Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001
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=6.810535640520251
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=[2.3083199636691596e-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: 0.017335751967448826
Energy: 0.01764213100046111
Energy: 0.23912924003453243
Energy: 0.23881393397907652
Energy: 0.2392710107879204
Energy: 0.01817866286858985
Energy: 0.01764213100046111
Energy: 20.469695080845554
Energy: 22.008931180700987
Energy: 0.23942925476435525
Energy: 22.01159447740857
Energy: 20.299672305875177
Energy: 0.23912924003490038
Energy: 21.877906716417986
Energy: 20.041873061888058
Energy: 0.018739533151456406
Energy: 20.534725516562283
Energy: 0.2385784949897191
Energy: 0.23881393397098175
Energy: 0.23942925476435525
Energy: 0.018739533151456406
Energy: 0.01767313145165466
Energy: 0.2389658290109701
Energy: 0.2387808902119638
Energy: 0.23927101078828836
Energy: 20.890055613539943
Energy: 20.754948517456903
Energy: 0.2389658290113841
Energy: 20.138679680286355
Energy: 0.23920614569701848
Energy: 0.018178662869371733
Energy: 20.38616121675816
Energy: 0.2385784949897191
Energy: 0.23878089021154988
Energy: 0.23920614569701848
Energy: 0.019212047532334294

minimum gb energy = 0.017335751967448826 eV
minimum distance =  2.71946757686531 Angstroms
sigma value = 1


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

Energy: 2.5503056288168193
Energy: 1.903849546927485
Energy: 1.9725838941682419
Energy: 1.9658750718590992
Energy: 1.9648247432499062
Energy: 1.9000664768012954
Energy: 1.9977694454766837
Energy: 1.956659586851768
Energy: 1.9745286832815425
Energy: 1.9750925749173753
Energy: 1.9714767105336441
Energy: 1.9918928599531636
Energy: 1.9719328665276286
Energy: 1.9729099445731328
Energy: 1.9338183098779276
Energy: 1.955176988385434
Energy: 1.9680037439595712
Energy: 1.976034382821086
Energy: 1.959414855693127
Energy: 1.9656160411985106
Energy: 1.9352533848036602
Energy: 1.9382550419894864
Energy: 1.9648568692049915
Energy: 1.9690480863886026
Energy: 2.0037353663090562
Energy: 1.9736371992730515
Energy: 1.982527714664617
Energy: 1.948354479160447
Energy: 1.956364360592598
Energy: 1.9765291755381997
Energy: 1.9591493057849672
Energy: 1.9390887883576735
Energy: 1.9452557900130572
Energy: 1.9725751472720854
Energy: 1.9397820327000892
Energy: 1.9392342019911548
Energy: 1.9601547646933672
Energy: 1.9382598515801912
Energy: 1.976459663507403
Energy: 1.9862628351232026
Energy: 1.9373033006306217
Energy: 1.9389594928156693
Energy: 2.0446004367109034
Energy: 2.048830274387633
Energy: 1.970358578993854
Energy: 1.9692151967957272
Energy: 1.941363097045048
Energy: 2.050977890917715
Energy: 2.006515006063055
Energy: 1.9375060314143597
Energy: 1.9448956804282003
Energy: 1.984941244044038
Energy: 1.9488176582392414
Energy: 1.9385407533973333
Energy: 2.0132501788114903
Energy: 1.9372339415020516
Energy: 1.9419993943252825
Energy: 1.9750140858810454
Energy: 1.937337646021753
Energy: 1.9620396418705661
Energy: 2.0169518397208868
Energy: 2.0481504170442184
Energy: 1.9747014680079833
Energy: 1.9765141923827163
Energy: 1.9738492765517928
Energy: 1.9820416416333124
Energy: 1.965292436200753
Energy: 1.9650314134098266
Energy: 1.8921075800035758
Energy: 1.9111544793811774
Energy: 1.9640910726093885
Energy: 2.001334278163422
Energy: 1.9897204992949602
Energy: 1.9680502550230385
Energy: 1.891748316526159
Energy: 1.9056356980071054
Energy: 1.9641451182726064
Energy: 1.967456462499234
Energy: 1.976448373216519
Energy: 1.977874446916364
Energy: 1.9709826911060657
Energy: 1.985262604918132
Energy: 1.972748600233237
Energy: 1.9803949266388507
Energy: 1.9562164568127822
Energy: 1.9674119915410448
Energy: 1.9714437557697613
Energy: 1.9717643815678743
Energy: 1.9673983819900327
Energy: 1.935367012454576
Energy: 1.953600950236267
Energy: 1.9732878481427123
Energy: 1.9754906869166833
Energy: 1.9731712877373575
Energy: 1.9721874985326544
Energy: 1.9295612106178888
Energy: 1.9697402155247745
Energy: 1.9765131651956123
Energy: 2.0467525689127943
Energy: 2.0522883547191166
Energy: 1.9442173534518263
Energy: 1.9753023919749622
Energy: 1.9673090248660272
Energy: 1.9440134878685555
Energy: 1.9387442300053193
Energy: 1.937967003048374
Energy: 1.9388281087283572
Energy: 1.948431959249453
Energy: 1.971933127770331
Energy: 1.9397521091064163
Energy: 2.045637247419396
Energy: 1.9650820537731646
Energy: 1.94365745082937
Energy: 1.9773633155396704
Energy: 1.9794383028156242
Energy: 1.9411745865309094
Energy: 2.0281766735251954
Energy: 1.978135770468278
Energy: 1.9508406880118163
Energy: 1.943035981534602
Energy: 2.240205504865162
Energy: 1.9397545897921395
Energy: 1.9611361720722833
Energy: 1.9626173952011021
Energy: 1.9388754546250828
Energy: 1.9456081032285504
Energy: 1.9842195994386471
Energy: 1.9529349044824185
Energy: 1.9392270690799773
Energy: 2.008236352672353
Energy: 1.937680578791301
Energy: 1.9747694797833553
Energy: 1.9154731809923955
Energy: 1.9571642431044571
Energy: 1.973602715197806
Energy: 1.9619174014570828
Energy: 1.9705501484831691
Energy: 1.9926194896176477

minimum gb energy = 1.891748316526159 eV
minimum distance =  2.41077609614025 Angstroms
sigma value = 33


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

Energy: 3.313084764305433
Energy: 2.0525580308066105
Energy: 2.098772663522404
Energy: 2.078657793181191
Energy: 2.09785642668541
Energy: 1.9889032384022383
Energy: 2.0949393692439666
Energy: 2.2266830238972233
Energy: 2.0790000992379065
Energy: 2.0832772646058646
Energy: 2.0779849195084816
Energy: 2.026091659921393
Energy: 2.070642053258234
Energy: 2.019330865747718
Energy: 2.2371227545070713
Energy: 2.0461784441235915
Energy: 2.01841394564151
Energy: 2.0265156213156805
Energy: 2.0235292241780427
Energy: 2.0185345693958388
Energy: 2.0201988808456823
Energy: 2.002390817476425
Energy: 2.0193145997246797
Energy: 2.00494709425962
Energy: 2.0632011285118934
Energy: 2.115383094951519
Energy: 2.2264787616574506
Energy: 2.215141788543409
Energy: 2.338839785339144
Energy: 2.025020994436114
Energy: 2.0947116629019673
Energy: 2.0208372245022708
Energy: 2.0133824373515177
Energy: 2.0798176497692538
Energy: 2.010762015526564
Energy: 2.018912537427987
Energy: 2.0932225458473854
Energy: 2.0208364838246693
Energy: 2.0992936613350355
Energy: 2.153244052565611
Energy: 2.0208984459846455
Energy: 2.019198527075761
Energy: 2.094678276470686
Energy: 2.3263495545232065
Energy: 2.0147268553523032
Energy: 2.251476728121981
Energy: 2.013569284461157
Energy: 2.324917988738054
Energy: 2.003901908551869
Energy: 2.110300464064118
Energy: 2.0223774915804205
Energy: 2.032163727942499
Energy: 2.01678002591425
Energy: 2.081415098064961
Energy: 2.084756157952677
Energy: 2.0170136406521557
Energy: 2.0187397187170806
Energy: 2.035552046650917
Energy: 2.016761172697128
Energy: 1.9767068631920677
Energy: 2.095430150264248
Energy: 2.325627197029209
Energy: 2.0300735710273314
Energy: 2.111843479312098
Energy: 2.1119898099821772
Energy: 2.083026111505255
Energy: 2.092952860147648
Energy: 2.0765795948163577
Energy: 2.1315100364373762
Energy: 2.0464250248168745
Energy: 2.075097439492319
Energy: 2.0769384447466863
Energy: 2.051211801519007
Energy: 2.07640593540048
Energy: 2.135901543915289
Energy: 2.0439251797466405
Energy: 2.075014356111605
Energy: 2.0698900284796538
Energy: 2.061785451309773
Energy: 2.389684449924258
Energy: 2.1161145328232243
Energy: 2.1683522552516674
Energy: 2.112522960343444
Energy: 2.0842434392407863
Energy: 2.0902698433390743
Energy: 1.99900231057688
Energy: 2.0013486270598295
Energy: 2.03404142265401
Energy: 1.995877584799272
Energy: 2.001996671181783
Energy: 2.050986041182092
Energy: 1.998761336235583
Energy: 2.017626952204472
Energy: 2.1134169863910235
Energy: 1.9975477904979453
Energy: 2.100202957315717
Energy: 2.233091378941435
Energy: 2.40606903118709
Energy: 1.9961485527188865
Energy: 2.07139657229948
Energy: 2.0006729027732195
Energy: 2.405901797376219
Energy: 2.0871690516246946
Energy: 2.0009698136990024
Energy: 2.079773007159544
Energy: 2.239051559199588
Energy: 2.0000647831878884
Energy: 2.0178872454420835
Energy: 2.086359861876092
Energy: 2.0003640459208736
Energy: 1.9987862571655994
Energy: 2.0368412259020734
Energy: 1.9993685287314544
Energy: 2.0019861757767377
Energy: 2.0639973208126206
Energy: 2.232131271248996
Energy: 2.116169516893524
Energy: 2.0279857367965803
Energy: 2.1165365204480255
Energy: 2.0819910426346695
Energy: 2.0472420032805703
Energy: 2.0744389035573985
Energy: 2.0469788407472
Energy: 1.979424038949644
Energy: 2.0754714217427077
Energy: 2.0478925169943865
Energy: 2.096349591438951
Energy: 2.074181120401116
Energy: 2.2253234605380086
Energy: 2.0096871427403156
Energy: 2.1771853646865322
Energy: 2.075272391855775
Energy: 2.0943558814756256
Energy: 2.236694231203678
Energy: 2.0215598895951095
Energy: 2.1007144993414357
Energy: 2.019901989624216
Energy: 2.2231492691906567
Energy: 3.066313332515684
Energy: 2.01884284538507
Energy: 2.0362921224541064
Energy: 2.0288073095674877
Energy: 2.0249942153300315
Energy: 2.0113282506309527
Energy: 2.1863582855739074
Energy: 2.1877283371782257
Energy: 2.0230212965368115
Energy: 2.0153651319905257
Energy: 2.020386911784432
Energy: 2.2232439769531585
Energy: 2.1109880253073117
Energy: 2.0143944662394335
Energy: 2.0156246061032013
Energy: 2.096779361639097
Energy: 2.0163528415905074
Energy: 2.2356649897969008
Energy: 2.400833352260913
Energy: 2.015055846556796
Energy: 2.021668084802606
Energy: 2.1004214280569777
Energy: 2.0167735225943484
Energy: 2.0978987886144593
Energy: 2.0959513010118096
Energy: 2.0116103651568245
Energy: 2.3264098198816443
Energy: 2.0816470772675975
Energy: 2.0161067087087146
Energy: 2.0151723531981696
Energy: 2.052679260260911
Energy: 2.022457419949107
Energy: 2.2509910163017732
Energy: 2.0024649405566772
Energy: 2.109784887748409
Energy: 2.024092516201739
Energy: 2.0277201867981427
Energy: 2.035979691268852
Energy: 1.976750820503361
Energy: 2.0196545086823914
Energy: 2.020710770630636
Energy: 2.0287763040753655
Energy: 2.1624129139308583
Energy: 2.0201488457798122
Energy: 2.2327752434556647
Energy: 2.093231996825935
Energy: 2.110122861944269
Energy: 2.019945333223727
Energy: 2.021989882120993
Energy: 2.270914873837918
Energy: 2.0769687540654913
Energy: 2.080041708193214
Energy: 2.077500880554851
Energy: 2.23468439668865
Energy: 2.16593619298018
Energy: 2.0787829419115327
Energy: 2.0767361200446803
Energy: 2.047642286980372
Energy: 2.074049505447651
Energy: 2.0169674082530946
Energy: 2.162263666204686
Energy: 2.1152122743046853
Energy: 2.0780389610053454
Energy: 2.0799797636590958
Energy: 2.3259988861434886
Energy: 2.0358179279915976
Energy: 2.0689530995362517
Energy: 1.9970464758575501
Energy: 2.0011720625113916
Energy: 2.096287555524903
Energy: 2.001922591692635
Energy: 1.9959231517452487
Energy: 2.229642703914452
Energy: 2.0185925357782266
Energy: 1.9991679486605145
Energy: 2.053965682573464
Energy: 2.0004606235235585
Energy: 2.111369674029141
Energy: 2.223165865664861
Energy: 2.241369424888759
Energy: 2.409952877737148
Energy: 2.3973268361025983
Energy: 2.4058156065734284
Energy: 2.035705879036505
Energy: 2.2275598212067433
Energy: 1.997763527078219
Energy: 1.9999384041284376
Energy: 2.086520780672157
Energy: 2.00024404958458
Energy: 2.0770157951144013
Energy: 2.091635540017427
Energy: 1.9957380814479249
Energy: 2.0017357967496143
Energy: 2.0175503268564436
Energy: 2.00068927024832
Energy: 1.9973022357895494
Energy: 2.12679820358904
Energy: 2.1141508000552807
Energy: 2.239716168893022
Energy: 2.049525286120201
Energy: 2.235267153895934
Energy: 2.1162743695617294
Energy: 1.9999195179787703
Energy: 2.078661936061134
Energy: 2.0718416716901435
Energy: 2.0507197895544422
Energy: 2.0732517573653877
Energy: 1.9779421187807917

minimum gb energy = 1.9767068631920677 eV
minimum distance =  2.40876049087256 Angstroms
sigma value = 51


