940418979693096
Energy: 1.5942271458851585
Energy: 1.5947032142138315
Energy: 2.2633163733044395
Energy: 3.016642413999713
Energy: 1.950936160784149
Energy: 1.824219332070398
Energy: 1.8262245256093577
Energy: 1.9249683234322352
Energy: 2.2437105113037146
Energy: 2.7090286958225898
Energy: 2.179421779114798
Energy: 1.92509907131346
Energy: 1.82448798240484
Energy: 2.1598857806724765
Energy: 2.254551527776503
Energy: 2.6834428780542456
Energy: 2.165502365831471
Energy: 1.925051840880217
Energy: 1.8246285289488597
Energy: 1.9245197787263035
Energy: 2.2332343602064997
Energy: 2.699798875768629
Energy: 2.165524197272617
Energy: 2.2129461387822054
Energy: 2.193838029827283
Energy: 2.1654887207917004
Energy: 2.2326940895582594
Energy: 2.7087246582161226
Energy: 2.242419381543905
Energy: 2.2943568693579075
Energy: 2.190491021239534
Energy: 2.2487520580355977
Energy: 2.241846778894704
Energy: 2.4130897364720902
Energy: 2.247007274372385
Energy: 2.2417806734830816
Energy: 2.2483194229421426
Energy: 2.2508714610085354
Energy: 2.246818063741152
Energy: 2.0988021830827432
Energy: 2.249188553970514
Energy: 2.2687876306721506
Energy: 2.1926448269047243
Energy: 2.2517746152728892
Energy: 2.2220410049231933
Energy: 2.412306185587682
Energy: 2.269039637355649
Energy: 2.242810206693599
Energy: 2.2421743319197738
Energy: 2.2414839350668125
Energy: 2.1931655673052584
Energy: 2.0937579174058323
Energy: 2.19426352969582
Energy: 2.1665286123440777
Energy: 2.189152753315085
Energy: 2.1655266459249427
Energy: 2.1963478154025036
Energy: 1.8212203535129643
Energy: 1.9505198093519405
Energy: 2.166448485412829
Energy: 2.19038910211195
Energy: 2.165993193122524
Energy: 1.9254452274427947
Energy: 1.81355975311501
Energy: 1.9245737154204252
Energy: 2.2534626222314365
Energy: 2.251372945168001
Energy: 2.1740471902790435
Energy: 1.9264256791224657
Energy: 1.816674650108384
Energy: 1.8243040650260958
Energy: 1.8264205793976194
Energy: 2.2410504785687797
Energy: 1.8269300541468774
Energy: 1.8241363893955858
Energy: 1.5932421544404345
Energy: 1.594241892379236
Energy: 1.947681376540561
Energy: 1.9478119547988861
Energy: 1.6288558836446771
Energy: 1.59419793523758
Energy: 1.6337034560793933
Energy: 1.8251212333870472
Energy: 2.1658586121582397
Energy: 2.2538160532411395
Energy: 1.8264635284752875
Energy: 1.5935845927107197
Energy: 1.6344719668497227
Energy: 1.8256637912490532
Energy: 2.1664373781358943
Energy: 2.2539368112495217
Energy: 1.5945352808448723
Energy: 1.5939506716446672
Energy: 1.5933236241909048
Energy: 1.5944751847219378
Energy: 1.7137741835798774
Energy: 2.2341943768667587
Energy: 1.8216307786400598
Energy: 1.5941611148757657
Energy: 1.8259629805914008
Energy: 1.8271584709582285
Energy: 1.8279628258241531
Energy: 2.2324856892411042
Energy: 1.8269184825920781
Energy: 1.8249914598938894
Energy: 1.8271529216142686
Energy: 1.924607356589896
Energy: 2.244050667387598
Energy: 2.241551321922254
Energy: 1.9509718433435381
Energy: 1.9253037755771705
Energy: 1.8172613119455954
Energy: 2.160438617747548
Energy: 2.1659758237024787
Energy: 2.2316895049243204
Energy: 2.165814389896914
Energy: 1.925292394273245
Energy: 2.3970175206691557
Energy: 1.9507938004701397
Energy: 2.2312216736058352
Energy: 2.2328234538118052
Energy: 2.165357916570265
Energy: 2.1991288258664565
Energy: 2.406178784878918
Energy: 2.1696390746299454
Energy: 2.2427780084746938
Energy: 2.24173661886742
Energy: 2.242028442258557
Energy: 2.1662495850394365
Energy: 2.4134309477767824
Energy: 2.250514081069876
Energy: 2.2684609063770576
Energy: 2.1929126950827227
Energy: 2.2535109980049546
Energy: 2.2486235875698926
Energy: 2.406508504209442
Energy: 2.247299503356457
Energy: 2.2490062235519797
Energy: 2.0955257067065856
Energy: 2.241548918900583
Energy: 2.248080902778626
Energy: 2.708481464641806
Energy: 2.2418870636814674
Energy: 2.248119495515297
Energy: 2.1934754069583358
Energy: 2.248041955567276
Energy: 2.2422233870645027
Energy: 2.389019611393984
Energy: 2.1655608283784544
Energy: 2.1955241548980076
Energy: 2.1933651896549287
Energy: 2.1935491959839744
Energy: 2.1658540273105764
Energy: 2.384729725561786
Energy: 2.1656433497121332
Energy: 1.9244969152746052
Energy: 1.8259893738828827
Energy: 1.9513711238246434
Energy: 2.165881283149983
Energy: 3.0168480299277687
Energy: 2.173862307554489
Energy: 1.9246974744760172
Energy: 1.924607814609374
Energy: 2.165459165826738
Energy: 2.2541785443178886
Energy: 2.7305082195695016
Energy: 1.9511075203476014
Energy: 1.826338399459038
Energy: 1.8171690365510749
Energy: 1.8277069008551299
Energy: 2.2455810847063664
Energy: 2.6822414012016287
Energy: 1.6291649138179083
Energy: 1.5519304095500337
Energy: 1.551129125052026
Energy: 1.594307050176073
Energy: 1.9484505316801946
Energy: 2.7086789708522003
Energy: 1.8275801013885264
Energy: 1.825742919417798
Energy: 1.6294556627697376
Energy: 1.8260335609301384
Energy: 2.244689377945583
Energy: 3.0341889108962854
Energy: 2.1658004805019315
Energy: 1.5940184736925156
Energy: 1.5949056541465554
Energy: 1.5959782291574494
Energy: 2.2440059336670473
Energy: 2.6744308625735185
Energy: 1.8269638506398596
Energy: 1.5957478577599309
Energy: 1.5946943127473492
Energy: 1.825161203738883
Energy: 1.7212488117396123

minimum gb energy = 1.551129125052026 eV
minimum distance =  2.43097083513813 Angstroms
sigma value = 33


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

Energy: 2.8157722657185453
Energy: 1.4320381658300063
Energy: 1.4297979281409856
Energy: 1.6456983665390321
Energy: 1.4288296341554478
Energy: 1.9324231817235402
Energy: 3.117848952120658
Energy: 1.457860492309515
Energy: 1.59644538146699
Energy: 1.5963432482942317
Energy: 1.6674727001936027
Energy: 1.8720543489586283
Energy: 3.1103639648153507
Energy: 1.9482412883681341
Energy: 1.67051196074593
Energy: 1.5894160273495168
Energy: 1.6703369191697388
Energy: 1.942265485683518
Energy: 2.6215481440119888
Energy: 1.6655385175392439
Energy: 1.6681125173035052
Energy: 1.5943386334832608
Energy: 1.6707597446740898
Energy: 1.9298547386385858
Energy: 2.6211542066215716
Energy: 1.666810599655902
Energy: 1.8742313693269188
Energy: 1.870925522832408
Energy: 1.8691964695435046
Energy: 1.9299164271734137
Energy: 3.1114563712642482
Energy: 1.9610620933795986
Energy: 1.9520557946218597
Energy: 1.8705560122464546
Energy: 1.9525912585617757
Energy: 1.9607985997469355
Energy: 2.8795094283180456
Energy: 1.9613199618806119
Energy: 1.9519608332062444
Energy: 1.9494304184624447
Energy: 1.9609301086875273
Energy: 2.001931134124903
Energy: 2.1832279080273382
Energy: 1.9623379806940464
Energy: 1.973685454840161
Energy: 1.925464205931578
Energy: 1.9457881784864306
Energy: 1.9808603092255361
Energy: 2.8782768859817858
Energy: 1.9880173829516965
Energy: 1.9777082363494831
Energy: 1.9598457281533666
Energy: 1.9580124133295158
Energy: 1.9902080856448592
Energy: 2.6562154898953563
Energy: 1.982350197900325
Energy: 1.9830405672653488
Energy: 1.9969861903716757
Energy: 1.983956028968392
Energy: 1.9821477944590071
Energy: 2.1904044155949753
Energy: 1.9828073427087258
Energy: 1.9983854383142596
Energy: 2.010033614394101
Energy: 1.9869121174624245
Energy: 1.983604826030225
Energy: 2.1915549286143072
Energy: 1.9947980577227122
Energy: 1.9819147167823816
Energy: 1.9833666052932075
Energy: 1.9844393149223283
Energy: 1.995065634335736
Energy: 2.4265065800409427
Energy: 1.9586758497775516
Energy: 1.9609211214089275
Energy: 1.990428616608951
Energy: 1.9573066454369659
Energy: 1.9604224657269786
Energy: 1.9986257773040568
Energy: 1.9529808488388096
Energy: 1.959160061707281
Energy: 1.9955528192062653
Energy: 1.9595515264550607
Energy: 1.9507520397338787
Energy: 1.9921392093339616
Energy: 1.9449872346686752
Energy: 1.960710189901334
Energy: 1.9886338250518918
Energy: 1.9589268166695184
Energy: 1.9536062841448647
Energy: 1.9979853845907993
Energy: 1.932634248482066
Energy: 1.9656415440436559
Energy: 1.96841308089585
Energy: 1.9651934337017738
Energy: 1.8689054956220024
Energy: 1.9974413864443163
Energy: 1.8480890733039184
Energy: 1.9580073762616041
Energy: 1.9583926840946926
Energy: 1.6967262809385002
Energy: 1.871400641063289
Energy: 1.597350418080307
Energy: 1.6686878963257694
Energy: 1.669204608554104
Energy: 1.9892445196737563
Energy: 1.6667909888323713
Energy: 1.6692840403098599
Energy: 1.5920760017685733
Energy: 1.6679987849195852
Energy: 1.9421476260259933
Energy: 1.9594813930108719
Energy: 1.6964160830989645
Energy: 1.6703440389803719
Energy: 1.6010586171252754
Energy: 1.5968824808524602
Energy: 1.429646608072005
Energy: 1.719294311608434
Energy: 1.4305596307911557
Energy: 1.5980171946092419
Energy: 1.4262148402438426
Energy: 1.4275988782867044
Energy: 1.696240279367889
Energy: 1.9580818611475328
Energy: 1.430371912492529
Energy: 1.4315936787541683
Energy: 1.4560897958834647
Energy: 1.4296452244436384
Energy: 1.934380028133089
Energy: 1.9664191206601915
Energy: 1.4583452503072971
Energy: 1.4330739573281828
Energy: 1.4534228116279313
Energy: 1.4590597323958492
Energy: 1.9337589413561138
Energy: 1.9442215974907195
Energy: 1.4546422052896397
Energy: 1.453062908153626
Energy: 1.4292319322455311
Energy: 1.4280240951684104
Energy: 1.931541047452926
Energy: 1.931798768239036
Energy: 1.4286458855906787
Energy: 1.4326742610119172
Energy: 1.5979249055365154
Energy: 1.5967860607998703
Energy: 1.6674220777890603
Energy: 1.991794296773028
Energy: 1.4314017715249021
Energy: 1.598223062861628
Energy: 1.5961800302311653
Energy: 1.6695405522295086
Energy: 1.940315317022992
Energy: 1.9602028853733113
Energy: 1.934746425674941
Energy: 1.6703036469255348
Energy: 1.5945131738423828
Energy: 1.6712090850347356
Energy: 1.731833105869652
Energy: 1.9794350988306768
Energy: 1.6670618730386408
Energy: 1.6697677559645427
Energy: 1.9991281034044037
Energy: 1.8702555469036182
Energy: 1.9299649872787017
Energy: 2.0251646334842466
Energy: 1.6978074907525276
Energy: 1.876029186567399
Energy: 1.9817478617993725
Energy: 1.9507769718113115
Energy: 1.9504796375838562
Energy: 1.984610565776168
Energy: 1.9655675607488354
Energy: 1.92663093289677
Energy: 1.9886276679656087
Energy: 1.9664408521311125
Energy: 2.003102797003588
Energy: 1.9919609882565594
Energy: 1.9596040904998377
Energy: 1.949685207724039
Energy: 1.991751651166357
Energy: 1.9530570827075941
Energy: 1.9777082163043636
Energy: 1.9978213663165907
Energy: 1.9613041624296967
Energy: 1.9532140377765717
Energy: 2.426274413059861
Energy: 1.9631766816838776
Energy: 1.9897532711017363
Energy: 1.991528062247228
Energy: 1.9601253629136965
Energy: 1.9588256301075249
Energy: 2.423079851304269
Energy: 1.9822222955445856
Energy: 1.9821259062482168
Energy: 1.982308305289116
Energy: 1.9841685083835265
Energy: 1.995875569117181
Energy: 2.4239146656027017
Energy: 1.9869222994397544
Energy: 1.9839693855974794
Energy: 1.99221385177511
Energy: 1.985342043972015
Energy: 1.9960633776198569
Energy: 2.8890015175341457
Energy: 1.9830334862334873
Energy: 1.9836369036974633
Energy: 1.9917818634541018
Energy: 1.985780005727026
Energy: 1.9817478169769576
Energy: 2.8549864890235055
Energy: 1.9865136258975655
Energy: 1.9621585983622811
Energy: 1.9591273713478188
Energy: 1.9622243460904365
Energy: 1.9866864847591448
Energy: 2.404871447656835
Energy: 1.9615824767961159
Energy: 1.953744359211816
Energy: 1.8685058417671323
Energy: 1.949386029146462
Energy: 1.9942299981628961
Energy: 2.8843928229515865
Energy: 1.9595771621319067
Energy: 1.9550728125360897
Energy: 1.784969592294992
Energy: 1.957999381489864
Energy: 1.989216176801088
Energy: 3.1156673926303884
Energy: 1.9663427764741128
Energy: 1.9308456754378904
Energy: 1.8690750877672682
Energy: 1.9494398250996163
Energy: 1.9676167804086486
Energy: 2.8485322778480553
Energy: 1.6980878752395157
Energy: 1.8704609996797226
Energy: 1.8722472831916324
Energy: 1.8695754826528403
Energy: 1.959158777815214
Energy: 2.848855833542082
Energy: 1.6688163871735076
Energy: 1.670045713001176
Energy: 1.5959638271867904
Energy: 1.6665447373332252
Energy: 1.6683151486948764
Energy: 3.1138458713277544
Energy: 1.9475040860586048
Energy: 1.6681164543254658
Energy: 1.5945748371641204
Energy: 1.6969683671712448
Energy: 1.9628531233369109
Energy: 3.071840760931611
Energy: 1.4584652142224475
Energy: 1.5963631524783795
Energy: 1.5984678092715803
Energy: 1.6677448038629807
Energy: 1.4293144850013837
Energy: 2.8364187045505456
Energy: 1.4292187307443578
Energy: 1.427603557048293
Energy: 1.4300340520309662
Energy: 1.4280828504438818
Energy: 1.9465309749970163
Energy: 3.109750848887639
Energy: 1.4606183939463155
Energy: 1.4320969730475472
Energy: 1.4536972711918752
Energy: 1.4575374291157028
Energy: 1.9337425315444385
Energy: 3.1171097925745497
Energy: 1.668204083019
Energy: 1.4291314705980083
Energy: 1.4569294534179318
Energy: 1.43757918565958
Energy: 1.933286631157316
Energy: 3.0578245241299813
Energy: 1.431727779091914
Energy: 1.4272576216624957
Energy: 1.4270923327687695
Energy: 1.4276698483463781
Energy: 1.9285489731895822

minimum gb energy = 1.4262148402438426 eV
minimum distance =  2.43264687231941 Angstroms
sigma value = 67


