Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_002
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=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3071984400253597e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017335751967862762
Energy: 0.01764212057748312
Energy: 0.23912923996756688
Energy: 0.23899524972854472
Energy: 0.23927101107335166
Energy: 0.018178657590733265
Energy: 0.01764212057748312
Energy: 20.275350219272436
Energy: 21.863065746066322
Energy: 0.23942925443812843
Energy: 20.60797114887854
Energy: 20.389090620214734
Energy: 0.23912923996756688
Energy: 21.79738005433661
Energy: 20.31446929419835
Energy: 0.018739529628178746
Energy: 20.483056269767637
Energy: 0.23857849508340637
Energy: 0.2389952497248653
Energy: 0.23942925443812843
Energy: 0.018739529628592683
Energy: 0.017673122549014326
Energy: 0.23896582766807264
Energy: 0.23878088828610775
Energy: 0.23927101107293774
Energy: 20.57431471057553
Energy: 20.526027489360636
Energy: 0.23896582766765873
Energy: 20.21122312381033
Energy: 0.23920614795590836
Energy: 0.018178657590733265
Energy: 20.658590145242673
Energy: 0.23857849508299242
Energy: 0.23878088828569383
Energy: 0.2392061479554944
Energy: 0.019212044815724177

minimum gb energy = 0.017335751967862762 eV
minimum distance =  2.71946759808426 Angstroms
sigma value = 1


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

Energy: 2.550305621102296
Energy: 1.9038495472569286
Energy: 1.972583896634857
Energy: 1.965873753400016
Energy: 1.9648247429089136
Energy: 1.900066470355315
Energy: 1.9977699471584538
Energy: 1.956659212602214
Energy: 1.9745286835152414
Energy: 1.975093147595282
Energy: 1.9714797539487476
Energy: 1.9918928219333616
Energy: 1.9719665129426687
Energy: 1.972909975119583
Energy: 1.933819282258507
Energy: 1.9551761489975745
Energy: 1.968003765993614
Energy: 1.9760343816753705
Energy: 1.9594180686926046
Energy: 1.9656160084323693
Energy: 1.9352533827847875
Energy: 1.9373491405111434
Energy: 1.9648571011863178
Energy: 1.969048288847951
Energy: 2.0037414800979763
Energy: 1.9744511444888941
Energy: 1.9825277113368018
Energy: 1.9483209770787493
Energy: 1.9563643590315678
Energy: 1.9765291746822986
Energy: 1.9591493906544648
Energy: 1.9390887884658725
Energy: 1.9452557885884874
Energy: 1.9725747999161611
Energy: 1.939782033325144
Energy: 1.9392342024569227
Energy: 1.960136194443836
Energy: 1.9382598497134043
Energy: 1.976459655639027
Energy: 1.986279565361097
Energy: 1.9373033017138364
Energy: 1.9389594647344748
Energy: 2.0446004524684436
Energy: 2.0488302376068455
Energy: 1.9703581449454863
Energy: 1.9707508898930444
Energy: 1.9413630981461976
Energy: 2.0509777665710107
Energy: 2.0065150057371897
Energy: 1.9375060259283132
Energy: 1.9448956823091628
Energy: 1.9849884365252586
Energy: 1.9488176627146745
Energy: 1.938540756622837
Energy: 2.0077190162731915
Energy: 1.9372339221304606
Energy: 1.941999395477203
Energy: 1.975447379886158
Energy: 1.9373376457724285
Energy: 1.962039629376212
Energy: 2.016937061139187
Energy: 2.0481505752007405
Energy: 1.9750010710961503
Energy: 1.9765144097146268
Energy: 1.9735679390100787
Energy: 1.982069200100012
Energy: 1.9652924883881693
Energy: 1.9650314144233385
Energy: 1.892107581520176
Energy: 1.9109445755532477
Energy: 1.964091088974456
Energy: 2.0013408649150906
Energy: 1.9897205162366676
Energy: 1.968050230958529
Energy: 1.8917483168048321
Energy: 1.9056322555710423
Energy: 1.9641451223088569
Energy: 1.967456462134373
Energy: 1.9763576609356603
Energy: 1.9778744340234073
Energy: 1.9709826985055932
Energy: 1.9852445856013274
Energy: 1.9727486015564917
Energy: 1.9872628012069027
Energy: 1.9545911363528734
Energy: 1.9674119957137104
Energy: 1.9714437810306664
Energy: 1.9717639092740218
Energy: 1.9673983825534023
Energy: 1.9348406234793076
Energy: 1.9535981178187354
Energy: 1.97328827625249
Energy: 1.9754906826038436
Energy: 1.9731837742685516
Energy: 1.972187497487529
Energy: 1.9295612080151308
Energy: 1.9697401644889163
Energy: 1.976513404179449
Energy: 2.046752899510076
Energy: 2.0522883544926636
Energy: 1.944217329940043
Energy: 1.975302415142356
Energy: 1.9673090220481388
Energy: 1.9440134885922085
Energy: 1.9387442371976882
Energy: 1.937953305955947
Energy: 1.938828112212787
Energy: 1.948431956788092
Energy: 1.9719323870280465
Energy: 1.9397521044280814
Energy: 2.045396272910069
Energy: 1.9603331556745565
Energy: 1.9436574452078592
Energy: 1.9773633044782644
Energy: 1.9719956646461037
Energy: 1.941174585075497
Energy: 2.028180004680248
Energy: 1.9781359214609189
Energy: 1.9508406885671694
Energy: 1.9430359822264156
Energy: 2.243755799588665
Energy: 1.9397544801934021
Energy: 1.961136112364866
Energy: 1.9624701409838283
Energy: 1.9388754745466832
Energy: 1.9456081039771582
Energy: 1.9842200711720288
Energy: 1.9529349052339702
Energy: 1.9392271640155758
Energy: 2.0082363831044443
Energy: 1.937680499583033
Energy: 1.9747326866501804
Energy: 1.9153883968120702
Energy: 1.9571642422555309
Energy: 1.9736027146188115
Energy: 1.9622249393805622
Energy: 1.9705501380183759
Energy: 1.9926199914197547

minimum gb energy = 1.8917483168048321 eV
minimum distance =  2.41077665275971 Angstroms
sigma value = 33


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

Energy: 3.313085770655249
Energy: 2.0525580329450923
Energy: 2.0987726644643847
Energy: 2.0786576613831023
Energy: 2.097856428670819
Energy: 1.988854215178351
Energy: 2.0949386228192672
Energy: 2.2266830245004456
Energy: 2.078999943719034
Energy: 2.0832689863474605
Energy: 2.077984979817725
Energy: 2.0260916997576084
Energy: 2.0705739426180862
Energy: 2.0193308559489624
Energy: 2.2371227540033387
Energy: 2.046178344121262
Energy: 2.018413945420428
Energy: 2.0265156215314044
Energy: 2.0235299858865545
Energy: 2.018534569220663
Energy: 2.020198529477779
Energy: 2.0023930896772995
Energy: 2.019314587118375
Energy: 2.004947126735988
Energy: 2.0632011233821856
Energy: 2.115383094550316
Energy: 2.226478762031811
Energy: 2.215142154159476
Energy: 2.338839751611765
Energy: 2.0250209944796502
Energy: 2.094712358326821
Energy: 2.0208372240670625
Energy: 2.0133824382130205
Energy: 2.079817658382637
Energy: 2.0107620202827357
Energy: 2.0189125352151587
Energy: 2.0932224547342373
Energy: 2.0208364838432686
Energy: 2.0992936781535403
Energy: 2.154186889196694
Energy: 2.020898445583442
Energy: 2.0191985400738406
Energy: 2.094679691559078
Energy: 2.326349556663285
Energy: 2.0147268729797063
Energy: 2.25147672876199
Energy: 2.0135692760310895
Energy: 2.3249179884716846
Energy: 2.0039019326788012
Energy: 2.1103004639716874
Energy: 2.022377491593353
Energy: 2.0321637243445987
Energy: 2.016780026480067
Energy: 2.0814154936241507
Energy: 2.083411792419967
Energy: 2.017013639866854
Energy: 2.0187397182207154
Energy: 2.035551123303619
Energy: 2.0167611727491135
Energy: 1.976706864223079
Energy: 2.095381328310509
Energy: 2.325627199212927
Energy: 2.030073602303334
Energy: 2.113015479989773
Energy: 2.11198981986682
Energy: 2.0830261213887646
Energy: 2.092952859407686
Energy: 2.0765795849626794
Energy: 2.130157382479328
Energy: 2.0463042831891642
Energy: 2.075097442224388
Energy: 2.076938444927272
Energy: 2.0512123258250883
Energy: 2.076406010438589
Energy: 2.135906013121065
Energy: 2.0442997214349847
Energy: 2.0750143052817824
Energy: 2.069894890654751
Energy: 2.0617899415493963
Energy: 2.3896844490908347
Energy: 2.116114536330806
Energy: 2.168343159740542
Energy: 2.112522955828396
Energy: 2.0842434346028065
Energy: 2.090574088318941
Energy: 1.9990023108395918
Energy: 2.0013486276936048
Energy: 2.0344083545192957
Energy: 1.9958775845210004
Energy: 2.0019966738254915
Energy: 2.050985134539538
Energy: 1.998761339675207
Energy: 2.017626947398221
Energy: 2.1134171587656505
Energy: 1.9975477947957756
Energy: 2.100202974489931
Energy: 2.233091371671494
Energy: 2.406069031270247
Energy: 1.9961485521607978
Energy: 2.071377455578663
Energy: 2.000672902552189
Energy: 2.405901796691746
Energy: 2.087169052539008
Energy: 2.000969808601032
Energy: 2.079773000777897
Energy: 2.239049780472913
Energy: 2.0000647818480015
Energy: 2.017887241511762
Energy: 2.0863598937741745
Energy: 2.000364038263485
Energy: 1.998786254707474
Energy: 2.0368414228579055
Energy: 1.9993685288299132
Energy: 2.001986170863423
Energy: 2.0639926195325846
Energy: 2.232131270625731
Energy: 2.1161694689267403
Energy: 2.027984922393244
Energy: 2.1165365209407847
Energy: 2.0819905736492434
Energy: 2.0472420121035975
Energy: 2.074438901340603
Energy: 2.0469787958362
Energy: 1.979409139748921
Energy: 2.0754714158255343
Energy: 2.0478848519333663
Energy: 2.0955145258032712
Energy: 2.0741811216178134
Energy: 2.2253235360757806
Energy: 2.0096871658289723
Energy: 2.1771850806502493
Energy: 2.0752724001031955
Energy: 2.0947946852333215
Energy: 2.236694232163176
Energy: 2.021559761269052
Energy: 2.1007148286872437
Energy: 2.0199019829564664
Energy: 2.22314927595161
Energy: 3.0663139371591415
Energy: 2.018842846157646
Energy: 2.0362921219073016
Energy: 2.0288075655139544
Energy: 2.024994214019615
Energy: 2.011328354107169
Energy: 2.186358285203308
Energy: 2.1877283368336973
Energy: 2.023021299696618
Energy: 2.0153667425002637
Energy: 2.020386919757137
Energy: 2.2232439704021063
Energy: 2.1109880337495897
Energy: 2.0143944658411153
Energy: 2.0156246066735526
Energy: 2.096779632324579
Energy: 2.016352840461913
Energy: 2.235664979785719
Energy: 2.4004255991158296
Energy: 2.0150558464784822
Energy: 2.0216680845266013
Energy: 2.1007831737256133
Energy: 2.016773522164241
Energy: 2.0978987895405203
Energy: 2.095951302160549
Energy: 2.0116103662081355
Energy: 2.3264098135663067
Energy: 2.0816470716178244
Energy: 2.0161067051000456
Energy: 2.0151723463786357
Energy: 2.0526791970078935
Energy: 2.0224574125132126
Energy: 2.2509910150808508
Energy: 2.0024910064640244
Energy: 2.1097849040547825
Energy: 2.0240915726560793
Energy: 2.027744427031346
Energy: 2.03597969069881
Energy: 1.9767508421603694
Energy: 2.0197287597034177
Energy: 2.020710771267811
Energy: 2.0287763058568498
Energy: 2.16241387982377
Energy: 2.02014885002442
Energy: 2.2327755117074943
Energy: 2.0932587608450204
Energy: 2.1101228616399266
Energy: 2.0199453747673375
Energy: 2.0200758922927187
Energy: 2.270914869646327
Energy: 2.076968701422911
Energy: 2.080041707926844
Energy: 2.077500878719886
Energy: 2.23468440300172
Energy: 2.164845627100563
Energy: 2.0787829363801578
Energy: 2.076736118011407
Energy: 2.0476422876606204
Energy: 2.074049497460005
Energy: 2.017228116129144
Energy: 2.16226367870367
Energy: 2.1152122782665903
Energy: 2.078038977916745
Energy: 2.079979763328735
Energy: 2.325998885149728
Energy: 2.0358179190034926
Energy: 2.0689530145168957
Energy: 1.997046475701129
Energy: 2.0011720620982865
Energy: 2.0959522984925374
Energy: 2.0019225906954734
Energy: 1.9959231504483825
Energy: 2.228121070799029
Energy: 2.018592535744119
Energy: 1.9991679433540341
Energy: 2.053965611719784
Energy: 2.0004606232769735
Energy: 2.1113696719862336
Energy: 2.2231658631087403
Energy: 2.241369426065784
Energy: 2.4099528792490164
Energy: 2.397326836316055
Energy: 2.4058156161186943
Energy: 2.035706044316367
Energy: 2.227875076678503
Energy: 1.997763527327329
Energy: 1.9999384035097072
Energy: 2.0865207818889573
Energy: 2.000244048763625
Energy: 2.0770157959929074
Energy: 2.0916358201270975
Energy: 1.9957380831807205
Energy: 2.0017358234092253
Energy: 2.017538318058231
Energy: 2.0006892701337864
Energy: 1.9973022363627342
Energy: 2.1267981541255865
Energy: 2.1141508008924137
Energy: 2.239717519130486
Energy: 2.049529769972613
Energy: 2.235267206609152
Energy: 2.1162743698975515
Energy: 1.9995787570174173
Energy: 2.078448075779459
Energy: 2.0708717349756682
Energy: 2.050719824179493
Energy: 2.0732517569681512
Energy: 1.9779423640762734

minimum gb energy = 1.976706864223079 eV
minimum distance =  2.40876062330181 Angstroms
sigma value = 51


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

Energy: 3.065217433447666
Energy: 2.010677990648036
Energy: 2.1103949284546504
Energy: 2.140827373468869
Energy: 2.1102218296426605
Energy: 2.0097961840806597
Energy: 2.0602207067160525
Energy: 1.9958526351744752
Energy: 2.0440598929278795
Energy: 2.047488967852304
Energy: 2.2053771379676093
Energy: 2.1969108336149112
Energy: 2.131185584939206
Energy: 2.0413043705880947
Energy: 1.9953524894468697
Energy: 2.1972871929579267
Energy: 2.042485744444303
Energy: 2.0487676678943223
Energy: 2.0940448278812003
Energy: 2.0418175904133093
Energy: 2.0420806273365586
Energy: 2.1025751291258556
Energy: 2.0413125070175613
Energy: 2.0513867275074293
Energy: 2.093535632861216
Energy: 2.0641397701080075
Energy: 2.1966329601755437
Energy: 2.2060272339994427
Energy: 2.0521389543630066
Energy: 2.0641007156596802
Energy: 2.25382623168573
Energy: 1.9807476722652706
Energy: 2.2066197693119385
Energy: 2.2092577653442635
Energy: 1.9833916584582163
Energy: 1.9814272122121728
Energy: 2.2506920225029683
Energy: 2.0112232760529714
Energy: 1.9819961771482784
Energy: 2.0983478976488477
Energy: 1.9804335068677046
Energy: 1.9810738288756091
Energy: 2.1334276872614137
Energy: 2.2079078625620934
Energy: 2.2098418330483836
Energy: 2.333677201906196
Energy: 1.9825727874671015
Energy: 2.2085567713544303
Energy: 2.061239689758206
Energy: 2.2049363316916892
Energy: 2.04739058951788
Energy: 2.094468423849855
Energy: 2.0423399594675087
Energy: 1.962429615298903
Energy: 2.0752758948396695
Energy: 2.0435771176629567
Energy: 2.045314845607172
Energy: 2.1132677405859064
Energy: 2.0420568315261756
Energy: 1.9608305996102506
Energy: 2.125625872463814
Energy: 2.195332212135549
Energy: 2.2049028810294953
Energy: 2.04467937574519
Energy: 2.2049094535553397
Energy: 2.066097520571391
Energy: 2.104945431087311
Energy: 2.0404748494696077
Energy: 2.043353192092605
Energy: 2.102100510625876
Energy: 2.0411312163389677
Energy: 2.0422051790370435
Energy: 2.081638385208179
Energy: 2.041130518665716
Energy: 2.2054225028979575
Energy: 2.184650168197131
Energy: 2.0411801361638413
Energy: 2.044594287919911
Energy: 2.1097764893371003
Energy: 1.993956162033278
Energy: 2.205264598530766
Energy: 2.2063160056825577
Energy: 2.204547363393286
Energy: 2.19835884329104
Energy: 2.194381825842042
Energy: 1.9806595622973828
Energy: 1.9801485646304062
Energy: 2.134116754486309
Energy: 1.981895402574003
Energy: 1.9804878322644737
Energy: 2.199876479510332
Energy: 1.9806601522964793
Energy: 1.9798645479929884
Energy: 2.1090199919514405
Energy: 1.9829588687504864
Energy: 1.9812576396586732
Energy: 2.1233488218309824
Energy: 2.2002844530530785
Energy: 2.1976411346096976
Energy: 2.126837480351641
Energy: 2.1982445431025983
Energy: 2.2007807725441184
Energy: 2.0594819373044153
Energy: 2.0431847536043612
Energy: 2.0440403311703745
Energy: 2.091448853248112
Energy: 2.0414139985019744
Energy: 1.960152108277292

minimum gb energy = 1.960152108277292 eV
minimum distance =  2.41112952007161 Angstroms
sigma value = 19


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

Energy: 2.8566837874801245
Energy: 2.1223427299394135
Energy: 2.1162900772767133
Energy: 2.2528643520638756
Energy: 2.236411321849869
Energy: 2.125555851952846
Energy: 2.2857157926618124
Energy: 2.240371295459736
Energy: 2.1179652348627083
Energy: 2.120877222330119
Energy: 2.2065616071959004
Energy: 2.206110079621265
Energy: 2.1744583723006268
Energy: 2.0928682611459393
Energy: 2.242275998105936
Energy: 2.187641433080976
Energy: 2.092834036469327
Energy: 2.093001697004127
Energy: 2.202553616087407
Energy: 2.0956979598905243
Energy: 2.093238274778479
Energy: 2.3959070484754608
Energy: 2.092284314387014
Energy: 2.1493667606891624
Energy: 2.226433190300288
Energy: 2.1213519870779396
Energy: 2.319671856311712
Energy: 2.223915746495383
Energy: 2.256210768931793
Energy: 2.117735031507471
Energy: 2.209032121027465
Energy: 2.1224671873294203
Energy: 2.235126672448463
Energy: 2.1182787122693956
Energy: 2.242252554713682
Energy: 2.1250459195328384
Energy: 2.2002478603562965
Energy: 2.117739941233177
Energy: 2.089887245152614
Energy: 2.3696299681832795
Energy: 2.1215156080823
Energy: 2.1443640539192903
Energy: 2.282129274860852
Energy: 2.0929920305947034
Energy: 2.2550721364340602
Energy: 2.2768072878103
Energy: 2.242512606580088
Energy: 2.0937967930555113
Energy: 2.142921585385619
Energy: 2.1179401274482657
Energy: 2.116341748659053
Energy: 2.119234748035061
Energy: 2.1173406642541455
Energy: 2.2437929903862712
Energy: 2.142850619348335
Energy: 2.1186719869172737
Energy: 2.117198138955989
Energy: 2.123703348940865
Energy: 2.1174297911007667
Energy: 2.0898892663991018
Energy: 2.1278944686304455
Energy: 2.21193623862725
Energy: 2.119184393361783
Energy: 2.12455825141693
Energy: 2.3204990108896637
Energy: 2.1984014238422036
Energy: 2.281024621895299
Energy: 2.07778187215557
Energy: 2.0792171857187633
Energy: 2.136257966833077
Energy: 2.0800940286059237
Energy: 2.2010995205747674
Energy: 2.2748346838035975
Energy: 2.156122743455532
Energy: 2.09354013270868
Energy: 2.1440775198472886
Energy: 2.0977023315330316
Energy: 2.1528309950472844
Energy: 2.1173546345598195
Energy: 2.1354270051963344
Energy: 2.1983847556115332
Energy: 2.201522873091217
Energy: 2.201174242015798
Energy: 2.2743585724588287
Energy: 2.1168499816949415
Energy: 2.116317359165616
Energy: 2.113337413603986
Energy: 2.0982856663562615
Energy: 2.207129896385956
Energy: 2.119935158619573
Energy: 2.1489692275777434
Energy: 2.11673854641963
Energy: 2.0959378250025087
Energy: 2.3533562658643405
Energy: 2.118739628240932
Energy: 2.1174072113163103
Energy: 2.2756743455002026
Energy: 2.2218363292752543
Energy: 2.0921778838650007
Energy: 2.156842748732525
Energy: 2.241756791770079
Energy: 2.1187175849324675
Energy: 2.2682940147582915
Energy: 2.0924616932579814
Energy: 2.094417647830351
Energy: 2.0952252180708357
Energy: 2.0937156251013227
Energy: 2.0915960436604184
Energy: 2.2684838899258684
Energy: 2.092240481177541
Energy: 2.0945041854948245
Energy: 2.2028745417871107
Energy: 2.0939398331184775
Energy: 2.2421339991608047
Energy: 2.131566314525737
Energy: 2.3186933280758977
Energy: 2.1163412500308656
Energy: 2.2284325289764557
Energy: 2.206345607852072
Energy: 2.3244775431535225
Energy: 2.184021561861571
Energy: 2.093553407240546
Energy: 2.123424676781067
Energy: 2.202016062246528
Energy: 2.094432285438228
Energy: 2.2553995545249603
Energy: 2.183553538476052
Energy: 2.092472521672273
Energy: 2.0949547693787385
Energy: 2.1465527881685773
Energy: 2.093727180715631
Energy: 2.0671518898238013
Energy: 2.277314538321166
Energy: 2.323817084058767
Energy: 2.093293733607393
Energy: 2.3047502377488485
Energy: 2.241162213997047
Energy: 2.119006529664379
Energy: 2.150068667909501
Energy: 2.1170981389132577
Energy: 2.089707420600936
Energy: 2.2321567245880747
Energy: 2.118998065100802
Energy: 2.116447594410344
Energy: 2.117884595844075
Energy: 2.116263560705031
Energy: 2.117208387956162
Energy: 2.111745724069055
Energy: 2.1180695999466552
Energy: 2.1169196242339914
Energy: 2.123041579253449
Energy: 2.237042107512071
Energy: 2.198295018704669
Energy: 2.1200778851648723
Energy: 2.197207976646819
Energy: 2.3162106718054427
Energy: 2.577301912946067
Energy: 2.0789782950923636
Energy: 2.079888640620402
Energy: 2.1455869346932266
Energy: 2.07950786142284
Energy: 2.264560267857401
Energy: 2.2811143033445944
Energy: 2.0771999967362724
Energy: 2.1335974706528837
Energy: 2.2932190013930307
Energy: 2.0789609769456714
Energy: 2.077499546343361
Energy: 2.1258162764614474
Energy: 2.1987127063603564
Energy: 2.2115280339771766
Energy: 2.129123849202855
Energy: 2.2544510240288376
Energy: 2.1980266344899158
Energy: 2.1813252342629155
Energy: 2.1177121234646488
Energy: 2.1170206052477023
Energy: 2.117796491227217
Energy: 2.1165792978170628
Energy: 2.0970119214743583

minimum gb energy = 2.0671518898238013 eV
minimum distance =  2.38091531838402 Angstroms
sigma value = 27


