Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665000349283223
cohesive_energy=4.280336677243816
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013154010282924327
Energy: 0.013337108703263828
Energy: 2.5037909358991555
Energy: 0.013337108703263828
Energy: 0.013337108703263828
Energy: 0.013459291874277109
Energy: 0.43363040202146264
Energy: 0.013459291874277109
Energy: 2.5037909358971877
Energy: 0.43363040202146264
Energy: 0.43359570681163256
Energy: 0.43363040202146264
Energy: 0.013337108703263828
Energy: 0.013459291874277109
Energy: 0.43363040202146264
Energy: 0.013459291874277109

minimum gb energy = 0.013154010282924327 eV
minimum distance =  2.47933946382766 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4991862076652194
Energy: 0.9710022504695607
Energy: 2.2655925880527783
Energy: 0.9710022479554863
Energy: 1.488384922770041
Energy: 0.9501635892811373
Energy: 0.9546939526288303
Energy: 0.9501635892823471
Energy: 1.5815703464583182
Energy: 0.9566997189061298
Energy: 0.9443508809446621
Energy: 0.9566997189037101
Energy: 1.3172852295534645
Energy: 0.9533196930832373
Energy: 0.9587485415839583
Energy: 0.9533196930759784
Energy: 1.3377810993073416
Energy: 0.9538991882775115
Energy: 1.337402910020293
Energy: 0.9538991882799313
Energy: 1.4813732282875929
Energy: 0.9452664462531882
Energy: 0.9600674765939136
Energy: 0.9452664462568177
Energy: 1.1173854061710682
Energy: 1.0067602542605645
Energy: 0.9447097341596375
Energy: 1.0067602542593548
Energy: 0.9530931529021033
Energy: 0.9419452880621093
Energy: 1.3427805631955134
Energy: 0.9419452880621093
Energy: 1.1217926003745473
Energy: 0.9428322787335051
Energy: 1.3115703983796143
Energy: 0.942832278727456
Energy: 1.5157326501690134
Energy: 0.9491851510918851
Energy: 1.1843014032441015
Energy: 0.9491851510918851
Energy: 0.9664145963420825
Energy: 1.0159944844378257
Energy: 1.3070932566938764
Energy: 1.0159944844378257
Energy: 0.9452682808861057
Energy: 0.9474164487461327
Energy: 1.8683600248857986
Energy: 0.9474164487461327
Energy: 1.142036239051191
Energy: 1.0144778305557671
Energy: 1.3340005946479034
Energy: 1.0144778305569768
Energy: 0.954159879196879
Energy: 1.014544355017417
Energy: 1.3633560574938939
Energy: 1.0145443550162072
Energy: 0.9523141308798334
Energy: 0.9420082342326309
Energy: 1.4830993400106636
Energy: 0.9420082342374703
Energy: 0.951107386409061
Energy: 0.9417189727676218
Energy: 1.47996852644991
Energy: 0.9417189727688317
Energy: 0.9554320149241935
Energy: 0.9527587855850664
Energy: 1.379133932560959
Energy: 0.9527587855475627
Energy: 1.13361424250429
Energy: 1.0144972298450605
Energy: 1.3276209368586946
Energy: 1.014497229842641
Energy: 0.9447621694368408
Energy: 0.9605537611722837
Energy: 1.7062778868706336
Energy: 0.9605537611674447
Energy: 0.9647664181474981
Energy: 1.0166789850353262
Energy: 1.139818981442438
Energy: 1.0166789850329068
Energy: 1.5068075371789669
Energy: 0.945249248094456
Energy: 1.160407717423561
Energy: 0.9452492481029245
Energy: 1.1197634620685681
Energy: 0.9529060793085646
Energy: 1.3159499322010226
Energy: 0.9529060793121941
Energy: 1.1531058524214788
Energy: 0.9421324239617238
Energy: 1.1261448670005418
Energy: 0.9421324239629336
Energy: 1.316892776957597
Energy: 1.0070443220852605
Energy: 0.9443861518013215
Energy: 1.0070443220852605
Energy: 1.4846158313312332
Energy: 0.9448990302345078
Energy: 0.9677587581055539
Energy: 0.9448990302332981
Energy: 1.3288349075673893
Energy: 0.9531742451072543
Energy: 1.3226654940875306
Energy: 0.9531742451229819
Energy: 1.32272161734854
Energy: 0.9526647186589043
Energy: 0.9524229210094045
Energy: 0.9526647186589043
Energy: 1.665008425249501
Energy: 0.9579289543402858
Energy: 0.9443175885862147
Energy: 0.9579289543548033
Energy: 1.4905454751484886
Energy: 0.9539008443001732
Energy: 0.9546144177922631
Energy: 0.9539008442977537
Energy: 1.3965356362042427
Energy: 0.9707037571009829
Energy: 0.9742192802379293
Energy: 0.970703754250749
Energy: 1.4863236475285349
Energy: 0.9502336766497136
Energy: 0.9488573851726159
Energy: 0.950233676652133
Energy: 1.4926044469153013
Energy: 0.9420490952536037
Energy: 0.9451661300265972
Energy: 0.9420490952560231
Energy: 1.318305403399393
Energy: 0.953060471327914
Energy: 0.9562283056612827
Energy: 0.9530604713291239

minimum gb energy = 0.9417189727676218 eV
minimum distance =  2.3528282196336 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.6160119871038012
Energy: 1.0073671677348524
Energy: 2.308234178435101
Energy: 1.0073671697120115
Energy: 1.3841828766739752
Energy: 1.0595004595327526
Energy: 1.0261366387018669
Energy: 1.0595004595355113
Energy: 1.3792564886401002
Energy: 0.9990439132734747
Energy: 1.005526487735247
Energy: 0.9990439132734747
Energy: 0.9878817138623084
Energy: 1.0534602441933
Energy: 1.0224478663824537
Energy: 1.0534602441933
Energy: 0.9881511219907352
Energy: 0.9810604601801944
Energy: 1.4277608551864287
Energy: 0.9810604601788151
Energy: 1.38060848652415
Energy: 0.9831077304352808
Energy: 0.9806583458892911
Energy: 0.9831077304366602
Energy: 0.981500715484836
Energy: 1.0596468776818473
Energy: 0.9808194179136843
Energy: 1.0596468776818473
Energy: 0.9801317087487091
Energy: 0.9813417928471768
Energy: 1.4213154667996102
Energy: 0.9813417928416593
Energy: 0.9813548383037866
Energy: 0.9892238058332045
Energy: 1.37938308525221
Energy: 0.9892238058345839
Energy: 1.0232644393843424
Energy: 0.9897187228012326
Energy: 0.9876189181581525
Energy: 0.9897187227970945
Energy: 0.9817426864700423
Energy: 0.9812313071592199
Energy: 1.3799151120532698
Energy: 0.9812313071551132
Energy: 0.9812082181715185
Energy: 0.9810279220402393
Energy: 1.7767026195024258
Energy: 0.9810279220402393
Energy: 1.0230585333947417
Energy: 0.9882864804249165
Energy: 1.405269576601119
Energy: 0.9882864804249165
Energy: 1.0230585333975006
Energy: 0.9881386830807004
Energy: 1.3886208446334196
Energy: 0.9881386830807004
Energy: 0.9812610643743075
Energy: 0.9804001688819209
Energy: 1.7762543314661263
Energy: 0.9804001688819209
Energy: 0.9813646939992968
Energy: 0.9806508907058517
Energy: 1.3789095917100072
Energy: 0.9806508907030929
Energy: 1.0232644393857218
Energy: 0.9890123582452046
Energy: 0.9875629612075569
Energy: 0.9890123582465841
Energy: 0.981769438098977
Energy: 0.9890287271817088
Energy: 1.379986600639769
Energy: 0.9890287271817088
Energy: 0.9801640142650402
Energy: 0.9818950464074113
Energy: 1.421315466809266
Energy: 0.9818950464060319
Energy: 0.9815482382081856
Energy: 1.060194288362743
Energy: 0.9808173503915244
Energy: 1.060194288362743
Energy: 1.3791540229977295
Energy: 0.9810448784893516
Energy: 0.9805824504708373
Energy: 0.9810448784879722
Energy: 0.9881208018479617
Energy: 0.9820007510164962
Energy: 1.4277608551878083
Energy: 0.9820007510164962
Energy: 0.9881183114730508
Energy: 1.0531661200298357
Energy: 1.0224478663810743
Energy: 1.0531661200284563
Energy: 1.3809162192208522
Energy: 0.999990097643804
Energy: 1.0054665326813683
Energy: 0.9999900976424245
Energy: 1.385730060297359
Energy: 1.0591782544678128
Energy: 1.0261366387004873
Energy: 1.0591782544664334
Energy: 1.6160119871024214
Energy: 1.0073671696789062
Energy: 2.3082341784364804
Energy: 1.0073671690543275
Energy: 1.3841828766712165
Energy: 1.0595004595327526
Energy: 1.0261366387004873
Energy: 1.059500459534132
Energy: 1.3792564886345826
Energy: 0.9990439132720953
Energy: 1.005526487735247
Energy: 0.9990439132734747
Energy: 0.987881713863688
Energy: 1.0534602441933
Energy: 1.0224478663852126
Energy: 1.0534602441919207