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

Energy: 3.0652233214573426
Energy: 2.010677989335494
Energy: 2.1103949276922536
Energy: 2.140832927170756
Energy: 2.110221775473657
Energy: 2.00979599316813
Energy: 2.0602222111438593
Energy: 1.9958526141908757
Energy: 2.0440597809250813
Energy: 2.0474867737987563
Energy: 2.205377137262991
Energy: 2.196843016159686
Energy: 2.1109984689987544
Energy: 2.0413044657078676
Energy: 1.9953493222644436
Energy: 2.1973002025290915
Energy: 2.0424857430781023
Energy: 2.048767695368886
Energy: 2.094044687080911
Energy: 2.0418154971561147
Energy: 2.0420817797502426
Energy: 2.104533365266146
Energy: 2.041307969294599
Energy: 2.051386665413275
Energy: 2.0936198106655137
Energy: 2.064139800533253
Energy: 2.1966436901786395
Energy: 2.2060552566675398
Energy: 2.0521389498322598
Energy: 2.0640984549334815
Energy: 2.253839208306602
Energy: 1.98074767221555
Energy: 2.2066197705091626
Energy: 2.208847931234243
Energy: 1.9833916547648944
Energy: 1.981427211508808
Energy: 2.250692650593892
Energy: 2.0112232742969463
Energy: 1.981996165541564
Energy: 2.098347921505893
Energy: 1.980433505880881
Energy: 1.9811194299611914
Energy: 2.086875009054351
Energy: 2.207907998860704
Energy: 2.2098418335578818
Energy: 2.333677202021872
Energy: 1.9825727883099578
Energy: 2.208556747347986
Energy: 2.0612397129130207
Energy: 2.2049363307034926
Energy: 2.0473909535764108
Energy: 2.094468346673049
Energy: 2.0423399784827128
Energy: 1.9624296834704422
Energy: 2.0753576405331047
Energy: 2.0435771213658884
Energy: 2.045314839294019
Energy: 2.1132815413683605
Energy: 2.042056832584267
Energy: 1.9608305999620526
Energy: 2.1256263989642945
Energy: 2.1953322427261313
Energy: 2.20490289688666
Energy: 2.0437564487865925
Energy: 2.2049088954161533
Energy: 2.066097525013262
Energy: 2.104962680298998
Energy: 2.040474888700763
Energy: 2.043353174173812
Energy: 2.1019529926973166
Energy: 2.04113121665812
Energy: 2.042205181945884
Energy: 2.081666133930103
Energy: 2.0411454647488796
Energy: 2.205422505511462
Energy: 2.1817864833632616
Energy: 2.041180132937758
Energy: 2.0445942874541645
Energy: 2.1097643975236324
Energy: 1.9939561632541387
Energy: 2.205264616778083
Energy: 2.2063160090835874
Energy: 2.204547364145595
Energy: 2.198358844589376
Energy: 2.2687095943616855
Energy: 1.9806595684219817
Energy: 1.9801485708337334
Energy: 2.134115968576519
Energy: 1.981895298643367
Energy: 1.9804878145242077
Energy: 2.198208287070564
Energy: 1.9806601579327692
Energy: 1.979867739182456
Energy: 2.1090195947747143
Energy: 1.9829588618400937
Energy: 1.981257634705275
Energy: 2.1230593891831107
Energy: 2.2002844892929025
Energy: 2.1976411353567538
Energy: 2.126840611953677
Energy: 2.19824454274053
Energy: 2.200780767626175
Energy: 2.0594819488680347
Energy: 2.0431847533354657
Energy: 2.0440406532507236
Energy: 2.0914487851345296
Energy: 2.041414006109704
Energy: 1.9601521080791275

minimum gb energy = 1.9601521080791275 eV
minimum distance =  2.41112951812429 Angstroms
sigma value = 19


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

Energy: 2.8566839277060443
Energy: 2.12234273954249
Energy: 2.117032164325389
Energy: 2.2528642795848004
Energy: 2.236411309411008
Energy: 2.1255558880927
Energy: 2.285715507639224
Energy: 2.2403712832505125
Energy: 2.1179652340797563
Energy: 2.120877135375069
Energy: 2.206558424781101
Energy: 2.2061100765088586
Energy: 2.1744131612420485
Energy: 2.092868261600189
Energy: 2.242276041116784
Energy: 2.187642912944408
Energy: 2.092834064336245
Energy: 2.0930016971476952
Energy: 2.20255362387653
Energy: 2.095697959096703
Energy: 2.0932382577327906
Energy: 2.3955443420327107
Energy: 2.0922843093974914
Energy: 2.1493667567841737
Energy: 2.2264565102988523
Energy: 2.121351980697875
Energy: 2.3196718653138544
Energy: 2.2239159749896404
Energy: 2.256210769549509
Energy: 2.117735025110306
Energy: 2.2090318677776337
Energy: 2.122467188469576
Energy: 2.2351266681954405
Energy: 2.1182787122845137
Energy: 2.242252556390263
Energy: 2.1250459820601315
Energy: 2.2002867254009457
Energy: 2.117740028750994
Energy: 2.0898872574347713
Energy: 2.3642052747480697
Energy: 2.121515609958992
Energy: 2.1443655436549856
Energy: 2.279031574512983
Energy: 2.0929920350188396
Energy: 2.255072134890462
Energy: 2.2768072291344623
Energy: 2.2425126064262524
Energy: 2.0937967945444442
Energy: 2.1429215922799454
Energy: 2.117941482067021
Energy: 2.1163417478730207
Energy: 2.119234512517921
Energy: 2.1173406245419346
Energy: 2.243793002757261
Energy: 2.142451066264346
Energy: 2.1186719942641856
Energy: 2.1171981085757223
Energy: 2.123703156748052
Energy: 2.1174297951442247
Energy: 2.089875835878502
Energy: 2.1278945795972413
Energy: 2.2119362358799783
Energy: 2.1191843655765092
Energy: 2.12458824083872
Energy: 2.320499004003552
Energy: 2.1984014310520967
Energy: 2.2810246246603088
Energy: 2.0777818606563994
Energy: 2.0792171793612875
Energy: 2.136258173290707
Energy: 2.080094026052531
Energy: 2.201099320372823
Energy: 2.274834740848845
Energy: 2.156122743400583
Energy: 2.0935401040545254
Energy: 2.1440787163742727
Energy: 2.0977023317225205
Energy: 2.152830979867065
Energy: 2.1287698436027434
Energy: 2.135426992628209
Energy: 2.1983847540983126
Energy: 2.2015230188593
Energy: 2.2011742415178235
Energy: 2.2743585706622236
Energy: 2.1168540022893
Energy: 2.11631735148455
Energy: 2.1133374150680293
Energy: 2.098285672962636
Energy: 2.207132908713432
Energy: 2.118355796302518
Energy: 2.148969231682701
Energy: 2.116738546294579
Energy: 2.0959378199980807
Energy: 2.3533559652631166
Energy: 2.118739485151753
Energy: 2.117406236948696
Energy: 2.275674340899961
Energy: 2.2218363246321724
Energy: 2.0921779373102414
Energy: 2.156844816972989
Energy: 2.2417567938071565
Energy: 2.118717585286272
Energy: 2.2733649873265755
Energy: 2.0924616916264007
Energy: 2.0944176482308556
Energy: 2.0952252171103973
Energy: 2.093715625786025
Energy: 2.0915960427864038
Energy: 2.268484540340255
Energy: 2.0922404842882476
Energy: 2.0945041854655444
Energy: 2.2028740882766322
Energy: 2.0939398337720236
Energy: 2.24213379396824
Energy: 2.131566318084143
Energy: 2.3186933293499563
Energy: 2.1163412488641202
Energy: 2.228432528866239
Energy: 2.206345606959364
Energy: 2.3244782034458367
Energy: 2.1840215708488437
Energy: 2.093553429725191
Energy: 2.1234246758619113
Energy: 2.202016463017357
Energy: 2.094432285574821
Energy: 2.255399541703757
Energy: 2.1835904665380026
Energy: 2.092472522811649
Energy: 2.09495477535536
Energy: 2.145365090493646
Energy: 2.0937271811044518
Energy: 2.067151893417117
Energy: 2.2773145380022703
Energy: 2.323817086090356
Energy: 2.0932937306179844
Energy: 2.3047561754247816
Energy: 2.2411622142659855
Energy: 2.119006576686431
Energy: 2.1500686866764873
Energy: 2.1170998730950172
Energy: 2.089707422655681
Energy: 2.232365919792065
Energy: 2.118997721361696
Energy: 2.1164475957443787
Energy: 2.1211779828653903
Energy: 2.116263413169446
Energy: 2.1172083980443968
Energy: 2.112069224675184
Energy: 2.118069614531925
Energy: 2.1169207541947914
Energy: 2.1159676610260374
Energy: 2.237042107492138
Energy: 2.1982949853643086
Energy: 2.1188714845217484
Energy: 2.197207978037644
Energy: 2.3162197133574876
Energy: 2.577300136625597
Energy: 2.0789782967338932
Energy: 2.0798886176544573
Energy: 2.145598319495006
Energy: 2.0795078620156664
Energy: 2.264559709635459
Energy: 2.281112618291253
Energy: 2.0771999913216392
Energy: 2.1335982422877495
Energy: 2.293219765445293
Energy: 2.0789609765979913
Energy: 2.0774986208823862
Energy: 2.126815864928239
Energy: 2.198712704068538
Energy: 2.211528062302628
Energy: 2.1291335965761204
Energy: 2.2544512117026994
Energy: 2.198026641248993
Energy: 2.1812337672628916
Energy: 2.118053212456979
Energy: 2.117020605726842
Energy: 2.117796493358472
Energy: 2.1165792997357804
Energy: 2.0970119211717138

minimum gb energy = 2.067151893417117 eV
minimum distance =  2.38091531670538 Angstroms
sigma value = 27


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

Energy: 2.3078780171905393
Energy: 1.9529852922225974
Energy: 2.1520091308823037
Energy: 1.995011755064224
Energy: 2.149456632298113
Energy: 1.9557026450787958
Energy: 2.1868373341868548
Energy: 1.957712639128037
Energy: 1.9959420820134712
Energy: 1.9295291530340763
Energy: 1.9572696230799886
Energy: 1.995561867041293
Energy: 2.0899072314449523
Energy: 1.997281280956886
Energy: 1.9938906175786757
Energy: 1.9307644102134094
Energy: 1.993452111650778
Energy: 1.9950978057060813
Energy: 2.098788096787907
Energy: 2.0003673079413304
Energy: 1.995388610303335
Energy: 1.9983829944318934
Energy: 1.9954884178003462
Energy: 1.9951317655532022
Energy: 1.9286255600890811
Energy: 1.9961673480386533
Energy: 1.955446626432679
Energy: 1.9327142755000322
Energy: 1.9580049646617546
Energy: 2.0010956302247904
Energy: 2.1246695039921137
Energy: 1.999133414236946
Energy: 1.9575667167701207
Energy: 1.995645598663769
Energy: 1.960745096745539
Energy: 1.9974410266991365
Energy: 2.304547600172394
Energy: 2.1570035381669963
Energy: 1.9547169546284693
Energy: 2.3098249329802343
Energy: 2.1501662433932895
Energy: 2.150686952054532
Energy: 1.9286521963353638
Energy: 1.9990408871430454
Energy: 1.958164356114534
Energy: 1.929692788730688
Energy: 1.9616320344773566
Energy: 1.9939090202975152
Energy: 1.929893861095686
Energy: 1.993414445281777
Energy: 1.993225554912178
Energy: 1.9326633139140443
Energy: 1.9922174371322119
Energy: 1.9946032318021998
Energy: 2.1256051486264465
Energy: 1.9953056179259625
Energy: 1.9958100465996536
Energy: 1.9960757101469833
Energy: 1.9947065339271237
Energy: 1.995380905496239
Energy: 1.933162861153421
Energy: 1.9552051881900814
Energy: 2.0026040384235957
Energy: 1.9303668006800074
Energy: 1.9959826963422456
Energy: 1.955213914931597
Energy: 2.186837277813023
Energy: 1.957007053244403
Energy: 1.9952719150166487
Energy: 2.1255775844829583
Energy: 1.9592063068737662
Energy: 1.9579709689459355

minimum gb energy = 1.9286255600890811 eV
minimum distance =  2.44248585084392 Angstroms
sigma value = 9