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

Energy: 0.5118166077896953
Energy: 0.9532720320255773
Energy: 0.7091805251404749
Energy: 0.7090632524261605
Energy: 0.9554977258747562
Energy: 0.5123379689591195
Energy: 2.689749534431912
Energy: 0.7086576087046873
Energy: 0.7348612177298184
Energy: 0.7391699951497942
Energy: 0.7086656370170294
Energy: 0.7089599187783263
Energy: 2.6909574025231175
Energy: 0.7391916414441018
Energy: 0.7404557799524122
Energy: 0.7097298519402979
Energy: 0.7396024494034853
Energy: 0.7393089616294187
Energy: 0.5126181918814103
Energy: 0.7569768623019676
Energy: 0.7415787505717732
Energy: 0.7382856963833756
Energy: 0.7473030274537867
Energy: 0.5129889678280175
Energy: 0.5589300825766115
Energy: 0.7549209908427397
Energy: 0.7550891983679072
Energy: 0.7550803554935381
Energy: 0.755729542497364
Energy: 0.5589756651513484
Energy: 2.691629797916893
Energy: 0.7397052268455555
Energy: 0.7394185682434307
Energy: 0.7373582497825693
Energy: 0.7436756527761254
Energy: 0.7398283686463161
Energy: 0.5127352118918171
Energy: 0.7093127374758021
Energy: 0.7389940306237677
Energy: 0.7309582869189921
Energy: 0.7110576252510498
Energy: 0.7096619903280619

minimum gb energy = 0.5118166077896953 eV
minimum distance =  2.66573226905613 Angstroms
sigma value = 3


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

Energy: 3.1558212778426276
Energy: 1.59902384805505
Energy: 1.4343671896727903
Energy: 1.7357967744738239
Energy: 1.5991265721496297
Energy: 1.824994955249343
Energy: 3.01763020907486
Energy: 1.4460074995117647
Energy: 1.4292040158183261
Energy: 1.4449065293408918
Energy: 1.429729704972421
Energy: 1.8295897491129713
Energy: 3.0824150073741383
Energy: 1.5474371200915906
Energy: 1.4372891037369826
Energy: 1.4454693338597264
Energy: 1.4373582974572583
Energy: 1.8262978335944573
Energy: 3.257029629180825
Energy: 1.6060076984674003
Energy: 1.4344459907516842
Energy: 1.4370173278544098
Energy: 1.4291097969472268
Energy: 1.7971855165093424
Energy: 3.257438452926913
Energy: 1.621273085830328
Energy: 1.5949217432852987
Energy: 1.5866858562876842
Energy: 1.5950653948005789
Energy: 1.786032571311738
Energy: 2.991952963460496
Energy: 1.5488515882317682
Energy: 1.547186503088132
Energy: 1.6152127974820762
Energy: 1.5468282260757087
Energy: 1.5957696752832224
Energy: 3.02872804599774
Energy: 1.6619068936379735
Energy: 1.5942616241697878
Energy: 1.5927141819678134
Energy: 1.59488852512242
Energy: 1.8264174145226704
Energy: 2.867101602252932
Energy: 1.7979714483216886
Energy: 1.7980178485892409
Energy: 1.5744746661377669
Energy: 1.7973532986527936
Energy: 1.855958583536247
Energy: 3.0184522970100724
Energy: 1.8710209370255273
Energy: 1.6556729547612927
Energy: 1.8229757687405055
Energy: 1.8366855668884055
Energy: 1.8439588969931509
Energy: 2.9793096808190986
Energy: 1.884148554132572
Energy: 1.8021109554726646
Energy: 1.8785393888523914
Energy: 1.8383303437312133
Energy: 1.883819899221903
Energy: 2.841681123535719
Energy: 1.8749706572754687
Energy: 1.8744448515863605
Energy: 1.9978262243726497
Energy: 1.8778325603500534
Energy: 1.875192587919144
Energy: 2.8419055376049256
Energy: 1.874519253663675
Energy: 1.8776097394007618
Energy: 2.050612890861506
Energy: 1.8764951754657957
Energy: 1.876018514958394
Energy: 2.800077371826142
Energy: 1.8747662208106344
Energy: 1.8829725832858522
Energy: 1.8574684968216053
Energy: 1.883579812888432
Energy: 1.912487899875005
Energy: 2.8259698939726223
Energy: 1.9031921735166302
Energy: 1.8750929160845593
Energy: 1.8765965964606643
Energy: 1.9548544651712443
Energy: 1.9031687947571996
Energy: 2.432911799474925
Energy: 1.9043719959189551
Energy: 1.9363570261332976
Energy: 1.923183310940379
Energy: 1.9064062738111447
Energy: 1.9046743140175102
Energy: 2.3384284394508974
Energy: 1.9270715130934701
Energy: 1.9046623056526637
Energy: 1.9080222171726127
Energy: 1.90278238877726
Energy: 1.9050461341347729
Energy: 2.339921112099559
Energy: 1.885718400608512
Energy: 1.9034621612581955
Energy: 1.9369904320491964
Energy: 1.9064530697523248
Energy: 1.8794794850517034
Energy: 2.3397430184187904
Energy: 1.8945025088297218
Energy: 1.8914628111336316
Energy: 1.9908357631695204
Energy: 1.8877053531547086
Energy: 1.8242690041284402
Energy: 2.339691448930412
Energy: 1.8785799198275681
Energy: 1.8861765116312423
Energy: 1.890452030093489
Energy: 1.8854605694624091
Energy: 1.8793907283056785
Energy: 1.9573326240040994
Energy: 1.8116315202928424
Energy: 1.878384364100904
Energy: 1.8897181603872557
Energy: 1.8781716445140642
Energy: 1.7388996486120964
Energy: 1.9561855909777512
Energy: 1.7457491244211227
Energy: 1.9106958005091588
Energy: 1.9063814630617664
Energy: 1.7456102069861095
Energy: 1.7466165405971614
Energy: 1.956666039836693
Energy: 1.7559070166792354
Energy: 1.7585723061621275
Energy: 1.9569179997672892
Energy: 1.7550036184687952
Energy: 1.7653876475268488
Energy: 1.6771636784755932
Energy: 1.746020589918486
Energy: 1.8417967583934205
Energy: 1.9047396127701954
Energy: 1.7410628303174331
Energy: 1.7555383828151
Energy: 1.6647277774472224
Energy: 1.713005500715535
Energy: 1.7569982491252545
Energy: 1.871983974556984
Energy: 1.7561889659209344
Energy: 1.675360488335009
Energy: 1.6640314677571146
Energy: 1.7270541273969733
Energy: 1.5517717254678478
Energy: 1.9011253960681482
Energy: 1.7267420304890135
Energy: 1.4252566014509307
Energy: 1.6727884955061403
Energy: 1.6665983610862816
Energy: 1.7818967659971066
Energy: 1.8350033398269183
Energy: 1.7473121522181456
Energy: 1.6670085826730783
Energy: 1.529349611625142
Energy: 1.5014944585166736
Energy: 1.758781749370633
Energy: 1.8357504222732348
Energy: 1.7573410124020072
Energy: 1.5012389909485953
Energy: 1.528594439145971
Energy: 1.532976076533402
Energy: 1.8056027055960162
Energy: 1.9045245009495868
Energy: 1.533458323209864
Energy: 1.4264641696298745
Energy: 1.5207359570398506
Energy: 1.5417425077129707
Energy: 1.5589561603262247
Energy: 1.894839415635217
Energy: 1.5578793147737184
Energy: 1.5279991584560477
Energy: 1.6505449644465573
Energy: 1.541615313446579
Energy: 1.7727831752414112
Energy: 1.8565125564680238
Energy: 1.5249993975004787
Energy: 1.54198415852391
Energy: 1.645374693231074
Energy: 1.5618200211394673
Energy: 1.7812646166638944
Energy: 1.8896269892580901
Energy: 1.5624426798615874
Energy: 1.5614644716885593
Energy: 1.606671979656128
Energy: 1.5412385249650535
Energy: 1.5832124422831158
Energy: 1.9026657571312282
Energy: 1.5429145602644094
Energy: 1.5416791463633874
Energy: 1.640203356199516
Energy: 1.568021976869381
Energy: 1.801737625095395
Energy: 1.905172485338132
Energy: 1.8010981692191903
Energy: 1.5759398329492333
Energy: 1.93924655355429
Energy: 1.8014383773128433
Energy: 1.8336873564585094
Energy: 1.8590985907420337
Energy: 1.8328729765222005
Energy: 1.803975356391588
Energy: 1.938717132764131
Energy: 1.8373124027483496
Energy: 1.8508446912238667
Energy: 2.000949892493601
Energy: 1.8367124116073645
Energy: 1.5844795142127044
Energy: 1.9425628471572842
Energy: 1.8328026119364333
Energy: 1.8704578813781285
Energy: 1.8705877639404398
Energy: 1.8700996622696984
Energy: 1.8010014600979487
Energy: 2.2685179027840663
Energy: 1.873942800312585
Energy: 1.8702827346698112
Energy: 1.9057224572605809
Energy: 1.8697075423871627
Energy: 1.870127840471619
Energy: 2.2317387071725743
Energy: 1.86837921797893
Energy: 1.912002828511491
Energy: 1.9294881754041255
Energy: 1.9131049547466648
Energy: 1.8700221693085712
Energy: 2.372007575515602
Energy: 1.8698463472705582
Energy: 1.9093542950326254
Energy: 1.9110915701953306
Energy: 1.9415140978581846
Energy: 1.8713268706174437
Energy: 2.352142560387971
Energy: 1.9082298411408465
Energy: 1.909581217768886
Energy: 1.8897389953569177
Energy: 1.9120793699813516
Energy: 1.946032235456437
Energy: 2.6372210159072482
Energy: 1.9078931650471074
Energy: 1.907382093342304
Energy: 1.9081866867212112
Energy: 1.9096865393358677
Energy: 1.907826826015102
Energy: 2.6376637702340133
Energy: 1.907792842623784
Energy: 1.924089738517121
Energy: 1.9677349010666396
Energy: 1.9115662163606053
Energy: 1.9080373865660334
Energy: 2.759947906464098
Energy: 1.89069276291067
Energy: 1.8773385970129737
Energy: 1.9676885975600495
Energy: 1.8935106709381935
Energy: 1.9105544344099354
Energy: 2.7609687736111908
Energy: 1.8771661253049163
Energy: 1.884005686722419
Energy: 1.8771254288777441
Energy: 1.8871150227224611
Energy: 1.9158643567807363
Energy: 2.7204974128072195
Energy: 1.8770565819151752
Energy: 1.8801842392336257
Energy: 1.8012610506257918
Energy: 1.876785039905769
Energy: 1.9192447915345243
Energy: 3.0168000381869895
Energy: 1.8794863338736225
Energy: 1.8160838082771524
Energy: 1.8052748771572762
Energy: 1.8069691844003217
Energy: 1.8773316129422661
Energy: 3.0166379573973248
Energy: 1.7523728559433225
Energy: 1.75188429410089
Energy: 1.813276138778209
Energy: 1.7502897731401763
Energy: 1.7389256926602774
Energy: 3.04785710783157
Energy: 1.8089250965873285
Energy: 1.803239418173734
Energy: 1.8040043443141136
Energy: 1.7979339923256226
Energy: 1.8284948434130943
Energy: 3.048369642225035
Energy: 1.8090734816575917
Energy: 1.611715126713271
Energy: 1.5915506298527484
Energy: 1.6426972363398185
Energy: 1.818057603138131
Energy: 3.081390712589902
Energy: 1.7329984797600395
Energy: 1.5957600516033625
Energy: 1.586785854050544
Energy: 1.6138358473388283
Energy: 1.7663764407216043
Energy: 3.0162349005103355
Energy: 1.6367364052734594
Energy: 1.442342666266987
Energy: 1.5868991539019839
Energy: 1.6362975757103329
Energy: 1.647050533399859

minimum gb energy = 1.4252566014509307 eV
minimum distance =  2.40899447959764 Angstroms
sigma value = 81