minimum gb energy = 0.9801317087487091 eV
minimum distance =  2.34932483193941 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.4385838576268852
Energy: 1.063235032032228
Energy: 2.2800712844006243
Energy: 1.0632350320498665
Energy: 1.5005996197304672
Energy: 1.0543612348448221
Energy: 1.09081681142975
Energy: 1.0543612348432188
Energy: 1.4925107217729743
Energy: 1.046355303721477
Energy: 1.045626231052808
Energy: 1.0463553037230804
Energy: 1.2532891127238688
Energy: 1.0435838816583156
Energy: 1.0862601305694728
Energy: 1.043583881656712
Energy: 1.2549236057796582
Energy: 1.0432881023434972
Energy: 1.2564317829587557
Energy: 1.043288102346704
Energy: 1.4936671265509815
Energy: 1.054575024083493
Energy: 1.0537551473592341
Energy: 1.0545750240850962
Energy: 1.0897701763131749
Energy: 1.042231418949991
Energy: 1.0537603459675868
Energy: 1.0422314189515947
Energy: 1.043601482276804
Energy: 1.0605848530035729
Energy: 1.5173669144632589
Energy: 1.060584852995555
Energy: 1.0599444058786893
Energy: 1.1276998065656185
Energy: 1.2678180790527025
Energy: 1.1276998065672221
Energy: 1.071976983517043
Energy: 1.059613355335469
Energy: 1.3243063219895936
Energy: 1.059613355335469
Energy: 1.068710119127181
Energy: 1.1306492157915269
Energy: 1.4867752851059397
Energy: 1.1306492157915269
Energy: 1.0887797745987493
Energy: 1.0603518489833255
Energy: 1.4885459651342168
Energy: 1.0603518489833255
Energy: 1.0705145823674793
Energy: 1.059646883285593
Energy: 1.3341352173496592
Energy: 1.059646883285593
Energy: 1.060725899062259
Energy: 1.1258070575777783
Energy: 1.3024618703658746
Energy: 1.1258070575777783
Energy: 1.0488180373512386
Energy: 1.0609755382221346
Energy: 1.7487343010647383
Energy: 1.0609755382205313
Energy: 1.0592130442708174
Energy: 1.0424217334949606
Energy: 1.0536094091160553
Energy: 1.0424217334981312
Energy: 1.7579383764162553
Energy: 1.0549180171658492
Energy: 1.0540125418671802
Energy: 1.0549180171658492
Energy: 1.252566602704877
Energy: 1.0423905220711918
Energy: 1.2568017017847046
Energy: 1.0423905220711918
Energy: 1.3152291478079483
Energy: 1.044016216333975
Energy: 1.0908193651369549
Energy: 1.0440162163355786
Energy: 1.2499378408470903
Energy: 1.053851554586527
Energy: 1.0465788073403726
Energy: 1.053851554586527
Energy: 1.4997098936790898
Energy: 1.0552897381413262
Energy: 1.045257021145532
Energy: 1.0552897381413262
Energy: 1.36399849157635
Energy: 1.059363204818342
Energy: 1.091471203520724
Energy: 1.0593632048199457
Energy: 1.5031258428216245
Energy: 1.1397186547144624
Energy: 1.0844270932654678
Energy: 1.1397186547176694
Energy: 1.4975494488799754
Energy: 1.0466337267085821
Energy: 1.0470019324632716
Energy: 1.0466337267085821
Energy: 1.2521509129747321
Energy: 1.0424924571534977
Energy: 1.0456054147589326
Energy: 1.0424924571534977

minimum gb energy = 1.042231418949991 eV
minimum distance =  2.35271070523778 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.103742189880504
Energy: 1.1027715171327348
Energy: 2.352209816040287
Energy: 1.1027715171222143
Energy: 1.1557887135454856
Energy: 1.0949060496328582
Energy: 1.0950127844308035
Energy: 1.0949060496330536
Energy: 1.0944561088900704
Energy: 1.125031603116638
Energy: 1.1261578730847601
Energy: 1.1250316031170295
Energy: 1.0936836723267
Energy: 1.0937416652104652
Energy: 1.0942136413469836
Energy: 1.0937416652102696
Energy: 1.0941131438482596
Energy: 1.093592487822279
Energy: 1.093423335693876
Energy: 1.0935924878194097
Energy: 1.6908054832730761
Energy: 1.0947950062646057
Energy: 1.0963878634940485
Energy: 1.0947950062646057
Energy: 1.094492602514508
Energy: 1.0945868959507454
Energy: 1.0934084579083452
Energy: 1.0945868959513105
Energy: 1.0934180989930944
Energy: 1.0934944150510322
Energy: 1.5702227588980826
Energy: 1.0934944150508368
Energy: 1.223555932496157
Energy: 1.0941859738358546
Energy: 1.1023345254368475
Energy: 1.0941859738368112
Energy: 1.2189700577668974
Energy: 1.1029848314748936
Energy: 1.1025844771376612
Energy: 1.102984831474698
Energy: 1.0942637126670463
Energy: 1.1898250119911338
Energy: 1.5718096307960023
Energy: 1.1898250119911338
Energy: 1.09329198852501
Energy: 1.1030307419606602
Energy: 1.093647673670097
Energy: 1.1030307419618122
Energy: 1.220052572927676
Energy: 1.0937607901280084
Energy: 1.0934229613767121
Energy: 1.0937607901412028
Energy: 1.1265337000967766
Energy: 1.1957471382513147
Energy: 1.126530996521589
Energy: 1.1957471382520972
Energy: 1.0934059447695916
Energy: 1.093457256335114
Energy: 1.2200525729326537
Energy: 1.093457256335114
Energy: 1.0937629261400823
Energy: 1.1021943509571557
Energy: 1.0934525822052026
Energy: 1.1021943509556342
Energy: 1.5713290574972332
Energy: 1.1896312014442272
Energy: 1.0942173334395406
Energy: 1.1896312014442272
Energy: 1.1025500206388636
Energy: 1.1030110176472665
Energy: 1.2189700577670712
Energy: 1.103011017646875
Energy: 1.1023785711729273
Energy: 1.0940270667986791
Energy: 1.2235559324982657
Energy: 1.094027066798114
Energy: 1.5692787528112229
Energy: 1.094337748575079
Energy: 1.093404564273214
Energy: 1.0943377485733616
Energy: 1.0934295994817338
Energy: 1.093947151939867
Energy: 1.09510855726722
Energy: 1.0939471519387365

minimum gb energy = 1.09329198852501 eV
minimum distance =  2.34133027664239 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2462486270009858
Energy: 1.2963597297106133
Energy: 2.2273830391892195
Energy: 1.296359729699726
Energy: 1.3860710043288504
Energy: 1.2510869837221166
Energy: 1.15307219893915
Energy: 1.25108698372166
Energy: 1.2353242195313945
Energy: 1.1530840898947634
Energy: 1.1534381266431917
Energy: 1.1530840898947634
Energy: 1.14323638351517
Energy: 1.2341455957669751
Energy: 1.1536332587128755
Energy: 1.234145596545158
Energy: 1.233203185221566
Energy: 1.2507140521086255
Energy: 1.4203847437989148
Energy: 1.2507140521081417
Energy: 1.4830464164958996
Energy: 1.218802361864159
Energy: 1.2187016915346156
Energy: 1.2188023618650998
Energy: 1.2198668325227737
Energy: 1.2655740012973558
Energy: 1.2175328802565557
Energy: 1.2655740016440005
Energy: 1.2331201321116654
Energy: 1.2089304149858762
Energy: 1.4097736156544307
Energy: 1.2089304149849354
Energy: 1.2102934063333177
Energy: 1.2229353096742177
Energy: 1.2241698399520322
Energy: 1.2229353096742177
Energy: 1.2378120818618605
Energy: 1.219160136017674
Energy: 1.2186581715710227
Energy: 1.2191601360155235
Energy: 1.2362015454464306
Energy: 1.2423131773912262
Energy: 1.5351863943385435
Energy: 1.2423131773914413
Energy: 1.2331816477613489
Energy: 1.3079038419970732
Energy: 1.1591169231486425
Energy: 1.3079038419956484
Energy: 1.483473025329971
Energy: 1.1587294776294972
Energy: 1.1601098004687687
Energy: 1.1587294776287715
Energy: 1.5198806945514463
Energy: 1.252523872134349
Energy: 1.2934696739601945
Energy: 1.2525238721345908
Energy: 1.3941749240444525
Energy: 1.2507293644501223
Energy: 1.2976656774467688
Energy: 1.2507293644498805
Energy: 1.3919907667868987
Energy: 1.1879193520539915
Energy: 1.157770930824188
Energy: 1.1879193521790739
Energy: 1.2334873924504717
Energy: 1.2506579628349328
Energy: 1.160102953689312
Energy: 1.2506579628370564

minimum gb energy = 1.14323638351517 eV
minimum distance =  2.33563674237392 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.608889210436894
Energy: 1.3279839452979671
Energy: 2.1267304567174405
Energy: 1.3279839455135796
Energy: 1.3444458261730865
Energy: 1.264679612213989
Energy: 1.2273179682306399
Energy: 1.264679612215329
Energy: 1.3037666277622475
Energy: 1.2222857080349656
Energy: 1.193638798144243
Energy: 1.2222857080336258
Energy: 1.208126922263234
Energy: 1.2094882423005007
Energy: 1.2279886315184578
Energy: 1.2094882423446829
Energy: 1.217164458468485
Energy: 1.2644610167701542
Energy: 1.3886324815152875
Energy: 1.2644610167688146
Energy: 1.391304453108095
Energy: 1.2980737348968863
Energy: 1.2829924035055458
Energy: 1.298073734673235
Energy: 1.2467211161310707
Energy: 1.2098148877433996
Energy: 1.420982750366986
Energy: 1.2098148877433996
Energy: 1.2047375866398433
Energy: 1.2240001122625934
Energy: 1.3975297823834127
Energy: 1.2240001123268722
Energy: 1.2094301538962933
Energy: 1.273372833678769
Energy: 1.2075222118159903
Energy: 1.273372833680109
Energy: 1.3848596503313542
Energy: 1.2091559725898389
Energy: 1.2748440129748835
Energy: 1.2091559725898389
Energy: 1.2703625609588909
Energy: 1.2760352958836283
Energy: 1.3980786691394824
Energy: 1.2760353026424656
Energy: 1.2783335457998537
Energy: 1.3008488466505617
Energy: 1.2231466124929347
Energy: 1.300848846649222
Energy: 1.384604598385729
Energy: 1.2275874252033063
Energy: 1.223540662250754
Energy: 1.2275874252033063
Energy: 1.2710805864662658
Energy: 1.275394230734826
Energy: 1.2297056147681713
Energy: 1.2753942307133896
Energy: 1.2770725468049389
Energy: 1.2142435180891753
Energy: 1.3590839139131121
Energy: 1.2142435180985538
Energy: 1.4142160549561942
Energy: 1.3036102267525114
Energy: 1.2064867957354843
Energy: 1.3036102267833263
Energy: 1.203629641314281
Energy: 1.2731377055975308
Energy: 1.2802034218698384
Energy: 1.273137705596191
Energy: 1.2027622908356133
Energy: 1.2449135495610604
Energy: 1.3516652532642734
Energy: 1.244913549558381
Energy: 1.245698639420021
Energy: 1.2972087778798687
Energy: 1.358694421759994
Energy: 1.2972087778798687
Energy: 1.3890966759155101
Energy: 1.2082261927500781
Energy: 1.423402276279481
Energy: 1.2082261927460587
Energy: 1.2076004633488622
Energy: 1.2967771522981986
Energy: 1.3916925191885705
Energy: 1.2967771523062372
Energy: 1.209422674441485
Energy: 1.3032048894120218
Energy: 1.2220294577829531
Energy: 1.303204889410682
Energy: 1.373072882840413
Energy: 1.221625172547697
Energy: 1.220123061171174
Energy: 1.221625172549037
Energy: 1.4362062664550774
Energy: 1.223962737495032
Energy: 1.3104408914209726
Energy: 1.2239627376516944
Energy: 1.4416232881382685
Energy: 1.2086861264003792
Energy: 1.3117194333010773
Energy: 1.2086861264030586
Energy: 1.381598410919341
Energy: 1.220094895332386
Energy: 1.2216507445685174
Energy: 1.2200948953310464
Energy: 1.2117379909348729
Energy: 1.3017895738017224
Energy: 1.220733420685777
Energy: 1.301789573805742
Energy: 1.2064232472012895
Energy: 1.2063879081072624
Energy: 1.3952003497961225
Energy: 1.206387908103243
Energy: 1.2902907775395227
Energy: 1.2106495817461456
Energy: 1.4208594825564385
Energy: 1.210649581748825
Energy: 1.2486292616015233
Energy: 1.2081933379169374
Energy: 1.2830147973578159
Energy: 1.2081933379798766