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

Energy: 3.4678795014490786
Energy: 2.1286412331243554
Energy: 2.209147167521823
Energy: 2.1671248109880463
Energy: 2.209670723190906
Energy: 2.137431311792335
Energy: 2.064700024447899
Energy: 2.194967424698519
Energy: 2.0393548110830215
Energy: 2.10383819225304
Energy: 2.040448600649077
Energy: 2.1412098125165984
Energy: 2.177364811433569
Energy: 2.1351103375996097
Energy: 2.1700707712807805
Energy: 2.1022148802033858
Energy: 2.140583553647546
Energy: 2.169541930381606
Energy: 2.3364204462590243
Energy: 2.1360077898583554
Energy: 2.1353678819576354
Energy: 2.4601447474411673
Energy: 2.1366768858994774
Energy: 2.1664024943757743
Energy: 2.102088881405258
Energy: 2.1761437238453922
Energy: 2.135900605729679
Energy: 2.1501940489007825
Energy: 2.1378153834411355
Energy: 2.167568440052769
Energy: 2.1046885302435347
Energy: 2.0412077392666155
Energy: 2.2305790127022966
Energy: 2.1508670884996377
Energy: 2.281028795227585
Energy: 2.0460104761494864
Energy: 1.995161682958897
Energy: 2.0685411229696817
Energy: 2.137453348131272
Energy: 2.3937974631007197
Energy: 2.0375028000869193
Energy: 2.047111892597196
Energy: 2.0009935693055345
Energy: 2.035752650836939
Energy: 2.2304041122591154
Energy: 2.1502561070056347
Energy: 2.28139906552052
Energy: 2.03927179777021
Energy: 1.9905637564048675
Energy: 2.1168501872332315
Energy: 2.1927487882771777
Energy: 2.1506664480613913
Energy: 2.206406180798315
Energy: 2.1579937412263366
Energy: 2.2313733374600835
Energy: 2.1526095125327607
Energy: 2.1168303125833203
Energy: 2.6161523472284522
Energy: 2.1165102074135147
Energy: 2.1488921330346638
Energy: 2.0686235333161522
Energy: 2.133470493402829
Energy: 2.116146123203895
Energy: 2.230121941433255
Energy: 2.116672875027419
Energy: 2.171135097320424
Energy: 2.0684257738209957
Energy: 2.2551362276108944
Energy: 2.1031671394057563
Energy: 2.152004123060374
Energy: 2.1004922855618386
Energy: 2.1904876694424242
Energy: 3.161769422218424
Energy: 2.0987896073342283
Energy: 2.10149017005806
Energy: 2.0629186279835667
Energy: 2.1020787027715917
Energy: 2.179768582076945
Energy: 2.067615637591262
Energy: 2.197676356723396
Energy: 2.102859670501383
Energy: 2.069748814396902
Energy: 2.0999661990838945
Energy: 2.2531896629654677
Energy: 2.0692827895342725
Energy: 2.2526607315427496
Energy: 2.101035754210054
Energy: 2.0719348755892666
Energy: 2.195385403359368
Energy: 2.2674476796703806
Energy: 2.849461826045594
Energy: 2.099299881319956
Energy: 2.10440872525269
Energy: 2.06904037988582
Energy: 2.1069886191689435
Energy: 2.098340206307771
Energy: 2.0693697139671885
Energy: 2.101693520886303
Energy: 2.099658212267909
Energy: 2.1497599082216547
Energy: 2.1014766902998967
Energy: 2.099652186870574
Energy: 2.0666094029950597
Energy: 2.119807907996571
Energy: 2.303263893559072
Energy: 2.1500891559446287
Energy: 2.1171339205969106
Energy: 2.1350457952372244
Energy: 2.151744764528378
Energy: 2.161102283014065
Energy: 2.120777379007404
Energy: 2.466731255635735
Energy: 2.1188854717603793
Energy: 2.1555759153350893
Energy: 2.2324715568000917
Energy: 2.1225968749208683
Energy: 2.1920186610846306
Energy: 2.1520308069844445
Energy: 2.116914977507575
Energy: 2.1792324693028866
Energy: 1.9978362352346744
Energy: 2.1656843424970416
Energy: 2.197036562332008
Energy: 2.1503095820850935
Energy: 2.200407291317992
Energy: 1.9897864644676129
Energy: 1.993000501405677
Energy: 2.0382944439119406
Energy: 2.0947341373651347
Energy: 2.1059930638287865
Energy: 2.0394042008508135
Energy: 1.9901225841772352
Energy: 2.1009651012542245
Energy: 2.0396100253461
Energy: 2.167246676864895
Energy: 2.0648217914338174
Energy: 2.0384344602331317
Energy: 2.043394268113345
Energy: 2.1031248616961085
Energy: 2.1370878810560545
Energy: 2.1532620336086854
Energy: 2.1500578145366824
Energy: 2.138053819564514
Energy: 2.0438396365936824
Energy: 2.6036194388209783
Energy: 2.1841467646987924
Energy: 2.168046398147433
Energy: 2.3021445686744717
Energy: 2.1368553437298328
Energy: 2.2223781080979945
Energy: 2.1515850646446815
Energy: 2.1367362382194153
Energy: 2.175350473420761
Energy: 2.330020286138491
Energy: 2.1377125695107613
Energy: 2.1672856613859315
Energy: 2.1496806704314317
Energy: 2.135451804088505
Energy: 2.0379695573844727
Energy: 2.1012997872006225
Energy: 2.2658425198472654
Energy: 2.2598881305104723
Energy: 2.520168524241294
Energy: 2.046711118277171
Energy: 2.0446289407748837
Energy: 2.126255534928271
Energy: 2.0419556735515028
Energy: 2.101748820758586
Energy: 2.064680871862608
Energy: 2.04086410547572
Energy: 2.0508626840857027
Energy: 1.9888021838514036
Energy: 2.039901996709703
Energy: 2.100710263376027
Energy: 2.1505617085540965
Energy: 2.203911772080209
Energy: 2.2813665782757417
Energy: 1.9955962947143295
Energy: 2.2362773545474877
Energy: 2.2035525389807282
Energy: 2.2337408663724734
Energy: 2.115732594356113
Energy: 2.145722697420638
Energy: 2.2327827948927514
Energy: 2.115627247371649
Energy: 2.199921943136901
Energy: 2.866586813625865
Energy: 2.1195548713994117
Energy: 2.1684992636748897
Energy: 2.0678219463565304
Energy: 2.132558499600213
Energy: 2.127278141023049
Energy: 2.151618771715121
Energy: 2.101786851279986
Energy: 2.1887715174425457
Energy: 2.069544720416827
Energy: 2.223566921673272
Energy: 2.099473405379119
Energy: 2.156605394713358
Energy: 2.1029858468974667
Energy: 2.102879684596791
Energy: 2.119603762447396
Energy: 2.1025633128725714
Energy: 2.102146057098358
Energy: 2.0684684186341102
Energy: 2.1015194245799287
Energy: 2.1012195622319703
Energy: 2.175651715519994
Energy: 2.100909095781176
Energy: 2.0715907078267723
Energy: 2.063264931717548
Energy: 2.2617237897427143
Energy: 2.252573032546979
Energy: 2.0674880998508285
Energy: 2.2569171856969437
Energy: 2.0708141898060957
Energy: 2.060620341228612
Energy: 2.1016603627697683
Energy: 2.197761288559251
Energy: 2.0672173349561738
Energy: 2.100133768531921
Energy: 2.1203296763323234
Energy: 2.148933613078948
Energy: 2.10127439290669
Energy: 2.098560905200549
Energy: 2.609683384276128
Energy: 2.0991240743719795
Energy: 2.10314031531067
Energy: 2.1552442223048836
Energy: 2.1008301271547025
Energy: 2.18790687690531
Energy: 2.0688858319344634
Energy: 2.1164289252176474
Energy: 2.1061756518932624
Energy: 2.590462667622115
Energy: 2.1171803399879328
Energy: 2.1693885298730033
Energy: 2.066559193397597
Energy: 2.1326157863522415
Energy: 2.117240027861127
Energy: 2.174524115655531
Energy: 2.1183520645230756
Energy: 2.1215095632923298
Energy: 2.229376841924893
Energy: 2.1170720071508518
Energy: 2.1161122126320855
Energy: 2.1518692957072636
Energy: 2.195602568135811
Energy: 2.158117997771051
Energy: 2.0130724836208462
Energy: 2.20109396782818
Energy: 2.1976360431492865
Energy: 2.074247203559146
Energy: 2.164222254718638
Energy: 2.041619631152497
Energy: 1.9897854376637047
Energy: 2.039606448841442
Energy: 2.323441783669439

minimum gb energy = 1.9888021838514036 eV
minimum distance =  2.41199370402217 Angstroms
sigma value = 57


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

Energy: 3.286517319218521
Energy: 2.077460130926814
Energy: 2.0921439241639637
Energy: 1.716335252958694
Energy: 2.0860516737209567
Energy: 2.0771015420502597
Energy: 2.3794681690854915
Energy: 2.060992111079805
Energy: 1.7107518254928258
Energy: 2.0564502169046777
Energy: 1.9023033399724418
Energy: 1.9024732883377289
Energy: 2.4249603548410747
Energy: 2.057285841984545
Energy: 2.0455185863042407
Energy: 2.053461007781373
Energy: 2.058320350467418
Energy: 1.9498040850301863
Energy: 2.0116658195341888
Energy: 2.048170993294715
Energy: 2.0469434478008237
Energy: 2.050597419481948
Energy: 2.0478562097721036
Energy: 2.111712715862594
Energy: 1.9972437471833504
Energy: 2.0449976929378524
Energy: 2.0447701358689567
Energy: 2.051589821672397
Energy: 2.0486548541672285
Energy: 2.048528526853728
Energy: 1.7104141136591469
Energy: 1.9090772505511413
Energy: 2.055760415767748
Energy: 2.0548992944138473
Energy: 1.9028996279432016
Energy: 1.9016571545556356
Energy: 1.773648977578097
Energy: 1.9402505882265757
Energy: 1.937593138312702
Energy: 2.632606292430744
Energy: 1.9369832637833542
Energy: 1.942349014537379
Energy: 1.8574652326087873
Energy: 1.9016286333140304
Energy: 2.059766281906123
Energy: 2.051881265552999
Energy: 1.9030009910601602
Energy: 1.904238983880451
Energy: 1.8579503853517236
Energy: 2.0846314445718783
Energy: 2.060174129894566
Energy: 2.0515044524776838
Energy: 2.059404859405992
Energy: 1.9074209011180594
Energy: 1.8699586112109963
Energy: 1.902603886865595
Energy: 2.0255323798129976
Energy: 2.0261080893673955
Energy: 1.9031953403205017
Energy: 1.9058346670521433
Energy: 2.0478772756913077
Energy: 1.7116231019542143
Energy: 1.9041819649196465
Energy: 2.37981945284155
Energy: 1.9028667315213394
Energy: 1.711688767556147
Energy: 2.0505740079092285
Energy: 2.0551750524703385
Energy: 1.9474583767139162
Energy: 2.0554269983097337
Energy: 2.0560966014920843
Energy: 1.9027959071542302
Energy: 2.6509552851316402
Energy: 2.0449332374466787
Energy: 2.105457409388669
Energy: 1.903909887734593
Energy: 2.0560773818465026
Energy: 2.0465519414086177
Energy: 2.0509613804494737
Energy: 2.0532884369019127
Energy: 2.044687916520888
Energy: 2.0026361592327633
Energy: 2.05623997252223
Energy: 2.0533002726227982
Energy: 1.711378632280953
Energy: 2.054416003715092
Energy: 1.9017105181019036
Energy: 2.051369605613692
Energy: 1.9044279214032407
Energy: 2.046627250846451
Energy: 2.269372020380971
Energy: 1.9031741647743654
Energy: 1.9406827951775978
Energy: 1.7114500266803174
Energy: 1.9354995430206838
Energy: 2.0978339764006986
Energy: 2.272704215713158
Energy: 1.9027553370685197
Energy: 1.9056147558982
Energy: 1.8723110191611922
Energy: 1.9011534148462814
Energy: 1.9038684809349917
Energy: 1.7122201732208426
Energy: 2.077401594041453
Energy: 1.9032957959565517
Energy: 1.7716003871727675
Energy: 2.060282782887146
Energy: 2.045557004402935
Energy: 2.3814770848234783
Energy: 1.9030000943621688
Energy: 1.904409076614592
Energy: 1.8564662183149458
Energy: 1.902825578289411
Energy: 2.0513091834629433

minimum gb energy = 1.7104141136591469 eV
minimum distance =  2.40280193174176 Angstroms
sigma value = 11