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

Energy: 3.2685924806897466
Energy: 1.8167029920782334
Energy: 1.5913996108753088
Energy: 1.5956205966172392
Energy: 1.816239562441281
Energy: 2.1378515649801284
Energy: 2.663206644089217
Energy: 1.5707155772736405
Energy: 1.570825790630371
Energy: 1.587235035892001
Energy: 1.5703136655112768
Energy: 2.0963116684745273
Energy: 2.963245597535448
Energy: 1.8331901179705017
Energy: 1.5834611632324889
Energy: 1.5835055826392197
Energy: 1.5837632906246273
Energy: 2.0793606298699463
Energy: 3.174993402328937
Energy: 1.8314109127736895
Energy: 1.5712066269384564
Energy: 1.5723064414271044
Energy: 1.5704747582755336
Energy: 2.0729381262664965
Energy: 2.870292632566328
Energy: 1.8322422266328329
Energy: 1.8033601882861954
Energy: 1.7982830146891196
Energy: 1.8315353177242468
Energy: 2.073326085682881
Energy: 2.963857429394561
Energy: 1.8324863184664744
Energy: 1.8331723192131089
Energy: 1.8238851456452572
Energy: 1.8328533891971224
Energy: 2.079953494414701
Energy: 2.664922641081015
Energy: 2.0762604998305223
Energy: 1.8218801180223068
Energy: 1.8231645777910561
Energy: 1.8226908282604206
Energy: 2.0987617452059064
Energy: 2.8710565750743053
Energy: 2.0739112377054476
Energy: 2.074386996439619
Energy: 1.7872938165308607
Energy: 2.0742729269773985
Energy: 2.1344565923537773
Energy: 2.662591231093904
Energy: 2.1343952476384485
Energy: 1.864612003304432
Energy: 2.06908246594731
Energy: 2.0987714863243743
Energy: 2.09559191067845
Energy: 2.6112013382524233
Energy: 2.1270347243515615
Energy: 2.0745022848780037
Energy: 2.09793327931641
Energy: 2.1402123631762517
Energy: 2.151194214292264
Energy: 2.301546054961925
Energy: 2.128267395960793
Energy: 2.161463944064867
Energy: 2.099012202352488
Energy: 2.1638128484156267
Energy: 2.1260400112987394
Energy: 2.699134239540935
Energy: 2.1277357152648477
Energy: 2.161569590579696
Energy: 2.1164097175645793
Energy: 2.161495847642729
Energy: 2.1278229002835385
Energy: 2.306024954628242
Energy: 2.130279956297607
Energy: 2.1256020281202277
Energy: 2.1140602256413135
Energy: 2.1277292133041206
Energy: 2.096305956867356
Energy: 2.3057426160821866
Energy: 2.0964561937842197
Energy: 2.127752890766472
Energy: 2.189950017255799
Energy: 2.0969798416086043
Energy: 2.075269894891175
Energy: 2.30542294816127
Energy: 2.0964757863997874
Energy: 2.133632297336829
Energy: 2.190642309679253
Energy: 2.0960851559484337
Energy: 2.097009119051808
Energy: 1.787439718322653
Energy: 2.074786421316405
Energy: 2.1171311466703986
Energy: 2.112699694352868
Energy: 2.07395802130097
Energy: 2.0741562483108082
Energy: 1.788007469081869
Energy: 1.822170963588786
Energy: 2.0969613904300783
Energy: 2.2629835789442905
Energy: 2.0967661558126083
Energy: 1.7942879270578544
Energy: 1.7976943063151838
Energy: 1.831401207622205
Energy: 2.0792840978880403
Energy: 2.1506869211148913
Energy: 1.8320577567430127
Energy: 1.5646484925125497
Energy: 1.7988721366801155
Energy: 1.7933178187409162
Energy: 2.068012124668283
Energy: 2.11439085821906
Energy: 1.8234578427582047
Energy: 1.7937067984955262
Energy: 1.592255600590593
Energy: 1.56431303582439
Energy: 2.0678720161542525
Energy: 2.1149958084823344
Energy: 1.793846517493274
Energy: 1.563524408424215
Energy: 1.6033560000739935
Energy: 1.603812257462541
Energy: 2.0810128108324264
Energy: 2.244964676090115
Energy: 1.6046969909823718
Energy: 1.5903436906651682
Energy: 1.5737161390932877
Energy: 1.5721384581977804
Energy: 1.8330893920838487
Energy: 2.149253934889629
Energy: 1.5710966617025517
Energy: 1.571961790400794
Energy: 1.5896378265366329
Energy: 1.814037155280809
Energy: 2.0874391939423598
Energy: 2.1553245646692307
Energy: 1.798525271237834
Energy: 1.5909165862862948
Energy: 1.7986529048716005
Energy: 1.8331163291219519
Energy: 1.8317347991601767
Energy: 2.1494652363077917
Energy: 1.832195643811045
Energy: 1.5877160917520776
Energy: 1.8024122229216464
Energy: 1.8310472016803176
Energy: 2.1388978565518566
Energy: 2.1269001882337455
Energy: 1.8315871595228634
Energy: 1.8033229008527367
Energy: 1.7897288286003017
Energy: 1.867617487244362
Energy: 2.0950958929700123
Energy: 2.1243364318768734
Energy: 2.0736121083211896
Energy: 1.8227769396255349
Energy: 2.3911832230504353
Energy: 2.076448662990623
Energy: 2.1383055124633445
Energy: 2.1246127466717692
Energy: 2.0952245567776617
Energy: 2.075735722565293
Energy: 2.020891641565501
Energy: 2.0951945118487165
Energy: 2.1389731376771848
Energy: 2.4173377316683795
Energy: 2.0967957097645704
Energy: 1.8647196649005326
Energy: 2.387843677479394
Energy: 2.0986499373614174
Energy: 2.1274208777283263
Energy: 2.1288637140146762
Energy: 2.159983977294582
Energy: 2.074283363033287
Energy: 2.304166624142618
Energy: 2.174215082519087
Energy: 2.1288753344800413
Energy: 2.1057145209391797
Energy: 2.1292681426970583
Energy: 2.1733854933200836
Energy: 2.585919491416015
Energy: 2.128135675929075
Energy: 2.128737930656605
Energy: 2.097846924563919
Energy: 2.12584530645001
Energy: 2.116266179929669
Energy: 2.612612060595156
Energy: 2.1281937608676738
Energy: 2.0974484400887214
Energy: 2.107134528014326
Energy: 2.1270605520639094
Energy: 2.1292615453977883
Energy: 2.610534683785539
Energy: 2.096690019091817
Energy: 2.0959526722417157
Energy: 2.1074526830072835
Energy: 2.095854008872046
Energy: 2.127972252192747
Energy: 2.890512114384802
Energy: 2.096276261780312
Energy: 2.0770190124167516
Energy: 2.098333655425197
Energy: 2.095654663120665
Energy: 2.115290607878326
Energy: 2.5811004227746137
Energy: 2.095554487009516
Energy: 1.8213968054127547
Energy: 1.7869537705509517
Energy: 1.8677536635793517
Energy: 2.1147055157944243
Energy: 2.6119535037746195
Energy: 2.1283227106547318
Energy: 1.793246913462141
Energy: 1.7860812300769922
Energy: 1.8220716420692176
Energy: 2.1589558193092104
Energy: 2.661316331478359
Energy: 1.8674368502986445
Energy: 1.5690101932699445
Energy: 1.8226809037213445
Energy: 1.833053855209863
Energy: 2.1340792802437316
Energy: 3.1549047086829947
Energy: 1.7940437027822933
Energy: 1.793190113335589
Energy: 1.5631764352978708
Energy: 1.7932807857430766
Energy: 2.1143171084003636

minimum gb energy = 1.5631764352978708 eV
minimum distance =  2.45488604024113 Angstroms
sigma value = 43


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

Energy: 3.042899234906438
Energy: 1.9644233108353835
Energy: 1.7066786913138108
Energy: 1.6876959256294577
Energy: 1.9650722697121807
Energy: 2.3366333344126016
Energy: 2.6212335149084662
Energy: 1.669928154072971
Energy: 1.6898924271634648
Energy: 1.687445739405128
Energy: 1.6702008331427844
Energy: 2.2849967816699106
Energy: 3.0108224539979513
Energy: 1.9909447223534773
Energy: 1.6902852845852876
Energy: 1.690662237216005
Energy: 1.6907620006652757
Energy: 2.2779039841915574
Energy: 2.989771651954814
Energy: 1.9875957163751223
Energy: 1.6712158415118212
Energy: 1.6710520410905838
Energy: 1.6709744515384004
Energy: 2.2674727339542637
Energy: 2.990903515134836
Energy: 1.9863744569390458
Energy: 1.9617665100506347
Energy: 1.986574009886694
Energy: 1.9901906107489993
Energy: 2.2672353296985186
Energy: 3.017008661228424
Energy: 1.9903246023142869
Energy: 1.991015242561249
Energy: 1.9862261973195239
Energy: 1.9912493228064456
Energy: 2.3537150714804955
Energy: 2.620529032742325
Energy: 2.2869344696610003
Energy: 1.9861599499864173
Energy: 1.9858662813998313
Energy: 1.985748460721312
Energy: 2.2879019504665274
Energy: 2.6082578520306385
Energy: 2.2830390510777505
Energy: 2.3139948719001673
Energy: 2.0212080826561767
Energy: 2.282895102605444
Energy: 2.3303276693290518
Energy: 2.621286991595959
Energy: 2.3689163154483603
Energy: 2.2871966907010908
Energy: 2.2917612900847746
Energy: 2.287817866358561
Energy: 2.287374821021349
Energy: 2.6224040042127337
Energy: 2.304649729651259
Energy: 2.28299166974616
Energy: 2.3379910149093837
Energy: 2.341874274663797
Energy: 2.2829330634296396
Energy: 2.6206884436974263
Energy: 2.2869458566231464
Energy: 2.315291432628002
Energy: 2.3423633327298186
Energy: 2.2874312106075343
Energy: 2.2879588882781836
Energy: 2.6201573793186568
Energy: 2.290951646294723
Energy: 2.286656444563342
Energy: 2.2865932540119474
Energy: 2.286488500558001
Energy: 2.271410538979865
Energy: 1.9548739796133243
Energy: 2.0390880741390216
Energy: 2.2867710676421797
Energy: 2.2872596526707607
Energy: 2.2871493895461
Energy: 1.9555715973520549
Energy: 1.9536393750998269
Energy: 1.9564382707411814
Energy: 2.3496797600622696
Energy: 2.3308211664976115
Energy: 1.986275101687692
Energy: 1.9548222322146822
Energy: 1.96342023784451
Energy: 1.9906605202867875
Energy: 2.2776217705020847
Energy: 2.3312596795625917
Energy: 1.9915009364766594
Energy: 1.9564988637632486
Energy: 1.6581533745177288
Energy: 1.9554160880473215
Energy: 2.2208947895670224
Energy: 2.282579144365721
Energy: 1.9559119764545991
Energy: 1.685605534951471
Energy: 1.6894904443609984
Energy: 1.6699455781528045
Energy: 1.9903269962763963
Energy: 2.419591780502623
Energy: 1.672780864633217
Energy: 1.670009039912691
Energy: 1.6903908150447806
Energy: 1.6914289199157013
Energy: 1.9905511123804225
Energy: 2.417960210479203
Energy: 1.6917174204297951
Energy: 1.6907554760388532
Energy: 1.6724154889128737
Energy: 1.6707444121530315
Energy: 1.9863730705254121
Energy: 2.2843597192981004
Energy: 1.990171437133403
Energy: 1.6699940017125339
Energy: 1.9638253198171172
Energy: 1.9617101823953633
Energy: 1.9863506575238443
Energy: 2.2841360672909676
Energy: 1.989774289975669
Energy: 1.961827149176694
Energy: 1.9640112885653973
Energy: 1.9916955150758795
Energy: 1.990965535565388
Energy: 2.3308542618808756
Energy: 1.9910102309519033
Energy: 1.9911003462967303
Energy: 1.9661536990403876
Energy: 1.9866275159961335
Energy: 2.2875996646738934
Energy: 2.3244535504014654
Energy: 2.031619876496796
Energy: 1.9558541697928329
Energy: 2.0223701210911575
Energy: 2.0391698281498694
Energy: 2.3138185957740585
Energy: 2.3174585317714826
Energy: 2.3124969844309646
Energy: 2.0382380754048497
Energy: 2.2515861733788642
Energy: 2.287116671220238
Energy: 2.287203146294751
Energy: 2.3779890578947245
Energy: 2.3361345812883503
Energy: 2.271970986656465
Energy: 2.2999571073930647
Energy: 2.2857845415299334
Energy: 2.2898602091385025
Energy: 2.329731296777799
Energy: 2.315905644289639
Energy: 2.2714845764149043
Energy: 2.3012234131573535
Energy: 2.3152400583324813
Energy: 2.286750411508619
Energy: 2.320272681564463
Energy: 2.286480502634962
Energy: 2.28125740469766
Energy: 2.976917007759935
Energy: 2.2866885513559785
Energy: 2.271944798509639
Energy: 2.321423664872994
Energy: 2.287743718308838
Energy: 2.2876724027204176
Energy: 2.978809646683536
Energy: 2.2870017180743676
Energy: 1.9875100340183782
Energy: 1.9558863675240226
Energy: 2.0391684471573015
Energy: 2.2995448678157073
Energy: 2.6193264144885706
Energy: 2.297596059726064
Energy: 1.9545403474311507
Energy: 1.9542738654548442
Energy: 1.9857811945089556
Energy: 2.3496861014272143
Energy: 2.620859646164553
Energy: 1.9871305176667813
Energy: 1.985823763163092
Energy: 1.9856832743353037
Energy: 1.9560725493436302
Energy: 2.2773766390280223
Energy: 2.9626684837168122
Energy: 1.9558932300045666
Energy: 1.9551057679213155
Energy: 1.686250949179626
Energy: 1.9545883679653078
Energy: 2.221191387517359

minimum gb energy = 1.6581533745177288 eV
minimum distance =  2.42642850298617 Angstroms
sigma value = 57


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

Energy: 2.7275287605900322
Energy: 2.2088787011912734
Energy: 1.8537357482321626
Energy: 1.8189696748280186
Energy: 2.2068524769531566
Energy: 2.529391597395453
Energy: 2.6746058600399576
Energy: 1.804336155833824
Energy: 1.819990824990718
Energy: 1.8219207857399102
Energy: 1.8042839081993036
Energy: 2.549523079011508
Energy: 2.6740169655383346
Energy: 2.2362684952398024
Energy: 1.8280576786396465
Energy: 1.8285729660883703
Energy: 1.828087158268403
Energy: 2.202088156770371
Energy: 3.098232065832889
Energy: 2.2130980327557364
Energy: 1.8047096860944778
Energy: 1.8037983804744784
Energy: 1.8051887860927822
Energy: 2.5255679455351268
Energy: 3.097894847658543
Energy: 2.201109422359409
Energy: 2.209505925991258
Energy: 2.2103885717735365
Energy: 2.178630371986192
Energy: 2.524731478011905
Energy: 2.6780506104395787
Energy: 2.2018177949557365
Energy: 2.2012842125205734
Energy: 2.2202733636794925
Energy: 2.2014963370435052
Energy: 2.562820001308053
Energy: 2.6748229350115142
Energy: 2.5502970326475163
Energy: 2.217665304720831
Energy: 2.2209030700748866
Energy: 2.2026437994432806
Energy: 2.5423654044665254
Energy: 2.2098367135498322
Energy: 2.5374490534645973
Energy: 2.570031644319098
Energy: 1.8058715249355672
Energy: 2.5464935705625904
Energy: 2.5496019767367115
Energy: 2.2198110978685723
Energy: 2.5428351840330463
Energy: 2.538293317305871
Energy: 2.631574498861577
Energy: 2.542107283230149
Energy: 2.5700934861202858
Energy: 2.2210482476199567
Energy: 2.212777892207831
Energy: 2.5420703285939017
Energy: 2.631127394397882
Energy: 2.5513408922254426
Energy: 2.1846870119118007
Energy: 2.2155323578699795
Energy: 2.2010947506148297
Energy: 2.5445724306385844
Energy: 2.7035930430176744
Energy: 2.2126317415965158
Energy: 2.202791307582609
Energy: 2.2198480338880118
Energy: 2.184515649691598
Energy: 2.2124635855112404
Energy: 2.599069249730631
Energy: 2.2117011347391102
Energy: 2.1892615498575396
Energy: 1.8173992219662565
Energy: 1.8177857776845938
Energy: 2.514991020156216
Energy: 2.540147203641808
Energy: 2.184611342567288
Energy: 1.8177237045060002
Energy: 1.8146221666466436
Energy: 1.8038687172140406
Energy: 2.5511418148597254
Energy: 2.705581996839473
Energy: 1.8388597545167795
Energy: 1.8048108566182752
Energy: 1.803878895942169
Energy: 1.8040012405198635
Energy: 2.2024872712238865
Energy: 2.7039020772006803
Energy: 1.804281905721932
Energy: 1.8035376905586304
Energy: 1.804163891188924
Energy: 1.8070174408246653
Energy: 2.531177115732636
Energy: 2.5305422510678905
Energy: 2.178979884616634
Energy: 1.8044154075233017
Energy: 2.2153069096883913
Energy: 2.200730735747141
Energy: 2.2018369998148777
Energy: 2.7029909466797593
Energy: 2.201862305902811
Energy: 2.2021432041935043
Energy: 2.215573753117176
Energy: 2.200706456867638
Energy: 2.2478664946887945
Energy: 2.2209421271242746
Energy: 2.201274204816187
Energy: 2.2009245580040835
Energy: 2.2164355753462583
Energy: 2.2488464411655658
Energy: 2.5497331492986772
Energy: 2.5486519768196776
Energy: 2.534906211519608
Energy: 2.1842507352254588
Energy: 2.674907416078882
Energy: 2.5420427070150846
Energy: 2.5497757536914496
Energy: 2.545428823613295
Energy: 2.5349007137275104
Energy: 2.5423320871358883
Energy: 2.630720002126841
Energy: 2.541821413117258
Energy: 2.2473003444885453
Energy: 2.220523553425858
Energy: 2.543669543055987
Energy: 2.538612217603796
Energy: 2.6748421892091034
Energy: 2.5424328240748912
Energy: 2.1847623495084214
Energy: 2.2202174186647365
Energy: 2.2120530457330254
Energy: 2.542384548927931
Energy: 2.6743452135535772
Energy: 2.2015207623260054
Energy: 2.2333801033526295
Energy: 2.2201922013300153
Energy: 2.2341362966299645
Energy: 2.544993576213741
Energy: 2.629645224619416
Energy: 2.1845346685000164
Energy: 2.1859341801409666
Energy: 1.846605265124254
Energy: 2.1847886129209737
Energy: 2.5390816882184297

minimum gb energy = 1.8035376905586304 eV
minimum distance =  2.41101904443446 Angstroms
sigma value = 17