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

Energy: 2.307875299507927
Energy: 1.95298530330924
Energy: 2.15200913197547
Energy: 1.9949200863351542
Energy: 2.149456632018165
Energy: 1.9559751729904682
Energy: 2.1868370614361186
Energy: 1.9577126018160207
Energy: 1.995942082685155
Energy: 1.9295291519341018
Energy: 1.9572696744690505
Energy: 1.9955618540600593
Energy: 2.089907237221954
Energy: 1.997281279679516
Energy: 1.9938906194117785
Energy: 1.930764408074038
Energy: 1.9934521109073728
Energy: 1.995097814685094
Energy: 2.0985349016104466
Energy: 2.000367353414587
Energy: 1.99532992577032
Energy: 1.9983822837841745
Energy: 1.9954884165916191
Energy: 1.9951317646763274
Energy: 1.9286255528615637
Energy: 1.996167351412726
Energy: 1.9554466055522437
Energy: 1.932714272975429
Energy: 1.95800496127515
Energy: 2.001095719122734
Energy: 2.1246725897764707
Energy: 1.9991334138196695
Energy: 1.9575666871837691
Energy: 1.9956466926888152
Energy: 1.960745096477039
Energy: 1.997441026882603
Energy: 2.3060939366482507
Energy: 2.1570035374598415
Energy: 1.9548236442106126
Energy: 2.3098249354181997
Energy: 2.1501662639808123
Energy: 2.1506869431659306
Energy: 1.9286521970471144
Energy: 1.9990408843056686
Energy: 1.9581643584988169
Energy: 1.9296927909547463
Energy: 1.9616320382709613
Energy: 1.9939090198325395
Energy: 1.9298938590783363
Energy: 1.9934144538755147
Energy: 1.993225552690808
Energy: 1.9326633039517451
Energy: 1.9922174149206373
Energy: 1.9946032315641833
Energy: 2.130395580552458
Energy: 1.995308313660817
Energy: 1.99581004612709
Energy: 1.9960757046320212
Energy: 1.9947065318163277
Energy: 1.9953816509169313
Energy: 1.9331651465605983
Energy: 1.9552052425046318
Energy: 2.00260403788807
Energy: 1.9303667987141724
Energy: 1.9959826888496537
Energy: 1.9552139509246589
Energy: 2.186837005293018
Energy: 1.9570070548124316
Energy: 1.9952719110903117
Energy: 2.126091695853023
Energy: 1.959206304534147
Energy: 1.95797096789934

minimum gb energy = 1.9286255528615637 eV
minimum distance =  2.44248586787353 Angstroms
sigma value = 9


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

Energy: 3.467880363062757
Energy: 2.128641252828562
Energy: 2.2091471678303654
Energy: 2.1671245181740058
Energy: 2.209670723617874
Energy: 2.13743148377795
Energy: 2.064700908384373
Energy: 2.1949674228031113
Energy: 2.0388591387408157
Energy: 2.103838190674362
Energy: 2.0404486047680748
Energy: 2.1412303390643066
Energy: 2.177364475366937
Energy: 2.1351103379135616
Energy: 2.1700707707464484
Energy: 2.10221624539562
Energy: 2.1405835541259792
Energy: 2.1695419359071977
Energy: 2.3364204523843024
Energy: 2.1360077933573924
Energy: 2.1353678826305704
Energy: 2.4601454471527773
Energy: 2.136676885230636
Energy: 2.166402502230662
Energy: 2.1027676491092318
Energy: 2.1761437234573626
Energy: 2.1359007736104303
Energy: 2.150193871342985
Energy: 2.1378153833762203
Energy: 2.167568493108632
Energy: 2.1046885317775708
Energy: 2.0412058634570567
Energy: 2.230579012599319
Energy: 2.150864040356139
Energy: 2.281028810047993
Energy: 2.0460142268852324
Energy: 1.9947241378569287
Energy: 2.0685411260486224
Energy: 2.137453575748111
Energy: 2.3975747232003783
Energy: 2.0375028013761103
Energy: 2.04700478422775
Energy: 2.0009936291222297
Energy: 2.0357479919704473
Energy: 2.2304041139978397
Energy: 2.15025287148713
Energy: 2.281399063400054
Energy: 2.0392512737520514
Energy: 1.98959922903122
Energy: 2.116850139953069
Energy: 2.192748788004894
Energy: 2.1506962598228716
Energy: 2.2064061797007994
Energy: 2.157993867418601
Energy: 2.231373343541889
Energy: 2.152609512171536
Energy: 2.116830278995152
Energy: 2.6161523710287016
Energy: 2.1165102034776155
Energy: 2.148892136149424
Energy: 2.06862353526278
Energy: 2.133470499113809
Energy: 2.1161461238141563
Energy: 2.244415510994975
Energy: 2.1166728751093427
Energy: 2.171135097857778
Energy: 2.068425390759301
Energy: 2.2551362151051624
Energy: 2.103167137419263
Energy: 2.152004123361996
Energy: 2.10049221007996
Energy: 2.190487681889528
Energy: 3.161768602151997
Energy: 2.098822706805807
Energy: 2.101490152368565
Energy: 2.062927020952448
Energy: 2.1020787093184765
Energy: 2.1797638562295454
Energy: 2.0676156719197665
Energy: 2.1976763606885856
Energy: 2.1028596748529442
Energy: 2.0697487518541577
Energy: 2.099966202282821
Energy: 2.2531896608278954
Energy: 2.0692828147678233
Energy: 2.252660731486899
Energy: 2.1010366768604634
Energy: 2.0718098740605218
Energy: 2.1953854014752183
Energy: 2.267447679715802
Energy: 2.849461832076715
Energy: 2.0993001022931694
Energy: 2.104408739263461
Energy: 2.0690402337383635
Energy: 2.106988686092588
Energy: 2.0983402163189946
Energy: 2.0694303798102567
Energy: 2.1016934833923533
Energy: 2.0996582114768882
Energy: 2.1497599087767476
Energy: 2.101476700758509
Energy: 2.099652197529683
Energy: 2.0666093998404333
Energy: 2.119807907892034
Energy: 2.3032638944442
Energy: 2.150089017899196
Energy: 2.1171339151686923
Energy: 2.135045139146206
Energy: 2.151744193711737
Energy: 2.1611022820446255
Energy: 2.120777441212365
Energy: 2.4667314926470536
Energy: 2.1188854756880913
Energy: 2.155576554082632
Energy: 2.2324716435753174
Energy: 2.122596874847912
Energy: 2.1920186611451107
Energy: 2.151719684067517
Energy: 2.116914991474387
Energy: 2.1792324674739536
Energy: 1.9956436955426338
Energy: 2.165824006875394
Energy: 2.197036588597623
Energy: 2.1503095795386824
Energy: 2.200407291108382
Energy: 1.9897343520559556
Energy: 1.9934291126239652
Energy: 2.0382940155721236
Energy: 2.0947327164960123
Energy: 2.104100227233875
Energy: 2.0386793622925086
Energy: 1.9903095076236217
Energy: 2.1009651004300154
Energy: 2.0396105869609102
Energy: 2.16724607523107
Energy: 2.0643699606495174
Energy: 2.0384347144213977
Energy: 2.043394059482747
Energy: 2.103123901155143
Energy: 2.137087880409729
Energy: 2.1532620131434803
Energy: 2.1500593090093334
Energy: 2.138053819476011
Energy: 2.04383992960047
Energy: 2.6036194027073547
Energy: 2.18414676517937
Energy: 2.1680463627025532
Energy: 2.3021446859485937
Energy: 2.136855343010112
Energy: 2.222378054409648
Energy: 2.151016583057913
Energy: 2.1367362381528916
Energy: 2.1753504724786614
Energy: 2.33002028272781
Energy: 2.137712568705852
Energy: 2.1672856566093017
Energy: 2.149680391499112
Energy: 2.1354518034818493
Energy: 2.037963660006191
Energy: 2.1013000045267898
Energy: 2.2658425326218206
Energy: 2.25988750080408
Energy: 2.508353029202841
Energy: 2.046711515578887
Energy: 2.044627409681082
Energy: 2.126255476857171
Energy: 2.040107169356756
Energy: 2.101781383100528
Energy: 2.064690072501838
Energy: 2.0408649196392483
Energy: 2.050863702050126
Energy: 1.9888018151070732
Energy: 2.0399020067439295
Energy: 2.1010468450478474
Energy: 2.1505382231303334
Energy: 2.2039117720571086
Energy: 2.2813665794566917
Energy: 1.99559601737292
Energy: 2.2362773552718864
Energy: 2.20355254094456
Energy: 2.2357399502816566
Energy: 2.1157325950547805
Energy: 2.1457226972405126
Energy: 2.232782791709713
Energy: 2.1156272474990914
Energy: 2.199921942517915
Energy: 2.8665868216405554
Energy: 2.1195548734478478
Energy: 2.168499263358647
Energy: 2.0678211105300823
Energy: 2.132558499770006
Energy: 2.127278148204514
Energy: 2.1516187797147035
Energy: 2.1017869196150496
Energy: 2.188771522234039
Energy: 2.0695447208223525
Energy: 2.22356692156815
Energy: 2.099473630424203
Energy: 2.1566054071229845
Energy: 2.102986103339538
Energy: 2.1029172333027066
Energy: 2.1194669654015765
Energy: 2.1025632942415617
Energy: 2.102146116872167
Energy: 2.0684684290536364
Energy: 2.101519423719266
Energy: 2.101219623796601
Energy: 2.1478749086226396
Energy: 2.1009091026549283
Energy: 2.0715904180617004
Energy: 2.063268247253614
Energy: 2.261723789475743
Energy: 2.2525730338790075
Energy: 2.0674880801437956
Energy: 2.25691718486791
Energy: 2.0708142566081467
Energy: 2.060620321904199
Energy: 2.1016603649478887
Energy: 2.197761299264317
Energy: 2.0672021253563675
Energy: 2.10013376991327
Energy: 2.1203296760294834
Energy: 2.148933617112707
Energy: 2.1012743533470526
Energy: 2.0985608935254594
Energy: 2.609683363775248
Energy: 2.0991222917336474
Energy: 2.1031403212027486
Energy: 2.149237206800273
Energy: 2.1008301338709425
Energy: 2.1879068919646665
Energy: 2.068885922485835
Energy: 2.1164289207046267
Energy: 2.1061756663498623
Energy: 2.590462691491032
Energy: 2.117180347193376
Energy: 2.1693885303128377
Energy: 2.0665580179904675
Energy: 2.132615786466282
Energy: 2.1172400282264947
Energy: 2.1745262079461414
Energy: 2.1183520624915504
Energy: 2.121509556634864
Energy: 2.22937687292849
Energy: 2.117072006798155
Energy: 2.116112211030892
Energy: 2.1515956252108
Energy: 2.195602565586134
Energy: 2.158118015958717
Energy: 2.0129832065378688
Energy: 2.2010939711551827
Energy: 2.1976360589009745
Energy: 2.060918601751933
Energy: 2.1642229948235965
Energy: 2.0416188555661545
Energy: 1.98978580420662
Energy: 2.0396125203735656
Energy: 2.323441527534886

minimum gb energy = 1.9888018151070732 eV
minimum distance =  2.41199393843624 Angstroms
sigma value = 57


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

Energy: 3.2865174748246417
Energy: 2.0770322201098366
Energy: 2.0921456678871064
Energy: 1.7154099633501596
Energy: 2.086051672960249
Energy: 2.076699813732636
Energy: 2.3794525776672337
Energy: 2.0609921218180136
Energy: 1.7107517346095562
Energy: 2.0564502149303006
Energy: 1.9023048744182793
Energy: 1.9024928396810636
Energy: 2.4249603472142
Energy: 2.057285849895312
Energy: 2.0455185670577483
Energy: 2.0534615513033088
Energy: 2.0583203509558254
Energy: 1.9498039815855956
Energy: 2.01166577450153
Energy: 2.048171004165884
Energy: 2.0469433953639435
Energy: 2.05021109254661
Energy: 2.0478562101287157
Energy: 2.1117127149788555
Energy: 1.9972437470266495
Energy: 2.0449976923357323
Energy: 2.044770153951479
Energy: 2.051610384357639
Energy: 2.0486548541408807
Energy: 2.0485288203539267
Energy: 1.7104141113797986
Energy: 1.9090732264985666
Energy: 2.0557599874273937
Energy: 2.054905895543343
Energy: 1.90289979517493
Energy: 1.9016571855764488
Energy: 1.7736490270457004
Energy: 1.9402505942698547
Energy: 1.937593122405911
Energy: 2.632606226249658
Energy: 1.9369832072553292
Energy: 1.9423490141108755
Energy: 1.857464466450187
Energy: 1.9016285821323122
Energy: 2.059766277061593
Energy: 2.0519062935655237
Energy: 1.9030044400350947
Energy: 1.9042386958555801
Energy: 1.8579474257516675
Energy: 2.0846332489463637
Energy: 2.060174130713516
Energy: 2.051612841020107
Energy: 2.05940486158372
Energy: 1.9074501627597766
Energy: 1.869960712556677
Energy: 1.9045231311197186
Energy: 2.0255323896352957
Energy: 2.0261079486585234
Energy: 1.9031953407967064
Energy: 1.9085117299964178
Energy: 2.047877280444036
Energy: 1.711623312504209
Energy: 1.9041819741440957
Energy: 2.3797890717971155
Energy: 1.9028667301629496
Energy: 1.7116885438566334
Energy: 2.0505740093356235
Energy: 2.0551750653932093
Energy: 1.947458780621723
Energy: 2.055422163090473
Energy: 2.056096601266879
Energy: 1.9027958061857932
Energy: 2.650955170057615
Energy: 2.044931062108491
Energy: 2.1054574042831002
Energy: 1.9032218250269182
Energy: 2.0560773823104483
Energy: 2.04654835298147
Energy: 2.0509767028013
Energy: 2.053288436764515
Energy: 2.0446861196697723
Energy: 2.0026361618913007
Energy: 2.056239972177488
Energy: 2.0533002699336427
Energy: 1.7115624523701964
Energy: 2.0544159546435954
Energy: 1.901710030368974
Energy: 2.051369741704294
Energy: 1.9044322797168087
Energy: 2.046626967967809
Energy: 2.2801825215706226
Energy: 1.902773712118454
Energy: 1.9406828232965299
Energy: 1.7114500444591447
Energy: 1.9354995428162238
Energy: 2.0977779497404914
Energy: 2.272704214869857
Energy: 1.902755353848288
Energy: 1.9056954364869088
Energy: 1.87231100006835
Energy: 1.9011534117631266
Energy: 1.903868597470026
Energy: 1.712758346069146
Energy: 2.0774016196854523
Energy: 1.9032960164270256
Energy: 1.7716003894603252
Energy: 2.0602827895549
Energy: 2.0455430978513567
Energy: 2.381462085838901
Energy: 1.9030001750330796
Energy: 1.9044090228103365
Energy: 1.8564662211599154
Energy: 1.9028256243721058
Energy: 2.0513056124165194

minimum gb energy = 1.7104141113797986 eV
minimum distance =  2.4028016727539 Angstroms
sigma value = 11


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

Energy: 2.661869456155839
Energy: 1.9609199361333782
Energy: 1.7744712355260646
Energy: 1.7780819440926907
Energy: 1.9433308632747055
Energy: 1.9427968194001033
Energy: 2.087842521190547
Energy: 1.9234877896830114
Energy: 1.8426599405587882
Energy: 1.84541541377452
Energy: 1.7760055431989228
Energy: 1.9960640114491142
Energy: 2.092746552978
Energy: 1.9441277203105078
Energy: 1.9560247385304854
Energy: 1.8459100885749389
Energy: 1.9491013882890045
Energy: 1.9967971995302825
Energy: 2.0882926702787743
Energy: 1.9598297830011675
Energy: 2.0164078552695455
Energy: 2.002651140643692
Energy: 1.9585325364336632
Energy: 1.9937741020764579
Energy: 2.0933692475321517
Energy: 1.9581276940582282
Energy: 1.9579299525181462
Energy: 2.0932382119650663
Energy: 1.9544793476488782
Energy: 2.1386772450447573
Energy: 2.0892589376879633
Energy: 1.9457547909194384
Energy: 1.9279210689057686
Energy: 2.0808250873382055
Energy: 1.9588283830750208
Energy: 2.078700365927891
Energy: 1.8426660499419902
Energy: 1.9505546181823163
Energy: 1.9589858446802861
Energy: 1.981552089238546
Energy: 1.9641088959231687
Energy: 1.8355413985591786
Energy: 1.769952305106286
Energy: 1.9448795386045672
Energy: 1.9470101938346105
Energy: 2.0810121843727836
Energy: 1.9461765358889338
Energy: 1.967114311237948
Energy: 1.8658247695464807
Energy: 1.7533379984089372
Energy: 1.9594421582451484
Energy: 2.0056018651963994
Energy: 1.9572491696451673
Energy: 1.7708716685801522
Energy: 1.594046403406919
Energy: 1.7564624982093142
Energy: 1.755475698191087
Energy: 2.0183319076596247
Energy: 1.7529919119173387
Energy: 1.592731356520211
Energy: 1.6870310302925213
Energy: 1.7532492284529662
Energy: 1.7558591402832746
Energy: 2.0016043162162096
Energy: 1.7506646447442535
Energy: 1.772217121648868
Energy: 1.6235834786726306
Energy: 1.7554991212423534
Energy: 1.9648624803368313
Energy: 1.9581108272593082
Energy: 1.925008648622518
Energy: 1.6297065293704645
Energy: 1.683235963380597
Energy: 1.760253891867259
Energy: 1.9361065601739929
Energy: 1.9890504611721007
Energy: 1.7582798615552953
Energy: 1.7322385950027606
Energy: 1.5903373741066034
Energy: 1.591909159317328
Energy: 1.8836485919517876
Energy: 2.127693376564452
Energy: 1.7520803709715829
Energy: 1.5912371232153029
Energy: 1.845845462552308
Energy: 1.766978933994176
Energy: 1.9947652748657994
Energy: 1.9588407562189045
Energy: 1.941861104893788
Energy: 1.8420528767894464
Energy: 2.006180973726484
Energy: 1.9511764514302545
Energy: 1.9463375678999366
Energy: 2.0839429459762373
Energy: 1.9465752208206393
Energy: 1.9785825455985344
Energy: 1.846296812816317
Energy: 1.9616850973432916
Energy: 1.990340278941464
Energy: 2.0021847145427913
Energy: 1.9607521844243663
Energy: 2.0284981336103756
Energy: 2.0935773509628413
Energy: 1.9602463194978619
Energy: 1.9486193233187399
Energy: 2.094948059160078
Energy: 1.9516823874082543
Energy: 2.085476701949902
Energy: 2.0932081779210345
Energy: 1.9473051662852918
Energy: 2.082591704526299
Energy: 2.0927066771003724
Energy: 1.9458234626299105
Energy: 1.9520406882041657
Energy: 1.9947605525402954
Energy: 1.9630170418105055
Energy: 1.9473592218964701
Energy: 1.8441611367501412
Energy: 1.9566264091951258
Energy: 1.959230014943394
Energy: 2.0963718851779847
Energy: 1.9458927418896654
Energy: 1.9656315824107136
Energy: 1.7778237381550677
Energy: 1.9483597960488146
Energy: 1.9470524381531928
Energy: 2.0972033342987624
Energy: 1.9592748445129544
Energy: 1.7566221686850676
Energy: 1.8469000061655678
Energy: 1.791275646743808
Energy: 1.958654833619011
Energy: 2.0960327148947813
Energy: 1.7529098395493203
Energy: 1.8328761607247248
Energy: 1.5905213064152488
Energy: 1.8269937258970153
Energy: 1.9610137809869324
Energy: 2.4636150021007883
Energy: 1.7508268684473471
Energy: 1.7784047874890239
Energy: 1.693551876881043
Energy: 1.7571786590704968
Energy: 1.9232670746136176
Energy: 2.4764918877265543
Energy: 1.9208148295105159
Energy: 1.6329383611456432
Energy: 1.6263524476554603
Energy: 1.9245565445029724
Energy: 1.9926298559089737
Energy: 2.0872032556585616
Energy: 1.7562965104540342
Energy: 1.7689792132869544
Energy: 1.6885951578477283
Energy: 1.7499639414231385
Energy: 1.887536642831761

minimum gb energy = 1.5903373741066034 eV
minimum distance =  2.38714672633656 Angstroms
sigma value = 41