minimum gb energy = 1.193638798144243 eV
minimum distance =  2.33872405089543 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.217385661401735
Energy: 1.2742648649362425
Energy: 2.163573070472736
Energy: 1.274264864935927
Energy: 1.1853406843800658
Energy: 1.2565614223941222
Energy: 1.206757618788282
Energy: 1.2565614223888997
Energy: 1.1898264131653458
Energy: 1.2008257097725938
Energy: 1.2018591339991929
Energy: 1.2008257097596604
Energy: 1.2019306903136255
Energy: 1.2013934471824315
Energy: 1.1860989697957978
Energy: 1.2013934472561414
Energy: 1.206883062260914
Energy: 1.2561046411660937
Energy: 1.1852206980468882
Energy: 1.2561046411658134
Energy: 2.1635730704730514
Energy: 1.2742648649362425
Energy: 1.217385661401104
Energy: 1.2742648649362425
Energy: 1.2067576187904199
Energy: 1.2565614223882688
Energy: 1.1853406843791543
Energy: 1.2565614223882688
Energy: 1.2018591339997886
Energy: 1.2008257097547184
Energy: 1.189826407553005
Energy: 1.200825709763656
Energy: 1.1860478929537817
Energy: 1.2013934471784355
Energy: 1.2019306903136255
Energy: 1.201393447269986
Energy: 1.185220698048746
Energy: 1.256104641165498
Energy: 1.206883062070978
Energy: 1.2561046411658134
Energy: 1.2173856614038732
Energy: 1.274264864935927
Energy: 2.1635730704699667
Energy: 1.2742648649362425
Energy: 1.1853406843794347
Energy: 1.2565614223904418
Energy: 1.206757618793189
Energy: 1.25656142240306
Energy: 1.1898264053702334
Energy: 1.200825709764883
Energy: 1.2018591339991929
Energy: 1.2008257097556645

minimum gb energy = 1.1852206980468882 eV
minimum distance =  2.3477517885057 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4348307027769016
Energy: 1.2866986441938122
Energy: 2.043005504683593
Energy: 1.2866986441972368
Energy: 1.5321758146708493
Energy: 1.3482966084203776
Energy: 1.327059308200343
Energy: 1.3482966084203776
Energy: 1.2921622168246263
Energy: 1.3448076668132751
Energy: 1.2810121528783507
Energy: 1.3448076668132751
Energy: 1.2693623943085768
Energy: 1.295334701435882
Energy: 1.3276799934446752
Energy: 1.2953347014347403
Energy: 1.2914586683628504
Energy: 1.2793707894214466
Energy: 1.5253434625657498
Energy: 1.2793707893986148
Energy: 1.5037227332624326
Energy: 1.4008167030120011
Energy: 1.416754835077868
Energy: 1.4008167030165677
Energy: 1.321054835739785
Energy: 1.326545886936672
Energy: 1.5210420163221021
Energy: 1.326545886938955
Energy: 1.275053227380604
Energy: 1.3295555973073363
Energy: 1.2876003576701232
Energy: 1.329555597285646
Energy: 1.3194919008844124
Energy: 1.282962975716955
Energy: 1.2823054422417963
Energy: 1.2829629757135301
Energy: 1.4091267478132348
Energy: 1.2934129293478627
Energy: 1.3079044702094516
Energy: 1.2934129293455796
Energy: 1.306914307257536
Energy: 1.316910296243329
Energy: 1.4829225314116952
Energy: 1.3169102962330548
Energy: 1.4901690439382085
Energy: 1.3417139116165835
Energy: 1.316974809978447
Energy: 1.341713911617725
Energy: 1.3112319369884406
Energy: 1.3317591052408353
Energy: 1.3009859700710344
Energy: 1.3317591052465434
Energy: 1.2927061274108627
Energy: 1.294260760934273
Energy: 1.4202680730118045
Energy: 1.2942607608794767
Energy: 1.2902570533189834
Energy: 1.3299094846301234
Energy: 1.307974826558647
Energy: 1.3299094846301234
Energy: 1.488520816992263
Energy: 1.3345729032702083
Energy: 1.300356026126598
Energy: 1.3345729032645004
Energy: 1.40500769065379
Energy: 1.3379253048245925
Energy: 1.5007078341878994
Energy: 1.3379253048325837
Energy: 1.3051789589241833
Energy: 1.3318157371573232
Energy: 1.32015691036479
Energy: 1.3318157371607477
Energy: 1.5125719562395195
Energy: 1.2885154375597554
Energy: 1.287732630243188
Energy: 1.2885154375574723
Energy: 1.3097263903417595
Energy: 1.3128042698671334
Energy: 1.2839803398460727
Energy: 1.3128042699242128
Energy: 1.2774362201380343
Energy: 1.3392908807732011
Energy: 1.313784831557937
Energy: 1.3392908807732011
Energy: 1.440070815386939
Energy: 1.2863969200703866
Energy: 1.4092672184930501
Energy: 1.2863969200703866
Energy: 1.354576009502594
Energy: 1.3129200800734704
Energy: 1.4090628306383395
Energy: 1.3129200800677625
Energy: 1.2974479568698813
Energy: 1.3207353333482337
Energy: 1.4531571412047382
Energy: 1.3207353333539416
Energy: 1.2734936889725967
Energy: 1.3326895289846707
Energy: 1.2863125567299902
Energy: 1.3326895289801046
Energy: 1.446070646979693
Energy: 1.3456092136637465
Energy: 1.283305338559269
Energy: 1.3456092136717377
Energy: 1.4870807247902924
Energy: 1.3084467647654827
Energy: 1.4547649808113285
Energy: 1.3084467645874471
Energy: 1.4209421056131926
Energy: 1.3384478035983483
Energy: 1.4548969949846215
Energy: 1.3384478037477925
Energy: 1.481877530326874
Energy: 1.3265562191172409
Energy: 1.285757744595813
Energy: 1.3265562191081082
Energy: 1.2766646352121984
Energy: 1.3253963912531168
Energy: 1.2834925738569036
Energy: 1.3253963912553999
Energy: 1.2972324324173647
Energy: 1.3235117014270263
Energy: 1.4902013148591646
Energy: 1.3235117014270263
Energy: 1.3504409074162171
Energy: 1.2982382787103024
Energy: 1.407724613988706
Energy: 1.2982382787023112
Energy: 1.4974127629647556
Energy: 1.280580067110953
Energy: 1.4066127497581555
Energy: 1.2805800671098115
Energy: 1.279607066922001
Energy: 1.3412333650224542
Energy: 1.3171727377317606
Energy: 1.341233365023596
Energy: 1.3093652851706783
Energy: 1.3121355981103286
Energy: 1.2849859068352323
Energy: 1.3121355981091873