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

Energy: 3.646328641480944
Energy: 2.475863116721935
Energy: 2.004978180367674
Energy: 2.378988230309116
Energy: 2.0739870902792417
Energy: 2.8679790668288825
Energy: 2.0294329394088697
Energy: 1.9714311899380925
Energy: 1.951329820814027
Energy: 1.9508504764697336
Energy: 1.9604624997140265
Energy: 2.4781634945526614
Energy: 2.0216790381690366
Energy: 1.9523909927590766
Energy: 1.952452036509605
Energy: 1.9492637552669443
Energy: 1.9483309915673541
Energy: 2.186345388612953
Energy: 2.6258590110831705
Energy: 2.4774378297584545
Energy: 1.953065235257998
Energy: 1.9819732084950274
Energy: 1.982658860771635
Energy: 2.4793999845595653
Energy: 2.6898985661795307
Energy: 2.4786728819948936
Energy: 2.451157200867283
Energy: 2.0045096761883547
Energy: 2.468085851527683
Energy: 2.4744807594734857
Energy: 2.0289416407770693
Energy: 2.181626901473611
Energy: 2.4993648841294385
Energy: 1.9347514554696557
Energy: 2.4751923704546837
Energy: 2.4898363657296647
Energy: 2.0286048860922086
Energy: 2.513207023433389
Energy: 2.445983249897139
Energy: 2.005576865887325
Energy: 2.1799686171332624
Energy: 2.4785930495994877
Energy: 2.0051235405904384
Energy: 2.4737231574160075
Energy: 2.4996819062543914
Energy: 2.030809268364915
Energy: 2.475311726242957
Energy: 2.4746478774835516
Energy: 2.029343967645797
Energy: 2.477085034086253
Energy: 2.8568655489315855
Energy: 2.854445470297011
Energy: 2.477282584119124
Energy: 2.4780100831457017
Energy: 2.0026785359970223
Energy: 1.9486456549887534
Energy: 2.47390256567065
Energy: 3.120467914794187
Energy: 1.98425728018231
Energy: 1.9844479434299698
Energy: 1.956087489793206
Energy: 1.9570416095933354
Energy: 2.497989477366328
Energy: 2.0226049542731155
Energy: 1.952608808768063
Energy: 1.952485876729459
Energy: 1.982708972419792
Energy: 1.9825658713888414
Energy: 2.4617906696045355
Energy: 2.661159429174606
Energy: 2.477375165412045
Energy: 1.9823981530920802
Energy: 2.0063738298134455
Energy: 2.446363665686276
Energy: 2.4783865856779976
Energy: 2.661537215407047
Energy: 2.4767252397510817
Energy: 2.005068593059137
Energy: 1.934646489844694
Energy: 2.5034837390472156
Energy: 2.174556546952816
Energy: 1.981161328289645
Energy: 2.498524842044048
Energy: 1.93567014389167
Energy: 2.004935935992938
Energy: 2.4740068520258465
Energy: 2.4799058145647916
Energy: 2.029853203783849
Energy: 2.2035073021576843
Energy: 2.4480013838746437
Energy: 2.0289817265904264
Energy: 2.1824175031410737
Energy: 2.501588129685731
Energy: 2.4456212396897197
Energy: 2.475341790708539
Energy: 2.030775814966982
Energy: 2.018123715117452
Energy: 2.4794544156093274
Energy: 2.479572121534336
Energy: 2.0291817931684606
Energy: 2.476871551818991
Energy: 2.853275773531744

minimum gb energy = 1.934646489844694 eV
minimum distance =  2.43989149446465 Angstroms
sigma value = 17


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

Energy: 2.68112724598101
Energy: 2.4441022742269043
Energy: 2.1499396263263844
Energy: 2.1501293574773603
Energy: 2.1507038813319665
Energy: 3.020859238928216
Energy: 2.0648939583961754
Energy: 2.077865274005473
Energy: 2.068902825405161
Energy: 2.0699186053869965
Energy: 2.069065508496519
Energy: 2.3883531941762564
Energy: 2.4236023317198994
Energy: 2.4147683778282016
Energy: 2.0646192076565026
Energy: 2.064217858333298
Energy: 2.0654578478649848
Energy: 2.446574949373608
Energy: 2.925604050415117
Energy: 2.776262764312913
Energy: 2.057846312784955
Energy: 2.06782495329094
Energy: 2.04900420417094
Energy: 2.911114663528717
Energy: 2.9334266999306835
Energy: 2.911345183779432
Energy: 2.789280695227658
Energy: 2.0811838512721756
Energy: 2.7867516615404377
Energy: 2.775455491645876
Energy: 2.0835018561685636
Energy: 2.0838379153182474
Energy: 2.9207864576945997
Energy: 2.565600457803274
Energy: 2.7776477194716294
Energy: 2.0827643593844787
Energy: 2.0680981322201077
Energy: 2.0665023141196737
Energy: 2.9307718276421757
Energy: 3.0043358923251433
Energy: 2.0655095860038997
Energy: 2.066248795084938
Energy: 2.0702864451764764
Energy: 2.069539768920389
Energy: 2.067779769048099
Energy: 2.067281097255888
Energy: 2.0668995313669827
Energy: 2.0701831631274006
Energy: 2.0954530661008786
Energy: 2.0955346442607286
Energy: 2.598959358001845
Energy: 2.413687444114458
Energy: 2.378965358388375
Energy: 2.095414645483758
Energy: 2.387907353355141
Energy: 2.066509216770788
Energy: 2.3879981858859893
Energy: 2.459406611913084
Energy: 2.3889633884164136
Energy: 2.3662460928980567
Energy: 2.390910302790986
Energy: 2.378987928401412
Energy: 2.7504818971290015
Energy: 2.0805861534877685
Energy: 2.3753289437820717
Energy: 2.3796927987323278
Energy: 2.3818459835373536
Energy: 2.3762357199649466
Energy: 2.7764916013139698
Energy: 2.7663849448065676
Energy: 2.714112376006359
Energy: 2.369798957352667
Energy: 2.2382601830279545
Energy: 2.7832765364487804
Energy: 2.7693652155879502
Energy: 2.5949611549763754
Energy: 2.7775747062150566
Energy: 2.816250610154612
Energy: 3.193972444681232
Energy: 2.6041173366300656
Energy: 2.082775292647355
Energy: 2.0617123697334057
Energy: 2.6037150075005804
Energy: 2.5633607166801906
Energy: 2.667033497210779
Energy: 2.0479651141760513
Energy: 2.025482992794731
Energy: 2.0356654450063494
Energy: 2.034940229157201
Energy: 2.7908937875036233
Energy: 2.212753038556822
Energy: 2.0151076658180798
Energy: 2.015000380444009
Energy: 2.0133089401237108
Energy: 2.0144936638187443
Energy: 2.856940593372639
Energy: 2.9249749584750644
Energy: 2.603238336006812
Energy: 2.0804201782657987
Energy: 2.063665854497701
Energy: 2.0586982751963605
Energy: 2.9256536027602826
Energy: 2.923845584166523
Energy: 2.60482857852105
Energy: 2.0585035998707326
Energy: 2.1056851133256584
Energy: 2.602984040658588
Energy: 2.9087143299416716
Energy: 2.404243731216592
Energy: 2.4665374360717127
Energy: 2.780515727778744
Energy: 2.6095924418909595
Energy: 2.7798490211939955
Energy: 2.366440200771662
Energy: 2.388415097256156
Energy: 2.3657645676419237
Energy: 2.767996702953617
Energy: 2.395292367054958
Energy: 2.7708284812259962
Energy: 2.3654181394009197
Energy: 2.387556002231544
Energy: 2.3766107526381965
Energy: 2.3771860294014706
Energy: 2.395337200161544
Energy: 2.370446616565659
Energy: 2.3806914613419328
Energy: 2.4298278495959966
Energy: 2.0789900734149946
Energy: 2.6231336084850523
Energy: 2.9001337215573795
Energy: 2.378696051237228
Energy: 2.0791722634660577
Energy: 2.0962144183096085
Energy: 2.0780168821670126
Energy: 2.3881738647982975
Energy: 2.321672211917699
Energy: 2.071297652121882
Energy: 2.0873560444533834
Energy: 2.059989969668247
Energy: 2.065658510511937
Energy: 2.3128261811377335
Energy: 2.0824706755350193
Energy: 2.063344410033596
Energy: 2.0655076560487187
Energy: 2.0673268657375066
Energy: 2.0685930219489292
Energy: 2.9303097856800115
Energy: 2.3520112953780603
Energy: 2.4709336029233837
Energy: 2.057471662332212
Energy: 2.081201070971908
Energy: 2.7873029546141144
Energy: 2.776551735821592
Energy: 2.593410453648707
Energy: 2.776615756206347
Energy: 2.0862869558667274
Energy: 3.1990538519412675
Energy: 2.7766056737144003
Energy: 2.7321591066821456
Energy: 2.0836540658639993
Energy: 2.7930377277341214
Energy: 2.9017431765111494
Energy: 3.1997513050489563
Energy: 2.7679602177673224
Energy: 2.0891369266120954
Energy: 2.06645114595627
Energy: 2.094980068380869
Energy: 2.7864129666622803
Energy: 2.0563189482532644
Energy: 2.0624489481890107
Energy: 2.061051681954119
Energy: 2.0627894620873297
Energy: 2.061311100649036
Energy: 2.8875040590821155
Energy: 2.9209228002585084
Energy: 2.389227925886981
Energy: 2.088371596102613
Energy: 2.095216542738682
Energy: 2.066924959469828
Energy: 2.784282841408339
Energy: 2.9231948715629072
Energy: 2.379496054486564
Energy: 2.0779138040613763
Energy: 2.4688068527924187
Energy: 2.3763085501376287
Energy: 2.7683981945936718
Energy: 2.3940949538975853
Energy: 2.3756155201217273
Energy: 2.3781233700455693
Energy: 2.3696944615490714
Energy: 2.3759103824414587
Energy: 2.7525322238164858
Energy: 2.9374106122898094
Energy: 2.7127795419042355
Energy: 2.3754019802532005
Energy: 2.3834539763836506
Energy: 2.375599901741189
Energy: 2.6115795958117904
Energy: 2.9306012361731852
Energy: 2.7787734649407243
Energy: 2.4988520277767403
Energy: 2.212800400804431
Energy: 2.778189566582385
Energy: 2.781560454981459
Energy: 2.434153776446322
Energy: 2.603720591942325
Energy: 2.9019735737619183
Energy: 2.5917471185651038
Energy: 2.6031194259437624
Energy: 2.323867385933382
Energy: 2.05597848269211
Energy: 2.0101895188569547
Energy: 2.774288830671034
Energy: 2.592480592525874
Energy: 2.3030003422378558
Energy: 2.049608764102088
Energy: 2.0095690111047007
Energy: 2.012128622789384
Energy: 2.011226971781661
Energy: 2.209606250476414
Energy: 2.011231151012138
Energy: 2.0125701279413546
Energy: 2.0231496046300053
Energy: 2.046908845262182
Energy: 2.7836179802657415
Energy: 2.3821038903839074
Energy: 2.061088136952739
Energy: 2.045726179032395
Energy: 2.080704521305864
Energy: 2.0560696227102295
Energy: 2.768213841304754
Energy: 2.925717032180686
Energy: 2.6045334958239885
Energy: 2.081410205282753
Energy: 2.657848252311035
Energy: 2.778572348317809
Energy: 2.7838874604498587
Energy: 2.396239253650034
Energy: 2.78162598614057
Energy: 2.7718064274277596
Energy: 2.9561492381393992
Energy: 2.768166890717003
Energy: 2.3611057857767546
Energy: 2.3906549637213548
Energy: 2.4724618433518226
Energy: 2.767919980484997
Energy: 2.4263255117952096
Energy: 2.375177587669687
Energy: 2.376608738040403
Energy: 2.3875952855957827
Energy: 2.3754558941081516
Energy: 2.6012164900940378
Energy: 2.647061062946876
Energy: 2.388682935620402
Energy: 2.3655236920317924
Energy: 2.389046200435494
Energy: 2.3757564950398904
Energy: 2.630647616364587

minimum gb energy = 2.0095690111047007 eV
minimum distance =  2.33238547145421 Angstroms
sigma value = 57


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

Energy: 2.892203355838765
Energy: 2.9307812656894514
Energy: 2.109432484000071
Energy: 2.116024884196186
Energy: 2.108775807825031
Energy: 2.845387304236264
Energy: 2.1438142079393563
Energy: 2.1196146907749704
Energy: 2.1225339224442905
Energy: 2.1085507969885797
Energy: 2.1225133968532113
Energy: 2.5689250624813247
Energy: 2.64933554682131
Energy: 2.491456170663403
Energy: 2.11696459862853
Energy: 2.1139894132325896
Energy: 2.1170302608977543
Energy: 2.5947952103579364
Energy: 2.8461096016968477
Energy: 2.901751663421037
Energy: 2.110443403567479
Energy: 2.1088060445241075
Energy: 2.112937325305962
Energy: 2.8982163904450147
Energy: 2.6505332256861225
Energy: 2.9005335244432215
Energy: 2.901565085925777
Energy: 2.8367964793780716
Energy: 2.9006655759326203
Energy: 2.9096783893043243
Energy: 2.1540367531739255
Energy: 2.1351773248327706
Energy: 2.9324983337451336
Energy: 2.845673871514632
Energy: 2.753895170590968
Energy: 2.153750880833039
Energy: 2.1506216054976037
Energy: 2.1399259254827485
Energy: 2.753128905099394
Energy: 2.8113797488068126
Energy: 2.1399522125039083
Energy: 2.139445322901202
Energy: 2.1375699695757353
Energy: 2.1369124171616716
Energy: 2.450266637079966
Energy: 2.099723415389959
Energy: 2.1369041066425987
Energy: 2.135510453234244
Energy: 2.150456009313114
Energy: 2.154412682678127
Energy: 2.954359561348429
Energy: 2.9793608623366925
Energy: 2.452670827362243
Energy: 2.1526531115399195
Energy: 2.163627149093528
Energy: 2.1522428936864695
Energy: 2.146916800969265
Energy: 2.4318125538793436
Energy: 2.4797090046176895
Energy: 2.1471601243955627
Energy: 2.388827052845865
Energy: 2.4552540206405165
Energy: 2.4599187944833925
Energy: 2.79847955350449
Energy: 2.5164790374239314
Energy: 2.5180010774660833
Energy: 2.159852253036147
Energy: 2.5150659742407493
Energy: 2.7214123784415327
Energy: 2.8005804390286944
Energy: 2.707804373239429
Energy: 2.149375366412819
Energy: 2.1611747891106297
Energy: 2.7077211248436934
Energy: 2.7062185026799677
Energy: 2.7186593277236404
Energy: 2.706400337365717
Energy: 2.827073851849479
Energy: 3.0579140945743757
Energy: 2.8579646812733692
Energy: 2.11094886435963
Energy: 2.3410529472830715
Energy: 2.7217530631113696
Energy: 2.8575991720559357
Energy: 2.1713219314022534
Energy: 2.276343199146515
Energy: 2.2730060030502197
Energy: 2.276313454654978
Energy: 2.272796120251562
Energy: 2.856777830968489
Energy: 2.1609646618999783
Energy: 2.359199053665661
Energy: 2.267003411684377
Energy: 2.267792842713549
Energy: 2.2741855015358077
Energy: 2.5799784809426636
Energy: 2.841395149007872
Energy: 2.870750105198972
Energy: 1.9974602955718013
Energy: 2.2586339041292174
Energy: 2.3796856975970915
Energy: 2.8239161086758147
Energy: 2.1604328113276057
Energy: 2.8318290390476046
Energy: 2.8477671847817883
Energy: 2.228290654635846
Energy: 2.847613391687036
Energy: 2.7285570443643024
Energy: 2.148488070111155
Energy: 2.1558172136956117
Energy: 2.9403667309789405
Energy: 2.9320159143103233
Energy: 2.8288490275484337
Energy: 2.1531733816433065
Energy: 2.148814722512751
Energy: 2.1466483174351327
Energy: 2.8459758896981002
Energy: 2.6567065985045106
Energy: 2.137496354963253
Energy: 2.146057154263808
Energy: 2.1355139164733727
Energy: 2.1304704153120473
Energy: 2.3495338085289643
Energy: 2.242917080870577
Energy: 2.134681351705195
Energy: 2.129939752622019
Energy: 2.181620669694058
Energy: 2.1479945658386708
Energy: 2.953902539693182
Energy: 2.960154549033994
Energy: 2.3664711149422657
Energy: 2.150159103775983
Energy: 2.6531077489968267
Energy: 2.369010982651212
Energy: 2.5508778401371566
Energy: 2.1438975390121455
Energy: 2.550009513956583
Energy: 2.3693972488917083
Energy: 2.388722222296886
Energy: 2.557927914053049
Energy: 2.331920986340555
Energy: 2.6526592907181077
Energy: 2.5799806125451457
Energy: 2.553080719483933
Energy: 2.650891205781673
Energy: 2.5684723840168195
Energy: 2.582465741068918
Energy: 2.6492320094511053
Energy: 2.571997073115671
Energy: 2.5481995539916555
Energy: 2.391046790184113
Energy: 2.5662479741800808
Energy: 2.5670188098340176
Energy: 2.5660193339791837
Energy: 2.5622380195603593
Energy: 2.5784886921103545
Energy: 2.8673048132399876
Energy: 2.5780566602425665
Energy: 2.577323766281945
Energy: 2.2231538506361455
Energy: 2.5807611477207275
Energy: 2.7316401592442654

minimum gb energy = 1.9974602955718013 eV
minimum distance =  2.32595184011559 Angstroms
sigma value = 43