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

Energy: 3.0392350056031066
Energy: 1.4791464463635464
Energy: 1.655439957438213
Energy: 1.6553674127916895
Energy: 1.5063269377979764
Energy: 1.9680035594229386
Energy: 2.4530907969482216
Energy: 1.7845927240485842
Energy: 1.6681669706935949
Energy: 1.6692073458365766
Energy: 1.615718434198901
Energy: 1.9047927078654212
Energy: 2.4647878556526313
Energy: 1.9051344771842118
Energy: 1.8450025502836342
Energy: 1.8042648206609126
Energy: 1.7958344934541048
Energy: 1.9052751017457639
Energy: 2.5047831196047956
Energy: 1.7960533797033853
Energy: 1.8454758595766736
Energy: 1.6709373946773463
Energy: 1.7935800491819824
Energy: 1.8417469460775835
Energy: 2.4546901122843634
Energy: 1.7947083551717535
Energy: 1.9286617355563562
Energy: 1.8940377985421781
Energy: 1.7966240001583762
Energy: 1.8418273081280763
Energy: 2.463027822840348
Energy: 1.8658333755042387
Energy: 1.8551285668297204
Energy: 1.8927300870617951
Energy: 1.9521588600595172
Energy: 1.8634882011155052
Energy: 2.1673201978099965
Energy: 1.8755496935900262
Energy: 1.8645463547288896
Energy: 1.8624969877806912
Energy: 1.8646662321198961
Energy: 1.86507551456197
Energy: 1.8677173631131658
Energy: 1.894883667797958
Energy: 1.875292084834294
Energy: 1.7953442177301497
Energy: 1.8778345814804862
Energy: 1.8415931296041572
Energy: 2.1706306942066664
Energy: 1.9510035317502863
Energy: 1.895433948056756
Energy: 1.8636866257091773
Energy: 1.9014192404591699
Energy: 1.7952449074347445
Energy: 1.8710653810106084
Energy: 1.7230249654654155
Energy: 1.7949880758119814
Energy: 1.959175824241437
Energy: 1.7950906696006708
Energy: 1.720874529023236
Energy: 1.7933839829336324
Energy: 1.8016343372806032
Energy: 1.795801496635552
Energy: 1.8907393127960495
Energy: 1.7946322864526556
Energy: 1.7574949576416874
Energy: 1.6698518553381565
Energy: 1.8021871210567042
Energy: 1.9061787142505575
Energy: 1.8633608590737651
Energy: 1.7951326772786271
Energy: 1.7383270364252776
Energy: 1.6659318789364281
Energy: 1.6185670350210666
Energy: 1.6130994081199297
Energy: 1.86379607085719
Energy: 1.6113837670505449
Energy: 1.6678232783918339
Energy: 1.5035621025360093
Energy: 1.6175250178162826
Energy: 1.7962152337935058
Energy: 1.792423539637455
Energy: 1.6168557723296029
Energy: 1.5072461812401987
Energy: 1.533565948091876
Energy: 1.6260106104519079
Energy: 1.8362945806657394
Energy: 1.8641723655836373
Energy: 1.770638523926519
Energy: 1.610822262620974
Energy: 1.5319114345856488
Energy: 1.6127433813905658
Energy: 1.793559496684651
Energy: 1.8641399669273413
Energy: 1.7804725636870193
Energy: 1.5318300989726106
Energy: 1.504192837580004
Energy: 1.5302646726253806
Energy: 1.7344188707098855
Energy: 1.922593303561139
Energy: 1.6132241599844397
Energy: 1.5060139822796854
Energy: 1.666148382501023
Energy: 1.6688160955452527
Energy: 1.6327793874491359
Energy: 1.8430319734330105
Energy: 1.6139681919959352
Energy: 1.667482462111844
Energy: 1.6670713363782526
Energy: 1.7957354963799765
Energy: 1.9048563053823124
Energy: 1.843024105517123
Energy: 1.7971797584037477
Energy: 1.7464849893917227
Energy: 1.7987613021598188
Energy: 1.794008465033528
Energy: 1.794685663218413
Energy: 1.839014514867113
Energy: 1.7963932512588792
Energy: 1.8418314965504254
Energy: 1.6694739072769804
Energy: 1.8443826119207691
Energy: 1.8435498602722526
Energy: 1.844839456570934
Energy: 1.7952115027784379
Energy: 1.7203517556306238
Energy: 2.1664207070773327
Energy: 1.8518545800400743
Energy: 1.8779976521912625
Energy: 1.8740545281275491
Energy: 1.9502708002868174
Energy: 1.7921903429684163
Energy: 1.87003720773134
Energy: 1.8646475174942225
Energy: 1.8756346609283536
Energy: 1.7942890290632907
Energy: 1.8780335837499793
Energy: 1.8632314982361133
Energy: 2.1665511600699805
Energy: 1.8754930465066608
Energy: 1.8627984389711323
Energy: 1.838594822936735
Energy: 1.8764718013882076
Energy: 1.8638991348372145
Energy: 2.478973585679082
Energy: 1.8643325289860049
Energy: 1.86610936021725
Energy: 1.8957140700810378
Energy: 1.8647926324970585
Energy: 1.8632129475878185
Energy: 2.1574031460732233
Energy: 1.797538315282788
Energy: 1.896312965056057
Energy: 1.894615049909983
Energy: 1.7930577403996621
Energy: 1.7926006684409976
Energy: 2.1750437486270218
Energy: 1.7969477140216288
Energy: 1.7578538369316232
Energy: 1.735197145174778
Energy: 1.796078060060306
Energy: 1.7947320664859823
Energy: 2.478255912298465
Energy: 1.7937620819267905
Energy: 1.8028227831100534
Energy: 1.7967177371859502
Energy: 1.7928335514794764
Energy: 1.9080589038637117
Energy: 2.1840884152886013
Energy: 1.8019398062969363
Energy: 1.6128946379579419
Energy: 1.669886174589331
Energy: 1.6132649452273606
Energy: 1.7927838548501005
Energy: 1.8645818657855564
Energy: 1.6124675228250853
Energy: 1.4684499311696804
Energy: 1.4676786430567652
Energy: 1.7210182816727366
Energy: 1.755554039529775
Energy: 2.1848015834183947
Energy: 1.6115764123296215
Energy: 1.6119793537323606
Energy: 1.530368744307655
Energy: 1.6122236648446686
Energy: 1.767607782645599
Energy: 2.463803352122766
Energy: 1.7962495291390026
Energy: 1.5335806220946309
Energy: 1.5059387053235005
Energy: 1.779809743841786
Energy: 1.8845336045993926
Energy: 2.4462246034414425
Energy: 1.612399638004435
Energy: 1.5304782861009774
Energy: 1.531433755384635
Energy: 1.6127608932556399
Energy: 1.732137290356993

minimum gb energy = 1.4676786430567652 eV
minimum distance =  2.37465719052198 Angstroms
sigma value = 33


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

Energy: 2.606227079343152
Energy: 1.3104883416473547
Energy: 1.500032671264259
Energy: 1.50114023980431
Energy: 1.500415859759417
Energy: 1.710923598849355
Energy: 2.6769670322940278
Energy: 1.4266533443083276
Energy: 1.4515392381516403
Energy: 1.4537654064191863
Energy: 1.4906018587542234
Energy: 1.592921133768998
Energy: 2.8951135012434372
Energy: 1.6704028921482086
Energy: 1.6116707483964035
Energy: 1.5499806508834113
Energy: 1.5903501963547941
Energy: 1.6759847843639977
Energy: 2.425923416378324
Energy: 1.5819463863776764
Energy: 1.5444566282013372
Energy: 1.4575946024186
Energy: 1.6031616249332
Energy: 1.636479020587657
Energy: 2.4216441138460953
Energy: 1.6207412665515155
Energy: 1.623911189618197
Energy: 1.7756690815450253
Energy: 1.5240606981332578
Energy: 1.64747673935536
Energy: 2.896853058030784
Energy: 1.6794682891841892
Energy: 1.682511374195444
Energy: 1.7766824589035903
Energy: 1.6863979514788774
Energy: 1.6771612073827178
Energy: 2.433625292464154
Energy: 1.6606142615167447
Energy: 1.6684163365984093
Energy: 1.7409123047802262
Energy: 1.6624625049272863
Energy: 1.6965762230403874
Energy: 1.9922143817462716
Energy: 1.6970668147353223
Energy: 1.7618798663556852
Energy: 1.7076011337336254
Energy: 1.763421332904522
Energy: 1.7064808644870229
Energy: 2.6656697220378747
Energy: 1.6978406183438006
Energy: 1.6871740337262269
Energy: 1.6655470440622115
Energy: 1.6915055062305666
Energy: 1.7029999208545243
Energy: 2.214402411991949
Energy: 1.7196751029333777
Energy: 1.703919467462118
Energy: 1.7037656207288512
Energy: 1.7063534874728241
Energy: 1.719672915998682
Energy: 1.9967292581788953
Energy: 1.7059300941493023
Energy: 1.7021949686288853
Energy: 1.7208670503982595
Energy: 1.7058303634323306
Energy: 1.7033953163180287
Energy: 2.003246526900178
Energy: 1.722809950242219
Energy: 1.7039924924861947
Energy: 1.704733555502019
Energy: 1.7066497697081549
Energy: 1.7183749480611314
Energy: 2.2298222368556635
Energy: 1.6848944351902848
Energy: 1.6915065325844194
Energy: 1.7029385462573179
Energy: 1.6849151336610648
Energy: 1.6647644967050534
Energy: 1.8259334467934938
Energy: 1.708307456654088
Energy: 1.6722528845272282
Energy: 1.703921682486302
Energy: 1.676223654681981
Energy: 1.7045285477159944
Energy: 1.8371698404543553
Energy: 1.66325665371241
Energy: 1.6609172048220784
Energy: 1.705145660557024
Energy: 1.6609263918856416
Energy: 1.702128346530685
Energy: 1.8014444589812357
Energy: 1.680063178749281
Energy: 1.632683529193129
Energy: 1.710289090179945
Energy: 1.633253745962181
Energy: 1.6507497780446
Energy: 1.6034820470361515
Energy: 1.7140568358618526
Energy: 1.6670203831443662
Energy: 1.6690614045552574
Energy: 1.5236280110135156
Energy: 1.5583795300795324
Energy: 1.6188736903438983
Energy: 1.525189337168086
Energy: 1.6033250908428682
Energy: 1.6973792870026132
Energy: 1.5851671609228932
Energy: 1.5422043086956427
Energy: 1.4513478535041688
Energy: 1.5101437156829114
Energy: 1.656529437194569
Energy: 1.6681969203666505
Energy: 1.5944903436728035
Energy: 1.4916430557974616
Energy: 1.4536254285170869
Energy: 1.4208137120755244
Energy: 1.4238314703632424
Energy: 1.6421052813107255
Energy: 1.4630365208666416
Energy: 1.4570774374113395
Energy: 1.3325686354304778
Energy: 1.3523240088962505
Energy: 1.527309994467794
Energy: 1.6655195636970308
Energy: 1.4360711966445432
Energy: 1.3393563651923728
Energy: 1.360777363048102
Energy: 1.4231706668861495
Energy: 1.6896169496917768
Energy: 1.679665414058736
Energy: 1.4311022010631065
Energy: 1.352125384867336
Energy: 1.350499014169994
Energy: 1.4237151159115446
Energy: 1.585119889258909
Energy: 1.6362518147607292
Energy: 1.4320850150566578
Energy: 1.3544428396817985
Energy: 1.3359443732713698
Energy: 1.3338841509991353
Energy: 1.6758118246892468
Energy: 1.6260126809680853
Energy: 1.3525056637513653
Energy: 1.3390901219049425
Energy: 1.451877568881116
Energy: 1.4283085024707078
Energy: 1.5794930277451944
Energy: 1.7010206004936494
Energy: 1.4230437347615688
Energy: 1.4527520091149164
Energy: 1.4528274642520413
Energy: 1.6025238532430466
Energy: 1.6717837424386293
Energy: 1.709230135084794
Energy: 1.578888278673194
Energy: 1.5426431664328537
Energy: 1.5519554556587476
Energy: 1.5842972240733182
Energy: 1.58243032284012
Energy: 1.697642246775819
Energy: 1.6009853385726942
Energy: 1.5485947485583567
Energy: 1.7965288860928206
Energy: 1.6239525647759039
Energy: 1.6312973828233748
Energy: 1.69670245892831
Energy: 1.5843970114722714
Energy: 1.624794475254959
Energy: 1.8011452572241817
Energy: 1.6811613768801699
Energy: 1.681504817533159
Energy: 1.703140208071342
Energy: 1.7101301250800054
Energy: 1.5481943703726635
Energy: 2.1182308692863145
Energy: 1.6636694051591403
Energy: 1.6609689217184436
Energy: 1.7048742011487488
Energy: 1.6612258261384154
Energy: 1.6934860814100952
Energy: 1.7980740250954608
Energy: 1.7613936248103248
Energy: 1.704459332803844
Energy: 1.7554531703654186
Energy: 1.6973642357157233
Energy: 1.701328841788433
Energy: 2.2141805370897107
Energy: 1.6840541659531323
Energy: 1.6984801294422778
Energy: 1.703793814408636
Energy: 1.6986729808088263
Energy: 1.6674973502351556
Energy: 2.2441054110746435
Energy: 1.7050878114880215
Energy: 1.705042897726899
Energy: 1.6969279002840423
Energy: 1.7071207287812364
Energy: 1.7132783358857646
Energy: 2.2156264847171365
Energy: 1.703398806136059
Energy: 1.7020723883184712
Energy: 1.7340849474408708
Energy: 1.7054563635408126
Energy: 1.7128673719003071
Energy: 2.214088382255407
Energy: 1.7052290547607796
Energy: 1.701982996048014
Energy: 1.7313427382315656
Energy: 1.71541967927482
Energy: 1.7035291015524239
Energy: 2.4284487046106915
Energy: 1.6944140770001854
Energy: 1.6859285491812233
Energy: 1.829409577891076
Energy: 1.6863648747453277
Energy: 1.6962273272105948
Energy: 2.210686126291608
Energy: 1.6968289538857275
Energy: 1.728194776265192
Energy: 1.6718596038154283
Energy: 1.730239923469092
Energy: 1.705917277660991
Energy: 2.441116303000181
Energy: 1.66046033524416
Energy: 1.6797790832004909
Energy: 1.6882745953860385
Energy: 1.6615650381000857
Energy: 1.6931054587713625
Energy: 2.898697452608791
Energy: 1.7097600403600277
Energy: 1.680537581468971
Energy: 1.7712495110779325
Energy: 1.6797949601732436
Energy: 1.7096242174934264
Energy: 2.4231761477879474
Energy: 1.6024551890046534
Energy: 1.62727860942825
Energy: 1.6258713695847449
Energy: 1.5236745014359852
Energy: 1.6731648888599546
Energy: 2.4218992581315493
Energy: 1.6023570440965302
Energy: 1.529342259904733
Energy: 1.5445167010410592
Energy: 1.5232853700728934
Energy: 1.6044497691179775
Energy: 2.8854229929543154
Energy: 1.6755315263766202
Energy: 1.5416050551505824
Energy: 1.4555268961779297
Energy: 1.613821014122046
Energy: 1.6563893580375344
Energy: 2.4280870613292125
Energy: 1.4395878410514062
Energy: 1.4511023328452508
Energy: 1.4527389186151611
Energy: 1.423861962862878
Energy: 1.4280976314944274
Energy: 2.4245008278727718
Energy: 1.3521039545731157
Energy: 1.338681129785499
Energy: 1.3386193334580827
Energy: 1.3587395853103716
Energy: 1.6940686286481117
Energy: 2.6600535290570333
Energy: 1.4267540591389918
Energy: 1.4586022782637746
Energy: 1.354226213374354
Energy: 1.4290715166125043
Energy: 1.584564110851226
Energy: 2.892230886632503
Energy: 1.622292494060283
Energy: 1.4348667005289577
Energy: 1.3596940748499489
Energy: 1.4226600751067533
Energy: 1.669117837497476
Energy: 2.4199373496207794
Energy: 1.351009281803347
Energy: 1.3352467620497537
Energy: 1.33378163272085
Energy: 1.3508955389642812
Energy: 1.625663793577002

minimum gb energy = 1.3104883416473547 eV
minimum distance =  2.41740149711133 Angstroms
sigma value = 67


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

Energy: 0.39834849948512807
Energy: 0.3987529718079457
Energy: 0.8029293172133488
Energy: 0.5958015269216951
Energy: 0.8061980132073888
Energy: 0.3986631874821773
Energy: 0.39966909602997364
Energy: 0.59606673353966
Energy: 0.596113352664806
Energy: 0.5959660540132795
Energy: 0.5964373295009213
Energy: 0.5961910147076344
Energy: 27.292821004084704
Energy: 0.596260255871581
Energy: 0.5964051926340997
Energy: 2.0013877979223307
Energy: 0.5963711544170895
Energy: 0.5963217978570446
Energy: 0.3985218356544275
Energy: 0.5965787429920136
Energy: 0.596702776026093
Energy: 0.5958096279702783
Energy: 0.5965688206642921
Energy: 0.3987784419257208
Energy: 0.3992839929280998
Energy: 0.6312678510437141
Energy: 0.5977146066626607
Energy: 0.5991117860268356
Energy: 0.5976163007208933
Energy: 0.4000461174809806
Energy: 27.33568254440683
Energy: 0.5963390004024243
Energy: 0.5966309293686552
Energy: 0.5959332587775423
Energy: 0.5962969445890742
Energy: 0.5964754051970588
Energy: 0.3991314155873958
Energy: 0.5961413751785588
Energy: 0.5961763628471691
Energy: 2.004953528881246
Energy: 0.5961288652867796
Energy: 0.5961823849209477

minimum gb energy = 0.39834849948512807 eV
minimum distance =  2.65866640217286 Angstroms
sigma value = 3