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

Energy: 2.661869426445649
Energy: 1.960919958167127
Energy: 1.774471337386695
Energy: 1.7780819068585931
Energy: 1.943111397343941
Energy: 1.9434461969915895
Energy: 2.0879510022943175
Energy: 1.9234866080936057
Energy: 1.84266027755093
Energy: 1.8454154231400517
Energy: 1.7760056156511805
Energy: 1.9960640143008606
Energy: 2.0927597902807378
Energy: 1.9441279180319833
Energy: 1.956022175283838
Energy: 1.847080511690144
Energy: 1.9491012923357607
Energy: 1.9967970679265497
Energy: 2.0927576964782073
Energy: 1.9598357082758964
Energy: 2.0164079137865047
Energy: 1.996865363451324
Energy: 1.9585325405309564
Energy: 1.9937746535902043
Energy: 2.0986861405354116
Energy: 1.9581204066676945
Energy: 1.9579287621830161
Energy: 2.0932366992902547
Energy: 1.954479334728253
Energy: 2.1386772526196185
Energy: 2.08925893874465
Energy: 1.9457552275691201
Energy: 1.9279210090202281
Energy: 2.080007576286504
Energy: 1.958828370248256
Energy: 2.078700398455128
Energy: 1.8426663634016156
Energy: 1.950554617964933
Energy: 1.9589831797657686
Energy: 1.996478767114014
Energy: 1.9641089364751478
Energy: 1.8355413975313408
Energy: 1.7699522103190308
Energy: 1.9448795405860484
Energy: 1.9474265214670354
Energy: 2.080896602395155
Energy: 1.9461759334350395
Energy: 1.9671143140343532
Energy: 1.865825476974588
Energy: 1.7533270526933484
Energy: 1.9594257826272339
Energy: 2.0060651696912353
Energy: 1.9572941306042466
Energy: 1.7708718917999413
Energy: 1.5940467641531868
Energy: 1.7564187135205303
Energy: 1.7537698579451992
Energy: 2.021596664507633
Energy: 1.7530012516103874
Energy: 1.5927313736459683
Energy: 1.687031126620396
Energy: 1.7533117139427639
Energy: 1.754982494949684
Energy: 2.0017263885547645
Energy: 1.7506645325611978
Energy: 1.7722166620165076
Energy: 1.6235835331625093
Energy: 1.7548462200674246
Energy: 1.9648622043157657
Energy: 1.9920805591505168
Energy: 1.9250085761249958
Energy: 1.6297779145601488
Energy: 1.683235963916376
Energy: 1.7602539814438114
Energy: 1.9361102696266743
Energy: 1.989321631662876
Energy: 1.7584141731515144
Energy: 1.7322368335103788
Energy: 1.5903373899421185
Energy: 1.5919050431843902
Energy: 1.8836822495323615
Energy: 2.1302526297436906
Energy: 1.7546469179487643
Energy: 1.5912370760274785
Energy: 1.8458454698958073
Energy: 1.7669788449352808
Energy: 1.9947652740585955
Energy: 1.9593737165890033
Energy: 1.9418616025169844
Energy: 1.8420528084396015
Energy: 2.002768021748243
Energy: 1.9511765032466817
Energy: 1.9463367929321143
Energy: 2.083942282625623
Energy: 1.9465752661904063
Energy: 1.9785826812742866
Energy: 1.8451656929492117
Energy: 1.9616836206682462
Energy: 1.9903402349604324
Energy: 2.00128848131265
Energy: 1.9607402220994776
Energy: 2.028497862177605
Energy: 2.09050687086912
Energy: 1.9602466207922187
Energy: 1.948619211261645
Energy: 2.092521176126482
Energy: 1.951682464825795
Energy: 2.0854767002117285
Energy: 2.0968433144239826
Energy: 1.9473063783009934
Energy: 2.082591694833107
Energy: 2.0927066800406164
Energy: 1.9458234590278454
Energy: 1.9510764895510255
Energy: 2.0121409831906054
Energy: 1.9630169806283844
Energy: 1.9473592222963747
Energy: 1.8439294529463173
Energy: 1.9566264289701176
Energy: 1.9592290851809597
Energy: 2.0969339049423836
Energy: 1.9450105696026985
Energy: 1.9656327929922532
Energy: 1.7778236998165804
Energy: 1.9483597968106727
Energy: 1.9470521851026976
Energy: 2.094471444874897
Energy: 1.9584298894725782
Energy: 1.7566218531295401
Energy: 1.8469000080380726
Energy: 1.7912759291644003
Energy: 1.958567274960279
Energy: 2.094086991998231
Energy: 1.7529093009488044
Energy: 1.8328761615464755
Energy: 1.5905212000319038
Energy: 1.8269937192462176
Energy: 1.9628093340017125
Energy: 2.4638238599788655
Energy: 1.750826951695073
Energy: 1.7784047748865504
Energy: 1.693551924051233
Energy: 1.7571784153822825
Energy: 1.9225132473123625
Energy: 2.4767387586495855
Energy: 1.9208139189595832
Energy: 1.63293906404364
Energy: 1.6263524684955906
Energy: 1.9245567330284352
Energy: 1.9926297691035533
Energy: 2.0873783220668396
Energy: 1.7562982967980243
Energy: 1.7689791936748172
Energy: 1.6885952477468207
Energy: 1.749964558723067
Energy: 1.8880559383554123

minimum gb energy = 1.5903373899421185 eV
minimum distance =  2.38299107432557 Angstroms
sigma value = 41


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

Energy: 3.039248348875813
Energy: 1.4791287303828964
Energy: 1.6554454562812106
Energy: 1.6553670720946219
Energy: 1.5063475313268817
Energy: 1.9680035456204326
Energy: 2.453196733638188
Energy: 1.7832811927982883
Energy: 1.66815706881133
Energy: 1.6692073447466924
Energy: 1.6157047362773511
Energy: 1.904721851415213
Energy: 2.465046445231935
Energy: 1.9051344764577187
Energy: 1.8450025606559783
Energy: 1.8042378631271287
Energy: 1.7958246270030271
Energy: 1.9052768790182486
Energy: 2.5047853350832834
Energy: 1.7960534340733234
Energy: 1.845475856626154
Energy: 1.670934933485342
Energy: 1.7935793098875716
Energy: 1.8417469778341597
Energy: 2.454690111556333
Energy: 1.794703729924523
Energy: 1.9286617480006067
Energy: 1.8940064463322057
Energy: 1.7966239985240946
Energy: 1.841827411900545
Energy: 2.4630278275963566
Energy: 1.865833375367875
Energy: 1.8551284559342232
Energy: 1.8927569552121273
Energy: 1.9521588602013251
Energy: 1.863489080366775
Energy: 2.1673817299617526
Energy: 1.8755496936924114
Energy: 1.8645466829881434
Energy: 1.8625653912238493
Energy: 1.8646662265172036
Energy: 1.8650754968111003
Energy: 1.8679458790009176
Energy: 1.894883739116917
Energy: 1.87529208559515
Energy: 1.7941636904145573
Energy: 1.877834581717377
Energy: 1.8415906014842427
Energy: 2.1706339509171224
Energy: 1.9510035319449037
Energy: 1.8954339480084297
Energy: 1.8638557340208977
Energy: 1.9014192411186022
Energy: 1.7952445842465634
Energy: 1.871065609730718
Energy: 1.723024966750237
Energy: 1.7949360702781807
Energy: 1.9625153177158527
Energy: 1.7950441684112002
Energy: 1.7208745279241926
Energy: 1.7930234343399198
Energy: 1.801634430833233
Energy: 1.7957338503866558
Energy: 1.8909234058372253
Energy: 1.7946323499869126
Energy: 1.7574946252814694
Energy: 1.66985217640002
Energy: 1.8021870735642247
Energy: 1.9061787123268312
Energy: 1.864390860519081
Energy: 1.795120512360448
Energy: 1.7383270142524552
Energy: 1.6659318876263565
Energy: 1.6185670202019502
Energy: 1.6126131926182297
Energy: 1.8638237324900313
Energy: 1.6113835557877614
Energy: 1.6678232746582002
Energy: 1.5035621041785532
Energy: 1.6175252675348155
Energy: 1.7951243239627646
Energy: 1.7924868756598014
Energy: 1.6167852919635186
Energy: 1.5072460802808931
Energy: 1.533565908862268
Energy: 1.6260095198549738
Energy: 1.7945087435724083
Energy: 1.8629078478986945
Energy: 1.7706375188507577
Energy: 1.6109650304177412
Energy: 1.5319114361676331
Energy: 1.6127433940862148
Energy: 1.793559503408324
Energy: 1.864143389634946
Energy: 1.78047256170062
Energy: 1.531868522496444
Energy: 1.5041928655774544
Energy: 1.5304855846576217
Energy: 1.7341311817592302
Energy: 1.9226937050959696
Energy: 1.6132231598785192
Energy: 1.5060139825884091
Energy: 1.6661483827358003
Energy: 1.6688160764738853
Energy: 1.6128611813583476
Energy: 1.8432582599075367
Energy: 1.6139681822121519
Energy: 1.667482465986165
Energy: 1.667071380319066
Energy: 1.7957356844279313
Energy: 1.904856306244593
Energy: 1.8433837669439446
Energy: 1.7971812731724754
Energy: 1.7464849873475818
Energy: 1.7929475564636541
Energy: 1.7940084661288882
Energy: 1.7946856883122921
Energy: 1.8389840042352619
Energy: 1.7963942024760502
Energy: 1.8418314972894407
Energy: 1.6668720940065178
Energy: 1.844382612704844
Energy: 1.8435498227306002
Energy: 1.8441740637370718
Energy: 1.7952114705398494
Energy: 1.7203517567872484
Energy: 2.1664205724312566
Energy: 1.8518545766416812
Energy: 1.877997650488671
Energy: 1.873924429690584
Energy: 1.9502708001617266
Energy: 1.792197017041748
Energy: 1.8694061137313593
Energy: 1.8646475043751356
Energy: 1.8756346651470424
Energy: 1.794701313750278
Energy: 1.8780335839509377
Energy: 1.8632315099606283
Energy: 2.167450627750888
Energy: 1.8754930507302816
Energy: 1.8627984379777083
Energy: 1.9456961928893128
Energy: 1.8764718034314836
Energy: 1.8638992113083988
Energy: 2.478935447465768
Energy: 1.864332532456071
Energy: 1.8667709440710567
Energy: 1.8957133651219735
Energy: 1.8647927401514381
Energy: 1.8632129343940806
Energy: 2.157715871193505
Energy: 1.7975382800131359
Energy: 1.8963128999983263
Energy: 1.894614998954739
Energy: 1.7930577385414277
Energy: 1.7927468859324547
Energy: 2.159932736662651
Energy: 1.7969477965077667
Energy: 1.7578537146752902
Energy: 1.735206639221947
Energy: 1.7960803712969708
Energy: 1.7944632193509222
Energy: 2.4781868004872813
Energy: 1.793762135858687
Energy: 1.8028227747424914
Energy: 1.7967180622626933
Energy: 1.7928254275708575
Energy: 1.908058903557646
Energy: 2.184177721681568
Energy: 1.801839007245231
Energy: 1.6128946356771663
Energy: 1.669886174409317
Energy: 1.6132618107725964
Energy: 1.793527439711865
Energy: 2.1582805857631238
Energy: 1.6133985929845325
Energy: 1.4684501232212739
Energy: 1.467678569495333
Energy: 1.7210182821786397
Energy: 1.7552321992088842
Energy: 2.1863429073756024
Energy: 1.6117015635009304
Energy: 1.611979212236816
Energy: 1.5303687373689965
Energy: 1.612223579650506
Energy: 1.7676794390544985
Energy: 2.4639222900797866
Energy: 1.7962487197886132
Energy: 1.5321346862127376
Energy: 1.5059386627846572
Energy: 1.7798057251612356
Energy: 1.8845336047341545
Energy: 2.44438839104944
Energy: 1.6124100165386843
Energy: 1.5304766793853992
Energy: 1.531433755353923
Energy: 1.6113867033670568
Energy: 1.7317401111720314

minimum gb energy = 1.467678569495333 eV
minimum distance =  2.37107228810287 Angstroms
sigma value = 33