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

Energy: 2.181770846922517
Energy: 2.5101304214383706
Energy: 2.1320845568624742
Energy: 2.1372753889902882
Energy: 2.1283697739637706
Energy: 3.001067537902973
Energy: 2.288013559447061
Energy: 2.132773281247982
Energy: 2.1446358641057164
Energy: 2.1319328100766
Energy: 2.1428318659670382
Energy: 2.500770750394106
Energy: 2.566277412432555
Energy: 2.5393896996603327
Energy: 2.135087198144551
Energy: 2.1339055431119784
Energy: 2.1336327943036117
Energy: 2.8215010039234985
Energy: 2.398759644454653
Energy: 2.900000155141097
Energy: 2.156841523921678
Energy: 2.1568110691754123
Energy: 2.1560986757374154
Energy: 2.898508811681633
Energy: 2.5738472513426163
Energy: 2.8724100328323146
Energy: 2.7538837496344715
Energy: 2.303653552557702
Energy: 2.8496112950957917
Energy: 2.716485979710094
Energy: 2.053823926255625
Energy: 2.0579394792224783
Energy: 3.009481516748667
Energy: 2.766241990996738
Energy: 2.9060942037507496
Energy: 2.0561056468463472
Energy: 2.052098464180996
Energy: 2.0538895441245035
Energy: 2.5361583320822034
Energy: 2.3719292462870927
Energy: 2.057774643305366
Energy: 2.0570597196998985
Energy: 2.051824351037073
Energy: 2.0554691742501765
Energy: 2.5368045319826096
Energy: 2.374541257340389
Energy: 2.054645151069389
Energy: 2.056332058304098
Energy: 2.0545974804664984
Energy: 2.058282770711922
Energy: 2.910857682316839
Energy: 2.8694961737443356
Energy: 2.846284685099455
Energy: 2.056936685263588
Energy: 2.9085973214591143
Energy: 2.870753190228873
Energy: 2.754096027861363
Energy: 2.3236972069283413
Energy: 2.8659832248707207
Energy: 2.712034515785197
Energy: 2.9086559328201567
Energy: 2.8447313517140977
Energy: 2.121002732629764
Energy: 2.13578625585052
Energy: 2.1568440415588794
Energy: 2.7603674677723116
Energy: 2.5652932974363436
Energy: 2.847030567190204
Energy: 2.143296431438359
Energy: 2.139395670119713
Energy: 2.141942527691111
Energy: 2.711377666693223
Energy: 2.621511916379809
Energy: 2.1353541373988696
Energy: 2.1366886074007576
Energy: 2.136657144960719
Energy: 2.1365929305758615
Energy: 2.4950698303279673
Energy: 2.545663475720443
Energy: 2.494457346924464
Energy: 2.1328620000609666
Energy: 2.1358409508477694
Energy: 2.1585371902667316
Energy: 2.906990519152757
Energy: 2.1171607102735264
Energy: 2.5142798427853457
Energy: 2.521768722272806
Energy: 2.504247868882737
Energy: 2.5131549616468
Energy: 2.500956382031561
Energy: 2.575515510326265
Energy: 2.4205160583713177
Energy: 2.5106565215329626
Energy: 2.5006813790292703
Energy: 2.513329096017534
Energy: 2.491111878791718
Energy: 2.566732378746069
Energy: 2.5007057591818427
Energy: 2.5275395222035826
Energy: 2.522938433065012
Energy: 2.4222669568852426
Energy: 2.4962757429145084
Energy: 2.566727740049022
Energy: 2.511136481956091
Energy: 2.4984311183295
Energy: 2.251121343700666
Energy: 2.5027570310504244
Energy: 2.492233528924298
Energy: 2.133800446956862
Energy: 2.1322242498362556
Energy: 3.0795911881692555
Energy: 3.002778963409559
Energy: 2.5128392422175563
Energy: 2.1316620449932278
Energy: 2.1302652564948827
Energy: 2.144136459197376
Energy: 2.1327652748165584
Energy: 2.2539111784364647
Energy: 2.133901876068059
Energy: 2.144469024744731
Energy: 2.1396630271975825
Energy: 2.1351898702472845
Energy: 2.8504558471844543
Energy: 2.4609307159702487
Energy: 2.1372149337975888
Energy: 2.134395870359241
Energy: 2.155854246287225
Energy: 2.1582242656811887
Energy: 2.8987451445595314
Energy: 2.7137448926286685
Energy: 2.898019705002656
Energy: 2.1486505822921793
Energy: 2.2164518389526595
Energy: 2.8462524201176747
Energy: 2.7175816121297904
Energy: 2.5022210247817496
Energy: 2.90825544620945
Energy: 2.7531621575465426
Energy: 2.8952601588351765
Energy: 2.9089502763170416
Energy: 2.0556442501046557
Energy: 2.0540197596599663
Energy: 2.0602131753266426
Energy: 3.0099238489126066
Energy: 2.1342651500902208
Energy: 2.0560950426225353
Energy: 2.0545143079278203
Energy: 2.053583147379105
Energy: 2.055347556131347
Energy: 2.7551213635138065
Energy: 2.3740218313154244
Energy: 2.5368654514526305
Energy: 2.054911252017918
Energy: 2.052912300801044
Energy: 2.05613199398549
Energy: 2.582703825117272
Energy: 2.558936233055322
Energy: 2.8476829194871085
Energy: 2.057573276380804
Energy: 2.054728533575212
Energy: 2.057309496778044
Energy: 2.841402604799586
Energy: 2.3743548083362263
Energy: 2.8674049636938657
Energy: 2.7120135733310913
Energy: 2.504615969945581
Energy: 2.869598331913322
Energy: 2.7546814568261384
Energy: 2.13651653629373
Energy: 2.1554888276511166
Energy: 2.897003522604945
Energy: 2.760764042986454
Energy: 2.844827237894047
Energy: 2.142937473123328
Energy: 2.139298840684522
Energy: 2.1423133454466656
Energy: 2.8486572910564436
Energy: 2.5656204612828626
Energy: 2.142300552156851
Energy: 2.143083124477202
Energy: 2.136403544285572
Energy: 2.139452042664245
Energy: 2.1327674171820723
Energy: 2.5760528485806318
Energy: 2.1256554565124226
Energy: 2.1362682617974085
Energy: 2.135669378003116
Energy: 2.159876602948189
Energy: 2.907492499625613
Energy: 2.87784491201809
Energy: 2.5111716194632976
Energy: 2.1322704791773046
Energy: 2.570899817432838
Energy: 2.5125746038119052
Energy: 2.496920629852885
Energy: 2.3633477535227754
Energy: 2.513964538096521
Energy: 2.492308437361185
Energy: 2.5588348526064695
Energy: 2.511980282168804
Energy: 2.490692293168845
Energy: 2.5752665950041216
Energy: 2.4203268100202404
Energy: 2.515072920234303
Energy: 2.56482849464518
Energy: 2.4909348741731803
Energy: 2.500585549666032
Energy: 2.5020903418212264
Energy: 2.499689202714997
Energy: 2.5280233105557177
Energy: 2.20148544308221
Energy: 2.5120350064228067
Energy: 2.510779733146998
Energy: 2.5035967835614525
Energy: 2.5114235680215162
Energy: 2.501015028727939

minimum gb energy = 2.051824351037073 eV
minimum distance =  2.31785202531829 Angstroms
sigma value = 81


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

Energy: 2.0710833288770805
Energy: 2.746971177238053
Energy: 2.082863215782376
Energy: 2.081934290672702
Energy: 2.7574064623541354
Energy: 2.0708585684574126
Energy: 2.0826430810649326
Energy: 2.367967385698269
Energy: 2.0823825087832044
Energy: 2.0819770394315733
Energy: 2.0814520597014465
Energy: 2.3673143792958187
Energy: 2.368641987252036
Energy: 2.3674059008154833
Energy: 2.082195687285001
Energy: 2.0827348315307477
Energy: 2.0819896858003433
Energy: 2.3685930379419107
Energy: 2.366243699735083
Energy: 2.367434448246651
Energy: 2.082704613239948
Energy: 2.0821386934895045
Energy: 2.36832880963146
Energy: 2.368259963565472
Energy: 2.3668472609275355
Energy: 2.3674355540301115
Energy: 2.369861758353078
Energy: 2.071367282687997
Energy: 2.367030591896381
Energy: 2.368116562585828
Energy: 2.0835282610802963
Energy: 2.081725841419069
Energy: 2.0711786823509333
Energy: 2.07103120298097
Energy: 2.3681324856722314
Energy: 2.0820385012504596
Energy: 2.0816737424155742
Energy: 2.082795650200976
Energy: 2.367310853947739
Energy: 2.0825296120440435
Energy: 2.082001206750502
Energy: 2.0822631496681696
Energy: 2.0826123761741018
Energy: 2.0825755903513
Energy: 2.3690285931216213
Energy: 2.3666800395887644
Energy: 2.3679703278323543
Energy: 2.0822205446605855
Energy: 2.082162266855106
Energy: 2.0823997500602456
Energy: 2.3674726510907282
Energy: 2.367769587721747
Energy: 2.3664989424608907
Energy: 2.0828532180909662
Energy: 2.0707533820089794
Energy: 2.3676894383936773
Energy: 2.366700226623418
Energy: 2.3677609221254725
Energy: 2.3692660382851454
Energy: 2.3692218147867714

minimum gb energy = 2.0707533820089794 eV
minimum distance =  2.47745939215058 Angstroms
sigma value = 3


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

Energy: 3.436424630784791
Energy: 2.5240580470762124
Energy: 2.408483930504864
Energy: 2.409786260097895
Energy: 2.4083008451291614
Energy: 2.9880975896301827
Energy: 2.4092342706664356
Energy: 2.075906847260486
Energy: 2.41765641674763
Energy: 2.4098399776203694
Energy: 2.4183349954740674
Energy: 2.4003089888223514
Energy: 2.4092612472601154
Energy: 2.3083334983442376
Energy: 2.3986080899647546
Energy: 2.410414649367275
Energy: 2.4188659606683576
Energy: 2.4113397925823423
Energy: 2.4057668559160232
Energy: 2.398326758048903
Energy: 2.408890906473171
Energy: 2.408928635570085
Energy: 2.3014464085733626
Energy: 2.4065587353045927
Energy: 2.409153704008567
Energy: 2.4179108895395762
Energy: 2.4180804463162042
Energy: 2.885886596301093
Energy: 2.42104656036988
Energy: 2.4089605773474574
Energy: 2.557135740705738
Energy: 2.5464226414817484
Energy: 2.650039034185836
Energy: 2.6361482044553286
Energy: 2.4111633503626084
Energy: 2.5461834821887726
Energy: 2.6885933061641167
Energy: 2.417856485178012
Energy: 2.8750419176222235
Energy: 2.3996189205036123
Energy: 2.8752551809675144
Energy: 2.4023590832152113
Energy: 2.680854680480425
Energy: 2.8766587332659945
Energy: 2.0829062897346993
Energy: 2.084041999024752
Energy: 2.080903306570097
Energy: 2.4037965698018704
Energy: 2.8587493329054974
Energy: 2.074463563720072
Energy: 2.0726419018478976
Energy: 2.0761539124285227
Energy: 2.072594128473848
Energy: 2.9503863335285616
Energy: 2.7596746600013695
Energy: 2.0804950953007033
Energy: 2.0820794747535887
Energy: 2.081398999320864
Energy: 2.0807710399097803
Energy: 2.321520346074842
Energy: 2.6612815689095046
Energy: 2.632901781748004
Energy: 2.083073041185058
Energy: 2.084106709954725
Energy: 2.658449870619701
Energy: 2.8734645711603957
Energy: 2.5691095506354777
Energy: 2.6392989667697018
Energy: 2.6009761318931313
Energy: 3.079530214815748
Energy: 2.614180544736435
Energy: 2.7450988676691943
Energy: 2.0823277878361304
Energy: 2.083444727922628
Energy: 2.08322008223343
Energy: 3.079160542884026
Energy: 2.0815596957564386
Energy: 2.0836724820612873
Energy: 2.0743502047393476
Energy: 2.072453247876201
Energy: 2.073646054009224
Energy: 2.8545509018963866
Energy: 2.07397406154029
Energy: 2.0743741526289337
Energy: 2.0834577110911723
Energy: 2.0819391853711515
Energy: 2.418985187812335
Energy: 2.905066943508926
Energy: 2.502260032368155
Energy: 2.081299112447791
Energy: 2.085538697051626
Energy: 2.8637244161564475
Energy: 2.8827446227156805
Energy: 2.9061770415617016
Energy: 2.8865369633937923
Energy: 2.0832391881212846
Energy: 3.026850876449076
Energy: 2.0760078221270466
Energy: 2.4103205246288324
Energy: 2.5474425356133157
Energy: 2.4091955757509846
Energy: 2.0395447944465555
Energy: 3.027338360546054
Energy: 2.0765381482871947
Energy: 2.4090205627238745
Energy: 2.4072443914583017
Energy: 2.391932995767614
Energy: 2.03700502967926
Energy: 2.409276611952586
Energy: 2.307020763535823
Energy: 2.417550359177369
Energy: 2.39984283315411
Energy: 2.4203827665806608
Energy: 2.4099522132583995
Energy: 2.408887711093979
Energy: 2.4161098806765713
Energy: 2.408580870700319
Energy: 2.408456989666252
Energy: 2.304831219456937
Energy: 2.4047456068893394
Energy: 2.408524733186067
Energy: 2.4179362001495277
Energy: 2.3996923577589544
Energy: 2.3999255404205413
Energy: 2.420803331567803
Energy: 2.403498424293176
Energy: 2.4099683273262387
Energy: 2.410683998316384
Energy: 2.811437604990495
Energy: 2.308166732654636
Energy: 2.409134405761351
Energy: 2.409875938391903
Energy: 2.8568891672993533
Energy: 2.4244105091786734
Energy: 2.5486121647830844
Energy: 2.8829788817745596
Energy: 2.5463368128142516
Energy: 2.8651462195056907
Energy: 2.682041362255311
Energy: 2.864290593682053
Energy: 2.085702162063949
Energy: 2.0854477372791838
Energy: 2.6254814225648615
Energy: 2.6709247332505637
Energy: 2.8572263962750073
Energy: 2.6298627067758713
Energy: 2.075690033803015
Energy: 2.080877014692044
Energy: 2.074537411868616
Energy: 2.868266741224673
Energy: 2.858833695476757
Energy: 2.0783887260626113
Energy: 2.0794587645234572
Energy: 2.0843454382094313
Energy: 2.078106485804393
Energy: 2.4256507288012217
Energy: 2.6612584389924674
Energy: 2.639632378358413
Energy: 2.084325768605177
Energy: 2.083458102932163
Energy: 2.082106533741962
Energy: 2.873699090461262
Energy: 2.760502175792775
Energy: 2.6339936574190634
Energy: 2.0811843149331595
Energy: 3.0027839367628224
Energy: 2.0741419117383555
Energy: 2.633027888563629
Energy: 2.0835836886109727
Energy: 2.0825565443419776
Energy: 3.00445590477391
Energy: 2.9834086442302326
Energy: 2.639490128828894
Energy: 2.0833827139693617
Energy: 2.0846864792489264
Energy: 2.0763488634706366
Energy: 2.0747443961552956
Energy: 2.86602817706229
Energy: 2.0761550894403835
Energy: 2.080586698679936
Energy: 2.075574164478803
Energy: 2.0749670798354223
Energy: 2.572240479022483
Energy: 2.9052230167158517
Energy: 2.073827216451833
Energy: 2.0774295266891443
Energy: 2.085424838841375
Energy: 2.084848764100078
Energy: 2.8628346714421777
Energy: 2.853973278705321
Energy: 2.864339293108305
Energy: 2.0842600545918115
Energy: 2.6880958350220796
Energy: 2.592451330470954
Energy: 2.4096417707298308
Energy: 2.9054034514923033
Energy: 2.0779196035591565
Energy: 2.588791714565095

minimum gb energy = 2.03700502967926 eV
minimum distance =  2.40881714717524 Angstroms
sigma value = 67