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

Energy: 3.070960167022781
Energy: 1.5468032907341243
Energy: 1.5684780190031071
Energy: 1.568949888562922
Energy: 1.679245921777759
Energy: 1.6558504297474606
Energy: 2.8388189832882698
Energy: 1.5659981799447407
Energy: 1.3079594431414487
Energy: 1.3130750501957897
Energy: 1.309103003136366
Energy: 1.6127825143825198
Energy: 2.793028180058444
Energy: 1.5648188517673212
Energy: 1.307072790720636
Energy: 1.311566035905915
Energy: 1.307596303643483
Energy: 1.6148396089077177
Energy: 2.82147989351025
Energy: 1.4232623828535003
Energy: 1.30469501249251
Energy: 1.3097794807260383
Energy: 1.3058192042447883
Energy: 1.605130910548161
Energy: 2.7836742504619485
Energy: 1.426273758996082
Energy: 1.4182463373845593
Energy: 1.4379005503281586
Energy: 1.4223067506802094
Energy: 1.6056559475032137
Energy: 2.789496546191047
Energy: 1.5642021845654661
Energy: 1.4460900474765164
Energy: 1.4507687329590158
Energy: 1.44659355860764
Energy: 1.6530586678499006
Energy: 2.8299180299921467
Energy: 1.606045518916542
Energy: 1.424364617657785
Energy: 1.4384651678148386
Energy: 1.425673380719597
Energy: 1.6137486331073636
Energy: 2.6237949665132225
Energy: 1.6038831259330548
Energy: 1.6037931906109033
Energy: 1.4838771700292093
Energy: 1.5993747176979345
Energy: 1.6738421298496478
Energy: 2.7990017164750287
Energy: 1.6120647181213357
Energy: 1.6088675561440409
Energy: 1.6151285104145636
Energy: 1.6141607607726416
Energy: 1.609986338717682
Energy: 2.795568423377919
Energy: 1.6757877643573664
Energy: 1.6065475379084542
Energy: 1.6249217949367942
Energy: 1.6038542316674096
Energy: 1.6761029191633667
Energy: 2.5976274859997055
Energy: 1.6750700266845366
Energy: 1.6878482523507121
Energy: 1.6732641078487898
Energy: 1.6761222116329462
Energy: 1.6736267710079769
Energy: 2.5755135411521985
Energy: 1.6753149315368288
Energy: 1.6801394515666457
Energy: 1.8125030446542296
Energy: 1.6870394664553203
Energy: 1.677041952799929
Energy: 2.589724155696255
Energy: 1.677688298997143
Energy: 1.6778541259347666
Energy: 1.646253220784432
Energy: 1.6789399147202182
Energy: 1.716477355378576
Energy: 2.601608970462901
Energy: 1.6999016452721998
Energy: 1.676173212992561
Energy: 1.6756856733516863
Energy: 1.7301938895918603
Energy: 1.7009425977768808
Energy: 2.2040945456561296
Energy: 1.7033806316867557
Energy: 1.7065347264635973
Energy: 1.680401776388199
Energy: 1.7056581410859672
Energy: 1.7003940021738295
Energy: 2.2351731420385463
Energy: 1.6992546229970849
Energy: 1.6995482248351519
Energy: 1.6942997532863702
Energy: 1.702656210201581
Energy: 1.698321807687979
Energy: 2.180907297678433
Energy: 1.7112859951639032
Energy: 1.6997173907284593
Energy: 1.6969910547763627
Energy: 1.7019039217680338
Energy: 1.6763425203359779
Energy: 2.2056671384625757
Energy: 1.6747229508407286
Energy: 1.6777421925224565
Energy: 1.7003992677092576
Energy: 1.6748356050866255
Energy: 1.6800063571345853
Energy: 2.1795163532775113
Energy: 1.677200744416502
Energy: 1.673973339639539
Energy: 1.6961078916612962
Energy: 1.6739647231893204
Energy: 1.6788630175449657
Energy: 1.8263537344184813
Energy: 1.6903442640823372
Energy: 1.674304791407178
Energy: 1.6957761727422689
Energy: 1.6745085154820274
Energy: 1.6632501308793135
Energy: 1.8143100897273152
Energy: 1.6056822117257576
Energy: 1.675446683034785
Energy: 1.7324057866987685
Energy: 1.6488310593046414
Energy: 1.6073293798033728
Energy: 1.8838970802828696
Energy: 1.6127419370838705
Energy: 1.6083406641488414
Energy: 1.7336316879087201
Energy: 1.6126708593606005
Energy: 1.6125402135098488
Energy: 1.4994072788502009
Energy: 1.6078589063231294
Energy: 1.647609944648696
Energy: 1.700952376062775
Energy: 1.5987998757981619
Energy: 1.5020838375166188
Energy: 1.4577982158792702
Energy: 1.4232962748303415
Energy: 1.6126596844776047
Energy: 1.6755677158855458
Energy: 1.6136993450644463
Energy: 1.4246544000417607
Energy: 1.5075848932286398
Energy: 1.4537965176705254
Energy: 1.566774267340289
Energy: 1.6777722239044315
Energy: 1.5643579874301736
Energy: 1.4476175337362946
Energy: 1.4617048958698067
Energy: 1.4231441846225055
Energy: 1.5545283391912579
Energy: 1.6514556622439696
Energy: 1.4228802345446254
Energy: 1.4174778901832745
Energy: 1.3194746940230382
Energy: 1.3055306396807926
Energy: 1.5551555036398494
Energy: 1.6533666116845025
Energy: 1.4230980655688155
Energy: 1.305044833713065
Energy: 1.312482385231311
Energy: 1.307437530192386
Energy: 1.5650121655236051
Energy: 1.654506560277985
Energy: 1.4249627269366942
Energy: 1.3070093623979555
Energy: 1.3131179704606861
Energy: 1.3097577291530624
Energy: 1.5700670429866561
Energy: 1.651551045007325
Energy: 1.4466222610495014
Energy: 1.3106213982335342
Energy: 1.305289913166742
Energy: 1.4162668572756123
Energy: 1.604646028584736
Energy: 1.6728812223565248
Energy: 1.4164286126411438
Energy: 1.4235159346348805
Energy: 1.512339830706733
Energy: 1.453830396138242
Energy: 1.565928915874975
Energy: 1.6761912309547593
Energy: 1.4532159055008023
Energy: 1.4540828735447349
Energy: 1.4549367401842261
Energy: 1.423301984467977
Energy: 1.6140214928631675
Energy: 1.6771882075986966
Energy: 1.4769849762638914
Energy: 1.4267631824200215
Energy: 1.4915611912343034
Energy: 1.5036619105582318
Energy: 1.6059317395845576
Energy: 1.698052375259836
Energy: 1.605215887705475
Energy: 1.5077282678890889
Energy: 1.8149271760347663
Energy: 1.607168204650579
Energy: 1.6164521864719636
Energy: 1.6775656088069573
Energy: 1.6058834866247034
Energy: 1.6084306311977596
Energy: 1.8112425725091197
Energy: 1.606518699039223
Energy: 1.6130189468401432
Energy: 1.7309637533687783
Energy: 1.6046257202084293
Energy: 1.6087200384424656
Energy: 1.808592119167148
Energy: 1.6463825075034406
Energy: 1.6776568785247439
Energy: 1.6772687061196843
Energy: 1.67850636393982
Energy: 1.6071899606517
Energy: 1.8514757428592072
Energy: 1.6846887823721717
Energy: 1.6744059690910658
Energy: 1.700402531697839
Energy: 1.6750427658940685
Energy: 1.688309844862795
Energy: 2.1127833459043996
Energy: 1.6755401547399205
Energy: 1.677309513794541
Energy: 1.7002430338440329
Energy: 1.6779427039124752
Energy: 1.6826419888497945
Energy: 2.197639208426396
Energy: 1.6733708322966394
Energy: 1.700653385716907
Energy: 1.6981757439991867
Energy: 1.7178786021233452
Energy: 1.6790550471263068
Energy: 2.2073592329562817
Energy: 1.7039731245010812
Energy: 1.7001991281761357
Energy: 1.6763709805265798
Energy: 1.701820494020235
Energy: 1.7302286051883649
Energy: 2.373436711192924
Energy: 1.7029897753050376
Energy: 1.703121880004888
Energy: 1.6986678282159846
Energy: 1.7030525250110153
Energy: 1.6997504291536119
Energy: 2.436252352218267
Energy: 1.7045551342605327
Energy: 1.701958349196456
Energy: 1.688080070143407
Energy: 1.7021513721199308
Energy: 1.6987808099618602
Energy: 2.5805949562804225
Energy: 1.7274444426546731
Energy: 1.677300062402011
Energy: 1.6769833200339848
Energy: 1.6774872785348072
Energy: 1.6989079408244923
Energy: 2.5804564807953994
Energy: 1.67882795193123
Energy: 1.6760993442008951
Energy: 1.6772923033713731
Energy: 1.6774694376997135
Energy: 1.6816649127087837
Energy: 2.589123022609407
Energy: 1.674851623256408
Energy: 1.6899121029403517
Energy: 1.7175451729986957
Energy: 1.6817614946609103
Energy: 1.6929000953816133
Energy: 2.7883150880083054
Energy: 1.6756091553739434
Energy: 1.6100731212949322
Energy: 1.6086413810762996
Energy: 1.6490069624153225
Energy: 1.6779606761643
Energy: 2.792617049150704
Energy: 1.6136819192031204
Energy: 1.6162890462575652
Energy: 1.6139357893095516
Energy: 1.610140385089542
Energy: 1.66084518002256
Energy: 2.8083453289909324
Energy: 1.6074603102665832
Energy: 1.6038424025862434
Energy: 1.609462308581917
Energy: 1.6046178460616407
Energy: 1.6461489704237344
Energy: 2.7778611062358753
Energy: 1.604760162369537
Energy: 1.5037488139951305
Energy: 1.5014639761635147
Energy: 1.4958283829435313
Energy: 1.6472343269914342
Energy: 2.7894500083202267
Energy: 1.6121863325041117
Energy: 1.4231748732125005
Energy: 1.4372612662938775
Energy: 1.4228490948032204
Energy: 1.6140189774347524
Energy: 2.836032650050748
Energy: 1.4540001204620203
Energy: 1.4462593668330046
Energy: 1.4509406134116931
Energy: 1.4457891237432354
Energy: 1.6117764188607582

minimum gb energy = 1.30469501249251 eV
minimum distance =  2.38964709854511 Angstroms
sigma value = 81


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

Energy: 3.2625524446890197
Energy: 1.7891091805599946
Energy: 1.7451500370630437
Energy: 1.748078977899169
Energy: 1.8933508484554558
Energy: 1.902482311054893
Energy: 2.4153906781481322
Energy: 1.647472094257124
Energy: 1.4550719491025987
Energy: 1.4565751347998324
Energy: 1.4551316778822199
Energy: 1.844786066078669
Energy: 2.42603009976599
Energy: 1.6280310017784663
Energy: 1.4547531729049223
Energy: 1.456993983397277
Energy: 1.4553716820866758
Energy: 1.8463033411737884
Energy: 2.4241380872906815
Energy: 1.6128301113468504
Energy: 1.460470070906801
Energy: 1.4633900794725196
Energy: 1.4540183934781565
Energy: 1.8407813627972018
Energy: 2.4536441626365773
Energy: 1.6123877562708888
Energy: 1.6068985218707788
Energy: 1.608152241697717
Energy: 1.6106355804322394
Energy: 1.8412781997815515
Energy: 2.430349542962664
Energy: 1.6181403030337007
Energy: 1.6459699222503945
Energy: 1.6448960849632364
Energy: 1.6467281998460228
Energy: 1.8483183102999765
Energy: 2.4290690770009187
Energy: 1.8458272803120128
Energy: 1.6118030183432601
Energy: 1.608190980970122
Energy: 1.6125920830696867
Energy: 1.8437860863596671
Energy: 2.742328407181232
Energy: 1.8449710342281
Energy: 1.8593428060414665
Energy: 1.7099451518881057
Energy: 1.85892914059423
Energy: 1.8930307981322032
Energy: 2.431011475591161
Energy: 1.8633208034945588
Energy: 1.8431101398514105
Energy: 1.8002323680658276
Energy: 1.8646158445206629
Energy: 1.8648475351527563
Energy: 2.428903987012896
Energy: 1.9177085781479875
Energy: 1.8408201640247723
Energy: 1.8467636985558
Energy: 1.8412024039121277
Energy: 1.892989941311176
Energy: 2.165919317058077
Energy: 1.891921345103955
Energy: 1.912772453234958
Energy: 1.8481398230683954
Energy: 1.9096583824208773
Energy: 1.8925141710766176
Energy: 2.4253614584323446
Energy: 1.890589666297998
Energy: 1.8902713330613508
Energy: 2.2807760276461915
Energy: 1.8933122066712007
Energy: 1.8911968657734026
Energy: 2.159770926869462
Energy: 1.9390732242395063
Energy: 1.8920482780839998
Energy: 1.8802934716664903
Energy: 1.894777581214608
Energy: 1.8420896113245122
Energy: 2.1671861354945308
Energy: 1.8447222694498893
Energy: 1.8935406384748834
Energy: 1.9546858764154953
Energy: 1.8849359638480203
Energy: 1.845013940543073
Energy: 2.2177765349331784
Energy: 1.8451638799720063
Energy: 1.8659507427126472
Energy: 1.9538714156029708
Energy: 1.8646361837102898
Energy: 1.8465960675776834
Energy: 1.7209082622798013
Energy: 1.8642491477399465
Energy: 1.8870558712870389
Energy: 1.8797304618002881
Energy: 1.8479697373766921
Energy: 1.724540824250705
Energy: 1.6580647908604373
Energy: 1.6120307127835136
Energy: 1.845247496482615
Energy: 1.8810785023010637
Energy: 1.8455497134536123
Energy: 1.6119545253378158
Energy: 1.7234047762463922
Energy: 1.6467436857915927
Energy: 1.7940783827408646
Energy: 1.9072185700874944
Energy: 1.7910761946466978
Energy: 1.6419291814279398
Energy: 1.6676407165208427
Energy: 1.6119671499583879
Energy: 1.7848306742992297
Energy: 1.8783308827589094
Energy: 1.6106364295789677
Energy: 1.607150898537453
Energy: 1.4582332200838466
Energy: 1.4580724741474358
Energy: 1.78480113352618
Energy: 1.879015977182072
Energy: 1.6103638891264396
Energy: 1.4610388508358472
Energy: 1.4547190348033403
Energy: 1.454461005617163
Energy: 1.7898443205401702
Energy: 1.9545213244089041
Energy: 1.6119937999610157
Energy: 1.4534361228806008
Energy: 1.456935107973807
Energy: 1.4556699596413103
Energy: 1.8236544619924453
Energy: 1.9104770625020486
Energy: 1.6479680103183039
Energy: 1.4546648255907122
Energy: 1.7456919606268473
Energy: 1.8932446184827427
Energy: 1.856048981801024
Energy: 1.8935246062471491
Energy: 1.893944708370986
Energy: 1.7442973332258271
Energy: 1.7061491545813783
Energy: 1.6458895095306922
Energy: 1.82308407060722
Energy: 1.8917321558214877
Energy: 1.646731950056284
Energy: 1.650856318261128
Energy: 1.6603562289294211
Energy: 1.6109386503281213
Energy: 1.8470405416229339
Energy: 1.9098681949331329
Energy: 1.6120565330009076
Energy: 1.6065880285617904
Energy: 1.705114107029482
Energy: 1.6490327736016164
Energy: 1.8419373845827554
Energy: 1.8901122169286375
Energy: 1.84112420034156
Energy: 1.7189619586191027
Energy: 2.1600592829195286
Energy: 1.8424035307171236
Energy: 1.841375697264185
Energy: 1.890731455534272
Energy: 1.8408729679204596
Energy: 1.8502672341372988
Energy: 1.9575962185618456
Energy: 1.8455849866965301
Energy: 1.8465192896455482
Energy: 1.9277948958263154
Energy: 1.8432791275010916
Energy: 1.8411430848144055
Energy: 2.1627537846116054
Energy: 1.8450210264270006
Energy: 1.8902271803868336
Energy: 1.8909500284072853
Energy: 1.893400494582383
Energy: 1.8465035153554
Energy: 2.1888168763346108
Energy: 1.9278556527841053
Energy: 1.8944821700599013
Energy: 1.8400081153143208
Energy: 1.9201995289395455
Energy: 1.9115453905924216
Energy: 2.4444436728548418
Energy: 1.8949766927901102
Energy: 1.9102811594907314
Energy: 1.8503210616741579
Energy: 1.9214344293664254
Energy: 1.880837900108173
Energy: 2.425570007615391
Energy: 1.8900283856604714
Energy: 1.8448013096814933
Energy: 1.8497886530862748
Energy: 1.9326777216736628
Energy: 1.8902253088266356
Energy: 2.4257690648782826
Energy: 1.8445323518971768
Energy: 1.8440903075885744
Energy: 1.8402030848882716
Energy: 1.845646193710881
Energy: 1.8959713274507592
Energy: 2.419018282396841
Energy: 1.8419266470341784
Energy: 1.8467041220211113
Energy: 2.033986012797628
Energy: 1.8417674990620783
Energy: 1.882691494424066
Energy: 2.4392834749731653
Energy: 1.842168379262558
Energy: 1.7217291666425398
Energy: 1.7111103366575935
Energy: 1.718924649949635
Energy: 1.8866416794870846
Energy: 2.4297177455284706
Energy: 1.8460773600896783
Energy: 1.6111056036747005
Energy: 1.6258681358435079
Energy: 1.6118837687919518
Energy: 1.8460973802510514
Energy: 2.424396072948945
Energy: 1.7904296651847538
Energy: 1.6464076609287226
Energy: 1.6446356535955227
Energy: 1.6464255901380462
Energy: 1.8461697332071285
Energy: 3.0355888209459994
Energy: 1.612519969179828
Energy: 1.6063189858138442
Energy: 1.4672130750248826
Energy: 1.6071256916444399
Energy: 1.886765676070759

minimum gb energy = 1.4534361228806008 eV
minimum distance =  2.49294678567737 Angstroms
sigma value = 43


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

Energy: 2.9720447615058148
Energy: 1.969653392013288
Energy: 1.8648803959237557
Energy: 1.8677725003194976
Energy: 2.0506544777000433
Energy: 2.0439036459418274
Energy: 2.176836039501088
Energy: 1.7862075458855076
Energy: 1.5547861972326942
Energy: 1.5536272960453765
Energy: 1.5545712199386514
Energy: 2.0008019172328027
Energy: 2.1619822862979903
Energy: 1.7633256654970746
Energy: 1.5551910037444447
Energy: 1.5564624229922093
Energy: 1.5550870748841197
Energy: 2.0071529718152425
Energy: 2.8119993254712554
Energy: 1.748060261252574
Energy: 1.5597966546779027
Energy: 1.5617516130384463
Energy: 1.5533626982216158
Energy: 2.001285975299621
Energy: 2.166820582025665
Energy: 1.7482369601809986
Energy: 1.7456150925870693
Energy: 1.7468898163463684
Energy: 1.7471579244088467
Energy: 2.0013688968203134
Energy: 2.180610860891414
Energy: 1.7572920470527265
Energy: 1.7836282580808533
Energy: 1.7878322908464217
Energy: 1.7842057438035859
Energy: 1.9508801574476529
Energy: 2.1618907893639356
Energy: 2.0017519558143575
Energy: 1.7468628112506461
Energy: 1.7474143438738936
Energy: 1.7485712049228541
Energy: 2.0012119577595464
Energy: 2.4640969931150165
Energy: 2.0204699344966883
Energy: 2.0374872009906184
Energy: 1.7463034646566913
Energy: 2.0380787184041855
Energy: 2.004599957605264
Energy: 2.146238824126081
Energy: 2.02223803747624
Energy: 2.00176844162983
Energy: 1.9473107872147297
Energy: 2.018609497680584
Energy: 2.01924305182412
Energy: 2.4465770388661396
Energy: 2.0012825545460795
Energy: 2.0036706005135385
Energy: 2.0148915335065825
Energy: 2.002258630852681
Energy: 2.0262841040477637
Energy: 2.471847921989485
Energy: 1.9993964669937043
Energy: 2.037386525553634
Energy: 2.0124433183808956
Energy: 2.0182090985320498
Energy: 2.001306664658403
Energy: 2.162080534982226
Energy: 2.000715456676819
Energy: 2.0018384291651077
Energy: 2.0236633787826768
Energy: 2.001700939840079
Energy: 2.014561886164088
Energy: 1.868454969909542
Energy: 1.879198238406807
Energy: 2.025634120271691
Energy: 2.02486690581378
Energy: 2.002403590453078
Energy: 1.7829430109928361
Energy: 1.8163229482666339
Energy: 1.7473668231884119
Energy: 2.0051002079973816
Energy: 2.1058897879313636
Energy: 1.9505251492624398
Energy: 1.7475199589134882
Energy: 1.8680779495518955
Energy: 1.7836769306131557
Energy: 1.9490980246839222
Energy: 2.003072730466411
Energy: 1.784327950412536
Energy: 1.7873336303408769
Energy: 1.5818257785068583
Energy: 1.746544122383044
Energy: 1.9481345580391736
Energy: 2.024782732500364
Energy: 1.7471837646288186
Energy: 1.582381094242867
Energy: 1.5534331112239455
Energy: 1.5548387456383106
Energy: 1.9501397104994034
Energy: 2.0953001467015593
Energy: 1.554687894786749
Energy: 1.5554939315925531
Energy: 1.5565441419530632
Energy: 1.5548578265436808
Energy: 1.9516400632706516
Energy: 2.105422499667341
Energy: 1.7708742303284277
Energy: 1.5549138879297975
Energy: 1.5602074194761981
Energy: 1.5535573058979233
Energy: 1.7493111090050537
Energy: 1.999338821300106
Energy: 1.7473885503445181
Energy: 1.5587012653711025
Energy: 1.828299474581337
Energy: 1.7458453841400265
Energy: 1.7477501613236386
Energy: 1.9999746797821518
Energy: 1.748046426067963
Energy: 1.7459843544278537
Energy: 1.886442615308297
Energy: 1.7841464323511427
Energy: 1.9513059526829177
Energy: 2.0202056827925605
Energy: 1.7849810549720762
Energy: 1.7872421860454495
Energy: 1.8295960497001602
Energy: 1.7465263275377512
Energy: 2.0012857689713353
Energy: 2.104852753993018
Energy: 1.7477149429692838
Energy: 1.7460902568579633
Energy: 1.8296959310642036
Energy: 2.0270838225954986
Energy: 2.0359864869838527
Energy: 2.1540795931478076
Energy: 2.0300629279027245
Energy: 1.8800633515281684
Energy: 2.1118673017834833
Energy: 1.9996169178060013
Energy: 2.0227540158991024
Energy: 2.052879243765507
Energy: 2.017956172423402
Energy: 1.9993122242493548
Energy: 2.4478389710140496
Energy: 2.0018276702762154
Energy: 2.001777410834767
Energy: 2.027171164932723
Energy: 2.0430401968496126
Energy: 2.0010151176391386
Energy: 2.1602743312823853
Energy: 2.0419060692899893
Energy: 2.001764424219858
Energy: 2.0090057257638287
Energy: 2.0010827156382254
Energy: 2.013706868733806
Energy: 2.11109745642185
Energy: 2.001604703975312
Energy: 2.001095626148354
Energy: 2.0141399538854134
Energy: 2.0022719821617128
Energy: 2.020581400546528
Energy: 2.8229828996113238
Energy: 2.00408353540304
Energy: 1.8947363383110043
Energy: 1.784671487040033
Energy: 1.8816580316731202
Energy: 2.0265213358267924
Energy: 2.1650624575994084
Energy: 2.0047203526077153
Energy: 1.7482198837016836
Energy: 1.7466228404254889
Energy: 1.7473506789472075
Energy: 2.022782290322523
Energy: 2.1817166715042107
Energy: 1.951143029831811
Energy: 1.7836086672633078
Energy: 1.789069057640135
Energy: 1.78423698837323
Energy: 2.0053536478784517
Energy: 2.815010493687575
Energy: 1.7490310741459205
Energy: 1.7460505426886648
Energy: 1.5836865914076717
Energy: 1.7476908292180213
Energy: 1.9508351533829924

minimum gb energy = 1.5533626982216158 eV
minimum distance =  2.46985854768402 Angstroms
sigma value = 57