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

Energy: 2.609016571413049
Energy: 1.3176039297066557
Energy: 1.5000325474958207
Energy: 1.5011400516792632
Energy: 1.5004158219668742
Energy: 1.709028564035193
Energy: 2.669099544286471
Energy: 1.4314443990232373
Energy: 1.4515370385132553
Energy: 1.4537654076042825
Energy: 1.4906024749953974
Energy: 1.5931815575706214
Energy: 2.8956320208012465
Energy: 1.6704028997940665
Energy: 1.6116706389002753
Energy: 1.5502130268593455
Energy: 1.5903530326297508
Energy: 1.6759906822412007
Energy: 2.425726764076659
Energy: 1.581952974187116
Energy: 1.5444565734299658
Energy: 1.4574551762320491
Energy: 1.602390099926373
Energy: 1.6364499469783218
Energy: 2.4216223167714483
Energy: 1.6207286012736974
Energy: 1.6239111894366838
Energy: 1.7756712163036132
Energy: 1.5240607203014898
Energy: 1.6475037018843435
Energy: 2.8968473306436002
Energy: 1.679151441417977
Energy: 1.6825113573514245
Energy: 1.7766836995465345
Energy: 1.6863979519863326
Energy: 1.6771620190833743
Energy: 2.4330031866610726
Energy: 1.6606142612601174
Energy: 1.6684163377938444
Energy: 1.7412436917072962
Energy: 1.6624625178076793
Energy: 1.6965762399810072
Energy: 1.9953153402502828
Energy: 1.6970668134481415
Energy: 1.7618798662784587
Energy: 1.705733158139431
Energy: 1.7634213315981022
Energy: 1.7064809056682653
Energy: 2.6656801805743715
Energy: 1.697840618927853
Energy: 1.6871740342682948
Energy: 1.6636208070465919
Energy: 1.6915055063515305
Energy: 1.7029999372712366
Energy: 2.2149860636904934
Energy: 1.7196750808033991
Energy: 1.7039194514756348
Energy: 1.7037725919571294
Energy: 1.706353488207149
Energy: 1.7196729230262349
Energy: 1.9965506811445037
Energy: 1.705930095625503
Energy: 1.7021949326081882
Energy: 1.720704880356465
Energy: 1.7058303636511536
Energy: 1.703395316385141
Energy: 2.0033359021362473
Energy: 1.7228099532347623
Energy: 1.70399249280436
Energy: 1.70482445988289
Energy: 1.7066497699561514
Energy: 1.7183749478524226
Energy: 2.2298279316946386
Energy: 1.6848944361628513
Energy: 1.6915065137327847
Energy: 1.7029917803276369
Energy: 1.6849151331029495
Energy: 1.6647644485279043
Energy: 1.825858512369899
Energy: 1.7083074546379766
Energy: 1.6722534606925579
Energy: 1.7033505679073726
Energy: 1.6762236589733925
Energy: 1.704528547674864
Energy: 1.837234658734536
Energy: 1.6632566540127747
Energy: 1.660917149709167
Energy: 1.7047450677883935
Energy: 1.6609263926500837
Energy: 1.7021283666186606
Energy: 1.8014444634169409
Energy: 1.6800631784792583
Energy: 1.6326835379841218
Energy: 1.7102786009826998
Energy: 1.6332537417006623
Energy: 1.650749778530344
Energy: 1.6035960215622622
Energy: 1.714056841463505
Energy: 1.6670825210896352
Energy: 1.6716782210444254
Energy: 1.52439747987993
Energy: 1.558379532083102
Energy: 1.6188708103720444
Energy: 1.525149751430719
Energy: 1.6007173572241757
Energy: 1.6977406700758917
Energy: 1.585167276710002
Energy: 1.5422042617284029
Energy: 1.4512876495608986
Energy: 1.5101437336604229
Energy: 1.6565294148303935
Energy: 1.6686882029510153
Energy: 1.5944921798897485
Energy: 1.491635306370018
Energy: 1.4536254273540168
Energy: 1.420813716025396
Energy: 1.4219170586344085
Energy: 1.643331051249252
Energy: 1.4518809153210144
Energy: 1.457077416114713
Energy: 1.3325684359476735
Energy: 1.35232371259089
Energy: 1.5284632903278217
Energy: 1.665691379080035
Energy: 1.4224178294451357
Energy: 1.3393563665800647
Energy: 1.3607773403784378
Energy: 1.428846257638795
Energy: 1.6896209577802337
Energy: 1.6797298171930848
Energy: 1.431106854081292
Energy: 1.3518497756322052
Energy: 1.350499013640063
Energy: 1.424818417460099
Energy: 1.5851211466394723
Energy: 1.6377774750566843
Energy: 1.4320880407588559
Energy: 1.3562803753598138
Energy: 1.3359443616174735
Energy: 1.333885076172987
Energy: 1.6756513095550027
Energy: 1.6258404457040336
Energy: 1.3529994347112935
Energy: 1.3390901253917256
Energy: 1.4518775696510422
Energy: 1.4283085013110988
Energy: 1.5796279339900652
Energy: 1.7009258456809218
Energy: 1.4231129706671937
Energy: 1.4527519977392687
Energy: 1.4528273517499295
Energy: 1.6025238587310169
Energy: 1.671783753503664
Energy: 1.7091205765230868
Energy: 1.5779287267039925
Energy: 1.542645135978751
Energy: 1.547826554932919
Energy: 1.5842970646619534
Energy: 1.582581888335656
Energy: 1.69749504284785
Energy: 1.6004879566110424
Energy: 1.5485943683371293
Energy: 1.796528787010922
Energy: 1.6239525681173594
Energy: 1.631287809465213
Energy: 1.6967620900348952
Energy: 1.584404431742275
Energy: 1.6247944907365497
Energy: 1.801145631071853
Energy: 1.6811613762404678
Energy: 1.6815048242656512
Energy: 1.70292380983452
Energy: 1.7101301238368323
Energy: 1.5476676177696334
Energy: 2.118232781034224
Energy: 1.6636694048772955
Energy: 1.6609689232534408
Energy: 1.704900879242844
Energy: 1.661225821778543
Energy: 1.69348608151627
Energy: 1.8208504927164817
Energy: 1.7613936249095774
Energy: 1.7044593638204717
Energy: 1.7562237925495332
Energy: 1.6973642091543995
Energy: 1.701328842004289
Energy: 2.2141825939488946
Energy: 1.6840541662717923
Energy: 1.6984801307850181
Energy: 1.7035296739624766
Energy: 1.6986729749429952
Energy: 1.667497350269139
Energy: 2.215921437890839
Energy: 1.7050878116342032
Energy: 1.7050430319364924
Energy: 1.696653387380939
Energy: 1.7071207289980814
Energy: 1.7132785243076252
Energy: 2.215543061497626
Energy: 1.7033988062530674
Energy: 1.7020725112919006
Energy: 1.7340941722882564
Energy: 1.705456363844189
Energy: 1.7128675222297094
Energy: 2.2137306873461
Energy: 1.7052290539140316
Energy: 1.7019829175479706
Energy: 1.7313409399713708
Energy: 1.715419679387378
Energy: 1.7035291011484914
Energy: 2.428033075986596
Energy: 1.6944140774869183
Energy: 1.6859285489972375
Energy: 1.8296752142422084
Energy: 1.686364874266776
Energy: 1.6962269010661217
Energy: 2.209561544038607
Energy: 1.696828985843995
Energy: 1.728194774177833
Energy: 1.6734429211207509
Energy: 1.7302399233681314
Energy: 1.7059176718101117
Energy: 2.441281789727209
Energy: 1.6604603493008387
Energy: 1.6797790834998665
Energy: 1.6881852996804319
Energy: 1.6615650387463958
Energy: 1.6930948146604905
Energy: 2.897459509940791
Energy: 1.7097600352429954
Energy: 1.6805374927242096
Energy: 1.7712474001144993
Energy: 1.67980092261464
Energy: 1.709622673897408
Energy: 2.4231060052213973
Energy: 1.60376583270959
Energy: 1.6272787348580888
Energy: 1.6258704726048032
Energy: 1.5236745705352717
Energy: 1.6731754619296888
Energy: 2.4220638139368917
Energy: 1.6008692769149855
Energy: 1.5293422639618584
Energy: 1.5445166880423096
Energy: 1.5232851370580764
Energy: 1.6044832930377526
Energy: 2.8854315124753493
Energy: 1.6755314998375475
Energy: 1.541605057132351
Energy: 1.455920088313536
Energy: 1.6137949127412816
Energy: 1.6563901358512874
Energy: 2.4239169446744495
Energy: 1.420791245986283
Energy: 1.4511023216188412
Energy: 1.4527389175761116
Energy: 1.425136777602612
Energy: 1.4350890609465483
Energy: 2.4230286300723796
Energy: 1.3541845440345615
Energy: 1.3386811707671573
Energy: 1.3386197454436577
Energy: 1.3587380378241771
Energy: 1.6937508685451526
Energy: 2.6597326549867906
Energy: 1.4267053512437509
Energy: 1.4586021344023263
Energy: 1.354223513399541
Energy: 1.426037284467702
Energy: 1.5845677745469413
Energy: 2.891467806061078
Energy: 1.622292706577528
Energy: 1.434865268557107
Energy: 1.3596940434617988
Energy: 1.4222804253587205
Energy: 1.6693172485731425
Energy: 2.4195012932655664
Energy: 1.350772622173814
Energy: 1.3352472393646386
Energy: 1.333781633457647
Energy: 1.3506318982011822
Energy: 1.625736079980506

minimum gb energy = 1.3176039297066557 eV
minimum distance =  2.41791790241709 Angstroms
sigma value = 67


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

Energy: 0.39834849953657564
Energy: 0.39875297182337993
Energy: 0.8029293177898619
Energy: 0.5958015662744136
Energy: 0.806198013434772
Energy: 0.39866318730406364
Energy: 0.39966909630902964
Energy: 0.5960667338053471
Energy: 0.5961133535009602
Energy: 0.5959660540705477
Energy: 0.596437330031507
Energy: 0.5961910106094802
Energy: 27.450655672871537
Energy: 0.596260256627785
Energy: 0.596405192412575
Energy: 2.001385660115827
Energy: 0.5963711544740199
Energy: 0.5963218039191807
Energy: 0.3985218357907823
Energy: 0.5965787435140374
Energy: 0.5967027767043744
Energy: 0.5958121417473972
Energy: 0.5965688209669688
Energy: 0.39877844204059526
Energy: 0.399283993707887
Energy: 0.6312678521054863
Energy: 0.597714606192723
Energy: 0.5991117862195573
Energy: 0.5976163004253516
Energy: 0.4000461172440591
Energy: 27.248141555031623
Energy: 0.5963390014526303
Energy: 0.5966309293717721
Energy: 0.5959334810861572
Energy: 0.5962969452356234
Energy: 0.5964754053553819
Energy: 0.3991314157666736
Energy: 0.5961413754261078
Energy: 0.5961763628443152
Energy: 2.00056250284757
Energy: 0.5961288653995135
Energy: 0.5961823847608595

minimum gb energy = 0.39834849953657564 eV
minimum distance =  2.65866640158866 Angstroms
sigma value = 3


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

Energy: 3.0718411082075345
Energy: 1.546845514235566
Energy: 1.5684780212227805
Energy: 1.5689498884415825
Energy: 1.6792459207830066
Energy: 1.6542809364830917
Energy: 2.8387881038655642
Energy: 1.5659627743720086
Energy: 1.3079594426339336
Energy: 1.3130750971837408
Energy: 1.3091030008295312
Energy: 1.612780224939943
Energy: 2.7934898866708298
Energy: 1.564820262277303
Energy: 1.307072790625789
Energy: 1.311566036349081
Energy: 1.3075963047137862
Energy: 1.6153084981569996
Energy: 2.821055109265867
Energy: 1.4232625649310644
Energy: 1.3046950124632384
Energy: 1.3097794811121324
Energy: 1.3058192038092264
Energy: 1.6046736212945794
Energy: 2.7837203762449763
Energy: 1.4262729050264924
Energy: 1.4182463378178318
Energy: 1.437900541253965
Energy: 1.4223067504770235
Energy: 1.6054450871242367
Energy: 2.7895117657201975
Energy: 1.5642021831868271
Energy: 1.4460900552112361
Energy: 1.4507687328223047
Energy: 1.4465935558206813
Energy: 1.6530585352667106
Energy: 2.8294493948765354
Energy: 1.6060447923652132
Energy: 1.4243646212102272
Energy: 1.4384651827663788
Energy: 1.4256733809434694
Energy: 1.6137486846941846
Energy: 2.620221984065999
Energy: 1.6038820832826446
Energy: 1.6037931905749268
Energy: 1.4838762892581285
Energy: 1.5993747225611508
Energy: 1.6738576695710339
Energy: 2.7996217695107903
Energy: 1.6120647182736638
Energy: 1.608867557078124
Energy: 1.615132559051421
Energy: 1.6141607652915457
Energy: 1.6099858750375093
Energy: 2.795564301032567
Energy: 1.6757877636304759
Energy: 1.606547538170511
Energy: 1.6249217953787338
Energy: 1.6038542320678946
Energy: 1.6760947942677318
Energy: 2.598315938809301
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Energy: 1.6878482532542147
Energy: 1.6732642200949082
Energy: 1.6761222118420194
Energy: 1.6731460921152217
Energy: 2.5757503862447026
Energy: 1.6753149316172855
Energy: 1.6801394520318884
Energy: 1.81248866905941
Energy: 1.6870394667673354
Energy: 1.6770341246063556
Energy: 2.587531882394662
Energy: 1.677688301085093
Energy: 1.6778541264588798
Energy: 1.645649879403051
Energy: 1.678939915528383
Energy: 1.716477306234401
Energy: 2.6016525732988987
Energy: 1.6999016456574765
Energy: 1.6761732139815082
Energy: 1.6756874491436808
Energy: 1.7301938898831888
Energy: 1.7009429401267662
Energy: 2.203955612740311
Energy: 1.7033806317798041
Energy: 1.7065347282050276
Energy: 1.6804135830667473
Energy: 1.70565814235406
Energy: 1.700393677692286
Energy: 2.2351257914067775
Energy: 1.6992546237374666
Energy: 1.6995482238709794
Energy: 1.6948981513662298
Energy: 1.702656210295529
Energy: 1.6983218089434797
Energy: 2.1809195290270917
Energy: 1.711285995420073
Energy: 1.6997173907729393
Energy: 1.6969671420831463
Energy: 1.7019039219842202
Energy: 1.6763425168787918
Energy: 2.2055775397087904
Energy: 1.6747229512341
Energy: 1.6777421923494418
Energy: 1.700512728984871
Energy: 1.674835605279427
Energy: 1.6800063573094803
Energy: 2.179573267760518
Energy: 1.677200744651576
Energy: 1.6739733404113184
Energy: 1.6966885100399232
Energy: 1.6739646870565672
Energy: 1.6788630329374645
Energy: 1.8263741939001943
Energy: 1.6903442633329615
Energy: 1.6743094774696778
Energy: 1.6960074504752807
Energy: 1.6745085159702457
Energy: 1.6632501312690053
Energy: 1.8143122699471148
Energy: 1.605682211836304
Energy: 1.6754466832172845
Energy: 1.7323812021139349
Energy: 1.6488310608019214
Energy: 1.6073293794302794
Energy: 1.8838973821734903
Energy: 1.6127419315509175
Energy: 1.6083406641983091
Energy: 1.7342976170038318
Energy: 1.6126708585640461
Energy: 1.6125402136977447
Energy: 1.4994132574404246
Energy: 1.6078589069164977
Energy: 1.6476297518354817
Energy: 1.7012200522174457
Energy: 1.5987998554858651
Energy: 1.5020838400221423
Energy: 1.4577982162950451
Energy: 1.423296275404332
Energy: 1.6126579386942494
Energy: 1.6761565508225795
Energy: 1.6136993213250534
Energy: 1.4246544001388157
Energy: 1.5075849004886321
Energy: 1.4537965179168832
Energy: 1.5667742592212734
Energy: 1.6778196965402312
Energy: 1.5643579671474759
Energy: 1.447617595695982
Energy: 1.4617048960577024
Energy: 1.4231441825444489
Energy: 1.5545282269001683
Energy: 1.6520167208738308
Energy: 1.4228802389915762
Energy: 1.4174778901710916
Energy: 1.3194746960521173
Energy: 1.30553063960655
Energy: 1.5551546557420437
Energy: 1.6513709179789344
Energy: 1.4230980195451184
Energy: 1.3050448341616274
Energy: 1.3124823852264051
Energy: 1.307437530548881
Energy: 1.5650125072806946
Energy: 1.6542132793614153
Energy: 1.4249627898902348
Energy: 1.3070093623975465
Energy: 1.3131179713013115
Energy: 1.3097577265553895
Energy: 1.5697870366741344
Energy: 1.6511790357745992
Energy: 1.4466222609514652
Energy: 1.3106213911695324
Energy: 1.3052899165384835
Energy: 1.4162668713322353
Energy: 1.6046780689643896
Energy: 1.6733798512547398
Energy: 1.416402507847597
Energy: 1.4235158860534942
Energy: 1.5123398303250541
Energy: 1.453830395821403
Energy: 1.5659934673675815
Energy: 1.6760336292666669
Energy: 1.453215901063336
Energy: 1.4544680322798944
Energy: 1.4549367794685282
Energy: 1.4233019846504766
Energy: 1.6140471465659738
Energy: 1.6769507694171908
Energy: 1.476984980595799
Energy: 1.4267631823309797
Energy: 1.491561191479762
Energy: 1.5036619108386857
Energy: 1.6059306910581084
Energy: 1.698251945964519
Energy: 1.6052158058415797
Energy: 1.5077282523662567
Energy: 1.8149321849952675
Energy: 1.607168203873894
Energy: 1.6164520598730694
Energy: 1.6781493288919804
Energy: 1.605883487149716
Energy: 1.6084306342723673
Energy: 1.8112434805131645
Energy: 1.6065186993628489
Energy: 1.6130189616325692
Energy: 1.73090981733885
Energy: 1.6046257204363084
Energy: 1.6087200397909334
Energy: 1.8086116422777716
Energy: 1.6463825440799325
Energy: 1.6776568681797595
Energy: 1.6765302632306127
Energy: 1.6785063725784513
Energy: 1.6071899613138323
Energy: 1.8514994123252175
Energy: 1.684688782411664
Energy: 1.6744090784337364
Energy: 1.701126551207585
Energy: 1.675042795479329
Energy: 1.6883098449608311
Energy: 2.112783890046771
Energy: 1.6755401541398476
Energy: 1.6773095145861077
Energy: 1.7006280425587248
Energy: 1.6779427042455854
Energy: 1.682641989300238
Energy: 2.1976420784440114
Energy: 1.6733708326194474
Energy: 1.7006533858886135
Energy: 1.6984689268144035
Energy: 1.717878602512628
Energy: 1.6790550470957268
Energy: 2.207369488177266
Energy: 1.7039731247078649
Energy: 1.7001991163730368
Energy: 1.676850313721084
Energy: 1.7018204949862061
Energy: 1.7302286039545316
Energy: 2.374101639364328
Energy: 1.7029897759662709
Energy: 1.703121880580677
Energy: 1.699480602108396
Energy: 1.703052524834812
Energy: 1.6997504289324374
Energy: 2.4362663898030403
Energy: 1.7045551310869893
Energy: 1.7019583240856195
Energy: 1.6880969070774041
Energy: 1.7021513724962127
Energy: 1.6987808269609588
Energy: 2.5805772185704847
Energy: 1.727444442548624
Energy: 1.6773000627107555
Energy: 1.6761826551028054
Energy: 1.6774872781868972
Energy: 1.6989079236860665
Energy: 2.5803531402710176
Energy: 1.678827952651334
Energy: 1.676099344306535
Energy: 1.6791667858793062
Energy: 1.6774694382562056
Energy: 1.681664904046277
Energy: 2.5891281966490283
Energy: 1.6748516679082524
Energy: 1.6899121031188447
Energy: 1.7175288109838738
Energy: 1.6817614944105457
Energy: 1.6929002007492548
Energy: 2.7894708005625946
Energy: 1.6756091557461372
Energy: 1.6100731215839714
Energy: 1.6086413796270977
Energy: 1.6490069625565307
Energy: 1.6779605263910902
Energy: 2.792583917365503
Energy: 1.613681944580102
Energy: 1.61628904662747
Energy: 1.613623698517854
Energy: 1.6101403853681968
Energy: 1.6608455619224016
Energy: 2.808367661054647
Energy: 1.6074603128216562
Energy: 1.6038424028370988
Energy: 1.6094689359235381
Energy: 1.6046178462792173
Energy: 1.6461330474779963
Energy: 2.782231752779923
Energy: 1.6047601394298052
Energy: 1.5037488127774048
Energy: 1.5014639616732104
Energy: 1.495828383155711
Energy: 1.6472386484861377
Energy: 2.789576455643088
Energy: 1.612186328044569
Energy: 1.4231748725665572
Energy: 1.4372612510933627
Energy: 1.422849095012212
Energy: 1.6140276788931374
Energy: 2.8352969344672223
Energy: 1.4540000042674717
Energy: 1.446259349350348
Energy: 1.4509406209971099
Energy: 1.4457891239985874
Energy: 1.6117729900255964