minimum gb energy = 1.2693623943085768 eV
minimum distance =  2.32302610248737 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4730556125280727
Energy: 1.3218535946993335
Energy: 2.0969488887823924
Energy: 1.3218535947205126
Energy: 1.4574750781383463
Energy: 1.3377896383777472
Energy: 1.3134035637309567
Energy: 1.3377896383784675
Energy: 1.286588904593364
Energy: 1.329538324325976
Energy: 1.2594037594861662
Energy: 1.3295383243181755
Energy: 1.286249867201061
Energy: 1.2939988839156153
Energy: 1.3126988887779838
Energy: 1.2939988839147096
Energy: 1.3609344169912438
Energy: 1.29497265240397
Energy: 1.4569017249315757
Energy: 1.2949726524025291
Energy: 1.6136791804568422
Energy: 1.292341289341305
Energy: 1.296556344344771
Energy: 1.292341289340029
Energy: 1.3081936276675465
Energy: 1.350512959192274
Energy: 1.4582024982272632
Energy: 1.3505129591931797
Energy: 1.2924517396790305
Energy: 1.3032220374838746
Energy: 1.3529448653022207
Energy: 1.3032220374793464
Energy: 1.483028790420132
Energy: 1.3243289178662307
Energy: 1.311477387829641
Energy: 1.3243289178666011
Energy: 1.2925960817666216
Energy: 1.3217493492395815
Energy: 1.3140357603422068
Energy: 1.3217493492375851
Energy: 1.2913828655873265
Energy: 1.2933476563706687
Energy: 1.5898987054020912
Energy: 1.293347656371019
Energy: 1.4962877552515934
Energy: 1.2923934999097861
Energy: 1.453568327254667
Energy: 1.2923934999076248
Energy: 1.358463884115587
Energy: 1.2986021576361686
Energy: 1.2964822553228657
Energy: 1.298602157644854
Energy: 1.29729372851878
Energy: 1.2942189551771202
Energy: 1.5870122654300869
Energy: 1.2942189551763996
Energy: 1.2894855237244074
Energy: 1.2928652425024736
Energy: 1.2924987479845287
Energy: 1.292865242486358
Energy: 1.3624791029037895
Energy: 1.322433451191116
Energy: 1.2603414598974012
Energy: 1.3224334511916718
Energy: 1.4565328213339122
Energy: 1.297783276642857
Energy: 1.5449729932982155
Energy: 1.2977832766417867
Energy: 1.4587440579695221
Energy: 1.3056576713092536
Energy: 1.5477886761043733
Energy: 1.3056576713098091
Energy: 1.5101536210600057
Energy: 1.3232549810021375
Energy: 1.29451826407099
Energy: 1.323254981001232
Energy: 1.2870352559404192
Energy: 1.2979127718524626
Energy: 1.2600781110117036
Energy: 1.2979127718531829
Energy: 1.3013142699369122
Energy: 1.3002457042546487
Energy: 1.5876925993341418
Energy: 1.300245704255019
Energy: 1.359744444381218
Energy: 1.305108944645714
Energy: 1.3002081940180756
Energy: 1.3051089443540664

minimum gb energy = 1.2594037594861662 eV
minimum distance =  2.32143028537618 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.7160762915189915
Energy: 1.3129761005091416
Energy: 2.082982145491212
Energy: 1.3129761005117033
Energy: 1.568713634799523
Energy: 1.3397453172006635
Energy: 1.351195179639759
Energy: 1.339745317196821
Energy: 1.3042601958617246
Energy: 1.3740563615766455
Energy: 1.3601768911676566
Energy: 1.3740563615792067
Energy: 1.2851190288755212
Energy: 1.281986039884803
Energy: 1.3549995600816496
Energy: 1.2819860398694343
Energy: 1.3347325904978244
Energy: 1.3096605611609717
Energy: 1.35540681033974
Energy: 1.30966056115841
Energy: 1.595032497234181
Energy: 1.3477627081396975
Energy: 1.3425069044488847
Energy: 1.3477627081345747
Energy: 1.3594746244234457
Energy: 1.3366900089283675
Energy: 1.554391855471129
Energy: 1.336690008927087
Energy: 1.3416812486157033
Energy: 1.3455025751875311
Energy: 1.3965287435021025
Energy: 1.345502575188812
Energy: 1.6031886097856272
Energy: 1.3006167345981272
Energy: 1.3006688333183871
Energy: 1.3006167345558632
Energy: 1.3578824270075178
Energy: 1.2908063777131749
Energy: 1.2856570756403694
Energy: 1.2908063777106134
Energy: 1.356676337125262
Energy: 1.3554174203716989
Energy: 1.449867000676436
Energy: 1.3554174203716989
Energy: 1.5376529615650814
Energy: 1.276758629459179
Energy: 1.5002948258201592
Energy: 1.2767586286488286
Energy: 1.536785866915278
Energy: 1.2821328247978472
Energy: 1.5121099794122255
Energy: 1.2821328267500813
Energy: 1.3588176093414197
Energy: 1.3561201580339586
Energy: 1.5424307598721354
Energy: 1.3561201580352393
Energy: 1.3567319476094584
Energy: 1.286491359709434
Energy: 1.2953813178305358
Energy: 1.2864913597196799
Energy: 1.5824332020074356
Energy: 1.3889257280638643
Energy: 1.3128623617788067
Energy: 1.3889257280638643
Energy: 1.3440615277407493
Energy: 1.367171869066412
Energy: 1.392415306167556
Energy: 1.3671718690676928
Energy: 1.347477869080031
Energy: 1.2911168890288391
Energy: 1.588619131445822
Energy: 1.2911168890198739
Energy: 1.5863238663450903
Energy: 1.3474767875427929
Energy: 1.3467553137101629
Energy: 1.3474767875427929
Energy: 1.3363385213239776
Energy: 1.3021784334793236
Energy: 1.3479685623740814
Energy: 1.302178434392074
Energy: 1.2827478510777415
Energy: 1.2999469185982324
Energy: 1.3487847259436434
Energy: 1.2999469185982324
Energy: 1.313530025073479
Energy: 1.358611945100341
Energy: 1.3574744703591104
Energy: 1.3586119450990604
Energy: 1.5631828265288843
Energy: 1.3646955560048792
Energy: 1.3637453003727618
Energy: 1.3646955560074405
Energy: 1.6188022562426068
Energy: 1.2950972900239273
Energy: 1.584028551316735
Energy: 1.2950972900239273
Energy: 1.5724827087966462
Energy: 1.2826972681900266
Energy: 1.349176255591584
Energy: 1.282697269092531
Energy: 1.3354192822062028
Energy: 1.384640006500567
Energy: 1.3557788465587342
Energy: 1.3846400065069415
Energy: 1.2825418270458229
Energy: 1.284272238401952
Energy: 1.3627154643185375
Energy: 1.2842722392263906
Energy: 1.3370360341718162
Energy: 1.2960922331134284
Energy: 1.5794183969425544
Energy: 1.2960922332376006
Energy: 1.3642582980524125
Energy: 1.3567049605185402
Energy: 1.3429286944218233
Energy: 1.3567049605185402
Energy: 1.5776023739500342
Energy: 1.3343414560623195
Energy: 1.5782893947126404
Energy: 1.334341456059758
Energy: 1.3426231153842785
Energy: 1.3571307451782053
Energy: 1.3895339039377488
Energy: 1.3571307451756436

minimum gb energy = 1.2767586286488286 eV
minimum distance =  2.32303759224741 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1569420483735615
Energy: 1.1930771452124567
Energy: 2.155042612460897
Energy: 1.1930771452072022
Energy: 1.5566300753125828
Energy: 1.2155588973379736
Energy: 1.1608689433529262
Energy: 1.2155588973371063
Energy: 1.3984467661569313
Energy: 1.1613774750131183
Energy: 1.161745530173391
Energy: 1.1613774750126722
Energy: 1.5544397036522533
Energy: 1.161665631148873
Energy: 1.162167801353317
Energy: 1.1616656311510538
Energy: 1.5694501112917416
Energy: 1.16105828342259
Energy: 1.1624237726437636
Energy: 1.1610582834256384
Energy: 1.3773114827080373
Energy: 1.1644790466725612
Energy: 1.1614829352241711
Energy: 1.164479046672115
Energy: 1.5539119465399476
Energy: 1.1613049064287002
Energy: 1.7553479360601112
Energy: 1.161304906428254
Energy: 1.1541574037804898
Energy: 1.1622024315833055
Energy: 1.7566710764071827
Energy: 1.1622024315841728
Energy: 1.5705058924880069
Energy: 1.1618056133213563
Energy: 1.1897215230143734
Energy: 1.1618056133213563

minimum gb energy = 1.1541574037804898 eV
minimum distance =  2.34889941505995 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.408259306692523
Energy: 1.2598666285681819
Energy: 1.9935372614737903
Energy: 1.2598666285658173
Energy: 1.2651120603643404
Energy: 1.2393047597173878
Energy: 1.2856331018201135
Energy: 1.2393047584415988
Energy: 1.27566219782887
Energy: 1.2955417049137974
Energy: 1.26538800517354
Energy: 1.2955417049113778
Energy: 1.273498265850801
Energy: 1.2691085720229534
Energy: 1.2682391960145774
Energy: 1.2691085720217434
Energy: 1.2306847819108513
Energy: 1.2820418908202902
Energy: 1.2503754519154069
Energy: 1.2820418908202902
Energy: 1.2887251163288085
Energy: 1.307269334070225
Energy: 1.249302839501179
Energy: 1.3072693340678054
Energy: 1.3629454585757947
Energy: 1.2623837986765725
Energy: 1.3732332439676982
Energy: 1.262383798678992
Energy: 1.3659553547429621
Energy: 1.275481676482059
Energy: 1.5042269411210814
Energy: 1.2754816764808492
Energy: 1.286866883724214
Energy: 1.2370152541737622
Energy: 1.370202037820172
Energy: 1.2370152541737622
Energy: 1.447368050914416
Energy: 1.239254453329077
Energy: 1.3762101184977689
Energy: 1.239254453330287
Energy: 1.2678969673398477
Energy: 1.272177021486084
Energy: 1.295136361088023
Energy: 1.2721770214824546
Energy: 1.2711080528699708
Energy: 1.2733809583845042
Energy: 1.24717147145519
Energy: 1.2733809583845042
Energy: 1.288337975864863
Energy: 1.2939906265075671
Energy: 1.2471768049624083
Energy: 1.2939906265111965
Energy: 1.2383275232241469
Energy: 1.2829561929893716
Energy: 1.247622971477631
Energy: 1.2829561929893716
Energy: 1.2319176305487645
Energy: 1.328304687646833
Energy: 1.2862015948081928
Energy: 1.3283046876480427
Energy: 1.482514826113269
Energy: 1.261262733981982
Energy: 1.3919436280246886
Energy: 1.2612627339856115
Energy: 1.3624173966663815
Energy: 1.2429192673415301
Energy: 1.2819332512969641
Energy: 1.2429192673487888
Energy: 1.2706112746676277
Energy: 1.2668881822318805
Energy: 1.5002605779992204
Energy: 1.2668881822173628
Energy: 1.3510656110994081
Energy: 1.247737940799885
Energy: 1.2553989300361232
Energy: 1.2477379408010947
Energy: 1.2689092627675385
Energy: 1.2822345730465092
Energy: 1.2408331912422528
Energy: 1.2822345730452995
Energy: 1.2657435912302373
Energy: 1.2649942163457952
Energy: 1.2685524651485807
Energy: 1.2649942163421657
Energy: 1.3501452475346072
Energy: 1.2826674256182944
Energy: 1.2625727617615756
Energy: 1.282667425619504
Energy: 1.302875181376197
Energy: 1.2832122104023682
Energy: 1.267970728184583
Energy: 1.2832122104011585
Energy: 1.2778562538396319
Energy: 1.2444332655617012
Energy: 1.3130554407442745
Energy: 1.2444332655617012
Energy: 1.5297928816161515
Energy: 1.24475320631307
Energy: 1.7032454051672101
Energy: 1.24475320631186
Energy: 1.360626401554439
Energy: 1.2747745498426029
Energy: 1.2630189557064844
Energy: 1.2747745498426029
Energy: 1.312423139307252
Energy: 1.2838548184326246
Energy: 1.267885234229835
Energy: 1.2838548184326246
Energy: 1.2686967967813736
Energy: 1.2732470174312158
Energy: 1.3153895559363247
Energy: 1.2732470174312158
Energy: 1.2655998847283363
Energy: 1.2720940211608025
Energy: 1.2426301889647418
Energy: 1.2720940211595928
Energy: 1.2869014821487803
Energy: 1.3858500331068573
Energy: 1.2800111262078024
Energy: 1.385850033108067
Energy: 1.331150776192243
Energy: 1.2767319852123422
Energy: 1.3836228092689085
Energy: 1.2767319852123422
Energy: 1.3544436199803283
Energy: 1.237216665317203
Energy: 1.3709349589457889
Energy: 1.237216665315993
Energy: 1.560624483752653
Energy: 1.2490669335271931
Energy: 1.3922647699647228
Energy: 1.2490669335271931