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

Energy: 2.517417846834787
Energy: 2.1927438308997242
Energy: 1.688406613196364
Energy: 2.0145647760580507
Energy: 2.254906969684051
Energy: 2.1932803455477416
Energy: 2.1277454890222325
Energy: 1.958032304220787
Energy: 1.688972199210791
Energy: 1.6871788822631435
Energy: 1.6597492205155169
Energy: 2.1614494872084276
Energy: 2.059610866022324
Energy: 1.9584487270181365
Energy: 1.6864056895459871
Energy: 1.6879493754610464
Energy: 1.6879032945002534
Energy: 2.137914208841901
Energy: 2.956138872902929
Energy: 1.9338578819674432
Energy: 1.660626001166179
Energy: 1.6920449424641317
Energy: 1.660320858275645
Energy: 2.164849987264931
Energy: 2.9641298597287276
Energy: 1.9213136065487335
Energy: 1.9330013533253059
Energy: 1.9354325257572598
Energy: 1.931507984689092
Energy: 2.160209120028667
Energy: 2.0596174965137917
Energy: 1.9220705878624265
Energy: 1.958954712211368
Energy: 1.9630401240721453
Energy: 1.956723854758736
Energy: 2.1357321190627445
Energy: 2.0674344824828306
Energy: 2.1606452118547357
Energy: 1.9205773973316558
Energy: 1.9341593450675607
Energy: 1.9926110680267135
Energy: 2.167589740675152
Energy: 2.111240420731763
Energy: 2.1697771507940415
Energy: 2.011081741418252
Energy: 1.9609282936985855
Energy: 2.19031265938314
Energy: 2.168785077183456
Energy: 1.6916022222608929
Energy: 2.188513357271634
Energy: 2.1389066347396635
Energy: 2.136987418949639
Energy: 2.180909380213026
Energy: 1.9932057939694743
Energy: 2.0707624858845475
Energy: 1.9211654530739943
Energy: 2.1599127477422315
Energy: 2.1331809849552785
Energy: 2.1680913979087153
Energy: 1.9329174206643087
Energy: 2.0624340957293232
Energy: 1.9317354100852537
Energy: 2.136521368390124
Energy: 2.223532230158338
Energy: 1.921582665030328
Energy: 1.957281911058125
Energy: 2.0660704455509737
Energy: 1.922891109865063
Energy: 1.9222419700288453
Energy: 2.133798023778114
Energy: 1.9206586153296992
Energy: 1.924490398740055
Energy: 1.6611628848247852
Energy: 1.6613349054338815
Energy: 2.1658325959004414
Energy: 2.135191420142312
Energy: 1.9336800045475613
Energy: 1.6614919045841028
Energy: 1.6871044472970118
Energy: 1.6868929248030697
Energy: 2.1460232394220684
Energy: 2.223321292313062
Energy: 1.6871351553655036
Energy: 1.6860130844553203
Energy: 1.6902271341697426
Energy: 1.6890449155283853
Energy: 1.9574528232245423
Energy: 2.224284201047447
Energy: 1.6878276574894224
Energy: 1.6885579546221186
Energy: 1.6594686229334599
Energy: 1.688644249447039
Energy: 2.1661529736744423
Energy: 2.165275102222961
Energy: 1.9348852009911035
Energy: 1.6626206549562568
Energy: 2.06616727746391
Energy: 1.9219108678883163
Energy: 1.9575836101012103
Energy: 2.224434766013747
Energy: 1.9221239165596828
Energy: 1.9217509421174617
Energy: 2.0641339034771855
Energy: 1.9195905474847994
Energy: 2.1451341443487077
Energy: 2.224535193336293
Energy: 1.921289843187515
Energy: 1.9212519613470211
Energy: 2.0979496677011036
Energy: 1.9987134546995078
Energy: 2.1645129530675917
Energy: 2.1610699590855704
Energy: 2.171353632744771
Energy: 1.9333904950172143
Energy: 2.0951761292718123
Energy: 2.1845211980282717
Energy: 2.167464755283649
Energy: 2.1597768093972123
Energy: 2.1701684943855155
Energy: 2.188103730904469
Energy: 2.4676935815774708
Energy: 2.1810389313605727
Energy: 2.00736269439094
Energy: 1.9827572014525694
Energy: 2.1849607381026166
Energy: 2.133537186904809
Energy: 2.058355716262222
Energy: 2.16229748842454
Energy: 1.921186471996913
Energy: 1.9349937485851623
Energy: 1.9217066392449744
Energy: 2.1888297528922425
Energy: 2.105798536849495
Energy: 2.1370892302911115
Energy: 1.9636683669773298
Energy: 1.960106893795665
Energy: 1.9552223236263147
Energy: 2.185958278962344
Energy: 2.9997751340059176
Energy: 1.933789052034719
Energy: 1.9337843533022583
Energy: 1.7516024219556003
Energy: 1.9348726601715245
Energy: 2.1655186019545556

minimum gb energy = 1.6594686229334599 eV
minimum distance =  2.48933475015133 Angstroms
sigma value = 17


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

Energy: 3.082944842899256
Energy: 2.3271463685702827
Energy: 2.199554906671108
Energy: 2.1635049009725984
Energy: 2.451272887194091
Energy: 2.3306297895366583
Energy: 1.8082576068444136
Energy: 1.8227502861389142
Energy: 1.8152496794014528
Energy: 1.8212419330151004
Energy: 1.8284652978055482
Energy: 2.125689792869319
Energy: 1.855999610954946
Energy: 1.811120784285448
Energy: 1.8123341418456376
Energy: 1.8277729895310115
Energy: 1.8118677456394379
Energy: 2.031189601142573
Energy: 2.4279299898447904
Energy: 2.162089855986645
Energy: 1.8196376714644953
Energy: 1.8172808202207993
Energy: 1.8324459681663927
Energy: 2.1633005366779763
Energy: 2.428531868241026
Energy: 2.127853123231904
Energy: 2.1231663075846345
Energy: 1.9027280078295774
Energy: 2.1213869151952234
Energy: 2.1279183438579174
Energy: 1.8192061039973833
Energy: 2.0317162136130777
Energy: 2.1276657275239295
Energy: 1.8100045081949643
Energy: 2.1257833687273675
Energy: 2.107191031127789
Energy: 1.9154794261461645
Energy: 2.1276890078060426
Energy: 2.127893237070115
Energy: 1.9012172233094293
Energy: 2.034745271303325
Energy: 2.121612647788986
Energy: 2.441926780397682
Energy: 2.128354014064953
Energy: 2.144698440663293
Energy: 1.855152234470724
Energy: 2.1255868542339966
Energy: 2.1282968353907066
Energy: 1.8556552298854727
Energy: 2.1633261019349335
Energy: 2.3205359716268026
Energy: 2.3220185327470357
Energy: 2.1634548222693786
Energy: 1.925058003988369
Energy: 1.8331194170560883
Energy: 1.8302484492856281
Energy: 2.122537429516864
Energy: 2.3209147739403333
Energy: 1.8214575006367957
Energy: 1.8187966655579428
Energy: 1.809063657164027
Energy: 1.8100555153134095
Energy: 2.032323025814773
Energy: 1.8557656556277233
Energy: 1.8107313915517884
Energy: 1.809717587140687
Energy: 1.8141408554955865
Energy: 1.8313850108264014
Energy: 2.1262260616456126
Energy: 2.1246105333929286
Energy: 1.8318397376044577
Energy: 1.8194372294874672
Energy: 1.9002843782965566
Energy: 2.123290352250886
Energy: 2.1630587312982947
Energy: 2.4298652031409436
Energy: 2.1621222849517814
Energy: 1.8555646868163036
Energy: 1.8067354724965727
Energy: 2.1312708337054334
Energy: 2.0308652068411464
Energy: 1.8555291561045906
Energy: 2.128375946124397
Energy: 1.8060072131742784
Energy: 1.9012267866322854
Energy: 2.031493095933774
Energy: 2.1319786974922077
Energy: 2.1334174268237134
Energy: 2.030548786469018
Energy: 2.1207026889634797
Energy: 1.8221059038202991
Energy: 2.0327667280548902
Energy: 2.129812478458837
Energy: 2.1276182238813726
Energy: 2.1261800671839595
Energy: 1.9236236901909738
Energy: 3.0621449063440997
Energy: 2.1229367443088356
Energy: 2.163193856404087
Energy: 1.9004169734115512
Energy: 2.1626289663338176
Energy: 2.319891191994126

minimum gb energy = 1.8060072131742784 eV
minimum distance =  2.45159588589758 Angstroms
sigma value = 17


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

Energy: 3.53489178867306
Energy: 2.35217648958159
Energy: 2.2246107799449644
Energy: 2.2225587031568637
Energy: 2.448376099299403
Energy: 2.5171338737905042
Energy: 2.447363183641573
Energy: 1.9023608688666327
Energy: 1.9011556629272646
Energy: 1.9057864757612974
Energy: 1.9002038419987382
Energy: 2.120402191820795
Energy: 2.1975139871907303
Energy: 1.897989082906984
Energy: 1.898774605381934
Energy: 1.9006870447463635
Energy: 1.8973597009357752
Energy: 2.526403975929722
Energy: 2.6724340431490203
Energy: 2.4766858835635217
Energy: 1.903081051641188
Energy: 1.9118690769538966
Energy: 1.9083126585385706
Energy: 2.450906046246217
Energy: 1.9186501655506736
Energy: 2.4509998726347795
Energy: 2.473376524069188
Energy: 1.9171415344518046
Energy: 2.47266004574334
Energy: 2.4770199958528494
Energy: 1.9056313093066868
Energy: 1.9070956277039939
Energy: 2.4198958074562946
Energy: 2.425815430982742
Energy: 2.4735057977942323
Energy: 1.901190722454518
Energy: 1.921903493034013
Energy: 1.8998357280829905
Energy: 2.374278175767771
Energy: 2.3159718046506628
Energy: 1.899280811910994
Energy: 1.9022290686998828
Energy: 1.9012076160798084
Energy: 1.898874611591296
Energy: 1.9017500884739398
Energy: 1.9124082575810208
Energy: 1.8998831764550659
Energy: 1.901683577450227
Energy: 1.9242100053293603
Energy: 1.9214350914001999
Energy: 2.404753600838371
Energy: 2.449732223532624
Energy: 2.14738965573139
Energy: 1.919608504277976
Energy: 2.205500142100767
Energy: 2.1454144868550453
Energy: 2.112966127105041
Energy: 2.1309798384647576
Energy: 2.1069973892627494
Energy: 2.128565719063149
Energy: 2.190297305237196
Energy: 2.104125013349632
Energy: 2.280190762463749
Energy: 2.2135222134714545
Energy: 2.10871611288596
Energy: 2.110237083856283
Energy: 2.2249781545096368
Energy: 2.104372563071554
Energy: 2.3568306620434356
Energy: 2.365700146029448
Energy: 2.345647748373957
Energy: 2.1111758274473553
Energy: 2.0284116413794333
Energy: 2.343886661611255
Energy: 2.3476322580739017
Energy: 2.359757813072859
Energy: 2.3505815756245227
Energy: 2.260198388615721
Energy: 2.934877118986738
Energy: 2.409137926893502
Energy: 1.8456049840247741
Energy: 1.8478346879347527
Energy: 2.450375673235212
Energy: 2.508518292786306
Energy: 1.9874962927722193
Energy: 1.8555502839877307
Energy: 1.8484402047413662
Energy: 1.8424884174293301
Energy: 1.848614266995126
Energy: 2.3438169495183074
Energy: 2.20757752805838
Energy: 1.843828234895904
Energy: 1.8429910192177554
Energy: 1.848370122131054
Energy: 1.843662693226161
Energy: 2.233617403653182
Energy: 2.684667918774126
Energy: 2.370763943914787
Energy: 1.8527121675037417
Energy: 1.840315085799021
Energy: 1.8487662580519368
Energy: 2.4475584884645025
Energy: 2.687300442491646
Energy: 2.3675119746051867
Energy: 2.4093721435125866
Energy: 2.2230390749201425
Energy: 2.410914588720855
Energy: 2.4481836131353587
Energy: 2.2134449563032383
Energy: 2.230309567205746
Energy: 2.3458885181181732
Energy: 2.2611624439741815
Energy: 2.345157308064453
Energy: 2.1201454691427677
Energy: 2.224863404362005
Energy: 2.109456465792911
Energy: 2.3567866993764386
Energy: 2.4779204219810187
Energy: 2.105596593998678
Energy: 2.122600654597252
Energy: 2.1865779761539765
Energy: 2.1055112117541706
Energy: 2.113500140414528
Energy: 2.2327598921277825
Energy: 2.1108113176613967
Energy: 2.109550156566804
Energy: 2.24327524485641
Energy: 2.148087875837693
Energy: 2.282146327825951
Energy: 2.419958728368105
Energy: 2.130393834221581
Energy: 2.1495853663383278
Energy: 1.9127273142391614
Energy: 1.9191434060133519
Energy: 2.1330962361135466
Energy: 2.3379092457286443
Energy: 1.910407900364174
Energy: 1.9197428092932984
Energy: 1.897224226407158
Energy: 1.8965538405312106
Energy: 1.8965486665004534
Energy: 2.215324289080465
Energy: 1.8967054220013928
Energy: 1.8974147366529672
Energy: 1.9130358230237174
Energy: 1.9022263865614586
Energy: 2.465313417412856
Energy: 2.5006251609773327
Energy: 1.9119388973225566
Energy: 1.9002005070273378
Energy: 1.9213949700189557
Energy: 2.476051638265344
Energy: 2.470952832165114
Energy: 2.364015938749681
Energy: 2.4737817522763432
Energy: 1.891864490916902
Energy: 2.9362353895405993
Energy: 2.471744934770854
Energy: 1.9171643561486769
Energy: 1.9215422810449638
Energy: 2.4733249341711545
Energy: 2.4236238830656838
Energy: 2.925747620097435
Energy: 2.404824909086059
Energy: 1.9004390097588009
Energy: 1.9000209883361716
Energy: 1.9025353282999293
Energy: 2.4507292287728477
Energy: 1.9148279916818325
Energy: 1.8986687373489222
Energy: 1.898807464310553
Energy: 1.8998041621405097
Energy: 1.8970691127100052
Energy: 2.530277786611245
Energy: 3.090171149751663
Energy: 2.1228455842138216
Energy: 1.9221060629410718
Energy: 1.9180208877216083
Energy: 1.9230637135604576
Energy: 2.3632346763101
Energy: 3.1091461890723977
Energy: 2.1372459498351324
Energy: 2.147501987288644
Energy: 2.242659340682701
Energy: 2.1476330893282123
Energy: 2.3662968089629244
Energy: 1.913285920238687
Energy: 2.1154771188233563
Energy: 2.107174656641581
Energy: 2.1085478585033575
Energy: 2.106332616585693
Energy: 2.2817291828806847
Energy: 2.6848860609201726
Energy: 2.3204804295515955
Energy: 2.1120211084883698
Energy: 2.107752583663948
Energy: 2.1068670472923485
Energy: 2.353343989796723
Energy: 2.682635656152934
Energy: 2.352391380330489
Energy: 2.226067628251003
Energy: 2.223838728674477
Energy: 2.3855217541271463
Energy: 2.3496462932186564
Energy: 1.918619191479246
Energy: 2.418947280777295
Energy: 2.444538013560989
Energy: 2.439940248289946
Energy: 2.3952412681241113
Energy: 2.4215993387602572
Energy: 1.8417870132766394
Energy: 1.844089983076032
Energy: 2.3525108698750623
Energy: 2.4354325748167494
Energy: 2.056173294453534
Energy: 1.8499184669386113
Energy: 1.844010599403131
Energy: 1.8426923049346065
Energy: 1.8420435944343687
Energy: 2.2220127491756276
Energy: 1.8434096676893958
Energy: 1.8429610916255423
Energy: 1.8438824435945025
Energy: 1.851626728675367
Energy: 2.3474014411267596
Energy: 2.539360009832444
Energy: 1.8528176824681812
Energy: 1.847223609329432
Energy: 1.8473471557519288
Energy: 2.36881044551432
Energy: 2.4686162574549284
Energy: 2.4494211160251664
Energy: 2.4098074363112882
Energy: 1.8398483225524656
Energy: 2.41644460936531
Energy: 2.346340874376173
Energy: 2.403013130681306
Energy: 2.2211439380484967
Energy: 2.3428818613468705
Energy: 2.351257369070167
Energy: 2.233067247083916
Energy: 2.3569794021247072
Energy: 2.1151275269490433
Energy: 2.127462933016281
Energy: 2.1049177627005964
Energy: 2.358344105660589
Energy: 2.199740937809111
Energy: 2.112158725992008
Energy: 2.109487727220627
Energy: 2.1051701950700505
Energy: 2.106001071964645
Energy: 2.4014524392344923
Energy: 2.2551949162625218
Energy: 2.135742414547592
Energy: 2.134258003116312
Energy: 2.131732972214888
Energy: 2.1457444985293805
Energy: 2.285754272058776

minimum gb energy = 1.8398483225524656 eV
minimum distance =  2.41505741557481 Angstroms
sigma value = 57


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

Energy: 2.7679425044138544
Energy: 2.570389554480665
Energy: 1.9372557279197584
Energy: 1.9032406351809361
Energy: 1.939561643981642
Energy: 2.53664205089912
Energy: 1.9729224649766177
Energy: 1.8905398273054226
Energy: 1.892294254545144
Energy: 1.8985678022598886
Energy: 1.885781436340208
Energy: 2.277567607078463
Energy: 1.8896487204597308
Energy: 1.8851768154833073
Energy: 1.88737076074341
Energy: 1.8882920455971801
Energy: 1.89527498983191
Energy: 2.1983215503114653
Energy: 2.363579169535758
Energy: 2.4530872758135036
Energy: 1.892497731751384
Energy: 1.8984696832930499
Energy: 1.8920054774488302
Energy: 2.4877499377541104
Energy: 1.8884368754494005
Energy: 2.4664634852589833
Energy: 2.46407260450365
Energy: 2.2275315800509037
Energy: 2.4578459973433
Energy: 2.468645203535777
Energy: 1.8910260096795255
Energy: 1.8909501143895857
Energy: 2.41593996448076
Energy: 2.451901991084112
Energy: 2.4969708629699188
Energy: 1.89148572123793
Energy: 1.896151247188195
Energy: 1.8891951789839563
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Energy: 2.256188946969332
Energy: 1.8995353651612519
Energy: 1.8901296626010362
Energy: 1.8879136834200987
Energy: 1.8886726400516005
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Energy: 2.4583734235752006
Energy: 2.4932039641784476
Energy: 2.2193134560785146
Energy: 1.899252415967529
Energy: 2.3813234845108573
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Energy: 2.204085486103563
Energy: 2.330712132197513
Energy: 2.206051118456493
Energy: 2.2351784840431104
Energy: 1.9593068048917701
Energy: 2.2176767721243453
Energy: 2.1218666094635066
Energy: 2.0148264561607645
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Energy: 2.20718560255989
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Energy: 2.2074463164254676
Energy: 2.225055882467058
Energy: 2.27229280964878
Energy: 2.2084818074704042
Energy: 1.9739579397896863
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Energy: 2.2211233910275467
Energy: 2.206637255261027
Energy: 2.1198444479016976
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Energy: 2.2785647485010982
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Energy: 2.316909630566378
Energy: 2.4067318006063596
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Energy: 1.893730263249491
Energy: 1.8886137078846243
Energy: 1.8901261468948423
Energy: 1.8898455145906594
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Energy: 1.9070865551140872
Energy: 1.8872340842355344
Energy: 1.8886496406641269
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Energy: 1.884463893277522
Energy: 2.1958781632368938
Energy: 2.367467188081954
Energy: 2.4677477266441232
Energy: 1.8905195662680365
Energy: 1.8980320868406864
Energy: 1.8881890154091183
Energy: 2.4522921635066974
Energy: 1.8878886935222197
Energy: 2.4664017802184324
Energy: 2.5073246570288243
Energy: 1.8913927876374403
Energy: 2.4544874187115244
Energy: 2.483848895391035
Energy: 1.8893900765202036
Energy: 1.8929889932312465
Energy: 2.425518861049171
Energy: 2.4474262636820945
Energy: 2.4999107892750816
Energy: 1.8910193097469692
Energy: 1.8876410052603794
Energy: 1.8881357600592759
Energy: 2.2037912873069927
Energy: 2.2188235562838146
Energy: 1.8943327629337146
Energy: 1.889235318696101
Energy: 1.8889021991768693
Energy: 1.8880858667395495
Energy: 1.8862353798235072
Energy: 1.898412024118332
Energy: 1.8859421480814984
Energy: 1.8903792922441776
Energy: 1.8923850988363107
Energy: 1.9331802399663223
Energy: 2.4552773794193987
Energy: 2.5043188317759393
Energy: 2.215188752241372
Energy: 1.8945311694397657
Energy: 1.9771903776846063
Energy: 2.2219365640729745
Energy: 2.2118701512847685
Energy: 2.466924083754034
Energy: 2.2210529718716026
Energy: 2.3172322020692326
Energy: 1.9588836553647107
Energy: 2.210819447754485
Energy: 2.120380290003723
Energy: 1.9829311140744772
Energy: 2.2717557433092153
Energy: 2.2180644750101965
Energy: 1.9677560004388277
Energy: 2.1189685260377833
Energy: 2.2326239247890114
Energy: 2.2173599751617608
Energy: 2.3304420067315634
Energy: 2.2192127605989107
Energy: 1.9740762684984046
Energy: 2.275685854970996
Energy: 2.2071618838901044
Energy: 2.214033534561881
Energy: 2.2083253932367413
Energy: 2.1189269562599047
Energy: 2.767163962832072
Energy: 2.2165049299413053
Energy: 1.962295512040583
Energy: 2.0161461347886833
Energy: 2.276719472519568
Energy: 2.438504609831876

minimum gb energy = 1.884463893277522 eV
minimum distance =  2.40100556774141 Angstroms
sigma value = 43