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

Energy: 3.1776336268327947
Energy: 2.537618770663523
Energy: 2.5652993773313497
Energy: 2.564281651718016
Energy: 2.5658988882366764
Energy: 2.341440203433871
Energy: 2.4369909460336467
Energy: 2.369569839602405
Energy: 2.4660890079016853
Energy: 2.4345137246460875
Energy: 2.475710698424856
Energy: 2.4632717369581827
Energy: 2.4378241510649135
Energy: 2.2104245996756897
Energy: 2.4613627049676405
Energy: 2.4453143107677286
Energy: 2.3681480333040894
Energy: 2.4369231104013256
Energy: 2.438391629143054
Energy: 2.476178093676289
Energy: 2.2108266845024898
Energy: 2.4542723144587546
Energy: 2.2066220177749654
Energy: 2.4772360154977267
Energy: 2.4384419971642033
Energy: 2.4770289461606816
Energy: 2.4797682845175886
Energy: 2.2643571895440875
Energy: 2.4854969502191766
Energy: 2.4343409821356943
Energy: 2.436910834885206
Energy: 2.505654836703734
Energy: 2.627014939055168
Energy: 2.606645056440804
Energy: 2.4396837821698085
Energy: 2.50535792402648
Energy: 2.871907362089629
Energy: 2.4788055961148814
Energy: 2.882348891227717
Energy: 2.281695604056186
Energy: 2.8810175345675733
Energy: 2.482173275910034
Energy: 2.920201263556486
Energy: 2.8054645957801227
Energy: 2.22200867112117
Energy: 2.2218394264340984
Energy: 2.2149530759077667
Energy: 2.951689173436948
Energy: 2.7677632407528443
Energy: 2.2173445049453875
Energy: 2.21180201655443
Energy: 2.216576589539007
Energy: 2.214143769965169
Energy: 2.7531808690825152
Energy: 2.7672675604464674
Energy: 2.141748389289598
Energy: 2.22029835784498
Energy: 2.221363174562886
Energy: 2.012938071400328
Energy: 2.161945241435464
Energy: 2.8070168896754097
Energy: 2.444247018561869
Energy: 2.4469802647735626
Energy: 2.223491899444566
Energy: 2.4451547683983974
Energy: 2.4254837585227764
Energy: 2.4586491783876534
Energy: 2.0259209697109735
Energy: 2.013344455736415
Energy: 2.7161987252251603
Energy: 2.0198477155053864
Energy: 2.432243137655473
Energy: 2.4270604451782223
Energy: 2.0266218892487755
Energy: 2.015254297903882
Energy: 2.7160918601224933
Energy: 2.0151131477021167
Energy: 2.026413373548896
Energy: 2.4752318338118835
Energy: 2.3956510752961844
Energy: 2.4071451475827725
Energy: 2.5688820725984747
Energy: 2.3850960250819173
Energy: 2.3870089117853075
Energy: 2.4204756861702617
Energy: 2.016144397311296
Energy: 2.604826421531299
Energy: 2.5724946992383666
Energy: 2.1592696396920945
Energy: 2.0282862998004596
Energy: 2.4170685167629986
Energy: 2.603848203850532
Energy: 2.601736411415549
Energy: 2.5755236994662383
Energy: 2.60147814053786
Energy: 2.4267463441850485
Energy: 2.856991548277046
Energy: 2.546564864094786
Energy: 2.567284904435073
Energy: 2.5663999377871245
Energy: 2.5677159569392467
Energy: 2.5865201642926676
Energy: 2.860467255957698
Energy: 2.55515142089099
Energy: 2.56739205914735
Energy: 2.6919895392162467
Energy: 2.566804209795966
Energy: 2.5545657853432764
Energy: 2.0896208389793216
Energy: 2.091705052698871
Energy: 2.927650361293791
Energy: 2.9268111730204436
Energy: 2.556204828276434
Energy: 2.0911504827534175
Energy: 2.0909083699119035
Energy: 2.0822790086930567
Energy: 2.56683310878037
Energy: 2.679106189984861
Energy: 2.0884223021017054
Energy: 2.082921946915462
Energy: 2.0806938655861464
Energy: 2.0805247070062687
Energy: 2.083978717406193
Energy: 2.8412973127838965
Energy: 2.082568680587236
Energy: 2.078337668079854
Energy: 2.093462677248969
Energy: 2.0895815241164684
Energy: 2.558938615410998
Energy: 2.4439365339298904
Energy: 2.3669353552896624
Energy: 2.088586667603202
Energy: 2.5700994452218455
Energy: 2.4962002462994963
Energy: 2.4623367930661284
Energy: 2.8233715059132134
Energy: 2.471568075699635
Energy: 2.577491400641256

minimum gb energy = 2.012938071400328 eV
minimum distance =  2.37678827324765 Angstroms
sigma value = 33


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

Energy: 3.2631103244775757
Energy: 2.9903289349678674
Energy: 2.667688296752246
Energy: 2.6631255446614848
Energy: 2.6417773288457513
Energy: 3.1617004274978995
Energy: 2.181265935689915
Energy: 2.2787940115645022
Energy: 2.6219094280171027
Energy: 2.5916406018136238
Energy: 2.4401622362726005
Energy: 2.6467104725888744
Energy: 2.1787226077709083
Energy: 1.966143015412202
Energy: 2.639104468236296
Energy: 2.4029859295418023
Energy: 2.4575952640119714
Energy: 2.1798609814764447
Energy: 2.188282933485253
Energy: 2.1899268998429764
Energy: 2.3242021534381747
Energy: 2.58986391640132
Energy: 1.9679063244253892
Energy: 2.1932467220612453
Energy: 2.177622601255821
Energy: 2.1938024567739256
Energy: 2.1900164290500896
Energy: 2.6207523283997856
Energy: 2.190414790416851
Energy: 2.183515151460782
Energy: 2.1848792861477797
Energy: 2.1809571909191834
Energy: 2.8339748229561543
Energy: 2.636096153858169
Energy: 2.832159958790669
Energy: 2.187719937928866
Energy: 2.844175907908879
Energy: 2.188706858736003
Energy: 2.8328842397398755
Energy: 2.6210227000180124
Energy: 2.9843094023806915
Energy: 2.392453009637685
Energy: 2.8433474251631714
Energy: 2.1009799579958157
Energy: 2.177990478581551
Energy: 2.1798449838567864
Energy: 2.1793305883223004
Energy: 2.3856198129245585
Energy: 2.6195251928026497
Energy: 2.1909577550669024
Energy: 2.1854937847576696
Energy: 2.1903519231962845
Energy: 2.1878172334562738
Energy: 2.5916905501310143
Energy: 2.594968784562353
Energy: 2.270242348574344
Energy: 2.183890680296167
Energy: 2.1890325056402427
Energy: 1.9648755936010684
Energy: 2.5950484881473037
Energy: 2.591708451427853
Energy: 2.636164485979083
Energy: 1.9776029008756268
Energy: 2.181049915377444
Energy: 2.64493621827979
Energy: 2.638027987654695
Energy: 2.5748681354213208
Energy: 2.5843738339936357
Energy: 1.9684984138538373
Energy: 2.4402999944437997
Energy: 2.5433858325243115
Energy: 2.583354279285204
Energy: 2.6794466902832133
Energy: 2.5888562361400336
Energy: 1.9736391981855206
Energy: 2.4403139592901963
Energy: 2.545165521120814
Energy: 2.8974778107568606
Energy: 2.785347360786652
Energy: 3.035588062118535
Energy: 1.9653299489438398
Energy: 1.9721282072573474
Energy: 3.043719580204004
Energy: 2.886498058666224
Energy: 2.7886357592426485
Energy: 1.9666425222460493
Energy: 1.9656884947244107
Energy: 1.972803324517242
Energy: 1.9650584841690193
Energy: 2.5238857843789475
Energy: 2.8395308705346993
Energy: 1.966256784946807
Energy: 1.9654033685257901
Energy: 1.9687876663818928
Energy: 1.9674030117847958
Energy: 2.8963157706435583
Energy: 2.596209942873644
Energy: 2.8041874786809524
Energy: 1.971475410546852
Energy: 1.9712752791189159
Energy: 1.9693751104217665
Energy: 2.6242023822616
Energy: 2.8408731227824395
Energy: 2.6396311427059036
Energy: 2.8112102183347263
Energy: 2.182152550412682
Energy: 1.9655098190662255
Energy: 2.6168985717525466
Energy: 2.6242199307664458
Energy: 2.623063641548573
Energy: 2.384153683808118
Energy: 3.1589900652573575
Energy: 2.575237313041596
Energy: 2.6534943005455074
Energy: 2.587222243917885
Energy: 2.605498840275268
Energy: 2.279284816113773
Energy: 2.3847263195284794
Energy: 2.2880225231363465
Energy: 2.5938069691717214
Energy: 2.3987316002770234
Energy: 2.642355708366092
Energy: 2.1819477957996614
Energy: 2.1825467417886877
Energy: 2.261322636725779
Energy: 2.637850502051201
Energy: 2.589479512874369
Energy: 1.967097168690855
Energy: 2.187961232700077
Energy: 2.1824144037256445
Energy: 2.189481875721955
Energy: 2.5876931552929148
Energy: 2.6212923100734633
Energy: 2.1891542157964325
Energy: 2.196194510075402
Energy: 2.1799805777331622
Energy: 2.195437209586214
Energy: 2.1864282530962194
Energy: 2.833161556922923
Energy: 3.0879410119258046
Energy: 2.1834031314682685
Energy: 2.1842432822739886
Energy: 2.18075748659126
Energy: 3.029203624891619
Energy: 2.6228529943781567
Energy: 2.3655800947669343
Energy: 2.1934042979912443
Energy: 2.939814450827972
Energy: 2.193930062187385
Energy: 2.5206357148443144
Energy: 2.179789249449074
Energy: 2.179141543614587
Energy: 3.161096436809735
Energy: 2.7858377576636197
Energy: 2.1805794914497314
Energy: 2.181556617371014
Energy: 2.188189757771742
Energy: 2.186592456516421
Energy: 1.9662558317311907
Energy: 2.6198412102681043
Energy: 2.1877649955747107
Energy: 2.188675757887332
Energy: 2.1882662676758087
Energy: 2.187025962462566
Energy: 2.1020544579566143
Energy: 2.595879260547999
Energy: 1.9804684965112394
Energy: 2.189109624115536
Energy: 2.180799291559826
Energy: 1.965999854926368
Energy: 2.6467811705669244
Energy: 2.592553950989112
Energy: 2.6378958323134474
Energy: 2.1794542254049523
Energy: 2.5854371464168504
Energy: 1.9766513371041574
Energy: 2.5841264557150185
Energy: 2.5868106359666854
Energy: 2.605033726213677
Energy: 2.1824076373084926
Energy: 2.617429910594173
Energy: 2.5181111430299463
Energy: 2.5773013955206543
Energy: 2.6790520467915204
Energy: 2.5903650844585338
Energy: 2.844049457283553
Energy: 1.9783334756137545
Energy: 1.9662992212101473
Energy: 2.6361871205300136
Energy: 2.7863151216415725
Energy: 3.035899182833201
Energy: 1.973079835656921
Energy: 1.971660935119894
Energy: 1.965688239233327
Energy: 1.9838465241977208
Energy: 2.7849851514242436
Energy: 1.9668293945382795
Energy: 1.9715717740838787
Energy: 1.9641701802558227
Energy: 1.9662772734159324
Energy: 1.965477480001277
Energy: 2.802037462845198
Energy: 1.9667179345575818
Energy: 1.9637218055483785
Energy: 1.9727677589498838
Energy: 1.966627356838551
Energy: 2.636359718977553
Energy: 2.8397885575099213
Energy: 1.9649281631162387
Energy: 1.9709957475550568
Energy: 1.9794276864644398
Energy: 3.0418048794144483
Energy: 2.624237865494993
Energy: 2.8423964676195466
Energy: 3.034370526350448
Energy: 2.1828014322061877
Energy: 2.829068798411782
Energy: 2.67593350526333
Energy: 2.6370609598508916
Energy: 2.6372047663216467
Energy: 2.5776306536620965
Energy: 3.1598556443751202

minimum gb energy = 1.9637218055483785 eV
minimum distance =  2.43558281240522 Angstroms
sigma value = 41


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

Energy: 2.9900685079351628
Energy: 2.8592410609501746
Energy: 2.1700846654184907
Energy: 2.1710514614070004
Energy: 2.1704049684996622
Energy: 2.8950310729505904
Energy: 2.1899118719138846
Energy: 1.7869731872228394
Energy: 1.7871387045523628
Energy: 2.192958708677453
Energy: 1.7867700830923736
Energy: 2.2218128911431347
Energy: 2.194504131962638
Energy: 1.7860665256485733
Energy: 1.788482130255082
Energy: 1.6901651226964403
Energy: 1.7855228827573442
Energy: 2.2298241941177555
Energy: 2.3473833617492095
Energy: 2.3131774231683035
Energy: 1.7887943340357693
Energy: 2.228531118241293
Energy: 1.7885370243788492
Energy: 2.314451356447359
Energy: 2.193232935913656
Energy: 2.193171242680252
Energy: 2.3221635051061518
Energy: 2.1904382471243866
Energy: 2.3225256244343417
Energy: 2.1939066507988882
Energy: 2.167898677958907
Energy: 2.1690039517237385
Energy: 2.84615152510049
Energy: 2.30481104044511
Energy: 2.862074412342625
Energy: 2.1699708375279654
Energy: 2.685346834511703
Energy: 2.3192198342514656
Energy: 2.3252236694250303
Energy: 2.193088910206794
Energy: 2.320945497608597
Energy: 2.909651663044943
Energy: 2.6855337679866604
Energy: 2.3279341363823605
Energy: 2.1894069523515216
Energy: 2.193163959581307
Energy: 1.7873972500464335
Energy: 2.8920306190232634
Energy: 2.1913322860722455
Energy: 1.7866779014035716
Energy: 1.7875014828611788
Energy: 1.6915398366867826
Energy: 1.789838370471613
Energy: 2.222563687001842
Energy: 2.211607477784557
Energy: 1.7864503291631317
Energy: 1.7879480327187076
Energy: 2.211808174232945
Energy: 1.7902160804818572
Energy: 2.322028003904918
Energy: 2.210460018993905
Energy: 2.3285247885237035
Energy: 1.787772166913182
Energy: 2.2284426260647656
Energy: 2.326443900088803
Energy: 2.3248819649430787
Energy: 2.174520342694152
Energy: 2.172580782662167
Energy: 2.3229894929464545
Energy: 2.3065431691919174
Energy: 2.2087860168187716
Energy: 2.1734368811071385
Energy: 2.1750452213807767
Energy: 2.1913052930421895
Energy: 2.3229149538373206
Energy: 2.194223259049606
Energy: 2.2081611623698856
Energy: 2.1698865855715828
Energy: 2.6852749627645514
Energy: 2.3290716428240192
Energy: 2.1728714349206903
Energy: 2.2022794095687326
Energy: 1.790251710414127
Energy: 2.8921794235329554

minimum gb energy = 1.6901651226964403 eV
minimum distance =  2.41567942899773 Angstroms
sigma value = 11