minimum gb energy = 1.3046950124632384 eV
minimum distance =  2.38971786343935 Angstroms
sigma value = 81


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

Energy: 3.2625841667954587
Energy: 1.7891091821694733
Energy: 1.745150053836545
Energy: 1.748078979181747
Energy: 1.8933508617777017
Energy: 1.9024835870570906
Energy: 2.4152422502045554
Energy: 1.647472094677898
Energy: 1.4550719434137618
Energy: 1.456575135100249
Energy: 1.4551316778359282
Energy: 1.8447851943197306
Energy: 2.426235754328188
Energy: 1.6280310473613777
Energy: 1.4547531730789214
Energy: 1.4569939833103052
Energy: 1.455371678977864
Energy: 1.846303425353271
Energy: 2.4230307645365086
Energy: 1.612830091257264
Energy: 1.4604700732543034
Energy: 1.463390079734725
Energy: 1.4540183938952274
Energy: 1.8408596122890843
Energy: 2.4518983579933677
Energy: 1.6123877576633316
Energy: 1.6068985109311043
Energy: 1.6081522422795287
Energy: 1.6106355808313546
Energy: 1.8411967588532119
Energy: 2.4300377340057495
Energy: 1.618140300676379
Energy: 1.645969921065225
Energy: 1.6448961552663801
Energy: 1.6467282002556871
Energy: 1.8483174797620738
Energy: 2.429841174547481
Energy: 1.8458272829161093
Energy: 1.611803019198331
Energy: 1.6081888589432505
Energy: 1.6125920832806628
Energy: 1.8437861847294275
Energy: 2.742300923346051
Energy: 1.8449710227498755
Energy: 1.8593428063357667
Energy: 1.7099457606922102
Energy: 1.8589291394028882
Energy: 1.8930309347047505
Energy: 2.4311295726383984
Energy: 1.863320807597203
Energy: 1.8431101404356347
Energy: 1.8002324585873881
Energy: 1.864615847603552
Energy: 1.8648475616337972
Energy: 2.4300450883100275
Energy: 1.9177085780776248
Energy: 1.8408201643554323
Energy: 1.846763673467762
Energy: 1.8412024041638397
Energy: 1.892989931760241
Energy: 2.165922276637247
Energy: 1.891921346077475
Energy: 1.9127724526711016
Energy: 1.8481645379736746
Energy: 1.90965838355667
Energy: 1.892514223093572
Energy: 2.425148162610646
Energy: 1.8905896373065647
Energy: 1.890271334104617
Energy: 2.280699304984645
Energy: 1.8933122067871813
Energy: 1.8911968729799213
Energy: 2.159805500123431
Energy: 1.9390732242080282
Energy: 1.8920482515362986
Energy: 1.8798290381021547
Energy: 1.8947775815681054
Energy: 1.8420896121604493
Energy: 2.167194558234369
Energy: 1.8447222699736825
Energy: 1.8935406378332578
Energy: 1.9546854902576611
Energy: 1.8849359636715524
Energy: 1.8450139408311452
Energy: 2.2177769126827154
Energy: 1.8451638789608358
Energy: 1.865950340348927
Energy: 1.953781983910755
Energy: 1.8646361843222892
Energy: 1.8465960688584657
Energy: 1.7209138156152097
Energy: 1.864249146065548
Energy: 1.8870558718896677
Energy: 1.8796997240407136
Energy: 1.8479697377412991
Energy: 1.7245408243642169
Energy: 1.658064787978088
Energy: 1.6120307125836473
Energy: 1.8452475029204176
Energy: 1.880864542887505
Energy: 1.8455497135048413
Energy: 1.6119545264643498
Energy: 1.7234047932851286
Energy: 1.6467436863203233
Energy: 1.7940783790206707
Energy: 1.9074287800778564
Energy: 1.791076194289497
Energy: 1.6419291773351148
Energy: 1.6676408393388673
Energy: 1.6119671817482288
Energy: 1.7848306838364176
Energy: 1.8784417916579852
Energy: 1.6106364299478955
Energy: 1.6071508973596897
Energy: 1.4582332201319335
Energy: 1.458072474566302
Energy: 1.7848013936929306
Energy: 1.8789849524487587
Energy: 1.6103638695607025
Energy: 1.4610388507149288
Energy: 1.454719034856421
Energy: 1.45446100662463
Energy: 1.7898443266509596
Energy: 1.9548764250352897
Energy: 1.6119937900460906
Energy: 1.4534361227967154
Energy: 1.4569351078967108
Energy: 1.4556699661315762
Energy: 1.8236544572438547
Energy: 1.9105395078106513
Energy: 1.6479680110166572
Energy: 1.4546648272922684
Energy: 1.7456919662503152
Energy: 1.8932446105858944
Energy: 1.8560489526027109
Energy: 1.8932765110310872
Energy: 1.8939396696626234
Energy: 1.7442973565327435
Energy: 1.7061488829985174
Energy: 1.6458905512902258
Energy: 1.823084315856386
Energy: 1.8915461025660707
Energy: 1.6467319497274755
Energy: 1.6500898379332145
Energy: 1.660356388875039
Energy: 1.6109386505742789
Energy: 1.8470384209459167
Energy: 1.9099289892523854
Energy: 1.6120565329589929
Energy: 1.606588028292796
Energy: 1.7051141051478105
Energy: 1.649032775182254
Energy: 1.841937388462753
Energy: 1.8900079959005354
Energy: 1.8411242594638655
Energy: 1.7189619589707485
Energy: 2.159735746015636
Energy: 1.8424035309299516
Energy: 1.8413757133565591
Energy: 1.8903029795331774
Energy: 1.8408729680827314
Energy: 1.8502672344525288
Energy: 1.9575962158020979
Energy: 1.8455849880223691
Energy: 1.8465192935199348
Energy: 1.9277889183114683
Energy: 1.843279127195064
Energy: 1.841143086576393
Energy: 2.16278465780973
Energy: 1.8450210266126708
Energy: 1.8902271866561922
Energy: 1.8910029252103588
Energy: 1.8934004947995875
Energy: 1.846503515952586
Energy: 2.188847934209134
Energy: 1.9278556528371296
Energy: 1.8944821726596774
Energy: 1.8400692723732797
Energy: 1.9201995296872765
Energy: 1.9115453908854874
Energy: 2.444057441194082
Energy: 1.8949767020146495
Energy: 1.910281124086802
Energy: 1.8498253209581719
Energy: 1.9214344294354977
Energy: 1.8808379042841539
Energy: 2.425613763792728
Energy: 1.890028385970202
Energy: 1.8448013088196333
Energy: 1.849789243596727
Energy: 1.932677721998207
Energy: 1.8902253086594258
Energy: 2.425786498733288
Energy: 1.8445323521723433
Energy: 1.844090307794669
Energy: 1.8401219607705237
Energy: 1.8456461939909297
Energy: 1.8959713263365696
Energy: 2.4181483691991192
Energy: 1.8419266478664122
Energy: 1.8467041215929871
Energy: 2.0337620809879584
Energy: 1.8417674991323851
Energy: 1.8826914940747774
Energy: 2.4392916831879123
Energy: 1.8421683786863572
Energy: 1.7217291667153154
Energy: 1.7111106747827238
Energy: 1.718924649605396
Energy: 1.8866416723144008
Energy: 2.4289141052014913
Energy: 1.8460773587256276
Energy: 1.6111056081099129
Energy: 1.6258681359779492
Energy: 1.6118837686741194
Energy: 1.8460974851684793
Energy: 2.424452191779736
Energy: 1.7904296645301667
Energy: 1.6464076601334658
Energy: 1.6446357114154435
Energy: 1.6464255903891414
Energy: 1.8461698320364919
Energy: 3.0356760378166276
Energy: 1.6122199329637745
Energy: 1.60631898599525
Energy: 1.4672130752038197
Energy: 1.607125691730233
Energy: 1.8867657588099924

minimum gb energy = 1.4534361227967154 eV
minimum distance =  2.49295620323961 Angstroms
sigma value = 43