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

Energy: 3.2923733135666793
Energy: 2.527169425276611
Energy: 2.2397790800216324
Energy: 2.2406264114276895
Energy: 2.2389708662222834
Energy: 2.536347032022819
Energy: 2.098171851713984
Energy: 1.9177952051222962
Energy: 1.9062750776922557
Energy: 1.9062648455361428
Energy: 1.9078696000081703
Energy: 1.9070180827663885
Energy: 2.2591591989563238
Energy: 1.907803385621121
Energy: 1.9053488435389991
Energy: 1.9108546964327544
Energy: 1.9065182926470836
Energy: 2.4631713753752695
Energy: 2.430106956678914
Energy: 2.4561031241835947
Energy: 1.9077467606844507
Energy: 1.929947312649541
Energy: 1.9082201027372716
Energy: 2.4617186335039904
Energy: 2.127900957781
Energy: 2.445867193819391
Energy: 2.4537026022831343
Energy: 1.8850757513551541
Energy: 2.4575884571393023
Energy: 2.4389427985710688
Energy: 1.8439034333332596
Energy: 1.8343002203876326
Energy: 2.5320724400452423
Energy: 2.3444844973216687
Energy: 2.4553170774107356
Energy: 1.834266489020547
Energy: 1.8294822960999328
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Energy: 1.8316117379248638
Energy: 2.404628344095893
Energy: 1.8317983244657028
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Energy: 1.8325455682028375
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Energy: 1.8315186061298159
Energy: 1.9151447037717775
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Energy: 1.8307835883048427
Energy: 1.8452846682234019
Energy: 1.833499981355485
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Energy: 2.4299298890328282
Energy: 2.454698019201232
Energy: 1.8336116405949066
Energy: 2.4721952486940983
Energy: 2.477052768401477
Energy: 2.4708991987987705
Energy: 1.9124342751806211
Energy: 2.4780074584445555
Energy: 2.4392262268133154
Energy: 2.573697514418922
Energy: 2.4537227328402635
Energy: 1.909192564843077
Energy: 1.9201095040916925
Energy: 1.907177294178785
Energy: 2.347512888849515
Energy: 2.3212041850819505
Energy: 1.905476410411891
Energy: 1.9053044430510377
Energy: 1.9077906365224226
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Energy: 2.468754366136326
Energy: 2.263698581618984
Energy: 1.9059172558357134
Energy: 1.9069224767560005
Energy: 1.905485831804744
Energy: 1.9064373344524121
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Energy: 2.921199486262404
Energy: 2.1813965506595845
Energy: 2.2387818484311497
Energy: 2.270263341396191
Energy: 1.9056416916249042
Energy: 2.45253895939877
Energy: 1.9449704380126702
Energy: 2.1772770243937196
Energy: 2.175864376615534
Energy: 2.174703394300491
Energy: 2.176767953568845
Energy: 2.178331369108445
Energy: 2.3310819803250507
Energy: 2.198713298204672
Energy: 2.1747822348615893
Energy: 2.184307848094548
Energy: 2.176158307677019
Energy: 2.1852106941673664
Energy: 2.284324576384424
Energy: 2.1771486489068983
Energy: 2.1809000390359667
Energy: 2.259324733482407
Energy: 2.198597292840406
Energy: 2.1776270343811537
Energy: 2.296987461784273
Energy: 2.1736716616484397
Energy: 2.1820755595904746
Energy: 2.231999327124294
Energy: 2.1771729772623445
Energy: 2.177646317160805
Energy: 2.2397807382520685
Energy: 2.23856652358956
Energy: 2.527247504161343
Energy: 2.537034679757658
Energy: 2.5119690670470436
Energy: 2.2393812514222344
Energy: 1.9053269977049354
Energy: 1.9073955638550906
Energy: 1.9078245898866448
Energy: 2.552986796708011
Energy: 1.906073253691748
Energy: 1.9091166205231507
Energy: 1.9108407820804274
Energy: 1.9086704958663003
Energy: 2.2337698403317763
Energy: 2.260453914829989
Energy: 1.9067835309207806
Energy: 1.9049397081991146
Energy: 1.9303225914282163
Energy: 1.9114057464019878
Energy: 2.4575225749130576
Energy: 2.4354147183097026
Energy: 2.455845249660852
Energy: 1.9091879145009212
Energy: 1.8442679155969008
Energy: 2.4548630520006083
Energy: 2.4392741690599746
Energy: 2.3027168794619386
Energy: 2.4711287929184724
Energy: 2.3700430956444674
Energy: 2.5677037511458383
Energy: 2.4548606055602846
Energy: 1.832409365182032
Energy: 1.844580070781778
Energy: 1.8318581020461002
Energy: 2.532415871370904
Energy: 1.9251375490222247
Energy: 1.8317585774551737
Energy: 1.831805851219686
Energy: 1.8295843893412784
Energy: 1.8324907248732052
Energy: 2.198691121684704
Energy: 2.21586654428186
Energy: 1.831474740903611
Energy: 1.8300634589308151
Energy: 1.8321117007167862
Energy: 1.8310154812630137
Energy: 2.1990338776524423
Energy: 2.8204637989725376
Energy: 2.455193427276116
Energy: 1.833998644508731
Energy: 1.845736742213192
Energy: 1.8339076535007064
Energy: 2.4552642785400183
Energy: 2.304172508871032
Energy: 2.4701639331729
Energy: 2.4698696324920144
Energy: 2.129627203571572
Energy: 2.474935053519619
Energy: 2.4566055325499807
Energy: 1.930689490703034
Energy: 1.9090769579704123
Energy: 2.455653248135328
Energy: 2.3723510441422486
Energy: 2.4547358440202958
Energy: 1.9057528819976008
Energy: 1.906408573168597
Energy: 1.9068734633743034
Energy: 2.233969895015196
Energy: 2.3075449726078956
Energy: 1.9075629299148325
Energy: 1.9047830261820655
Energy: 1.9128174376096845
Energy: 1.9066215626227496
Energy: 1.9078100583436095
Energy: 2.555570144342525
Energy: 1.9090475168183463
Energy: 1.906224016395486
Energy: 2.268755912956954
Energy: 1.9063855483987902
Energy: 2.451628063436889
Energy: 2.4706297363416505
Energy: 2.1871101229903083
Energy: 2.240107989599713
Energy: 2.299188112834261
Energy: 2.1786424849598776
Energy: 2.1783837582644425
Energy: 1.9372243686860482
Energy: 2.1786886068070754
Energy: 2.174883929826931
Energy: 2.29205380206307
Energy: 2.174501705894091
Energy: 2.1768763596369833
Energy: 2.328060511497673
Energy: 2.1970530848600176
Energy: 2.1801600499198774
Energy: 2.274396682842625
Energy: 2.1989028765355396
Energy: 2.1764094745131732
Energy: 2.1806846774490065
Energy: 2.178497476831636
Energy: 2.1792594692668645
Energy: 2.0981718534627616
Energy: 2.1777142465125796
Energy: 2.1771478489130707
Energy: 2.1828733139634147
Energy: 2.1743144125905314
Energy: 2.196116535286712

minimum gb energy = 1.8294822960999328 eV
minimum distance =  2.41951720726941 Angstroms
sigma value = 81


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

Energy: 1.7286180260057218
Energy: 1.7281734262557078
Energy: 2.6011615137198105
Energy: 1.7319012063673227
Energy: 2.602022322933138
Energy: 1.727833616355796
Energy: 1.728221462290717
Energy: 2.527442391355234
Energy: 1.733884614967759
Energy: 1.731822875550521
Energy: 1.7344316640411064
Energy: 2.0199263009184736
Energy: 2.0182167782816602
Energy: 2.019108143049708
Energy: 1.7320577886210802
Energy: 1.7327861971354723
Energy: 1.7323297300955394
Energy: 2.3461352595378595
Energy: 2.0200847713000263
Energy: 2.0213947342798098
Energy: 1.7310237628173528
Energy: 1.7299153714368185
Energy: 1.731469969949122
Energy: 2.0202729245502806
Energy: 2.0200222643494867
Energy: 2.019078429969754
Energy: 1.733107835515618
Energy: 1.7328936403763138
Energy: 1.7348073342836532
Energy: 2.0213945084474974
Energy: 1.7316681730332977
Energy: 1.7319305043289859
Energy: 1.72801447935684
Energy: 1.7323734066329923
Energy: 2.0205909049566175
Energy: 1.7326999125883615
Energy: 1.731561937645585
Energy: 1.7326812736236488
Energy: 2.0194886282322395
Energy: 1.7321624328305494
Energy: 1.7313392849208074
Energy: 1.7343644320368705
Energy: 1.7316240409765427
Energy: 1.7317718515039562
Energy: 2.353052400916055
Energy: 2.0203368191506077
Energy: 1.7325283406387317
Energy: 1.7336323913444767
Energy: 1.7318769533297198
Energy: 2.5971338745851402
Energy: 2.020924371707647
Energy: 2.0201877423714514
Energy: 2.0194695794987148
Energy: 1.7311127407735978
Energy: 1.7284436793294173
Energy: 1.7333187332635929
Energy: 2.020816547975422
Energy: 2.021247233084744
Energy: 2.021184807174018
Energy: 1.7325761013217915

minimum gb energy = 1.727833616355796 eV
minimum distance =  2.43191612681524 Angstroms
sigma value = 3


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

Energy: 3.162621559192058
Energy: 2.028588855828134
Energy: 2.2462261019939107
Energy: 2.256247769010321
Energy: 2.2479829754586267
Energy: 2.5767662783736003
Energy: 1.8133455653778712
Energy: 2.1565794997986205
Energy: 2.1552662078999263
Energy: 2.1405007276503474
Energy: 1.8464193856843212
Energy: 2.1573677249661616
Energy: 2.1336098363811287
Energy: 2.0682079380878355
Energy: 2.1548700109784886
Energy: 2.137710469721513
Energy: 2.156577027859887
Energy: 2.1364556300799156
Energy: 2.1242284002879295
Energy: 2.15456758763578
Energy: 1.8481525472133409
Energy: 2.1366481534169814
Energy: 2.0689665839394697
Energy: 2.1464378248181815
Energy: 2.1331157410608963
Energy: 2.156070933698643
Energy: 2.1541953600106583
Energy: 1.8494274720216488
Energy: 1.853950663202788
Energy: 2.1349395967913054
Energy: 2.2504556658871016
Energy: 2.249988577542975
Energy: 1.8507542279900968
Energy: 1.853271268486794
Energy: 2.251375870440665
Energy: 2.242134476153565
Energy: 2.3726789852035
Energy: 2.1556420400124856
Energy: 2.4302356114565296
Energy: 1.8486237431381638
Energy: 2.442986364939787
Energy: 2.4867804511202656
Energy: 2.3736319737990526
Energy: 2.43554342076741
Energy: 1.842289889256087
Energy: 1.844326940216257
Energy: 1.843547151990433
Energy: 2.435164496914113
Energy: 2.6497134365702615
Energy: 1.8445607129431099
Energy: 1.8431159474804268
Energy: 1.8441825978312063
Energy: 1.8452867650334237
Energy: 2.4320172596192653
Energy: 2.390236438364305
Energy: 1.8423876285257563
Energy: 1.8435323613825891
Energy: 1.8415033150819224
Energy: 1.8450519949550206
Energy: 2.2839232148152044
Energy: 2.6540068614627823
Energy: 2.5675833327996562
Energy: 1.8572837441000851
Energy: 1.8527638632512358
Energy: 1.8435650708733788
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Energy: 1.8536763046658953
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Energy: 1.843107648291281
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Energy: 2.8979685635478667
Energy: 1.8420011962528104
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Energy: 2.647502157034274
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Energy: 2.64347741607524
Energy: 1.8427852351268297
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Energy: 2.647961421467799
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Energy: 1.8420794743650133
Energy: 2.947147878006216
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Energy: 2.135632826901052
Energy: 2.134288682666159
Energy: 2.1561817233260134
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Energy: 2.1331667450110054
Energy: 2.1561115816468983
Energy: 2.069648188526164
Energy: 2.1380417205766724
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Energy: 2.6498982594302083
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Energy: 1.8456866664638811
Energy: 1.8442238865777718
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Energy: 1.8429970175560764
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Energy: 1.8437207367344393
Energy: 1.8440926178560946
Energy: 2.433321556205134
Energy: 2.3922606463211795
Energy: 1.8433938600616528
Energy: 1.8418854640858198
Energy: 1.8416472256649417
Energy: 1.8421441081199244
Energy: 1.8435276024995333
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Energy: 1.84315649407348
Energy: 1.8436797070805422
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Energy: 2.391492354951019
Energy: 1.8535972947441914
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Energy: 2.8966314009562395
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Energy: 2.1690053934589693
Energy: 1.8543300670924552
Energy: 1.8444902150728222
Energy: 1.795739646850087
Energy: 2.5268708582854877
Energy: 1.8543611070805452
Energy: 1.843469734328549
Energy: 1.8524914037839588
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Energy: 1.8420232969300274
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Energy: 1.8565296412070975
Energy: 1.84210125548046
Energy: 1.8519525554224259
Energy: 1.8447319888783655
Energy: 2.0123071812162223
Energy: 2.6456889634067635
Energy: 1.8444381130562144
Energy: 1.8444826202852214
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Energy: 1.8431649054036225
Energy: 2.448933149200052
Energy: 2.50845336808107
Energy: 2.173273386847981
Energy: 1.8436211356745997
Energy: 1.8100211935003656
Energy: 2.433942769944038
Energy: 2.488913324229639
Energy: 2.64468885385295
Energy: 2.17091924909694
Energy: 2.2828572338247235

minimum gb energy = 1.7949210194061207 eV
minimum distance =  2.40056286921173 Angstroms
sigma value = 67


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

Energy: 2.5295735599845077
Energy: 1.846227720275001
Energy: 2.1827877999989878
Energy: 2.181527195816698
Energy: 2.184389409295326
Energy: 1.8465192275508178
Energy: 1.8174027372465222
Energy: 2.186508654214877
Energy: 2.184859818616496
Energy: 2.1450590225647956
Energy: 2.187498127520119
Energy: 1.9633204904580615
Energy: 2.1431228528561053
Energy: 1.9494152625446461
Energy: 2.1918400174478596
Energy: 2.147405067492594
Energy: 2.158024395952416
Energy: 2.3183706621570987
Energy: 2.1505655835480977
Energy: 2.181877382294208
Energy: 1.9436455000757278
Energy: 2.144098349955285
Energy: 1.9548643959925291
Energy: 2.1573091286716632
Energy: 2.147951392998155
Energy: 2.14957025233206
Energy: 2.48704968284402
Energy: 1.8186147672874222
Energy: 2.186599412241384
Energy: 2.147499965512483
Energy: 2.1647114034817534
Energy: 2.148348605404534
Energy: 2.270136005685967
Energy: 2.952877248099303
Energy: 2.196941445109889
Energy: 2.164339386034283
Energy: 2.459236389188884
Energy: 2.1826336778622104
Energy: 1.9054355977016677
Energy: 1.8175452262394607
Energy: 2.292173744763785
Energy: 2.1419706127272833
Energy: 2.4649487235815677
Energy: 2.1824391661639146
Energy: 1.8176902045142278
Energy: 1.8160536250493442
Energy: 1.8181178164031158
Energy: 2.5357506379550405
Energy: 2.5217012703876316
Energy: 1.818437517168769
Energy: 1.8126636513863041
Energy: 1.8150301633104495
Energy: 1.8133391658911577
Energy: 2.7852366805729685
Energy: 2.2449192540492944
Energy: 2.1609672081626066
Energy: 1.8164641478431913
Energy: 1.829315644388153
Energy: 1.8151477107721128
Energy: 2.2663480685683957
Energy: 2.8853995701931217
Energy: 2.2693071049925226
Energy: 1.8204217870599795
Energy: 1.816988178997036
Energy: 2.2550879786124134
Energy: 2.2661433328733214
Energy: 2.1631052042207704
Energy: 2.19418323068427
Energy: 2.3867536416867035
Energy: 1.8234340517034704
Energy: 2.7284242757734547
Energy: 2.1997823911878953
Energy: 2.1704563406217705
Energy: 2.1688626213489433
Energy: 2.3873941649854977
Energy: 1.8267362088707582
Energy: 2.186751186347018
Energy: 2.1527697015512772
Energy: 2.1490892638861445
Energy: 2.18197365994706
Energy: 1.9583080307724676
Energy: 2.1434106262979724
Energy: 2.187597310783776
Energy: 2.1875638787117406
Energy: 2.15079947059402
Energy: 2.156532024281323
Energy: 2.1906699355227826
Energy: 2.1435542697067396
Energy: 1.9455493080112165
Energy: 2.1870654762769433
Energy: 2.143546658635902
Energy: 1.9709323954735651
Energy: 2.151600597304599
Energy: 2.1426915482799296
Energy: 2.1514595985477243
Energy: 2.3146226346289924
Energy: 2.860123154428145
Energy: 2.170532149449714
Energy: 2.1470025426822468
Energy: 2.1697399179094115
Energy: 2.155443884960109
Energy: 2.7317160673140157
Energy: 2.8514760783427926
Energy: 2.2736843377116607
Energy: 2.168695904852054
Energy: 2.2409749229442593
Energy: 2.147063942571723
Energy: 2.2888392920938143
Energy: 1.817065542971215
Energy: 1.8216342176173783
Energy: 2.497327452874873
Energy: 2.4930531507375204
Energy: 2.256994422408579
Energy: 1.8210229748481428
Energy: 1.8225232933099453
Energy: 1.8148243154497594
Energy: 1.8134191748180502
Energy: 2.24299509194564
Energy: 1.81824179093617
Energy: 1.8146294166435546
Energy: 1.8151302069216253
Energy: 1.8158592741033543
Energy: 2.166596454706305
Energy: 2.526830244084235
Energy: 1.8181033002825253
Energy: 1.814197943516762
Energy: 1.8155708593273814
Energy: 1.8195636918155949
Energy: 2.2574968532316486
Energy: 2.143308976412446
Energy: 2.162845519257756
Energy: 1.8186552358407646
Energy: 1.8152831522836619
Energy: 2.2697526243038357
Energy: 2.1827355175857814
Energy: 2.2822573086901543
Energy: 2.729963032516312
Energy: 2.297659771076894

minimum gb energy = 1.8126636513863041 eV
minimum distance =  2.44468196620104 Angstroms
sigma value = 33