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

Energy: 2.9870253989782456
Energy: 2.993704296550399
Energy: 2.423026536818557
Energy: 2.4209856516874755
Energy: 2.4191488401508434
Energy: 3.1776136156865014
Energy: 2.1276428450308886
Energy: 2.445208557423791
Energy: 2.666555154075875
Energy: 2.522713294206532
Energy: 2.409779040937692
Energy: 2.14647130433127
Energy: 2.123146852052029
Energy: 2.1474502762408725
Energy: 2.401781424479175
Energy: 2.6045730390805795
Energy: 2.401947264746715
Energy: 2.1287390944297644
Energy: 2.124002250265616
Energy: 2.1468252875511915
Energy: 2.1488582566498287
Energy: 2.5226505209317844
Energy: 2.1491044942495123
Energy: 2.1331696764808514
Energy: 2.1251937486599473
Energy: 2.127340447310268
Energy: 2.4405985436467175
Energy: 2.635296255115794
Energy: 2.1473435264454133
Energy: 2.1262339478630654
Energy: 2.127852890328008
Energy: 2.1283794793784363
Energy: 2.904299120617405
Energy: 2.634808405130776
Energy: 2.900368016121846
Energy: 2.128724861466509
Energy: 2.453573071790671
Energy: 2.427451808756924
Energy: 2.5673765928286794
Energy: 2.636675292712347
Energy: 2.4171380951784474
Energy: 2.6576373470571273
Energy: 2.453739570163476
Energy: 2.424590745596883
Energy: 2.4580043273689562
Energy: 2.4583266057232627
Energy: 2.458601013490689
Energy: 2.8980095230004483
Energy: 2.127235466133984
Energy: 2.129563441884815
Energy: 2.6351339667733726
Energy: 2.776602218839289
Energy: 2.42265584156177
Energy: 2.1273384651003515
Energy: 2.298634613539819
Energy: 2.2521321012941367
Energy: 2.394536161721052
Energy: 2.776775200406296
Energy: 2.394976281724366
Energy: 2.3000278544100135
Energy: 2.3000205957630406
Energy: 2.3686004152904805
Energy: 2.2051187267445926
Energy: 2.2995950049414415
Energy: 2.417001807222683
Energy: 2.3733880684146764
Energy: 2.300418319770487
Energy: 2.1952487715873947
Energy: 2.368086148459977
Energy: 2.299477465778042
Energy: 2.4194364979395395
Energy: 2.3506410816605197
Energy: 2.345454892432833
Energy: 2.373185469084639
Energy: 2.345684461848837
Energy: 2.2999298424873125
Energy: 2.3696658403688047
Energy: 2.2990133734033007
Energy: 2.631972521769627
Energy: 2.2517381230651856
Energy: 2.25061263167155
Energy: 2.3048791180059798
Energy: 2.2498657861470637
Energy: 2.4533207437566116
Energy: 2.4589321874911425
Energy: 2.407148150910567
Energy: 2.1463393172703147
Energy: 2.1280515465475043
Energy: 2.1284905331852584
Energy: 2.635801673833864
Energy: 2.3111598038418015
Energy: 2.3002648331037876
Energy: 3.21850479608132
Energy: 3.1874394723172577
Energy: 2.878985461400604
Energy: 2.310766477984754
Energy: 2.523279975408909
Energy: 2.3501571008380133
Energy: 2.442952355249216
Energy: 2.1089455994831536
Energy: 2.4538900187361348
Energy: 2.635674084028128
Energy: 2.48019384077063
Energy: 2.4018933683545955
Energy: 2.1294455573375233
Energy: 2.1228191305897415
Energy: 2.4251575641714638
Energy: 2.607329325255525
Energy: 2.5225928733378344
Energy: 2.150291391089371
Energy: 2.128555775534504
Energy: 2.1288892803761112
Energy: 2.147328320560465
Energy: 2.4083035432796724
Energy: 2.6348118902482898
Energy: 2.1476856317330792
Energy: 2.1275753407810383
Energy: 2.1261837893734055
Energy: 2.1450980854545287
Energy: 2.477137024288198
Energy: 2.6348579879441596
Energy: 2.90008157446712
Energy: 2.130855979850217
Energy: 2.1279714525515536
Energy: 2.4120019853745425
Energy: 2.904202085588076
Energy: 2.6348045651815113
Energy: 2.5670580360584143
Energy: 2.4270488179190925
Energy: 2.4528507346494037
Energy: 2.396304081993094
Energy: 2.6349272941629036
Energy: 2.3068373081063633
Energy: 2.4043330820870095
Energy: 3.219318130951556
Energy: 2.5618098811704564
Energy: 2.451400069419255
Energy: 2.4041702483725094
Energy: 2.7767144507441857
Energy: 2.439893827653445
Energy: 2.1279011236113985
Energy: 2.1271911448932355
Energy: 2.2516676426496995
Energy: 2.7782778060721576
Energy: 2.7770092596083886
Energy: 2.3940192678808585
Energy: 2.249429215027164
Energy: 2.2993079148267683
Energy: 2.2519769456628826
Energy: 2.9359502498647094
Energy: 2.2373216728512983
Energy: 2.4169558179299546
Energy: 2.377584097025105
Energy: 2.2997714703905356
Energy: 2.3681593819366573
Energy: 2.299006085571
Energy: 2.29973395032466
Energy: 2.424768269997764
Energy: 2.3492509536053454
Energy: 2.2994956466899867
Energy: 2.1957194585429747
Energy: 2.3452714685458145
Energy: 2.2998928967730983
Energy: 2.367812050255836
Energy: 2.181783157900962
Energy: 2.2373686164322004
Energy: 2.371279297410435
Energy: 2.344946890952143
Energy: 2.23770509938858
Energy: 2.2530567261887953
Energy: 2.350388054167365
Energy: 2.6315981570193783
Energy: 2.2513795716480405
Energy: 2.251908627723228
Energy: 2.123194928641671
Energy: 2.662555331866972
Energy: 2.667216148592544
Energy: 2.457915689024756
Energy: 2.4548273809659524
Energy: 2.127726661222543
Energy: 2.776501497263673
Energy: 3.0890056066454474
Energy: 2.3006546250318562
Energy: 2.3104587556612435
Energy: 2.3022944070776408
Energy: 3.224019811852826

minimum gb energy = 2.1089455994831536 eV
minimum distance =  2.48068078994733 Angstroms
sigma value = 57


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

Energy: 3.5378136454111115
Energy: 3.099111075970193
Energy: 2.219925323002071
Energy: 2.3298764801284784
Energy: 2.5772542533471974
Energy: 3.215485674971988
Energy: 2.221314184813323
Energy: 2.322394517679929
Energy: 2.3201494742140834
Energy: 2.2210641685327617
Energy: 2.341531245016885
Energy: 2.3195658366866003
Energy: 2.219071399796331
Energy: 2.2845543319363095
Energy: 2.283130274638722
Energy: 2.2389670081488124
Energy: 2.2836898602737117
Energy: 2.221615962756929
Energy: 2.2208699260105678
Energy: 2.241151583839428
Energy: 2.2770082069911433
Energy: 2.2195583424853726
Energy: 2.277469559208289
Energy: 2.2452811960917916
Energy: 2.2196353604919734
Energy: 2.241938272344994
Energy: 2.3399984180800804
Energy: 2.221232600357524
Energy: 2.3416699574747857
Energy: 2.2410697926301344
Energy: 2.2200422636538506
Energy: 2.28435252175253
Energy: 2.74107441258897
Energy: 2.2210946249490426
Energy: 2.747605256301283
Energy: 2.221016883046082
Energy: 2.2148225816402696
Energy: 2.3294206307742704
Energy: 2.220867728369196
Energy: 2.2200695934028793
Energy: 2.221256622999973
Energy: 2.3418329013899135
Energy: 2.2143672586384726
Energy: 2.241888408900759
Energy: 2.219488478957581
Energy: 2.219933277904905
Energy: 2.220668150006537
Energy: 2.3314706418314404
Energy: 2.2189415588648105
Energy: 2.2206412887354987
Energy: 2.3062851712017687
Energy: 2.193957800189156
Energy: 2.743089462098051
Energy: 2.220486996616436
Energy: 2.2186181312951136
Energy: 2.219784200451283
Energy: 2.306621958599444
Energy: 2.193792760937753
Energy: 2.2873552513432136
Energy: 2.2201820885921304
Energy: 2.193182743853769
Energy: 2.287135910723601
Energy: 2.3205651301370733
Energy: 2.221143211784545
Energy: 2.4955828105439886
Energy: 2.3288273379462545
Energy: 2.1932027458895793
Energy: 2.3227653380922217
Energy: 2.2423410316020984
Energy: 2.2202732661726334
Energy: 2.2432812150115833
Energy: 2.340116326719253
Energy: 2.2201119428406204
Energy: 2.278948313627998
Energy: 2.2757570891351393
Energy: 2.261292837112737
Energy: 2.27492451779456
Energy: 2.2203082551288267
Energy: 2.221905125990659
Energy: 2.2853335154565744
Energy: 2.2419725043014256
Energy: 2.2194621856321066
Energy: 2.2802413478666965
Energy: 2.740521533751344
Energy: 2.219392367739181
Energy: 2.2222855383907665
Energy: 2.3217546933982827
Energy: 2.2198120147658016
Energy: 2.7443354734988703
Energy: 2.221237573573085
Energy: 2.553327939830086
Energy: 2.5758425051949825
Energy: 2.5766314470864704
Energy: 2.7253142241722057
Energy: 2.5767754414714577
Energy: 2.553412791318294
Energy: 2.1939406847242267
Energy: 2.2205355951236765
Energy: 2.3194548967576436
Energy: 2.220004788948975
Energy: 2.3447868941129504
Energy: 2.2203672687967377

minimum gb energy = 2.193182743853769 eV
minimum distance =  2.42843921238221 Angstroms
sigma value = 9


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

Energy: 3.760417223008629
Energy: 2.3797041648063284
Energy: 2.379114887513433
Energy: 2.3829102438067618
Energy: 2.2578011964658917
Energy: 3.3469862641098946
Energy: 2.2616984599383296
Energy: 2.459961918355104
Energy: 2.372836269788167
Energy: 2.2557366031220716
Energy: 2.5064790763703435
Energy: 2.2915015106648426
Energy: 2.2612942556238167
Energy: 2.252192070413001
Energy: 2.4232681277672556
Energy: 2.4235344779894312
Energy: 2.373872657147037
Energy: 2.252294143253907
Energy: 2.340360684098716
Energy: 2.253428557425629
Energy: 2.2862948241866974
Energy: 2.2565906585583106
Energy: 2.391482428143227
Energy: 2.3354413225709516
Energy: 2.3480538752548474
Energy: 2.365218886839269
Energy: 2.365218645985934
Energy: 2.268635144083206
Energy: 2.338346278650732
Energy: 2.369505582364747
Energy: 2.2563927525095004
Energy: 2.364060623937747
Energy: 2.364912011562025
Energy: 2.2685219647534356
Energy: 2.3638026084408805
Energy: 2.254391020225477
Energy: 2.267097059511286
Energy: 2.389561657338228
Energy: 2.251760969729807
Energy: 2.2573090483340246
Energy: 2.2536952779227595
Energy: 2.5030864746739274
Energy: 2.3456463426762353
Energy: 2.890029469959386
Energy: 2.253902189145956
Energy: 2.2597251481247316
Energy: 2.252384440248768
Energy: 2.8908749690427555
Energy: 2.4646751019734445
Energy: 2.5505366831922403
Energy: 2.5041026224990244
Energy: 2.53814044716332
Energy: 2.461260772062203
Energy: 2.346332884797077
Energy: 2.4706261212826295
Energy: 2.6368990523385625
Energy: 2.504321534180623
Energy: 2.5375930043008044
Energy: 2.4602954952550107
Energy: 2.6367998533146126
Energy: 2.321590151675277
Energy: 2.888832607203748
Energy: 2.2694818147063596
Energy: 2.2601452018265356
Energy: 2.253525030660407
Energy: 2.932707803089909
Energy: 2.322130149465836
Energy: 2.5045098370026975
Energy: 2.254513717199161
Energy: 2.2585013503522355
Energy: 2.2868480837118406
Energy: 2.6427971361447273
Energy: 2.25965589587438
Energy: 2.2530167140731128
Energy: 2.460496083622075
Energy: 2.1774923142658174
Energy: 2.374353065377545
Energy: 2.2707996003966286
Energy: 2.2587023614831536
Energy: 2.3353530378769904
Energy: 2.5053845904252223
Energy: 2.177606318325492
Energy: 2.3892078314306144
Energy: 2.3400212094794095
Energy: 2.348248402125921
Energy: 2.3674871912246105
Energy: 2.2856520602935606
Energy: 2.2586428566171985
Energy: 2.337126369092546
Energy: 2.3646923630710543
Energy: 2.3442429149316326
Energy: 2.338674907056911
Energy: 2.3644237696650934
Energy: 2.363572951142877
Energy: 2.366656202706566
Energy: 2.289313207967024
Energy: 2.256365513721859
Energy: 2.3892377396164837
Energy: 2.252832772247356
Energy: 2.253794331655388
Energy: 2.2534814003726122
Energy: 2.372749909156052
Energy: 2.257314248431557
Energy: 2.3752072757174183
Energy: 2.252786910358919
Energy: 2.2647909403297493
Energy: 2.2527751165987553
Energy: 2.8906716169556668
Energy: 2.2571479523119042
Energy: 2.3470823211738483
Energy: 2.3729528808383753
Energy: 2.4285270301786555
Energy: 2.505458620904521
Energy: 2.5502053174851835
Energy: 2.259659339056018
Energy: 2.506471579119319
Energy: 2.6528233780076986
Energy: 2.841881736099605
Energy: 2.5062149713984003
Energy: 2.262586943889776
Energy: 2.321870746363521
Energy: 2.5034551540118377
Energy: 2.4356096227179203
Energy: 2.260286509879555
Energy: 2.374634530947023
Energy: 2.549914384633847

minimum gb energy = 2.1774923142658174 eV
minimum distance =  2.45663874112381 Angstroms
sigma value = 27