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

Energy: 2.9720461860922827
Energy: 1.9696533937570122
Energy: 1.8648803952251631
Energy: 1.8677725004166086
Energy: 2.0506544780919675
Energy: 2.0439326934740736
Energy: 2.1765055660934465
Energy: 1.7862075472375487
Energy: 1.5547861976700728
Energy: 1.5536272966259748
Energy: 1.554571220119158
Energy: 2.0007966038061213
Energy: 2.162029269743483
Energy: 1.7633256665922437
Energy: 1.5551910056853204
Energy: 1.5564624229196
Energy: 1.55508707721978
Energy: 2.0071529437925237
Energy: 2.81198058068843
Energy: 1.7480603850021752
Energy: 1.5597966548887006
Energy: 1.561751613269714
Energy: 1.5533626982611772
Energy: 2.001285856221926
Energy: 2.166895995509466
Energy: 1.7482369600288192
Energy: 1.7456150934268482
Energy: 1.7468898147513086
Energy: 1.747157924555995
Energy: 2.0013685470176656
Energy: 2.1886234702641736
Energy: 1.7572920471377071
Energy: 1.7836282548027207
Energy: 1.7878322467044534
Energy: 1.784205743855243
Energy: 1.9508802084366683
Energy: 2.161457611542822
Energy: 2.001751960646266
Energy: 1.7468628090251233
Energy: 1.7474143441362102
Energy: 1.748571205471645
Energy: 2.001212099582023
Energy: 2.4638653188272843
Energy: 2.020469934206596
Energy: 2.037487203184575
Energy: 1.74622716873465
Energy: 2.0380787184240354
Energy: 2.0045956030588377
Energy: 2.1461088775157955
Energy: 2.0222380380606286
Energy: 2.0017684445725195
Energy: 1.9472699251634813
Energy: 2.0186094981338836
Energy: 2.0192430510672197
Energy: 2.446637526168183
Energy: 2.0012825491104844
Energy: 2.003670600231786
Energy: 2.0148915057422863
Energy: 2.0022586305034538
Energy: 2.026284104678399
Energy: 2.4718557525373255
Energy: 1.9993964670461197
Energy: 2.0373865256969914
Energy: 2.012441220262326
Energy: 2.0182090986125165
Energy: 2.001306619043229
Energy: 2.161931273987049
Energy: 2.0007154559221583
Energy: 2.0018384290735454
Energy: 2.02360334531391
Energy: 2.001700939300662
Energy: 2.014561886504494
Energy: 1.868454969852854
Energy: 1.8791982388093111
Energy: 2.0256341205657122
Energy: 2.0244787037616088
Energy: 2.0024035897241945
Energy: 1.7829430114476519
Energy: 1.8163229481356817
Energy: 1.7473668224777237
Energy: 2.005100208257424
Energy: 2.105913562365241
Energy: 1.950525148931408
Energy: 1.7475199591053667
Energy: 1.8680772494377493
Energy: 1.783676931325636
Energy: 1.9490980516171579
Energy: 2.0028304842540123
Energy: 1.7843279506468361
Energy: 1.7873336310828902
Energy: 1.581825783429675
Energy: 1.7465441214101767
Energy: 1.9481345583513896
Energy: 2.02444662166114
Energy: 1.7471837715295218
Energy: 1.5823805497718675
Energy: 1.5534331110384079
Energy: 1.5548387454376098
Energy: 1.950139921254026
Energy: 2.095270705109253
Energy: 1.5546878947747564
Energy: 1.5554939323633756
Energy: 1.5565441419622643
Energy: 1.554857826979543
Energy: 1.951640079706046
Energy: 2.105402078447082
Energy: 1.7708742304604133
Energy: 1.5549138877601805
Energy: 1.560207419497564
Energy: 1.5535573059480985
Energy: 1.7493104068781467
Energy: 1.9989986837883231
Energy: 1.747388549194315
Energy: 1.5587012657736408
Energy: 1.8282994725202617
Energy: 1.745845384400827
Energy: 1.7477501782516183
Energy: 2.000139241639064
Energy: 1.7480465028261227
Energy: 1.7459845034653863
Energy: 1.8864426234714768
Energy: 1.784131088528898
Energy: 1.9513059618691404
Energy: 2.020206153371794
Energy: 1.7849810560922295
Energy: 1.787242993408912
Energy: 1.8295960499579622
Energy: 1.7465263676446516
Energy: 2.0013047139054927
Energy: 2.1050409232145797
Energy: 1.747714943009603
Energy: 1.7460902861919556
Energy: 1.8296959606065815
Energy: 2.027083822455449
Energy: 2.0359864857692416
Energy: 2.153433581829321
Energy: 2.030062966913112
Energy: 1.8800633514517684
Energy: 2.11185869236057
Energy: 1.999616917814479
Energy: 2.0227542588270935
Energy: 2.0526377358440664
Energy: 2.017956172434912
Energy: 1.99931222565674
Energy: 2.4478785031679564
Energy: 2.001827670591602
Energy: 2.001777410032378
Energy: 2.027170521641005
Energy: 2.043040196317018
Energy: 2.0010151238555505
Energy: 2.1602765596124676
Energy: 2.0419060690945954
Energy: 2.0017644196337594
Energy: 2.0002064662930183
Energy: 2.001082716079394
Energy: 2.0137068681958707
Energy: 2.1119354856782917
Energy: 2.0016047037988725
Energy: 2.0010956326405913
Energy: 2.014160145340388
Energy: 2.0022719822399044
Energy: 2.02058140088845
Energy: 2.822997796767102
Energy: 2.0040835376773596
Energy: 1.8947363385134621
Energy: 1.7845042748591688
Energy: 1.8816580309495434
Energy: 2.0265213360200494
Energy: 2.165147060147147
Energy: 2.0047203533095814
Energy: 1.7482198826128552
Energy: 1.746622843026395
Energy: 1.7473506790973883
Energy: 2.022782291284328
Energy: 2.1822200822250517
Energy: 1.951143018239835
Energy: 1.7836086025893645
Energy: 1.789069057058262
Energy: 1.7842369882786346
Energy: 2.005353665508918
Energy: 2.8150317626756984
Energy: 1.749031099455976
Energy: 1.7460505432639903
Energy: 1.5836865934190196
Energy: 1.7476908293371185
Energy: 1.9507346400328363

minimum gb energy = 1.5533626982611772 eV
minimum distance =  2.46950435330028 Angstroms
sigma value = 57


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

Energy: 2.5174178471234754
Energy: 2.1927439905494017
Energy: 1.6884065737491034
Energy: 2.0145647759096015
Energy: 2.2549069700115143
Energy: 2.193280386989006
Energy: 2.1278640499882915
Energy: 1.958032306040596
Energy: 1.688972201037471
Energy: 1.687178882113668
Energy: 1.6597492209096414
Energy: 2.1614493158267942
Energy: 2.0602007311772823
Energy: 1.9584487069965368
Energy: 1.686405690253118
Energy: 1.6879493755117787
Energy: 1.687903293411804
Energy: 2.1379141972693723
Energy: 2.9565232216318447
Energy: 1.9338579203701156
Energy: 1.660626000282846
Energy: 1.692044942512901
Energy: 1.6603208569762342
Energy: 2.1648521237241565
Energy: 2.9641332464779984
Energy: 1.9213136061343965
Energy: 1.9330013584242955
Energy: 1.9354325251348616
Energy: 1.9315079850685366
Energy: 2.1597559161511746
Energy: 2.05911875451279
Energy: 1.9220705896969594
Energy: 1.9589547152478628
Energy: 1.9630401051838382
Energy: 1.9567238551313093
Energy: 2.1357321824211364
Energy: 2.4760694057878028
Energy: 2.1606452128238276
Energy: 1.9205773975972762
Energy: 1.9341593668527484
Energy: 1.992611082003523
Energy: 2.1675897285423797
Energy: 2.1112404188228044
Energy: 2.1697771642616073
Energy: 2.011081743094788
Energy: 1.9609283229584868
Energy: 2.190312660803604
Energy: 2.1687850806810944
Energy: 1.6915814253044905
Energy: 2.188513357431283
Energy: 2.1389066386894764
Energy: 2.137033533796489
Energy: 2.1809093807455158
Energy: 1.9932058047750825
Energy: 2.0707624838835836
Energy: 1.9211654533925782
Energy: 2.1599127486279297
Energy: 2.133144385817103
Energy: 2.1680913970380984
Energy: 1.9329174209417086
Energy: 2.0624434062296513
Energy: 1.9317354089536125
Energy: 2.136521427253675
Energy: 2.223531258480143
Energy: 1.9215826853849236
Energy: 1.9572816870805614
Energy: 2.066070444753979
Energy: 1.9228911004698346
Energy: 1.9222419683006848
Energy: 2.1338795813650977
Energy: 1.9206586157248051
Energy: 1.9244903988152837
Energy: 1.6611628803777319
Energy: 1.6613349065089897
Energy: 2.1658325927503452
Energy: 2.135527596996759
Energy: 1.9336800046237717
Energy: 1.661491906058556
Energy: 1.687104446750199
Energy: 1.6868928565989492
Energy: 2.1460232392746006
Energy: 2.2233167934025184
Energy: 1.6871351551856422
Energy: 1.6860130847778305
Energy: 1.6902271335365913
Energy: 1.689044912222433
Energy: 1.9574528230270116
Energy: 2.2244005061042373
Energy: 1.6878276572988076
Energy: 1.6885579543990654
Energy: 1.6594685010609325
Energy: 1.688644256180666
Energy: 2.166150607377142
Energy: 2.165578582440598
Energy: 1.9348795253771829
Energy: 1.6626206633206395
Energy: 2.066829943260293
Energy: 1.9219106258783374
Energy: 1.9575835153449708
Energy: 2.224131349937888
Energy: 1.9221239174591238
Energy: 1.9217509430699111
Energy: 2.064128437992969
Energy: 1.9195935372587527
Energy: 2.14513414442001
Energy: 2.2245371814254424
Energy: 1.9212898416614816
Energy: 1.921251964997749
Energy: 2.0979496682208327
Energy: 1.9987134647240503
Energy: 2.16451312918385
Energy: 2.1594825194388907
Energy: 2.1713536328141543
Energy: 1.9333904937845543
Energy: 2.0951779175956666
Energy: 2.1845211981536083
Energy: 2.167210090537521
Energy: 2.1590870965823177
Energy: 2.1701684945078625
Energy: 2.188103735441207
Energy: 2.4676949256672454
Energy: 2.1810365803211536
Energy: 2.007362694742854
Energy: 1.983224304040558
Energy: 2.184960738389832
Energy: 2.1335371825654676
Energy: 2.058355781863595
Energy: 2.162297407459047
Energy: 1.9211864721614698
Energy: 1.93499375981662
Energy: 1.9217066401444158
Energy: 2.1888297503938148
Energy: 2.105084671899586
Energy: 2.1370891337667772
Energy: 1.963668368785404
Energy: 1.9585640819322738
Energy: 1.9552223279736876
Energy: 2.1859582836874663
Energy: 2.999687299923794
Energy: 1.9337890498267198
Energy: 1.93378435316068
Energy: 1.751602423098352
Energy: 1.9348726599268755
Energy: 2.165518596422087

minimum gb energy = 1.6594685010609325 eV
minimum distance =  2.48933470044831 Angstroms
sigma value = 17


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

Energy: 3.0829446681629795
Energy: 2.3271463639047094
Energy: 2.199554850211468
Energy: 2.1635049017688774
Energy: 2.451272882638314
Energy: 2.3306773800478884
Energy: 1.8082576118852207
Energy: 1.8227502878482413
Energy: 1.8152496642706386
Energy: 1.8212419378216111
Energy: 1.8284651005969983
Energy: 2.1256897936753156
Energy: 1.8559996395369043
Energy: 1.8111207821607864
Energy: 1.8123341982132442
Energy: 1.8277729921519992
Energy: 1.811899392863055
Energy: 2.031189607153536
Energy: 2.4279472325118236
Energy: 2.162087085325639
Energy: 1.819637666878209
Energy: 1.8172807827354591
Energy: 1.832445986023448
Energy: 2.1633005913513053
Energy: 2.4285764503519194
Energy: 2.12785311978621
Energy: 2.1231663047245557
Energy: 1.902728007614275
Energy: 2.121386873868953
Energy: 2.127918337334507
Energy: 1.8192061360733398
Energy: 2.03171621435938
Energy: 2.127665755917151
Energy: 1.8100045077435987
Energy: 2.125783368667484
Energy: 2.1071910319046334
Energy: 1.9154794248957117
Energy: 2.1276890716140833
Energy: 2.1278932316471018
Energy: 1.9012172237601639
Energy: 2.0347452710172544
Energy: 2.121612670194655
Energy: 2.441932535155544
Energy: 2.1283540177433333
Energy: 2.1446984224256096
Energy: 1.8551522366213207
Energy: 2.1255868502860147
Energy: 2.128296837946478
Energy: 1.8556552350014026
Energy: 2.1633260855913385
Energy: 2.320535967842348
Energy: 2.3220186727448477
Energy: 2.163336174402598
Energy: 1.9250580047166557
Energy: 1.8331194660804369
Energy: 1.83024858489321
Energy: 2.122538374366929
Energy: 2.3209143916690587
Energy: 1.8214574976171325
Energy: 1.8187966655369303
Energy: 1.8090636578256785
Energy: 1.8100554838281473
Energy: 2.032323024911222
Energy: 1.8557645528731306
Energy: 1.8107313969632857
Energy: 1.809717735444971
Energy: 1.8141408466340412
Energy: 1.831385038234418
Energy: 2.1262260838833686
Energy: 2.1243813305281845
Energy: 1.831839789118164
Energy: 1.8194372083635169
Energy: 1.9002843785336292
Energy: 2.1232903501706164
Energy: 2.1630588182767965
Energy: 2.430461360109008
Energy: 2.1622751418425494
Energy: 1.8555623362415548
Energy: 1.8067354724531588
Energy: 2.1312708382815604
Energy: 2.030863627213411
Energy: 1.855529148817998
Energy: 2.1283759443299775
Energy: 1.806007593897545
Energy: 1.9012267867541661
Energy: 2.0315032465645855
Energy: 2.131978693573347
Energy: 2.133417425186101
Energy: 2.0305487872555794
Energy: 2.1207026747679265
Energy: 1.8221058777106292
Energy: 2.032766730531564
Energy: 2.1298124888921164
Energy: 2.1276189090497306
Energy: 2.1261800663983443
Energy: 1.923623675316857
Energy: 3.062144895908801
Energy: 2.122936863874164
Energy: 2.163193857906662
Energy: 1.900416978274917
Energy: 2.1626289670648493
Energy: 2.319891184141196

minimum gb energy = 1.806007593897545 eV
minimum distance =  2.45159603767406 Angstroms
sigma value = 17