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

Energy: 3.318224143475674
Energy: 2.220821771028782
Energy: 2.378532252471305
Energy: 2.3635314973940784
Energy: 2.373421305122713
Energy: 2.883576711956503
Energy: 1.8079731399086685
Energy: 2.4037396552448134
Energy: 2.3835908681766624
Energy: 2.33380250990603
Energy: 2.202945660891775
Energy: 2.045388979786968
Energy: 1.9616942398111612
Energy: 2.0745688595182954
Energy: 2.2035981886180975
Energy: 2.121981399410975
Energy: 2.203700202936315
Energy: 1.9644260729994794
Energy: 1.9714049348998304
Energy: 2.0085653229481553
Energy: 2.078898081788994
Energy: 2.317996680285956
Energy: 2.0836923774858644
Energy: 1.9737403561650892
Energy: 1.9636132842675145
Energy: 1.964636370576685
Energy: 1.9647555982599463
Energy: 1.8117005014495002
Energy: 2.0049505017963103
Energy: 1.9766125824467917
Energy: 1.9602288191968191
Energy: 1.811206991608992
Energy: 2.4738136835108464
Energy: 2.7036366010298702
Energy: 1.8249046133966484
Energy: 1.8111340324351475
Energy: 1.807291818863243
Energy: 2.373020621717482
Energy: 2.3334971025615543
Energy: 1.811723932121132
Energy: 2.5137241260094405
Energy: 2.1257553878601407
Energy: 2.2614821438055017
Energy: 2.055139114711501
Energy: 1.9617567331195909
Energy: 1.9607724162524134
Energy: 1.9693071254547343
Energy: 2.8527935733677916
Energy: 2.202201006222068
Energy: 2.004789197083951
Energy: 2.001134998087028
Energy: 1.9623878345285486
Energy: 2.0022923053271415
Energy: 2.3275255806840764
Energy: 2.327233413915216
Energy: 2.180827970058004
Energy: 2.0043977464683125
Energy: 1.9674069791745223
Energy: 2.011713725283422
Energy: 2.360622832832398
Energy: 2.313399225801779
Energy: 2.410119782415273
Energy: 2.0707601399764304
Energy: 1.96175311217727
Energy: 2.079609026379341
Energy: 2.309487407727
Energy: 2.318896565153957
Energy: 2.3224941425475194
Energy: 2.4101751673117855
Energy: 2.188366781144564
Energy: 2.4537701856100615
Energy: 2.31898099310895
Energy: 2.43185785009843
Energy: 2.4136498824597856
Energy: 2.597115871911748
Energy: 2.04236251997476
Energy: 2.4539382583957345
Energy: 2.4328454503214534
Energy: 2.51560255601052
Energy: 2.318935620311953
Energy: 1.8142826145315445
Energy: 1.814282974492304
Energy: 1.8141980088511034
Energy: 2.5101210931326103
Energy: 2.5431152346539085
Energy: 2.1746457028408614
Energy: 1.8155412236179662
Energy: 1.81106223601341
Energy: 1.8056503598502633
Energy: 2.3425203051651255
Energy: 2.447374651834819
Energy: 1.8114598426284876
Energy: 1.809775107905717
Energy: 1.8078114310099478
Energy: 1.8081364439030987
Energy: 2.781738371035742
Energy: 2.317111590136021
Energy: 2.0181592366159076
Energy: 1.8135704824138876
Energy: 1.812496245498123
Energy: 1.8156938018702211
Energy: 2.7786126402668994
Energy: 2.431631508866991
Energy: 2.5987227279166834
Energy: 2.5033468944666026
Energy: 1.818576538505086
Energy: 2.503883928734015
Energy: 2.3834947614447506
Energy: 2.3103710935164554
Energy: 2.2082866997478514
Energy: 2.2165437819019673
Energy: 2.850099158976362
Energy: 2.2108730325009556
Energy: 2.1746620264502075
Energy: 2.331104414206317
Energy: 2.3842592890994854
Energy: 2.208113160038672
Energy: 1.8229295858129595
Energy: 2.205129519459886
Energy: 2.3833525753867493
Energy: 2.1154913212306012
Energy: 2.203084987668385
Energy: 2.004736667196518
Energy: 1.960705370795307
Energy: 2.0697581300507455
Energy: 2.381550862032507
Energy: 2.320190262277607
Energy: 2.073752135730628
Energy: 2.002900480780857
Energy: 1.9663487440756058
Energy: 2.002526857709291
Energy: 2.433137864930485
Energy: 1.811822294453597
Energy: 1.9628156709926843
Energy: 1.9619046173593047
Energy: 1.9625321056174567
Energy: 2.0038044952905514
Energy: 2.0113885034949734
Energy: 2.988819544117451
Energy: 2.05354862161648
Energy: 2.0594525618315798
Energy: 1.960725490546409
Energy: 2.0601987909026382
Energy: 2.754350941215577
Energy: 1.811943128652522
Energy: 2.514317609890371
Energy: 1.9603255054939843
Energy: 1.8073869720011815
Energy: 2.373830391356391
Energy: 1.8108168070762891
Energy: 1.9608836075421063
Energy: 1.962278664197095
Energy: 2.1725733937485168
Energy: 2.5047885939719823
Energy: 1.9635263025879361
Energy: 1.9613925829468402
Energy: 1.9605761353044369
Energy: 2.003257844145193
Energy: 2.0867023566116067
Energy: 2.2035926091247
Energy: 1.9639101960973793
Energy: 2.0033980755959124
Energy: 1.9603352870991488
Energy: 2.003473122455509
Energy: 2.2020072165624387
Energy: 2.3299438773503263
Energy: 2.070385375832145
Energy: 2.0079535876388412
Energy: 1.9616755548670461
Energy: 2.07110788831531
Energy: 2.3122995442773675
Energy: 2.311203717854212
Energy: 2.202958673591854
Energy: 1.9610313139483422
Energy: 2.0428294183743576
Energy: 2.453942329958778
Energy: 2.3218710698031346
Energy: 2.3185651696040455
Energy: 2.331694330035709
Energy: 2.532967180860992
Energy: 1.818576213206199
Energy: 2.4878726471916655
Energy: 2.43330615013244
Energy: 2.3929192891941047
Energy: 2.434515004200284
Energy: 2.5601918227802596
Energy: 1.8150536246813278
Energy: 1.814581942816062
Energy: 2.596213225349477
Energy: 2.5040419652868304
Energy: 2.3186894911973472
Energy: 1.8126925699166383
Energy: 1.8123131716403853
Energy: 1.8146965853864587
Energy: 2.217317436394639
Energy: 2.5450060058486
Energy: 1.8191641536675256
Energy: 1.812489855029621
Energy: 1.8032301567258455
Energy: 1.803248073187261
Energy: 1.8103996944525353
Energy: 2.63856666998797
Energy: 1.8135547971447807
Energy: 1.8035477972310854
Energy: 1.8195701022941753
Energy: 1.8145373331629413
Energy: 2.019593528426942
Energy: 2.43049824536247
Energy: 2.020218039370523
Energy: 1.8126104368924745
Energy: 1.8149485988960181
Energy: 2.509458900751357
Energy: 2.386235847236226
Energy: 2.4320978531487976
Energy: 2.333000581334172
Energy: 1.8178470379050395
Energy: 2.999933342426824
Energy: 2.3738391984009075
Energy: 2.2077243111754288
Energy: 2.3933368637271184
Energy: 2.1773547894585685
Energy: 2.8488956069292586

minimum gb energy = 1.8032301567258455 eV
minimum distance =  2.46027826884587 Angstroms
sigma value = 41


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

Energy: 2.700637063154073
Energy: 1.6348321091369458
Energy: 1.9912463959104585
Energy: 2.001646253432014
Energy: 1.9917754188319787
Energy: 2.5541136007334186
Energy: 2.3495152454222703
Energy: 1.723525317671541
Energy: 1.7262790996600867
Energy: 2.0038276467390332
Energy: 1.7255728606630347
Energy: 2.1060321810932936
Energy: 2.006795706640745
Energy: 1.7238933694752774
Energy: 1.72186508139169
Energy: 1.6300214644157844
Energy: 1.724054235388262
Energy: 2.108529000492641
Energy: 2.177598609073227
Energy: 1.7212329440757308
Energy: 1.7199071710309493
Energy: 2.1053935498059886
Energy: 1.722490219148867
Energy: 2.0273919283504536
Energy: 2.0057942904096167
Energy: 2.003699892810252
Energy: 1.7208222153499921
Energy: 1.9921499192886651
Energy: 2.002841138291718
Energy: 2.0014803513654464
Energy: 1.9975405782606157
Energy: 1.993044510194603
Energy: 1.9926054314229835
Energy: 2.1636575794161095
Energy: 2.6296640838689154
Energy: 2.002690499711438
Energy: 2.3465641412432583
Energy: 2.0264770714411227
Energy: 1.7216432938420416
Energy: 1.9966966446737882
Energy: 1.7195265848327779
Energy: 2.453985089499756
Energy: 2.3469979509331123
Energy: 1.7234053934545261
Energy: 2.099910619161725
Energy: 2.0045575069849346
Energy: 1.7248513780659205
Energy: 2.3457161819721426
Energy: 1.9936006659263978
Energy: 1.7242736553498175
Energy: 1.7185387161512766
Energy: 1.630255350148199
Energy: 1.723134344077979
Energy: 1.7209343068450493
Energy: 2.0303160645636837
Energy: 1.7251837526927454
Energy: 1.718984867290264
Energy: 2.0265096246567773
Energy: 1.7216361442361896
Energy: 2.1040508733347543
Energy: 2.0710455820674083
Energy: 2.028353551256015
Energy: 1.7211461687725027
Energy: 2.1099252114674765
Energy: 1.7227844839715865
Energy: 2.0270319885089236
Energy: 2.0045401522182718
Energy: 1.9945842482706468
Energy: 2.0016455917581406
Energy: 2.021100864431455
Energy: 1.9932079171946406
Energy: 1.9943662325851668
Energy: 1.994873869690844
Energy: 1.993825642714369
Energy: 2.0011551233222407
Energy: 2.0006995633940594
Energy: 2.010816121779034
Energy: 1.9932476551724294
Energy: 2.346897534058892
Energy: 2.0272113876505746
Energy: 1.9922791968453124
Energy: 2.001430083735431
Energy: 1.7223229387024386
Energy: 2.6936052817125318

minimum gb energy = 1.6300214644157844 eV
minimum distance =  2.41157427523221 Angstroms
sigma value = 11


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

Energy: 3.06097797771952
Energy: 2.129804977609288
Energy: 2.2636149359085826
Energy: 2.265667191021436
Energy: 2.2649154497249717
Energy: 2.6776162333813436
Energy: 2.0108172050458113
Energy: 2.6436038653588327
Energy: 2.31500478588887
Energy: 2.3395388589826376
Energy: 2.205603992186238
Energy: 1.9100629932097528
Energy: 1.9083102265200387
Energy: 1.9291681842994306
Energy: 2.2263895195636945
Energy: 2.187417111383072
Energy: 2.2279100674696926
Energy: 1.9102641196659844
Energy: 1.9095834164763508
Energy: 1.9705707773454948
Energy: 1.9097322881488834
Energy: 2.1688867390332662
Energy: 1.9085396141161302
Energy: 1.9092910142634372
Energy: 1.9136379452725396
Energy: 1.9707098182842078
Energy: 1.9706048589485126
Energy: 2.33937150355313
Energy: 1.9710554891716152
Energy: 1.909099328631718
Energy: 1.918186106709402
Energy: 1.9088021009430556
Energy: 2.3398741657176467
Energy: 2.3402257417846815
Energy: 2.256547187622659
Energy: 1.9137378405650125
Energy: 2.3170027937169415
Energy: 2.137073528578637
Energy: 2.3243060877759625
Energy: 2.306494374440202
Energy: 2.3834297953554215
Energy: 2.1519513821139005
Energy: 2.327193578428167
Energy: 2.0277926230240357
Energy: 2.1680657089093187
Energy: 2.2627347966462925
Energy: 2.2233534358057447
Energy: 2.4929280476562754
Energy: 2.02163016092936
Energy: 1.908979357263167
Energy: 2.4204364809971954
Energy: 2.430893345186922
Energy: 2.027141232245302
Energy: 2.023361825692527
Energy: 2.021611555350771
Energy: 2.052841307661549
Energy: 2.1989597156480816
Energy: 2.430812473414299
Energy: 1.9082804303889436
Energy: 2.021869679342238
Energy: 2.0469903456629672
Energy: 2.156904270162514
Energy: 2.0308364971372543
Energy: 2.0496265689280966
Energy: 2.233692441121842
Energy: 2.137118853507634
Energy: 2.0479370883628722
Energy: 2.0293256264475503
Energy: 2.138564668429008
Energy: 2.0472232998003954
Energy: 2.2345110910480006
Energy: 2.136289863664434
Energy: 2.1634250003056
Energy: 2.2335336864072746
Energy: 2.052543191261478
Energy: 2.049798576478792
Energy: 2.15697469123846
Energy: 2.0283555307478887
Energy: 2.3340287866546436
Energy: 2.0221954814577527
Energy: 2.021630516695786
Energy: 2.024519518992618
Energy: 2.021875316092389
Energy: 2.023162927179795
Energy: 2.171114751193363
Energy: 2.1999135380479173
Energy: 2.3775413748106318
Energy: 2.022734868001566
Energy: 2.4105469896817713
Energy: 2.2612008165970265
Energy: 2.266846555487299
Energy: 2.264065314668681
Energy: 2.125784165028571
Energy: 2.4259847697936596
Energy: 2.3554811028085254
Energy: 2.264821330416316
Energy: 2.3416225554616577
Energy: 2.354358233118645
Energy: 2.6429399815822956
Energy: 1.9010712598814796
Energy: 2.1990613753979877
Energy: 2.3154873871288606
Energy: 2.2491365353464223
Energy: 2.2276307832150706
Energy: 1.909558627954804
Energy: 1.9089685738767048
Energy: 1.9698797025459744
Energy: 2.249434435535013
Energy: 2.341514559762772
Energy: 1.908768021230014
Energy: 1.974801146698987
Energy: 1.9100992713801215
Energy: 1.9730975319210684
Energy: 2.263529054114352
Energy: 2.3400806088349957
Energy: 1.9709253926887045
Energy: 1.969426233018383
Energy: 1.920244222074653
Energy: 1.9713522865925739
Energy: 2.2271018836781673
Energy: 2.3404346440394965
Energy: 2.0472802150941813
Energy: 1.9091039241707044
Energy: 1.9180618946270938
Energy: 2.2256497413209804
Energy: 2.3395671383120926
Energy: 2.3331556725142972
Energy: 2.2759889882692668
Energy: 2.593099747217796
Energy: 2.3174044461754457
Energy: 2.0305031636438593
Energy: 2.338912567460851
Energy: 2.2631574480321315
Energy: 2.1679786209170335
Energy: 2.4590859740450055
Energy: 2.275851048108306
Energy: 2.234686777005635
Energy: 2.2866811440630395
Energy: 2.4289404753944726
Energy: 2.470945242368114
Energy: 1.9087678379754751
Energy: 2.0230759024459695
Energy: 1.9122581007508164
Energy: 2.3241224811806593
Energy: 2.431619530559817
Energy: 1.9182341423616194
Energy: 2.0210546909110643
Energy: 2.020245264464276
Energy: 2.052848210602073
Energy: 2.324171569781718
Energy: 2.0215561916812486
Energy: 2.2340611206308227
Energy: 2.136791206881749
Energy: 2.0461422344180873
Energy: 2.2356123484368653
Energy: 2.0273737189758
Energy: 2.0496053411529664
Energy: 2.157765797856523
Energy: 2.1577852076277875
Energy: 2.050132828666075
Energy: 2.0311807333015732
Energy: 2.1350133328212224
Energy: 2.0497791201745543
Energy: 2.052571076065822
Energy: 2.0324305509962812
Energy: 2.021907271137038
Energy: 2.234008907431641
Energy: 2.0511138938538322
Energy: 2.0213189623181393
Energy: 2.021250498004612
Energy: 2.02207867623397
Energy: 2.333762035511411
Energy: 2.0230625706981473
Energy: 2.02056845753193
Energy: 2.024691308914006
Energy: 2.3780065058729485
Energy: 2.2863187693072584
Energy: 2.170989591622144
Energy: 2.2001012609361466
Energy: 2.029133380355051
Energy: 2.4233859184743927
Energy: 2.1677132321371877
Energy: 2.2856339609660283
Energy: 2.2654743875024095
Energy: 2.2518374453245196
Energy: 2.4184997214137938

minimum gb energy = 1.9010712598814796 eV
minimum distance =  2.45406725568764 Angstroms
sigma value = 57


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

Energy: 3.194888824573475
Energy: 1.962630633630667
Energy: 2.101681804438926
Energy: 2.1004443889546356
Energy: 2.1016717013987405
Energy: 3.033272578450371
Energy: 2.25435651876378
Energy: 2.08603229006794
Energy: 2.082568405212042
Energy: 2.294147654346379
Energy: 2.0490179562269506
Energy: 2.0885950423303643
Energy: 1.9132134772710774
Energy: 2.026301621143692
Energy: 2.0836006840279873
Energy: 1.89708382471973
Energy: 2.0845910710811952
Energy: 1.9201488619161915
Energy: 1.9174518508518084
Energy: 2.0245832051982764
Energy: 2.114429255268118
Energy: 1.9198528379211246
Energy: 2.1151082961412744
Energy: 1.9194307864779563
Energy: 1.9207115108148056
Energy: 2.022743405096652
Energy: 2.0832825165594513
Energy: 2.1045313418449276
Energy: 2.083211673747911
Energy: 2.023448100019103
Energy: 1.9184453324184165
Energy: 2.085118579714104
Energy: 2.571610920927436
Energy: 2.103141692038953
Energy: 2.0832554977807014
Energy: 2.0826682451594603
Energy: 2.1050103939469857
Energy: 2.0475949797944355
Energy: 2.1028348506898067
Energy: 2.107099993502406
Energy: 2.1117158979531365
Energy: 2.0852832588156027
Energy: 2.1044523095528067
Energy: 2.083149252000429
Energy: 2.0930201111652966
Energy: 2.0911547087369176
Energy: 2.374076272407116
Energy: 2.1058103219955577
Energy: 2.0915267231613193
Energy: 2.082775592577735
Energy: 2.261712515816352
Energy: 2.2529499775654935
Energy: 2.08392069377966
Energy: 1.9210008490236599
Energy: 2.105847206204733
Energy: 2.0840634520568835
Energy: 2.2622144278321725
Energy: 2.2536453196849973
Energy: 2.0838640589334685
Energy: 1.9135797559032164
Energy: 1.896045138298982
Energy: 2.083823948727228
Energy: 2.0821966737508584
Energy: 1.9185672577679183
Energy: 2.0838301127159817
Energy: 2.091983299632281
Energy: 1.9014306579371962
Energy: 2.084244427645764
Energy: 2.0236759010858933
Energy: 1.9170617667295031
Energy: 2.0235467110536223
Energy: 2.046775897236603
Energy: 1.9206237098941505
Energy: 2.1166079869468666
Energy: 2.0232579384732325
Energy: 1.916796535582318
Energy: 2.0217207565152897
Energy: 2.115084106272224
Energy: 2.29069324409877
Energy: 2.084978526972914
Energy: 1.9133439663987613
Energy: 1.9184109384090877
Energy: 2.022612602298479
Energy: 2.1104638946664633
Energy: 2.2940680573991536
Energy: 2.0840642594080596
Energy: 2.0820563964832943
Energy: 1.9194919633932077
Energy: 2.0857704426922843
Energy: 2.102504860606773
Energy: 2.1053783794420116
Energy: 2.101087398547174
Energy: 2.10224639988443
Energy: 2.381136894635738
Energy: 2.108113019945725
Energy: 2.1017668627108606
Energy: 2.2542888266693804
Energy: 2.087255816288706
Energy: 2.085087274632565
Energy: 2.0901635732858463
Energy: 2.0842114751412857
Energy: 2.1120157160091746

minimum gb energy = 1.896045138298982 eV
minimum distance =  2.46846597207781 Angstroms
sigma value = 9