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

Energy: 2.3683716669813144
Energy: 2.3304798758909646
Energy: 2.3283600929797053
Energy: 2.330906281271699
Energy: 2.329125223460161
Energy: 3.2118885782907096
Energy: 2.1687183380648145
Energy: 2.4127664420174857
Energy: 2.2803891495309503
Energy: 2.1813317448143192
Energy: 2.6182496939077775
Energy: 2.2814414805999363
Energy: 2.16768261895838
Energy: 2.2620819469741287
Energy: 2.53322792014744
Energy: 2.533910565475144
Energy: 2.4130786018989836
Energy: 2.262295563301435
Energy: 2.1752170743935304
Energy: 2.2625865591020617
Energy: 2.522649074291971
Energy: 2.1809144079728484
Energy: 2.4262196631071715
Energy: 2.2625227864509143
Energy: 2.169619911320633
Energy: 2.4275229260348494
Energy: 2.332818823737121
Energy: 2.1799799585441773
Energy: 2.333529895538958
Energy: 2.426171092704431
Energy: 2.176476673001303
Energy: 2.3465851620981213
Energy: 2.3315444882645995
Energy: 2.1804423427564372
Energy: 2.345939705958381
Energy: 2.175567579404876
Energy: 2.1763223031200725
Energy: 2.424929097419403
Energy: 2.3335193285386455
Energy: 2.270683652715049
Energy: 2.330472057909517
Energy: 2.425906318755576
Energy: 2.1760831969757204
Energy: 2.4239814406181996
Energy: 2.2806124812670596
Energy: 2.1807070039832785
Energy: 2.4255390153833716
Energy: 2.4239044642605423
Energy: 2.169525132297133
Energy: 2.2637190977482944
Energy: 2.2636165573018685
Energy: 2.1808762961163843
Energy: 2.2633081352408895
Energy: 2.2625166463143698
Energy: 2.1683284899638817
Energy: 2.4056490300817703
Energy: 2.6177000611121546
Energy: 2.180570437308409
Energy: 2.4128573965114164
Energy: 2.2636202245574495
Energy: 2.4751100206380814
Energy: 2.412781109973972
Energy: 2.1815499805356593
Energy: 2.1810948232166956
Energy: 2.1814334917081637
Energy: 2.870551800829549
Energy: 2.4747628081216697
Energy: 2.6179946818899684
Energy: 2.314391589691454
Energy: 2.168534578036667
Energy: 2.18127501276828
Energy: 2.41319065833633
Energy: 2.3285423647799877
Energy: 2.1699199490525505
Energy: 2.1667181957130928
Energy: 2.164538897582872
Energy: 2.1691634774164474
Energy: 2.329167232677725
Energy: 2.328541338779076
Energy: 2.18077580252506
Energy: 2.6179297742384287
Energy: 2.1658213080189497
Energy: 2.4128703867933328
Energy: 2.1803778555997457
Energy: 2.1664534887260674
Energy: 2.412805489637068
Energy: 2.262895706280545
Energy: 2.1691543086246705
Energy: 2.261552021684091
Energy: 2.5335382010623126
Energy: 2.1661752907410134
Energy: 2.4252565579933396
Energy: 2.2625518770570894
Energy: 2.1766308051541623
Energy: 2.2629864197328784
Energy: 2.4257787225935803
Energy: 2.180623682682846
Energy: 2.284382597725841
Energy: 2.425996367025822
Energy: 2.3428493804132033
Energy: 2.427331304070815
Energy: 2.179907394789907
Energy: 2.1802060944045127
Energy: 2.3352743116926638
Energy: 2.336399916084912
Energy: 2.1754881774190977
Energy: 2.345612665098665
Energy: 2.333093638122745
Energy: 2.247492176548592
Energy: 2.333442757921889
Energy: 2.3364547184704523
Energy: 2.176486269300527
Energy: 2.3370890401189057
Energy: 2.3348944786477297
Energy: 2.179507251115086
Energy: 2.281098894402233
Energy: 2.424594548035501
Energy: 2.4759568780051775
Energy: 2.426562717900824
Energy: 2.2814890355868602
Energy: 2.1811047180213543
Energy: 2.426551974979921
Energy: 2.2630205309542366
Energy: 2.175961774682641
Energy: 2.263743965912681
Energy: 2.426296477456456
Energy: 2.171423625295159
Energy: 2.413130641585845
Energy: 2.2622679835480333
Energy: 2.1687546942876996
Energy: 2.1694244691004823
Energy: 2.938946514176499
Energy: 2.1813970114938046
Energy: 2.1811745259543724
Energy: 2.4127453075417806
Energy: 2.4747454555135224
Energy: 2.6176379015849447
Energy: 2.169323080478042
Energy: 2.16826873423803
Energy: 2.169931907840566
Energy: 2.4127737163058725
Energy: 2.4753991246617884
Energy: 2.1801228823507866
Energy: 2.1697860683757972
Energy: 2.165863437798959
Energy: 2.6178276834179055
Energy: 2.406887498175258
Energy: 2.169388398017144
Energy: 2.1812583564493933
Energy: 2.5348502461748015

minimum gb energy = 2.164538897582872 eV
minimum distance =  2.42437495899664 Angstroms
sigma value = 19


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

Energy: 2.6029261344402617
Energy: 2.2693200008675096
Energy: 2.2673812770460016
Energy: 2.268248608142106
Energy: 2.2680235689312203
Energy: 2.106964417641488
Energy: 2.1138025510934995
Energy: 2.3991753718194158
Energy: 2.1284341464391496
Energy: 2.1277909258077385
Energy: 2.3995167510405464
Energy: 2.127389227330053
Energy: 2.119585737011554
Energy: 2.117528709468115
Energy: 2.576525351147315
Energy: 2.577263156578789
Energy: 2.3995247295533884
Energy: 2.118206029389541
Energy: 2.1177589686455396
Energy: 2.1140124899954005
Energy: 2.3630001978062274
Energy: 2.1286383489828418
Energy: 2.451769777626319
Energy: 2.1178119326261475
Energy: 2.122841655238021
Energy: 2.364868491040337
Energy: 2.2900310031382767
Energy: 2.162807166851426
Energy: 2.291019932138666
Energy: 2.4515855757793537
Energy: 2.1174788273118796
Energy: 2.374925728888725
Energy: 2.289349392760625
Energy: 2.152265984925356
Energy: 2.3521508776776394
Energy: 2.117919924621114
Energy: 2.1512151152856185
Energy: 2.2997766331114953
Energy: 2.303017077926174
Energy: 2.300746434899952
Energy: 2.299564251530893
Energy: 2.3010142844713015
Energy: 2.1509944060778277
Energy: 2.2994507976823635
Energy: 2.1179497278309345
Energy: 2.119567327418814
Energy: 2.3745284119067986
Energy: 2.300636471184933
Energy: 2.1262917847946445
Energy: 2.2909823339154287
Energy: 2.4520504510710124
Energy: 2.118481988993823
Energy: 2.3639743238962425
Energy: 2.219658473593688
Energy: 2.127391274099369
Energy: 2.151243184426851
Energy: 2.4520514418688175
Energy: 2.1183060882990876
Energy: 2.4518611389194973
Energy: 2.1289810947428007
Energy: 2.241253031161736
Energy: 2.114029651136839
Energy: 2.117902379068414
Energy: 2.1189829903779667
Energy: 2.11404878978216
Energy: 2.40177643997688
Energy: 2.128680633674739
Energy: 2.682734351286578
Energy: 2.276989654194245
Energy: 2.1139738821561287
Energy: 2.2769310779506204
Energy: 2.399150890535921
Energy: 2.1279801520816983
Energy: 2.1275818673742206
Energy: 2.85991410060656
Energy: 2.124018700264399
Energy: 2.1286769098495832
Energy: 2.127637486841471
Energy: 2.114669737681495
Energy: 2.2770831949613943
Energy: 2.682841224668519
Energy: 2.1235279064029777
Energy: 2.399699729982316
Energy: 2.2767437046249226
Energy: 2.355120118260061
Energy: 2.1278030123331995
Energy: 2.267078646369931
Energy: 2.266918559637194
Energy: 2.115256634913101
Energy: 2.0978042678994844
Energy: 2.122518582367754
Energy: 2.6830178667052698
Energy: 2.128851397064838
Energy: 2.1272861636077143
Energy: 2.1282461222682483
Energy: 2.5775150676405527
Energy: 2.1142175932812854
Energy: 2.1146621754213832
Energy: 2.576414702368423
Energy: 2.098759996862885
Energy: 2.39957994562569
Energy: 2.118089446120693
Energy: 2.117455946569821
Energy: 2.1187376665322213
Energy: 2.4527302155088173
Energy: 2.0978134286819747
Energy: 2.3316749478187555
Energy: 2.1182453263900123
Energy: 2.123541823874549
Energy: 2.452031689446478
Energy: 2.128298603374037
Energy: 2.151617128592571
Energy: 2.2901819089793736
Energy: 2.45101331152455
Energy: 2.1188318962486945
Energy: 2.3758637872091164
Energy: 2.289657668606706
Energy: 2.118044861020073
Energy: 2.2894980761542234
Energy: 2.3174993901028436
Energy: 2.1514305547175483
Energy: 2.1177971240374998
Energy: 2.2999848321489837
Energy: 2.263662819314463
Energy: 2.299128782567707
Energy: 2.117520466207834
Energy: 2.1285565664650026
Energy: 2.2992330455203263
Energy: 2.1182671532227633
Energy: 2.1512650564760576
Energy: 2.485999296754405
Energy: 2.2996037001013927
Energy: 2.118788892098363
Energy: 2.291536603027005
Energy: 2.37544516767776
Energy: 2.118687883108125
Energy: 2.2908625342551585
Energy: 2.221681770364791
Energy: 2.1513396907676143
Energy: 2.1276916432326667
Energy: 2.4510931206109707
Energy: 2.1181266519978372
Energy: 2.4513926691173564
Energy: 2.1286677979843116
Energy: 2.1287391027279
Energy: 2.451965193274946
Energy: 2.1136225002718634
Energy: 2.117780853711589
Energy: 2.113720195044966
Energy: 2.452542443674371
Energy: 2.240620749266989
Energy: 2.399657559569992
Energy: 2.114890891208354
Energy: 2.1141366213229875
Energy: 2.1146392201776165
Energy: 2.4025552010508866
Energy: 2.127683226773652
Energy: 2.1273512303223265
Energy: 2.683071174586268
Energy: 2.1232594764475827
Energy: 2.3994484342090563
Energy: 2.1276572337853104
Energy: 2.1142272333616723
Energy: 2.1135181104136125
Energy: 2.3964870957686135
Energy: 2.1235900519083106
Energy: 2.1284565143032874
Energy: 2.113706872592633
Energy: 2.3534841217430125
Energy: 2.3994544822920685
Energy: 2.1142303682061874
Energy: 2.268540971968716
Energy: 2.114745434760329
Energy: 2.5765715283765904

minimum gb energy = 2.0978042678994844 eV
minimum distance =  2.42494263088396 Angstroms
sigma value = 101


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

Energy: 2.5273819611406476
Energy: 2.2079188547514894
Energy: 2.200282228603906
Energy: 2.201661977186721
Energy: 2.2005889166909505
Energy: 2.5864130419035702
Energy: 2.0407636050784483
Energy: 2.3651586691343045
Energy: 2.0507963223544405
Energy: 2.050159692491191
Energy: 2.3650202744761786
Energy: 2.1943227434803863
Energy: 2.0432498984494445
Energy: 2.0421489806543103
Energy: 2.5880956459683437
Energy: 2.589156304953907
Energy: 2.0425943177174437
Energy: 2.0429555795611742
Energy: 2.0425144856505435
Energy: 2.0429670448407595
Energy: 2.2450666722901804
Energy: 2.050054588706443
Energy: 2.4618147558036236
Energy: 2.043293120843007
Energy: 2.0237916263459654
Energy: 2.2510458970114033
Energy: 2.1326681373795697
Energy: 2.033027257985522
Energy: 2.13107409736325
Energy: 2.329616833703923
Energy: 2.042258604741052
Energy: 2.2907225825094293
Energy: 2.1312256498618725
Energy: 2.05597903572634
Energy: 2.3335827004968275
Energy: 2.0428012850192907
Energy: 2.0680477202931313
Energy: 2.230215097294722
Energy: 2.2905830805784952
Energy: 2.2904298912928502
Energy: 2.266522459989771
Energy: 2.2315977602972765
Energy: 2.0689653372439
Energy: 2.2311368159993257
Energy: 2.0294020470710223
Energy: 2.030657357146962
Energy: 2.338898151029495
Energy: 2.0535825702751698
Energy: 2.089236818368636
Energy: 2.23168461898744
Energy: 2.290591723482289
Energy: 2.0544883253928297
Energy: 2.2667300896955256
Energy: 2.2337263040569235
Energy: 2.0448633925651802
Energy: 2.0679141326564685
Energy: 2.2902217427895306
Energy: 2.054266282485298
Energy: 2.289037056415558
Energy: 2.042476107421214
Energy: 2.043760312900359
Energy: 2.130529523366174
Energy: 2.131918820884078
Energy: 2.1306814817127755
Energy: 2.1310900897020852
Energy: 2.4628107193309066
Energy: 2.157952384948771
Energy: 2.4622987765520223
Energy: 2.050246012532862
Energy: 2.054320160402436
Energy: 2.0548157983679225
Energy: 2.043515898336347
Energy: 2.0425831285931237
Energy: 2.0436865507611137
Energy: 2.0405946594380953
Energy: 2.1540190801258836
Energy: 2.0544820596487345
Energy: 2.0430827548337938
Energy: 2.040721295624507
Energy: 2.1947367042109365
Energy: 2.463404872937739
Energy: 2.153662530302138
Energy: 2.365344166276146
Energy: 2.041113787211804
Energy: 2.0465487361980026
Energy: 2.055386103703642
Energy: 2.049993649460683
Energy: 2.0504967435636265
Energy: 2.0505020633568165
Energy: 2.8317559126632204
Energy: 2.1679868459134872
Energy: 2.682490565314474
Energy: 2.1936410486468643
Energy: 2.0400804566374613
Energy: 2.0508470911644627
Energy: 2.0504795235157665
Energy: 2.2001746309964165
Energy: 2.0411308324267305
Energy: 2.049623956727013
Energy: 2.282540407433547
Energy: 2.0517331551586953
Energy: 2.200787180976992
Energy: 2.0509341685903983
Energy: 2.0517212189247953
Energy: 2.3646284322617133
Energy: 2.0237828659956607
Energy: 2.3644571095227547
Energy: 2.0505725680826874
Energy: 2.050703394599012
Energy: 2.372615207903038
Energy: 2.0434857539468734
Energy: 2.0429860668739885
Energy: 2.0438204767132224
Energy: 2.589107224323156
Energy: 2.2839851605107295
Energy: 2.462084698479095
Energy: 2.0431979515660723
Energy: 2.042436975561111
Energy: 2.0425815937165774
Energy: 2.0510222371910474
Energy: 2.0547278147090404
Energy: 2.1322063676378327
Energy: 2.4615695132241826
Energy: 2.3311824353352284
Energy: 2.250058438539682
Energy: 2.028875115786721
Energy: 2.030024129431152
Energy: 2.131811579041337
Energy: 2.2487851521038698
Energy: 2.043394404412049
Energy: 2.290128055763058
Energy: 2.132122514547976
Energy: 2.0540606006442723
Energy: 2.2924867075782167
Energy: 2.3298781011969183
Energy: 2.0695161956766124
Energy: 2.2308682156729622
Energy: 2.2898689372615633
Energy: 2.0549149419951966
Energy: 2.446714229594538
Energy: 2.2305223922091533
Energy: 2.0536362781302886
Energy: 2.2304153170325804
Energy: 2.054460204128966
Energy: 2.054413418672142
Energy: 2.2909451766826856
Energy: 2.231887501918645
Energy: 2.1689549139716604
Energy: 2.231256325447266
Energy: 2.053829031572662
Energy: 2.0539576771277495
Energy: 2.289296819837948
Energy: 2.0540602352787105
Energy: 2.069018046633735
Energy: 2.1716903572774053
Energy: 2.28961179450826
Energy: 2.0309248234525095
Energy: 2.131365618848886
Energy: 2.422089125774907
Energy: 2.158705899668069
Energy: 2.132033798408394
Energy: 2.130848882047344
Energy: 2.0544279324542885
Energy: 2.0497377918597657
Energy: 2.4614165713932263
Energy: 2.043869467998072
Energy: 2.4613031303945427
Energy: 2.0579887680227706
Energy: 2.1539162350503194
Energy: 2.0440339723409005
Energy: 2.0533581820387474
Energy: 2.1593977031741223
Energy: 2.0414843392650095
Energy: 2.4635956378678063
Energy: 2.153999114488544
Energy: 2.367696337012912
Energy: 2.0417097961439663
Energy: 2.0403632240480816
Energy: 2.0335161135734405
Energy: 2.3657684955326252
Energy: 2.0500386185048765
Energy: 2.05046278275763
Energy: 2.3764701088982747
Energy: 2.1679848831978106
Energy: 2.371835707241832
Energy: 2.0499470513528637
Energy: 2.04031661174277
Energy: 2.0508717449897715
Energy: 2.373003738331983
Energy: 2.046983879580091
Energy: 2.0552753475746943
Energy: 2.041258432405436
Energy: 2.2812259534425587
Energy: 2.3770298011032907
Energy: 2.0418018962179296
Energy: 2.0412680223091906
Energy: 2.051382757894801
Energy: 2.5877897488832367

minimum gb energy = 2.0237828659956607 eV
minimum distance =  2.429081116631 Angstroms
sigma value = 33


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

Energy: 0.0195663901072478