minimum gb energy = 1.2306847819108513 eV
minimum distance =  2.31991065521987 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.2492822978104325
Energy: 1.2157457858917555
Energy: 2.0337136080568303
Energy: 1.2157457858917555
Energy: 1.196137831925419
Energy: 1.2103290962151003
Energy: 1.2307467946028476
Energy: 1.2103290962100821
Energy: 1.3527010135600497
Energy: 1.2448173423628317
Energy: 1.2900371029971094
Energy: 1.2448173423628317
Energy: 1.2141943428326416
Energy: 1.2424777260532234
Energy: 1.2332527360700305
Energy: 1.2424777260532234
Energy: 1.212596430543339
Energy: 1.2155079368777222
Energy: 1.2162243799261034
Energy: 1.2155079368793948
Energy: 1.212527778831205
Energy: 1.2616669562433755
Energy: 1.2132050351554746
Energy: 1.2616669562417029
Energy: 1.2599514462410664
Energy: 1.244173904139715
Energy: 1.350007963309826
Energy: 1.244173904139715
Energy: 1.2125438227162484
Energy: 1.243559458463322
Energy: 1.3511397495939768
Energy: 1.243559458463322
Energy: 1.3529142261341403
Energy: 1.2156887487356105
Energy: 1.236419146757016
Energy: 1.2156887487356105
Energy: 1.3529142261341403
Energy: 1.2156437900236827
Energy: 1.2369062035926734
Energy: 1.2156437900236827
Energy: 1.2607630670035934
Energy: 1.2435599270966453
Energy: 1.351139749585613
Energy: 1.2435599270966453
Energy: 1.2121825707894527
Energy: 1.2440147649264182
Energy: 1.350007963309826
Energy: 1.2440147649264182
Energy: 1.2124055558015323
Energy: 1.2128884300946665
Energy: 1.2131956729710283
Energy: 1.212888348574341
Energy: 1.2125863418771108
Energy: 1.2154800898794298
Energy: 1.2159660247527981
Energy: 1.2154800898794298
Energy: 1.2125633624541114
Energy: 1.2422909287299084
Energy: 1.232931543928103
Energy: 1.2422909287299084
Energy: 1.3527010135583768
Energy: 1.2448503330297789
Energy: 1.2900825912969958
Energy: 1.2448503330297789
Energy: 1.1959959537777702
Energy: 1.2110316591244634
Energy: 1.2143694965755656
Energy: 1.2110316592799533
Energy: 1.2492822978104325
Energy: 1.2157457858917555
Energy: 2.033713608147121
Energy: 1.2157457858917555
Energy: 1.1961378319237463
Energy: 1.2103290963538624
Energy: 1.2307467946028476
Energy: 1.210329096176627
Energy: 1.3527010135600497
Energy: 1.2448173423628317
Energy: 1.2900371029971094
Energy: 1.2448173423628317
Energy: 1.21419434284264
Energy: 1.2424777260532234
Energy: 1.2332527360700305
Energy: 1.2424777260532234
Energy: 1.212596430543339
Energy: 1.2155079368793948
Energy: 1.2162243799261034
Energy: 1.2155079368777222
Energy: 1.2125277788328777
Energy: 1.2616669562417029
Energy: 1.213205035153802
Energy: 1.2616669562433755
Energy: 1.2599514462410664
Energy: 1.244173904138042
Energy: 1.350007963311499
Energy: 1.244173904139715

minimum gb energy = 1.1959959537777702 eV
minimum distance =  2.32989014802323 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.5498801026989721
Energy: 1.2490077176794867
Energy: 1.9121394738132884
Energy: 1.2490077176805205
Energy: 1.2424038583873374
Energy: 1.2543283273857972
Energy: 1.2376290803458674
Energy: 1.2543283273837296
Energy: 1.280462387582777
Energy: 1.2459339204120363
Energy: 1.2581961148458674
Energy: 1.2459339204130702
Energy: 1.2398105886183577
Energy: 1.2389776059438282
Energy: 1.2368245464169634
Energy: 1.2389776059427944
Energy: 1.2345269931409375
Energy: 1.2449757662346643
Energy: 1.241171011179058
Energy: 1.2449757662377658
Energy: 1.2410153320062038
Energy: 1.2548711416821854
Energy: 1.2387256803789348
Energy: 1.2548711416821854
Energy: 1.240015411616719
Energy: 1.2513969019184628
Energy: 1.2445535354631836
Energy: 1.251396901917429
Energy: 1.2357905570895276
Energy: 1.2519283421707297
Energy: 1.2710725918924015
Energy: 1.2519283421727976
Energy: 1.2788926672450411
Energy: 1.2306110979698746
Energy: 1.2344567284491772
Energy: 1.2306110979657392
Energy: 1.2618683517971154
Energy: 1.2299668077704358
Energy: 1.2354706676589944
Energy: 1.2299668077683679
Energy: 1.306140011199304
Energy: 1.229327684769795
Energy: 1.268154308400429
Energy: 1.2293276847687609
Energy: 1.3053685051233535
Energy: 1.2285188817604287
Energy: 1.274288314166363
Energy: 1.2285188817645643
Energy: 1.2617729261949013
Energy: 1.2526126580436387
Energy: 1.2430818309879585
Energy: 1.2526126580436387
Energy: 1.2321809774379553
Energy: 1.2451577155561577
Energy: 1.2406933694322118
Energy: 1.2451577155540898
Energy: 1.2371652396067438
Energy: 1.2650376947452302
Energy: 1.2318035403389558
Energy: 1.2650376947421285
Energy: 1.238031233143571
Energy: 1.2506379186624077
Energy: 1.228691882337964
Energy: 1.250637918668611
Energy: 1.231772241153354
Energy: 1.2265707387266096
Energy: 1.2555005584042602
Energy: 1.2265707387255758
Energy: 1.360131791407551
Energy: 1.2488535308913131
Energy: 1.4683527429531675
Energy: 1.2488535308964828
Energy: 1.2315683683311647
Energy: 1.2452615511851342
Energy: 1.2349556872205312
Energy: 1.2452615511923713
Energy: 1.4563295316214442
Energy: 1.2380273062976437
Energy: 1.3659190500813985
Energy: 1.2380273063017793
Energy: 1.233817207332598
Energy: 1.2718464580166637
Energy: 1.2430969984834954
Energy: 1.2718464580187316
Energy: 1.2575855189984175
Energy: 1.2440407350525666
Energy: 1.2575111103678034
Energy: 1.2440407350536007
Energy: 1.248109605390891
Energy: 1.2567299249116846
Energy: 1.2390528169387105
Energy: 1.2567299249085828
Energy: 1.232854443429415
Energy: 1.2502970989583864
Energy: 1.2192087455987732
Energy: 1.250297098961488
Energy: 1.2261602897398793
Energy: 1.2667072802365624
Energy: 1.2600264431818886
Energy: 1.2667072802396644
Energy: 1.263971396204565
Energy: 1.2444386605890092
Energy: 1.2472226502093724
Energy: 1.2444386605879756
Energy: 1.229591150057639
Energy: 1.2454081119541043
Energy: 1.2295444682583079
Energy: 1.2454081119499687
Energy: 1.2451175841206372
Energy: 1.2190529308130507
Energy: 1.2642521653661787
Energy: 1.2190529308150713
Energy: 1.2456254052398748
Energy: 1.2178234816030378
Energy: 1.2594654922745294
Energy: 1.2178234816030378
Energy: 1.2653289028002082
Energy: 1.2444762260228217
Energy: 1.2500409575321625
Energy: 1.2444762260248894
Energy: 1.266169405572718
Energy: 1.2447194092865599
Energy: 1.2292930502992434
Energy: 1.244719409284492
Energy: 1.23088211805096
Energy: 1.2642774875808298
Energy: 1.2404332197757781
Energy: 1.2642774875766942
Energy: 1.226163108610756
Energy: 1.2505884374070042
Energy: 1.2209003165244698
Energy: 1.2505884374059701
Energy: 1.2336942594132245
Energy: 1.2504463314851464
Energy: 1.2536711261551179
Energy: 1.2504463314851464
Energy: 1.2578068864111154
Energy: 1.2438178681469445
Energy: 1.2595420403025297
Energy: 1.2438178681438428
Energy: 1.2492988162931207
Energy: 1.220217074012747
Energy: 1.2340562800481116
Energy: 1.220217074011713
Energy: 1.462647465347956
Energy: 1.2330400428063626
Energy: 1.358027846041946
Energy: 1.2330400428073964
Energy: 1.235155913340931
Energy: 1.2377743001956474
Energy: 1.2398476236059242
Energy: 1.2377743001946138