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

Energy: 3.460263574627477
Energy: 2.1147532062625998
Energy: 2.129783298878691
Energy: 2.1334782568450374
Energy: 2.126641887108366
Energy: 2.113788718178186
Energy: 2.0682364241522326
Energy: 2.041728973468531
Energy: 2.2912922799156896
Energy: 2.1261215286584574
Energy: 2.040187925862957
Energy: 2.2923564219188672
Energy: 2.0380048920629794
Energy: 2.03244699254925
Energy: 2.319588342024275
Energy: 2.073406797259863
Energy: 2.032976236670646
Energy: 2.03067682674703
Energy: 2.028888985696145
Energy: 2.0338637861617084
Energy: 2.1908191420650924
Energy: 2.0421400176392073
Energy: 2.294459438628982
Energy: 2.0299082265735118
Energy: 2.0769726195256224
Energy: 2.0942508615918936
Energy: 2.0851103738147754
Energy: 2.034204895306158
Energy: 2.0925450187615247
Energy: 2.192678457599579
Energy: 2.033549083353473
Energy: 2.1899320955468
Energy: 2.191201194714989
Energy: 2.029541551787258
Energy: 2.200734355157137
Energy: 2.1437726585283086
Energy: 2.130466628366154
Energy: 2.0323545547757806
Energy: 2.0340022935214006
Energy: 2.0337678503763446
Energy: 2.0835854799609677
Energy: 2.190079831156569
Energy: 2.1299789758553356
Energy: 2.2630804582406934
Energy: 2.1048769785816326
Energy: 2.0305313028506733
Energy: 2.119593272775164
Energy: 2.292404745782324
Energy: 2.1291577632488567
Energy: 2.1272873316609457
Energy: 2.4455049170372263
Energy: 2.1242107298909585
Energy: 2.262886206719464
Energy: 2.1266030937414504
Energy: 2.1284779083448493
Energy: 2.2917004278831166
Energy: 2.4541604242529926
Energy: 2.1240309008289526
Energy: 2.2631878761788884
Energy: 2.291283767523736
Energy: 2.1594035570199623
Energy: 2.262029079901479
Energy: 2.1282795164265624
Energy: 2.126538589367043
Energy: 2.029784027927543
Energy: 2.0773696982129826
Energy: 2.160059982018838
Energy: 2.263742227527101
Energy: 2.127043152064119
Energy: 2.130555742628754
Energy: 2.2656466346638506
Energy: 2.0647498099108774
Energy: 2.030197253556517
Energy: 2.2016751285527802
Energy: 2.2624972065035123
Energy: 2.0723341401747883
Energy: 2.2627891057647287
Energy: 2.200288449110663
Energy: 2.0329554645420953
Energy: 2.0344115628215316
Energy: 2.2442772496360686
Energy: 2.071523167091939
Energy: 2.0313227097070827
Energy: 2.031930655495589
Energy: 2.0297609225215067
Energy: 2.1991634286170414
Energy: 2.146167543897686
Energy: 2.0320082590491886
Energy: 2.1902674181689985
Energy: 2.185872174210414
Energy: 2.029332319874433
Energy: 2.183158694044638
Energy: 2.1997432361557143
Energy: 2.0307605649960094
Energy: 2.0922892605013224
Energy: 2.145659024978618
Energy: 2.042795086437378
Energy: 2.1868592530733593
Energy: 2.037263273454688
Energy: 2.0333266161808616
Energy: 2.0325109168004434
Energy: 2.190609696921228
Energy: 2.1299067515017995
Energy: 2.2624600325445656
Energy: 2.03224059802739
Energy: 2.029400291958403
Energy: 2.0876268448471063
Energy: 2.2617925629029147
Energy: 2.1318735584485924
Energy: 2.041302226104947
Energy: 2.2928635097230394
Energy: 2.1207653643831197
Energy: 2.262201618671433
Energy: 2.127441776832796
Energy: 2.1285545331833573
Energy: 2.1280450220423512
Energy: 2.1279527358920935
Energy: 2.125195959571468
Energy: 2.1270048881032495
Energy: 2.127604590665918
Energy: 2.159456360349917
Energy: 2.0405077556835316
Energy: 2.2917178614085643
Energy: 2.1286248001022043
Energy: 2.041051477157709
Energy: 2.043023067335906

minimum gb energy = 2.028888985696145 eV
minimum distance =  2.44550859780545 Angstroms
sigma value = 27


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

Energy: 2.1977493840499434
Energy: 2.134669472526631
Energy: 2.119319886659795
Energy: 2.124729018643396
Energy: 2.1181060687022866
Energy: 2.1346133633987403
Energy: 2.03870473006999
Energy: 2.3336106104864562
Energy: 2.1395047594249266
Energy: 2.1931241301350886
Energy: 2.1395289898147
Energy: 2.0800019567330743
Energy: 2.0762039401887677
Energy: 2.0753986685273325
Energy: 2.4972978791673666
Energy: 2.50113484331155
Energy: 2.070982168040344
Energy: 2.0723108911210475
Energy: 2.0975934401791188
Energy: 2.095301889927707
Energy: 2.3402386765458125
Energy: 2.040707786562808
Energy: 2.2025175196344775
Energy: 2.0944935663129045
Energy: 2.1055952008982817
Energy: 2.180527859962494
Energy: 2.1427150034152382
Energy: 2.0417550601989776
Energy: 2.128984840849612
Energy: 2.285772691489332
Energy: 2.0763666619782284
Energy: 2.3037495873479505
Energy: 2.1305477479506956
Energy: 2.040174822633973
Energy: 2.134436857197583
Energy: 2.3011556987185924
Energy: 2.082001546962951
Energy: 2.1709144113053114
Energy: 2.1331199623546966
Energy: 2.1012582600302507
Energy: 2.162197070320002
Energy: 2.22814694517252
Energy: 2.0825386555146173
Energy: 2.326326225732213
Energy: 2.0485683856179038
Energy: 2.0266696027518023
Energy: 2.3713094457712947
Energy: 2.0838562182630818
Energy: 2.082659275428717
Energy: 2.0852681680962886
Energy: 2.0850676493929945
Energy: 2.1440490213862597
Energy: 2.0862779004443524
Energy: 2.0828502050323645
Energy: 2.0285675227802002
Energy: 2.24767227306045
Energy: 2.0257707946805517
Energy: 2.121157490634842
Energy: 2.0316686156159145
Energy: 2.2455904024492965
Energy: 2.1624072443478917
Energy: 2.370154728891369
Energy: 2.1221084484642327
Energy: 2.1225281897326806
Energy: 2.1226515779852138
Energy: 2.08557862207031
Energy: 2.163095664319281
Energy: 2.370169250892489
Energy: 2.1068523048469943
Energy: 2.105697328654912
Energy: 1.998197380434728
Energy: 2.0750098862960904
Energy: 2.0135108154766677
Energy: 2.2455922438382547
Energy: 2.0752711070464707
Energy: 2.073969349900977
Energy: 2.083333013871444
Energy: 2.0128835369164872
Energy: 2.094415319125664
Energy: 2.122723496129518
Energy: 1.9891069301828448
Energy: 2.1179464521614553
Energy: 2.074129385162614
Energy: 2.1220194870395743
Energy: 2.1189639930871196
Energy: 2.3700474442182644
Energy: 2.0512523061371235
Energy: 2.039762085676727
Energy: 2.0506926934386907
Energy: 2.497353570841219
Energy: 2.1147109650043
Energy: 2.224795782007331
Energy: 2.061202497998287
Energy: 2.059748368947826
Energy: 2.028735966975816
Energy: 2.141727947104935
Energy: 2.0399576724317674
Energy: 2.1902301507599713
Energy: 2.228188612927628
Energy: 2.021261871368377
Energy: 2.2693553671170674
Energy: 2.0296979962126978
Energy: 2.0383944892223598
Energy: 2.1611852835244565
Energy: 2.027431134080775
Energy: 2.048102143819103
Energy: 2.1979247747932904
Energy: 2.141846454413878
Energy: 2.038194744394193
Energy: 2.2054066035381927
Energy: 2.1815894204612976
Energy: 2.078533626920479
Energy: 2.3213549403723848
Energy: 2.166941029596319
Energy: 2.0431307829393255
Energy: 2.1553632011176296
Energy: 2.2813414623968225
Energy: 2.0795333937403635
Energy: 2.292137322950451
Energy: 2.1630314477099017
Energy: 2.1093379853899075
Energy: 2.4094478067077447
Energy: 2.0794695182299043
Energy: 2.0809203274436276
Energy: 2.0803747569338933
Energy: 2.4083747297164058
Energy: 2.065443387359502
Energy: 2.330348715840412
Energy: 2.0503798511503715
Energy: 2.0322358243920617
Energy: 2.0487163093174616
Energy: 2.3293095991561277
Energy: 2.1693302409527884
Energy: 2.3622941468672316
Energy: 2.0946804207038623
Energy: 2.163177515853803
Energy: 2.348018144229553
Energy: 2.1661792747581834
Energy: 2.14273232768857
Energy: 2.2052478824243202
Energy: 2.109258297920102
Energy: 2.1426289109138086
Energy: 2.114029661489437
Energy: 2.204698964266792
Energy: 2.1052651120385812
Energy: 2.385456672611304
Energy: 2.2845229998204695
Energy: 2.1146651149280284
Energy: 2.2559669414902968
Energy: 2.0212555991206673

minimum gb energy = 1.9891069301828448 eV
minimum distance =  2.4415906822368 Angstroms
sigma value = 19


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

Energy: 2.0827741524295766
Energy: 1.9567001621077729
Energy: 2.029693956690692
Energy: 2.032488025534072
Energy: 2.028962111526279
Energy: 2.1050569027432764
Energy: 2.0383122631583763
Energy: 2.0230627682056865
Energy: 2.021856158166259
Energy: 2.0974587396837348
Energy: 1.9513643101624845
Energy: 2.1196072103597423
Energy: 1.9482774942523218
Energy: 1.9472219831170636
Energy: 2.2300557756555213
Energy: 2.3931339758547514
Energy: 1.948309712870645
Energy: 1.9477603483549983
Energy: 2.003867043872683
Energy: 1.9321528163715254
Energy: 2.1708374515433797
Energy: 1.9506168926771343
Energy: 2.1237126053033846
Energy: 1.9486336129720039
Energy: 1.9289034178539195
Energy: 2.1310313374354215
Energy: 2.026186728756555
Energy: 1.9274579730883827
Energy: 2.028374115154035
Energy: 2.083988222187543
Energy: 1.899123378875887
Energy: 2.2129110582184737
Energy: 1.9273831082914024
Energy: 1.9281893293927654
Energy: 2.02752036393719
Energy: 2.085266728606353
Energy: 1.9263730744174623
Energy: 2.093266425499776
Energy: 2.092146398796252
Energy: 2.0124303536458896
Energy: 2.092698098701543
Energy: 2.0919276180232984
Energy: 1.9260087507719799
Energy: 2.091660298886552
Energy: 2.203386551981381
Energy: 1.9021652654168968
Energy: 2.2154212605703663
Energy: 1.9268106208954296
Energy: 1.9445201072872231
Energy: 2.0283278746880407
Energy: 2.084455225197928
Energy: 1.941644656753611
Energy: 2.0849442474315247
Energy: 2.0309695591838057
Energy: 1.926303481707355
Energy: 2.1442638145787165
Energy: 1.9404045407769086
Energy: 2.0041161873384605
Energy: 2.2481081032923016
Energy: 1.9105842491160132
Energy: 1.9370740546419294
Energy: 1.948813771546919
Energy: 1.9410183819509448
Energy: 1.947705719618724
Energy: 1.9409631656218789
Energy: 1.940746986405241
Energy: 2.101726223345355
Energy: 1.9406944070942145
Energy: 2.184425782639355
Energy: 1.9417930297610668
Energy: 2.0477702676712446
Energy: 1.950667032271374
Energy: 2.0315715682274083
Energy: 2.0290393299525156
Energy: 2.0106759044348306
Energy: 2.036272894482011
Energy: 1.9403539228071771
Energy: 2.0288951157025963
Energy: 2.0301514923790447
Energy: 1.9511341123483956
Energy: 1.9519525052050843
Energy: 2.024518902483406
Energy: 1.9477315176987324
Energy: 2.203975471310802
Energy: 1.94528602407389
Energy: 1.9369546488236309
Energy: 2.0286651076446054
Energy: 2.0292438184739354
Energy: 1.9407236124501914
Energy: 2.0135370127167804
Energy: 2.0347308876007513
Energy: 1.976070850590604
Energy: 2.023258154060889
Energy: 2.097566861228389
Energy: 2.297531612163105
Energy: 1.9288631748095046
Energy: 1.940552901079058
Energy: 1.9140906746031214
Energy: 1.9335345704429716
Energy: 1.947476736865463
Energy: 1.9476343728411374
Energy: 1.9464559710532199
Energy: 2.0039093010408116
Energy: 1.8934714517125812
Energy: 2.111731744098558
Energy: 2.073167105437996
Energy: 2.187786641224484
Energy: 1.9158064675629412
Energy: 1.9292331889286296
Energy: 2.1319750307437206
Energy: 1.910476074822566
Energy: 1.9261006492929686
Energy: 2.0841407521803883
Energy: 2.246059591433495
Energy: 2.0045985258930514
Energy: 2.213071172149557
Energy: 2.028971388243791
Energy: 1.9259417413328903
Energy: 2.0275055177793435
Energy: 2.084695059954191
Energy: 1.9290322673875533
Energy: 2.1563569101939017
Energy: 2.0919265915682
Energy: 1.9266149034547946
Energy: 2.0929978959785402
Energy: 1.8995177881873364
Energy: 1.926334978995073
Energy: 2.0917652477408195
Energy: 2.0642520238314837
Energy: 1.928757346230778
Energy: 2.156452714616011
Energy: 2.0924071076362174
Energy: 1.9265129366030744
Energy: 2.028784351275562
Energy: 2.205521864768645
Energy: 2.0042193619613133
Energy: 2.0286689307917705
Energy: 2.031915709991068
Energy: 1.926172250586109
Energy: 1.9436809545680274
Energy: 2.2485762094062585
Energy: 1.941610900606101
Energy: 2.2497804454057047
Energy: 1.943459324890234
Energy: 2.0227887138725342
Energy: 2.0845418763785077
Energy: 1.972753567685065
Energy: 2.005968288857777
Energy: 2.005674245764462
Energy: 1.926541670839519
Energy: 1.936728957083873
Energy: 1.9476903992136458
Energy: 1.914713210541144
Energy: 1.940346796893054
Energy: 2.1332757652122045
Energy: 2.0052945873919366
Energy: 2.100517682706044
Energy: 2.0291398228400173
Energy: 1.9400191157733675
Energy: 2.037121570667212
Energy: 2.2495182407055125
Energy: 2.029203265720861
Energy: 2.0294490384892447
Energy: 2.203704649221728
Energy: 1.9127936776190293
Energy: 2.03688956795724
Energy: 2.2429100629434204
Energy: 2.203176015820428
Energy: 1.9455907469318268
Energy: 2.2441906202495927
Energy: 2.2043786523071107
Energy: 2.0287864157350866
Energy: 2.1335358594024516
Energy: 1.8998325019441031

minimum gb energy = 1.8934714517125812 eV
minimum distance =  2.45490205507974 Angstroms
sigma value = 101


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

Energy: 2.0342737529056305
Energy: 1.9027005302332114
Energy: 1.9880182109321225
Energy: 1.9893573911221407
Energy: 1.9884505858671802
Energy: 2.3805590829152177
Energy: 1.972358505216524
Energy: 1.8973476493810197
Energy: 1.8583961914386469
Energy: 2.0012362264480923
Energy: 1.831465663244017
Energy: 2.0301535717159207
Energy: 1.859356064580426
Energy: 1.8321277879344018
Energy: 1.8380798716087938
Energy: 2.38857394599944
Energy: 1.8569450718787108
Energy: 1.8592626428889818
Energy: 1.8559701553734378
Energy: 1.8296784611810797
Energy: 1.8295035490571958
Energy: 1.8699317420385926
Energy: 1.8264109255764898
Energy: 1.858469092216656
Energy: 1.8093099647938473
Energy: 2.022479605161501
Energy: 1.8310234586091827
Energy: 1.835568650613064
Energy: 1.835033596270243
Energy: 2.1065015437577497
Energy: 1.8294282843238387
Energy: 2.158733059389522
Energy: 1.8309107122851664
Energy: 1.8717942289551144
Energy: 1.8298948429644364
Energy: 1.8287764156150403
Energy: 1.8390756829579593
Energy: 2.033316261992658
Energy: 2.0674592846257616
Energy: 2.0676736331571925
Energy: 2.080051928782125
Energy: 2.0286042498426857
Energy: 1.8384271924138134
Energy: 2.0314812710871335
Energy: 2.136336983918389
Energy: 1.8166237862714267
Energy: 2.1508039327220483
Energy: 1.836923680410835
Energy: 1.8865727951842148
Energy: 2.03290953638192
Energy: 2.0665186305836247
Energy: 1.8692223372557313
Energy: 2.0907313344265863
Energy: 2.0312103269680386
Energy: 1.8330180380701742
Energy: 2.1578844395785164
Energy: 1.8332215800786629
Energy: 1.8685707977158008
Energy: 2.0664634204625094
Energy: 1.8284123995618695
Energy: 1.8980026887894033
Energy: 2.0231929479048083
Energy: 1.8347830643554521
Energy: 1.830350800136521
Energy: 1.8332994497269262
Energy: 2.0230138980083936
Energy: 1.858613540447774
Energy: 2.0219843066680285
Energy: 1.9288745394122633
Energy: 1.869482205328924
Energy: 1.928890632384544
Energy: 1.8570980749084058
Energy: 1.8589696800496827
Energy: 1.8598535965731
Energy: 1.8575307309012836
Energy: 1.8538734761665834
Energy: 1.8603729375616564
Energy: 1.8591219741544966
Energy: 1.856570145837315
Energy: 2.130449213405055
Energy: 1.8304324973650195
Energy: 1.8534755024065706
Energy: 1.8577832967306673
Energy: 2.127669774505484
Energy: 1.9654758504604597
Energy: 2.205999068631306
Energy: 1.9876610943943185
Energy: 1.9898308507119091
Energy: 1.9868410659014573
Energy: 1.8686106101688498
Energy: 1.9270807206503509
Energy: 1.8905270412513384
Energy: 2.1555431822166247
Energy: 1.9553155139123672
Energy: 1.8655302588105875
Energy: 1.890507982489532
Energy: 1.9880477938808596
Energy: 1.8574232003797604
Energy: 1.8994159545683797
Energy: 1.897029347395156
Energy: 1.8576894710551017
Energy: 1.9871882195051784
Energy: 1.9880018951682823
Energy: 1.8733404341244544
Energy: 1.8897041694600927
Energy: 1.9319906670851223
Energy: 1.870431835777489
Energy: 1.9885326332777344
Energy: 1.8989768195806
Energy: 1.8652834842967878
Energy: 2.0330409124477726
Energy: 1.8595650053150639
Energy: 1.858423938635511
Energy: 1.810454216904352
Energy: 1.906381441162523
Energy: 1.8264504085795852
Energy: 1.8598856405141317
Energy: 1.8590978249567272
Energy: 1.8282705901268226
Energy: 2.1522980855484315
Energy: 1.8301158566933329
Energy: 1.833676886234372
Energy: 2.024572715558851
Energy: 1.808471933554524
Energy: 2.025838174864977
Energy: 1.8344415699555578
Energy: 1.8694069079018036
Energy: 1.8311927175385572
Energy: 2.1575592714673753
Energy: 1.858892338381646
Energy: 2.1602237071614394
Energy: 1.8314484316704946
Energy: 1.8705753087565682
Energy: 2.068603118852506
Energy: 1.888098237738952
Energy: 1.8389179059192442
Energy: 2.051207844195055
Energy: 2.06695990698941
Energy: 1.8731898476330993
Energy: 2.1352881841427314
Energy: 2.0331264866887246
Energy: 1.8376832220672596
Energy: 2.035275409861792
Energy: 1.814581400489226
Energy: 1.8690321823007
Energy: 2.061810997408045
Energy: 2.032346757647685
Energy: 1.8374550247637365
Energy: 2.0341661878562887
Energy: 1.8306172895793504
Energy: 1.8301424431159083
Energy: 2.0664811916052743
Energy: 1.8293278476979289
Energy: 1.8396771010155428
Energy: 2.1369055712130143
Energy: 2.0678686932766626
Energy: 1.831727740768638
Energy: 1.8346316204410902
Energy: 2.1582883776465414
Energy: 1.857548993896571
Energy: 1.817820879282072
Energy: 1.8305919371167434
Energy: 1.8690922789392532
Energy: 1.8335887674159437
Energy: 2.253622176536503
Energy: 1.8989450203139613
Energy: 2.252257456731253
Energy: 1.8340953408286458
Energy: 1.8541565491997059
Energy: 1.8565094950122578
Energy: 1.858851744444226
Energy: 1.8622264518239589
Energy: 1.9305216360633242
Energy: 1.8307672734350946
Energy: 1.8546708712914008
Energy: 1.859322930791531
Energy: 2.12804526595334
Energy: 1.8571250127764658
Energy: 1.9300528181116068
Energy: 1.8301413264701654
Energy: 1.9894570301673957
Energy: 1.9877687759548521
Energy: 2.209068861748153
Energy: 1.967033847877588
Energy: 2.2899295791552934
Energy: 1.987578921867223
Energy: 1.9879409038867637
Energy: 2.1539545938232605
Energy: 2.2064494516644078
Energy: 1.9668975547434733
Energy: 2.205381672619103
Energy: 2.154112518040308
Energy: 1.8970522107598369
Energy: 1.860005760204922
Energy: 2.029068345380396
Energy: 1.9871492365527212
Energy: 2.0312304077471337
Energy: 1.8084832473648869

minimum gb energy = 1.808471933554524 eV
minimum distance =  2.48206993769706 Angstroms
sigma value = 33


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

Energy: 0.019613164436742558
Energy: 0.020168400755718664
Energy: 28.13896586858698
Energy: 2.4324948629098215
Energy: 28.129951297297186
Energy: 0.020352599646472097
Energy: 0.020260080165157998
Energy: 46.03960832652778
Energy: 7.367734012433656
Energy: 0.8967711914333811
Energy: 46.301062845167365
Energy: 0.9547876664417125
Energy: 2.4699603936037593
Energy: 28.03849053367643
Energy: 0.02035160010082785
Energy: 0.019839552488555668
Energy: 27.801794986595073
Energy: 1.235415668114699
Energy: 0.6287379218982262
Energy: 46.04791385926873
Energy: 1.0260407020514521
Energy: 0.8265897240155341
Energy: 46.162907237172945
Energy: 1.0788859194139804

minimum gb energy = 0.019613164436742558 eV
minimum distance =  2.59037809607259 Angstroms
sigma value = 1