minimum gb energy = 1.2178234816030378 eV
minimum distance =  2.32074247294296 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.436110156031447
Energy: 1.185567939816253
Energy: 1.8936440681763609
Energy: 1.185567939816253
Energy: 1.194162558019146
Energy: 1.2002883385617464
Energy: 1.212744880236068
Energy: 1.2002883385617464
Energy: 1.319221687976581
Energy: 1.162322353218912
Energy: 1.1655156495303085
Energy: 1.162322353219742
Energy: 1.169547667555629
Energy: 1.2116914009131878
Energy: 1.212097156359025
Energy: 1.2116914009131878
Energy: 1.2005683267024083
Energy: 1.1980129282776708
Energy: 1.2121261940138424
Energy: 1.1980129282768406
Energy: 1.1690505188947402
Energy: 1.3273425466983004
Energy: 1.2121981815518654
Energy: 1.3273425466972246
Energy: 1.1695217324373512
Energy: 1.1642000293132446
Energy: 1.2113429197225167
Energy: 1.164200029314874
Energy: 1.171119714643115
Energy: 1.2047582539800252
Energy: 1.2870051940692315
Energy: 1.2047582539784267
Energy: 1.317408628016409
Energy: 1.1968592887620664
Energy: 1.1471699125225379
Energy: 1.1968592887617897
Energy: 1.1687754731297642
Energy: 1.1968935019242226
Energy: 1.147451500644102
Energy: 1.1968935019250526
Energy: 1.1940943930280221
Energy: 1.162336156373588
Energy: 1.2853373659550174
Energy: 1.1623361563725123
Energy: 1.1939502244834017
Energy: 1.1631360867147629
Energy: 1.2862319530554622
Energy: 1.1631360867142098
Energy: 1.322104281463705
Energy: 1.197527415479114
Energy: 1.1479187133695787
Energy: 1.1975274154783146
Energy: 1.3179874970293484
Energy: 1.198030891252456
Energy: 1.1474392385459533
Energy: 1.1980308912532553
Energy: 1.1697695123961576
Energy: 1.2118459335749754
Energy: 1.2855655949103333
Energy: 1.211845933574176

minimum gb energy = 1.1471699125225379 eV
minimum distance =  2.32880892228482 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.300300452730809
Energy: 1.1559303401320826
Energy: 1.7334698255880576
Energy: 1.1559303401286811
Energy: 1.1711784460087338
Energy: 1.1566337276039258
Energy: 1.1684256143971308
Energy: 1.1566337276084613
Energy: 1.2326411808125528
Energy: 1.1557408539933514
Energy: 1.2559768002880138
Energy: 1.1557408539967529
Energy: 1.1701736424317766
Energy: 1.1887297915519863
Energy: 1.1682295766604334
Energy: 1.1887297915519863
Energy: 1.1750254392571469
Energy: 1.1582529893012006
Energy: 1.1806904577926578
Energy: 1.1582529893012006
Energy: 1.1687715005406136
Energy: 1.1581058690080186
Energy: 1.1645715281758746
Energy: 1.1581058690091526
Energy: 1.162078494882145
Energy: 1.1332949192883472
Energy: 1.1825825401729795
Energy: 1.133294919289481
Energy: 1.1570874202799288
Energy: 1.1594573607979244
Energy: 1.162746719977236
Energy: 1.159457360793389
Energy: 1.1745815228259053
Energy: 1.1585698441641996
Energy: 1.1599038537042023
Energy: 1.1585698441641996
Energy: 1.1566196018586028
Energy: 1.1588725087384157
Energy: 1.1620391970528565
Energy: 1.1588725087384157
Energy: 1.1704617930461891
Energy: 1.1552087098151347
Energy: 1.198713635484096
Energy: 1.1552087098151347
Energy: 1.1581332631533396
Energy: 1.1553438399248206
Energy: 1.1472129229625392
Energy: 1.1553438399236866
Energy: 1.2059212781233095
Energy: 1.1297957397472715
Energy: 1.1666415550324447
Energy: 1.1297957397495393
Energy: 1.1920223906491045
Energy: 1.1334502848479537
Energy: 1.1777690212961183
Energy: 1.1334502848479537
Energy: 1.165471462265199
Energy: 1.1546720478181285
Energy: 1.2017548899761226
Energy: 1.1546720478192625
Energy: 1.1572377290234943
Energy: 1.1548789753773492
Energy: 1.2077139164116941
Energy: 1.1548789753807507
Energy: 1.2140769404502032
Energy: 1.158500750596776
Energy: 1.1604604177384572
Energy: 1.1585007505990437
Energy: 1.1816562043775967
Energy: 1.1580881524990128
Energy: 1.1653857793833104
Energy: 1.1580881525001465
Energy: 1.1617631672493458
Energy: 1.1342448615300305
Energy: 1.1585511411635248
Energy: 1.1342448615300305
Energy: 1.158709844208821
Energy: 1.1338876766236985
Energy: 1.162667329015322
Energy: 1.1338876766225647
Energy: 1.1601333884788725
Energy: 1.1582288889675916
Energy: 1.1805706404554714
Energy: 1.1582288889675916
Energy: 1.162289245109667
Energy: 1.158156401582749
Energy: 1.1957962843849284
Energy: 1.158156401581615
Energy: 1.233849541764443
Energy: 1.155122526505909
Energy: 1.1611861618394577
Energy: 1.155122526505909
Energy: 1.227896176776179
Energy: 1.1542641458129195
Energy: 1.1697095649748799
Energy: 1.1542641458117855
Energy: 1.1844795497634297
Energy: 1.1542557292472801
Energy: 1.1704735091537968
Energy: 1.1542557292506819
Energy: 1.205386154396152
Energy: 1.1520052807401886
Energy: 1.1933075196639549
Energy: 1.152005280737921
Energy: 1.160711508802297
Energy: 1.15531270291768
Energy: 1.158067639370251
Energy: 1.155312702918814
Energy: 1.2275701427048686
Energy: 1.1545462816053083
Energy: 1.1693081416154136
Energy: 1.1545462816075762
Energy: 1.1604048902760309
Energy: 1.1587315055249898
Energy: 1.1593854323588226
Energy: 1.158731505522722
Energy: 1.1609005457068258
Energy: 1.158468535420726
Energy: 1.174685631424103
Energy: 1.1584685354184585
Energy: 1.163810357512316
Energy: 1.164143915351126
Energy: 1.157905526189108
Energy: 1.1641439153488582
Energy: 1.1823258421660576
Energy: 1.1329675492691753
Energy: 1.1633398330452929
Energy: 1.1329675492714428
Energy: 1.1645420520575767
Energy: 1.1578299630494995
Energy: 1.1696840863115017
Energy: 1.1578299630529012
Energy: 1.1807091409643091
Energy: 1.1589691109818063
Energy: 1.1754065184904077
Energy: 1.1589691109818063
Energy: 1.1673885341222108
Energy: 1.15639521629262
Energy: 1.170425851849966
Energy: 1.1563952162914861

minimum gb energy = 1.1297957397472715 eV
minimum distance =  2.32888048448448 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.270781737261718
Energy: 1.1091078811249429
Energy: 1.6603866624823065
Energy: 1.1091078811255415
Energy: 1.1264247766995426
Energy: 1.0828949766338762
Energy: 1.0776001226582725
Energy: 1.0828949766329008
Energy: 1.2203631293220003
Energy: 1.0717720894586322
Energy: 1.2114801859088027
Energy: 1.0717720894586322
Energy: 1.1169656826404064
Energy: 1.1031197087242497
Energy: 1.0779274998737638
Energy: 1.1031197087234739
Energy: 1.1753337430504338
Energy: 1.0724547414011567
Energy: 1.1885006893328744
Energy: 1.0724547414017551
Energy: 1.117239921585739
Energy: 1.093912662761342
Energy: 1.1302430565334147
Energy: 1.093912662760943
Energy: 1.1116628623178009
Energy: 1.071949118793103
Energy: 1.1352175631820975
Energy: 1.071949118793502
Energy: 1.1146539204614563
Energy: 1.1720139605548863
Energy: 1.1293190437064533
Energy: 1.1720139605552855
Energy: 1.1033768327706746
Energy: 1.0721992242287621
Energy: 1.1299634394796674
Energy: 1.0721992242293386
Energy: 1.114685865406409
Energy: 1.0943756241378118
Energy: 1.1296611046179932
Energy: 1.0943756241378118
Energy: 1.1106045566238454
Energy: 1.071251220490377
Energy: 1.157128442605504
Energy: 1.071251220492328
Energy: 1.1107117087244034
Energy: 1.093512512189766
Energy: 1.1296328035009926
Energy: 1.0935125121895666
Energy: 1.2197111010246109
Energy: 1.0718556857809274
Energy: 1.0924455270394944
Energy: 1.0718556857811048
Energy: 1.123787662751429
Energy: 1.0717858889199698
Energy: 1.0773472028272566
Energy: 1.0717858889197702
Energy: 1.1101063099654245
Energy: 1.1090428603967677
Energy: 1.1919644453301053
Energy: 1.1090428603965683
Energy: 1.110408312460081
Energy: 1.0778639704489923
Energy: 1.1407490213591378
Energy: 1.0778639704482165
Energy: 1.2209007826136822
Energy: 1.07187999281845
Energy: 1.0776047927387287
Energy: 1.0718799928180507
Energy: 1.1149714385283298
Energy: 1.071663153574536
Energy: 1.0786920707657317
Energy: 1.0716631535743364
Energy: 1.1106488653046895
Energy: 1.0717135898260202
Energy: 1.1887284985740927
Energy: 1.0717135898246681
Energy: 1.1106700454256868
Energy: 1.0929312277668422
Energy: 1.1895226248250148
Energy: 1.092931227766665

minimum gb energy = 1.071251220490377 eV
minimum distance =  2.32611968021304 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.200661811807394
Energy: 1.0090208212955427
Energy: 1.4541903083748278
Energy: 1.0090208212940195
Energy: 1.0556197863569947
Energy: 1.0070234740079045
Energy: 1.036553859507503
Energy: 1.0070234740033346
Energy: 1.104627760394341
Energy: 0.9898949339701699
Energy: 1.15649923273537
Energy: 0.9898949339701699
Energy: 1.0427847342977596
Energy: 1.0224960523967335
Energy: 1.0390533739777839
Energy: 1.0224960523967335
Energy: 1.1026024007671555
Energy: 0.9730685467416672
Energy: 1.069240208465704
Energy: 0.973068546740144
Energy: 1.042228926503987
Energy: 1.022555740855082
Energy: 1.0544558021528703
Energy: 1.022555740835314
Energy: 1.0221458471903933
Energy: 0.9732547245470288
Energy: 1.089430737145128
Energy: 0.9732547245470288
Energy: 1.0665475124293602
Energy: 0.9847798747077955
Energy: 1.0888431738023436
Energy: 0.9847798747093188
Energy: 1.055259706290578
Energy: 0.9730428163447721
Energy: 1.0573101941899838
Energy: 0.9730428163447721
Energy: 1.0680272725030602
Energy: 1.0246275589282765
Energy: 1.0552125822810607
Energy: 1.0246275589282765
Energy: 1.042003372920629
Energy: 0.9733524778724675
Energy: 1.0752741529314194
Energy: 0.9733524778709443
Energy: 1.0657528550481512
Energy: 0.9848246463368283
Energy: 1.087320112948273
Energy: 0.9848246463368283
Energy: 1.0184351227705284
Energy: 0.9727416025133547
Energy: 1.0570463044091738
Energy: 0.9727416025148781
Energy: 1.0480616924731578
Energy: 0.9850165613797018
Energy: 1.0553262444879268
Energy: 0.985016561381225
Energy: 1.0738209366488884
Energy: 0.9733279717181157
Energy: 1.0607334647590827
Energy: 0.9733279717181157
Energy: 1.0398665033934658
Energy: 0.9730128098083701
Energy: 1.0388572142888388
Energy: 0.9730128098083701
Energy: 1.1003477664615713
Energy: 0.9899842327689651
Energy: 1.051756306527204
Energy: 0.9899842327689651
Energy: 1.0454694370471231
Energy: 1.0121873072383623
Energy: 1.0523072025040647
Energy: 1.0121873072383623
Energy: 1.0961329095819328
Energy: 1.008892260727894
Energy: 1.0611348645263528
Energy: 1.0088922607263708
Energy: 1.0202918761789037
Energy: 1.0100850388989766
Energy: 1.0355089633796322
Energy: 1.0100850388974534
Energy: 1.1004162120869103
Energy: 0.9900066348973595
Energy: 1.0514914961888873
Energy: 0.9900066348958362
Energy: 1.0453135649578025
Energy: 0.9932379000406464
Energy: 1.0536231935028104
Energy: 0.9932379000406464
Energy: 1.0728028494553516
Energy: 0.9730517515558929
Energy: 1.0612360145930648
Energy: 0.9730517515558929
Energy: 1.0374435464539045
Energy: 0.9727870358714318
Energy: 1.0883023465672157
Energy: 0.9727870358729551
Energy: 1.0188756217448813
Energy: 0.9728647141901864
Energy: 1.055973501085853
Energy: 0.9728647141932328
Energy: 1.0879758647061013
Energy: 0.9855324231593555
Energy: 1.0550857956525486
Energy: 0.9855324231593555

minimum gb energy = 0.9727416025133547 eV
minimum distance =  2.32686575935121 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.1137497036101014
Energy: 0.934900203256212
Energy: 1.299583430032902
Energy: 0.9349002032549633
Energy: 0.9696718451968304
Energy: 0.9491239005587908
Energy: 0.9953887933667592
Energy: 0.9491239005612884
Energy: 1.0099738961886204
Energy: 0.9137252246877987
Energy: 1.0980176031270366
Energy: 0.9137252246853009
Energy: 0.9853556265651263
Energy: 0.9269269686979374
Energy: 0.9939506611549597
Energy: 0.9269269686954397
Energy: 1.0715018599867765
Energy: 0.898785378221515
Energy: 0.9744406235737793
Energy: 0.8987853782202663
Energy: 0.9923439296606733
Energy: 0.9145094627648312
Energy: 0.9843044730970197
Energy: 0.9145094627635824
Energy: 0.9994970985817365
Energy: 0.8899290460983112
Energy: 1.0332079998251202
Energy: 0.8899290460995601
Energy: 1.0128696636458223
Energy: 0.9566921828538305
Energy: 1.010183316449393
Energy: 0.9566921828525815
Energy: 1.0249042978278002
Energy: 0.8901155601880835
Energy: 0.9761890177365368
Energy: 0.8901155601893322
Energy: 1.0120564614665193
Energy: 1.0114802318071294
Energy: 1.0026767354604984
Energy: 1.0114802318096274
Energy: 0.9973176055451669
Energy: 0.8901667762116487
Energy: 0.9991481548585351
Energy: 0.8901667762116487
Energy: 0.9908510275740896
Energy: 0.9212598421237879
Energy: 1.0036045396039686
Energy: 0.9212598421237879
Energy: 1.002632592695968
Energy: 0.8903835762039983
Energy: 0.9894115563099972
Energy: 0.8903835762039983
Energy: 1.0103260042785076
Energy: 0.897835051586251
Energy: 1.0019941444028035
Energy: 0.8978350515887487
Energy: 0.9984350249628009
Energy: 0.8903964914922735
Energy: 0.9816165349415927
Energy: 0.8903964914910246
Energy: 0.9966841097001196
Energy: 0.8975509019955259
Energy: 0.9915283558188442
Energy: 0.8975509019980235
Energy: 1.0103024167259353
Energy: 0.8901694950034758
Energy: 1.0056350945871944
Energy: 0.890169495002227
Energy: 0.9860318194916996
Energy: 0.8900573490328797
Energy: 0.9805884645482117
Energy: 0.8900573490353774
Energy: 0.9878027184986683
Energy: 0.8997337800786868
Energy: 0.971143277978467
Energy: 0.899733780077438
Energy: 0.9882920616101966
Energy: 0.9192472359269672
Energy: 0.9624396102350089
Energy: 0.9192472359232208
Energy: 1.0071708510857984
Energy: 0.9106104653762911
Energy: 1.0109548902279255
Energy: 0.9106104653787888
Energy: 0.9858015540675594
Energy: 0.9342684299547139
Energy: 0.972619347103635
Energy: 0.934268429953465
Energy: 1.003896813221751
Energy: 0.9356407118595773
Energy: 0.9788851762973014
Energy: 0.9356407118608262
Energy: 0.9972709531680721
Energy: 0.9348566725687121
Energy: 0.9610071927002594
Energy: 0.9348566725699609
Energy: 1.013463713305196
Energy: 0.9105826102020872
Energy: 1.0111675463954553
Energy: 0.9105826102020872
Energy: 0.9855591470193825
Energy: 0.9101379382700534
Energy: 0.9741039111233728
Energy: 0.9101379382725511
Energy: 0.988354579583334
Energy: 0.8998297978457723
Energy: 0.9783569272450013
Energy: 0.8998297978445235
Energy: 0.987751198916776
Energy: 0.9014644165795418
Energy: 0.9916609785571385
Energy: 0.9014644165795418
Energy: 0.9965087753276154
Energy: 0.8907574362644204
Energy: 1.0065267132905813
Energy: 0.8907574362631715
Energy: 1.0104299857199734
Energy: 0.8913091086813272
Energy: 0.9881713089402216
Energy: 0.891309108683825
Energy: 0.9976277399056338
Energy: 0.8904297955070243
Energy: 0.9726705020731492
Energy: 0.8904297955057754
Energy: 0.9961886904079698
Energy: 0.8988438390137211
Energy: 1.0087869117317831
Energy: 0.89884383901497

minimum gb energy = 0.8899290460983112 eV
minimum distance =  2.3302264515519 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0500631395507851
Energy: 0.8740799683752362
Energy: 1.1811602997123256
Energy: 0.8740799683762942
Energy: 0.9347554175427623
Energy: 0.8805447948021409
Energy: 0.9232261429199484
Energy: 0.8805447948042568
Energy: 0.9339569661769684
Energy: 0.852757705431696
Energy: 1.0432642300669732
Energy: 0.8527577054306381
Energy: 0.9348441553020795
Energy: 0.8602103560282384
Energy: 0.9212364338135633
Energy: 0.8602103560261224
Energy: 1.0174486642405725
Energy: 0.8378071103735851
Energy: 0.9030657862903001
Energy: 0.8378071103704112
Energy: 0.9414615519476998
Energy: 0.8863475950536736
Energy: 0.9418175466704434
Energy: 0.8863475950219355
Energy: 0.9223841553976876
Energy: 0.8270666232890725
Energy: 0.992414043239842
Energy: 0.8270666232911884
Energy: 0.930501213272528
Energy: 0.8838171939178862
Energy: 0.9333308256170036
Energy: 0.883817193918944
Energy: 0.9730186816222078
Energy: 0.8219969791039171
Energy: 0.9098699243975199
Energy: 0.8219969791028591
Energy: 0.9540985952744577
Energy: 0.8354750713526328
Energy: 0.9462434139530745
Energy: 0.8354750713505169
Energy: 0.9249625336122375
Energy: 0.8222774912811901
Energy: 0.9483002490737676
Energy: 0.8222774912801321
Energy: 0.9490681802373506
Energy: 0.945444034674186
Energy: 0.9535099753270547
Energy: 0.9454440346752438
Energy: 0.9456709446937492
Energy: 0.8221887536621939
Energy: 0.9195245817997858
Energy: 0.8221887536611359
Energy: 0.9510435970322997
Energy: 0.8438751936695289
Energy: 0.9338788047889272
Energy: 0.8438751936705868
Energy: 0.9382885158812823
Energy: 0.8222961224046754
Energy: 0.9236552620447341
Energy: 0.8222961224036174
Energy: 0.942952549932334
Energy: 0.8436710693906961
Energy: 0.9537414993751661
Energy: 0.8436710693864643
Energy: 0.9291950092477064
Energy: 0.8223498810800997
Energy: 0.9410729956220057
Energy: 0.8223498810769259
Energy: 0.9333550733871303
Energy: 0.8289662256974794
Energy: 0.9407141277958337
Energy: 0.8289662257017111
Energy: 0.9474182937816464
Energy: 0.8225659073985697
Energy: 0.9092641484770255
Energy: 0.8225659073985697
Energy: 0.9337855007039354
Energy: 0.835393853646251
Energy: 0.9308354664464322
Energy: 0.8353938536430772
Energy: 0.9269491294745811
Energy: 0.8277513417571446
Energy: 0.9626794509524695
Energy: 0.8277513417613764
Energy: 0.9243087867059906
Energy: 0.8821709065813521
Energy: 0.9393305878366036
Energy: 0.8821709065771204
Energy: 0.948539034098528
Energy: 0.8376614956844972
Energy: 0.900777192391089
Energy: 0.8376614956823812
Energy: 0.9212571578695369
Energy: 0.8612050698095098
Energy: 0.9294119360613766
Energy: 0.8612050694943881
Energy: 0.9327194686647258
Energy: 0.8530015158579229
Energy: 0.9721380377230944
Energy: 0.8530015158547493
Energy: 0.9032581225444936
Energy: 0.8688201232245194
Energy: 0.9336564118943149
Energy: 0.8688201232245194
Energy: 0.9652204344655513
Energy: 0.8651422707891849
Energy: 0.9069059410279303
Energy: 0.8651422707870691
Energy: 0.9420496476999648
Energy: 0.8747362859480642
Energy: 0.9306331665103773
Energy: 0.8747362859427744
Energy: 0.9391278925275215
Energy: 0.8536511679285815
Energy: 0.9724711357287043
Energy: 0.8536511679317554
Energy: 0.924385689732835
Energy: 0.8501415335323842
Energy: 0.9335327011002579
Energy: 0.8501415335302683
Energy: 0.9483821176625719
Energy: 0.8379610068271884
Energy: 0.9078642510087147
Energy: 0.8379610068293043
Energy: 0.9372302179744856
Energy: 0.8451003096889863
Energy: 0.9405191675443808
Energy: 0.8451003096900443
Energy: 0.922730606995701
Energy: 0.8277575242782746
Energy: 0.9634072781596694
Energy: 0.8277575242793325
Energy: 0.9406767986075532
Energy: 0.8316925268332718
Energy: 0.9403575561630428
Energy: 0.8316925268311559
Energy: 0.9465114199386265
Energy: 0.8227483871765208
Energy: 0.9347087407294561
Energy: 0.8227483871722889
Energy: 0.9334418379539482
Energy: 0.8362137650606101
Energy: 0.9442784001329367
Energy: 0.8362137650606101
Energy: 0.920287478946621
Energy: 0.8229314785801763
Energy: 0.9435611895818075
Energy: 0.8229314785822921

minimum gb energy = 0.8219969791028591 eV
minimum distance =  2.33525755033486 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0906005335939444
Energy: 0.8171855969179405
Energy: 1.0476013218440994
Energy: 0.817185596918858
Energy: 0.8465248253234299
Energy: 0.7678430897816286
Energy: 0.8719308707806164
Energy: 0.7678430897742881
Energy: 0.8342814158906134
Energy: 0.813037786528918
Energy: 1.04391049015274
Energy: 0.8130377865298355
Energy: 0.8536206889302395
Energy: 0.7976383451817323
Energy: 0.8720411214723134
Energy: 0.7976383451817323
Energy: 1.0121165506598657
Energy: 0.7761170215144789
Energy: 0.8162330894772608
Energy: 0.7761170215153964
Energy: 0.855169561671241
Energy: 0.4650825853405235
Energy: 0.8483050954640777
Energy: 0.46508258104554245
Energy: 0.8425159571291883
Energy: 0.7760301957229977
Energy: 0.9732015198011558
Energy: 0.7760301957229977
Energy: 0.8443654000805427
Energy: 0.806689441572653
Energy: 0.8760316971053184
Energy: 0.8066894415735705
Energy: 0.9422339991246761
Energy: 0.7532894060077296
Energy: 0.8637113632122575
Energy: 0.7532894060095647
Energy: 0.8708367275742377
Energy: 0.8138061211143394
Energy: 0.866323407229634
Energy: 0.8138061211134219
Energy: 0.8355957778022133
Energy: 0.7534340121741427
Energy: 0.9189769816672115
Energy: 0.7534340121723077
Energy: 0.8839938914934918
Energy: 0.7556317219563563
Energy: 0.8889739132472507
Energy: 0.7556317219554387
Energy: 0.8876216442121948
Energy: 0.7535752283217164
Energy: 0.8531614082203322
Energy: 0.7535752283217164
Energy: 0.88907889581803
Energy: 0.7796108046114257
Energy: 0.8881015889157687
Energy: 0.7796108046114257
Energy: 0.8439976934196007
Energy: 0.7535895718207185
Energy: 0.8798067746701007
Energy: 0.7535895718225535
Energy: 0.8731823732579248
Energy: 0.7782137026545972
Energy: 0.8868504827766877
Energy: 0.7782137026545972
Energy: 0.8503121123070814
Energy: 0.7537226078532101
Energy: 0.8665703717554311
Energy: 0.7537226078513749
Energy: 0.8895525876778958
Energy: 0.7784116534836822
Energy: 0.8870364007802749
Energy: 0.7784116534836822
Energy: 0.8709200993221333
Energy: 0.7535286420125956
Energy: 0.8594787697614393
Energy: 0.7535286420125956
Energy: 0.8797384663768926
Energy: 0.7553801343437035
Energy: 0.873349932559611
Energy: 0.7553801343446213
Energy: 0.8333929609881058
Energy: 0.7536852639373162
Energy: 0.8868458706877446
Energy: 0.7536852639382339
Energy: 0.8701974967280589
Energy: 0.7557323421060703
Energy: 0.8653194297285224
Energy: 0.7557323421042352
Energy: 0.9062618425852486
Energy: 0.7536662285141901
Energy: 0.8605671938759765
Energy: 0.7536662285123549
Energy: 0.8707115841246135
Energy: 0.8107902928546024
Energy: 0.8501972152605379
Energy: 0.8107902928546024
Energy: 0.8474764246753879
Energy: 0.7761138160308261
Energy: 0.8900650467107973
Energy: 0.7761138160326612
Energy: 0.8539621639628747
Energy: 0.7944984647982551
Energy: 0.848629151808301
Energy: 0.7944984647909148
Energy: 0.9211679872193291
Energy: 0.7761258469220601
Energy: 0.8146357500397076
Energy: 0.7761258469229777
Energy: 0.867524685680214
Energy: 0.8073610206574513
Energy: 0.837717081460537
Energy: 0.8073610206574513
Energy: 0.8332922123681183
Energy: 0.8132782523092662
Energy: 0.9005453839326891
Energy: 0.8132782523111013
Energy: 0.8465670263321614
Energy: 0.7771216229893977
Energy: 0.8721117104061894
Energy: 0.7771216229903154
Energy: 0.9486529251097248
Energy: 0.8174224479660034
Energy: 0.8149962297747808
Energy: 0.8174224479660034
Energy: 0.890566936823973
Energy: 0.785575265427173
Energy: 0.8269516342029298
Energy: 0.7855752654262554
Energy: 0.8328851893307065
Energy: 0.8129356962822866
Energy: 0.9002507343823343
Energy: 0.8129356962813692
Energy: 0.8535540073108442
Energy: 0.7593277233437291
Energy: 0.8721938820315308
Energy: 0.7593277233437291
Energy: 0.9214131683348473
Energy: 0.7760170508587173
Energy: 0.8153710338157378
Energy: 0.7760170508587173
Energy: 0.868292593994189
Energy: 0.7550057624758298
Energy: 0.8530954869422063
Energy: 0.7550057624749125
Energy: 0.8423115370619625
Energy: 0.7764708710881518
Energy: 0.8892306732613212
Energy: 0.7764708710881518
Energy: 0.8724330511549754
Energy: 0.7480462150733961
Energy: 0.8477987706835468
Energy: 0.7480462150733961
Energy: 0.906410541188271
Energy: 0.7537110307985425
Energy: 0.8597916785435525
Energy: 0.7537110308003777
Energy: 0.8711530316216528
Energy: 0.7469958690686674
Energy: 0.8742665661967249
Energy: 0.74699586906775
Energy: 0.8323130224877369
Energy: 0.7537487292488974
Energy: 0.8865338604951172
Energy: 0.753748729249815
Energy: 0.8828585708736284
Energy: 0.7555504956859751
Energy: 0.8913716849726703
Energy: 0.7555504956859751
Energy: 0.8712558642791338
Energy: 0.7462245651293554
Energy: 0.8570154966231749
Energy: 0.7462245651293554

minimum gb energy = 0.46508258104554245 eV
minimum distance =  2.33526432560548 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014887948916205575
Energy: 0.015099278313797418
Energy: 1.2802839242847694
Energy: 0.015099278313797418
Energy: 0.016059264541202517
Energy: 0.7610209123507528
Energy: 0.016059264541202517
Energy: 0.7610209123507528
Energy: 1.280283924284064
Energy: 0.015099278313797418
Energy: 0.014887948916205575
Energy: 0.015099278313797418
Energy: 0.016059264541202517
Energy: 0.7610209123507528
Energy: 0.016059264541202517
Energy: 0.7610209123507528
Energy: 0.014887948916205575
Energy: 0.015099278313797418
Energy: 1.280283924284064
Energy: 0.015099278313797418
Energy: 0.016059264541202517
Energy: 0.7610209123507528
Energy: 0.016059264541202517
Energy: 0.7610209123507528

minimum gb energy = 0.014887948916205575 eV
minimum distance =  2.45058046518379 Angstroms
sigma value = 1