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

Energy: 3.535937501147096
Energy: 2.352176511079299
Energy: 2.2246107796476315
Energy: 2.222558703818736
Energy: 2.448376096258573
Energy: 2.5175104611037753
Energy: 2.447874001070527
Energy: 1.9023608001425165
Energy: 1.9011556627253545
Energy: 1.905786591639742
Energy: 1.9001864982092502
Energy: 2.1154040368582074
Energy: 2.197515068345832
Energy: 1.8978256774376379
Energy: 1.8987744850095236
Energy: 1.9006870426582088
Energy: 1.8973596986118884
Energy: 2.526403976064329
Energy: 2.6724782156585127
Energy: 2.4768334546493094
Energy: 1.903081047391483
Energy: 1.911869080419307
Energy: 1.9083126466358387
Energy: 2.4509052710886956
Energy: 1.9186956111643605
Energy: 2.4509984646325655
Energy: 2.4733765239170853
Energy: 1.917142163005026
Energy: 2.4726600447686855
Energy: 2.477020947888264
Energy: 1.9056313161115273
Energy: 1.9070956289537093
Energy: 2.41989604143999
Energy: 2.4258517092109457
Energy: 2.473504327042491
Energy: 1.9011906652339925
Energy: 1.9219034940934667
Energy: 1.8998357291547738
Energy: 2.3742782289074578
Energy: 2.3160026713868693
Energy: 1.8992815029125603
Energy: 1.9022289257682152
Energy: 1.9012076163628133
Energy: 1.8988746116010429
Energy: 1.9017503989624158
Energy: 1.912491409708696
Energy: 1.899883191484109
Energy: 1.9016790676800586
Energy: 1.9242077564139177
Energy: 1.9214350878937059
Energy: 2.4047439005818747
Energy: 2.455689853200128
Energy: 2.1473897827903112
Energy: 1.9196085093434099
Energy: 2.2055001148690265
Energy: 2.1454144881931665
Energy: 2.1129660771259737
Energy: 2.112500572421209
Energy: 2.1069978504522022
Energy: 2.1285656775312
Energy: 2.1903023115666937
Energy: 2.1041190326599266
Energy: 2.28020161004618
Energy: 2.213773528423492
Energy: 2.1087163779124842
Energy: 2.1102370853604935
Energy: 2.225292448846211
Energy: 2.1043725584965904
Energy: 2.3568306582437994
Energy: 2.365718024395143
Energy: 2.345645477692909
Energy: 2.1111765421639817
Energy: 2.02769746043984
Energy: 2.3438868389327845
Energy: 2.3476322973565282
Energy: 2.359759564270781
Energy: 2.3505815761722575
Energy: 2.26019838607428
Energy: 2.9351665799062414
Energy: 2.409137884695489
Energy: 1.8456049902026368
Energy: 1.8478347140746305
Energy: 2.4503756716990313
Energy: 2.5085157165599874
Energy: 1.9874963375150352
Energy: 1.855550287766118
Energy: 1.8484401269303372
Energy: 1.842488416248965
Energy: 1.8486142670745154
Energy: 2.3438170069169106
Energy: 2.2088765155723418
Energy: 1.84382824054114
Energy: 1.8429910284038928
Energy: 1.8483701143318703
Energy: 1.8436627157624157
Energy: 2.23361740357238
Energy: 2.684707436612346
Energy: 2.3707641533100885
Energy: 1.852712142755155
Energy: 1.8403150845623668
Energy: 1.8487662607886108
Energy: 2.4474631672038076
Energy: 2.6826770812325953
Energy: 2.3675115811080296
Energy: 2.409372143341185
Energy: 2.2230390745242183
Energy: 2.410914589133008
Energy: 2.4473696631817936
Energy: 2.2127289641304007
Energy: 2.2303095664096086
Energy: 2.3458885180437545
Energy: 2.2611624667471912
Energy: 2.3451573073283085
Energy: 2.120148841667038
Energy: 2.2248634013452504
Energy: 2.1094562263404493
Energy: 2.3567868702238446
Energy: 2.4779204045167287
Energy: 2.1054628983097317
Energy: 2.12260079773965
Energy: 2.1865779770795055
Energy: 2.105511928245
Energy: 2.1135001566642404
Energy: 2.2327633927927977
Energy: 2.1108113363765226
Energy: 2.109549266334188
Energy: 2.2432752449191806
Energy: 2.148087874873273
Energy: 2.2821478065549545
Energy: 2.4270140244832783
Energy: 2.130394454122461
Energy: 2.1495853664696685
Energy: 1.9127278155551393
Energy: 1.9191434068734787
Energy: 2.1330962518536354
Energy: 2.337909173019211
Energy: 1.9103968173252228
Energy: 1.9197428434532273
Energy: 1.897224225092284
Energy: 1.896553961872622
Energy: 1.896548665683896
Energy: 2.2152934248817036
Energy: 1.8967054198093345
Energy: 1.8974147318658112
Energy: 1.913035816736688
Energy: 1.9022263820673957
Energy: 2.4653142317153764
Energy: 2.500592578397145
Energy: 1.9112766983052305
Energy: 1.9002005346488129
Energy: 1.921394968390568
Energy: 2.476051638467449
Energy: 2.4706110741146237
Energy: 2.344230372217715
Energy: 2.47378175128083
Energy: 1.891864091739224
Energy: 2.9362600701199977
Energy: 2.471744971055392
Energy: 1.9171643701456558
Energy: 1.9215422783995224
Energy: 2.4733249340592587
Energy: 2.4236238842242157
Energy: 2.925828784943007
Energy: 2.4048249094714564
Energy: 1.9004390084310605
Energy: 1.900020987771477
Energy: 1.9025352299246652
Energy: 2.450720625464129
Energy: 1.913999775515336
Energy: 1.9004868863860402
Energy: 1.8988074699167032
Energy: 1.8998041629743685
Energy: 1.8970690196396598
Energy: 2.530277788051125
Energy: 3.0906070882515846
Energy: 2.122845682346531
Energy: 1.9221060638038792
Energy: 1.9180208642247352
Energy: 1.9230637127160723
Energy: 2.3632345468907405
Energy: 3.0999571831271053
Energy: 2.1372460204563137
Energy: 2.1475019878245845
Energy: 2.2426593405911275
Energy: 2.1476330900843874
Energy: 2.3655765336203856
Energy: 1.912943993303696
Energy: 2.1154771285555225
Energy: 2.1071837858650526
Energy: 2.108547853305169
Energy: 2.1063664517433174
Energy: 2.281727416217832
Energy: 2.6848820904254005
Energy: 2.320480430392424
Energy: 2.1121535567861276
Energy: 2.107751175747459
Energy: 2.106853560517298
Energy: 2.353343973355384
Energy: 2.6826482076155984
Energy: 2.3523913508021046
Energy: 2.2260676275941016
Energy: 2.2238381583312017
Energy: 2.385521767532042
Energy: 2.3496462267059948
Energy: 1.9186074364673684
Energy: 2.418947280754341
Energy: 2.4445380112236026
Energy: 2.4362545283265797
Energy: 2.39524126012448
Energy: 2.421599339138149
Energy: 1.8417871291759427
Energy: 1.8440899852757904
Energy: 2.3525110167603693
Energy: 2.453316937878161
Energy: 2.056146879305865
Energy: 1.8499184607989574
Energy: 1.8440106003639936
Energy: 1.8426923038640899
Energy: 1.8420435985663786
Energy: 2.2220127417252904
Energy: 1.843409663555973
Energy: 1.8429610929625424
Energy: 1.8438824453741154
Energy: 1.8516267161987785
Energy: 2.347401446055053
Energy: 2.539358820777377
Energy: 1.8528176822057427
Energy: 1.8472236089292189
Energy: 1.8473471503040702
Energy: 2.368810445369187
Energy: 2.4686867436336626
Energy: 2.4493627572145487
Energy: 2.4098074397365403
Energy: 1.8398483039114657
Energy: 2.416444610417161
Energy: 2.346340876758103
Energy: 2.4030131540352873
Energy: 2.2198970398271136
Energy: 2.3428818688123645
Energy: 2.351257418452423
Energy: 2.229529324102581
Energy: 2.3569793992076646
Energy: 2.1151274465970125
Energy: 2.128652232372183
Energy: 2.1049186290597137
Energy: 2.358344344559176
Energy: 2.1997325561654013
Energy: 2.112158845639093
Energy: 2.1094694650739063
Energy: 2.1051701955320112
Energy: 2.106001126562878
Energy: 2.4014524344457278
Energy: 2.2546415414460976
Energy: 2.135742578902111
Energy: 2.1342613709064016
Energy: 2.131731475971787
Energy: 2.145744504294116
Energy: 2.285754272496564

minimum gb energy = 1.8398483039114657 eV
minimum distance =  2.41505741450677 Angstroms
sigma value = 57


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

Energy: 2.7679435948930258
Energy: 2.570389073544084
Energy: 1.9372541839976565
Energy: 1.9032028256934366
Energy: 1.939557504600576
Energy: 2.536461103340408
Energy: 1.9729245578979067
Energy: 1.8905402092788264
Energy: 1.8922942400103884
Energy: 1.8985677870907098
Energy: 1.886372449508325
Energy: 2.2773561041181765
Energy: 1.8896480241910676
Energy: 1.885176779256678
Energy: 1.887305056289095
Energy: 1.8883137686063456
Energy: 1.895281369640211
Energy: 2.198321549814084
Energy: 2.3635824093175852
Energy: 2.4517251773723445
Energy: 1.8924977356086292
Energy: 1.898469704017299
Energy: 1.8920054716415775
Energy: 2.4904089135755267
Energy: 1.887632633648783
Energy: 2.46646361154314
Energy: 2.4640726026975877
Energy: 2.22753169540259
Energy: 2.457845997713241
Energy: 2.468095212426148
Energy: 1.890656171989928
Energy: 1.8909503065537596
Energy: 2.4159397661104287
Energy: 2.451902363646629
Energy: 2.4969708630336385
Energy: 1.891485721114061
Energy: 1.8961512476916071
Energy: 1.8891951809993508
Energy: 2.1955510355994567
Energy: 2.25618917425293
Energy: 1.899535495177039
Energy: 1.8901402694153009
Energy: 1.887914457791362
Energy: 1.888672636625319
Energy: 1.8877786971770434
Energy: 1.8976318359598727
Energy: 1.8851567525752588
Energy: 1.8889258917469882
Energy: 1.8905147374019922
Energy: 1.8859157795390864
Energy: 2.4546973328032737
Energy: 2.5169701078510767
Energy: 2.219314359483181
Energy: 1.8992524125630696
Energy: 2.3813239525562313
Energy: 2.226239377343234
Energy: 2.20408548284654
Energy: 2.332225930356152
Energy: 2.206049439587245
Energy: 2.2351783180589067
Energy: 1.9593068045574582
Energy: 2.217676714102049
Energy: 2.121866778933267
Energy: 2.0148493459338948
Energy: 2.1327045360323584
Energy: 2.2071849833006665
Energy: 1.961432350988478
Energy: 2.1296906961442965
Energy: 2.2281132303682107
Energy: 2.2250558872997828
Energy: 2.2722927084783344
Energy: 2.2084687835977403
Energy: 1.973957898075912
Energy: 2.2211224731254995
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Energy: 2.221123583709019
Energy: 2.2066372671243024
Energy: 2.1198444488255985
Energy: 2.769757167572927
Energy: 2.2785647324672946
Energy: 2.017227598939944
Energy: 2.0142725144139924
Energy: 2.316909631126448
Energy: 2.4054044892354893
Energy: 1.9727896282951445
Energy: 1.8936409170659534
Energy: 1.8886113595897525
Energy: 1.890095997300189
Energy: 1.8898428882097795
Energy: 2.223672542002036
Energy: 1.9070867669441067
Energy: 1.8892179185971971
Energy: 1.8885877811866663
Energy: 1.8881753303671394
Energy: 1.8839660912575757
Energy: 2.195878163598979
Energy: 2.3674766956627225
Energy: 2.46774784101533
Energy: 1.8905285361703597
Energy: 1.8980320870134366
Energy: 1.8881890266040078
Energy: 2.4732184911403294
Energy: 1.8891728638508627
Energy: 2.466402931825439
Energy: 2.507324657222444
Energy: 1.8913928159636575
Energy: 2.454487415348963
Energy: 2.483920933244908
Energy: 1.8888937898614966
Energy: 1.8929889881838728
Energy: 2.425518865195021
Energy: 2.445465185626023
Energy: 2.4999106149934662
Energy: 1.891019341575329
Energy: 1.8876410129382875
Energy: 1.8881356897540094
Energy: 2.1973411905478257
Energy: 2.21494483092433
Energy: 1.8943406336445985
Energy: 1.8894975756034447
Energy: 1.8889022001836935
Energy: 1.888085840575291
Energy: 1.8862353828370764
Energy: 1.8978856571842841
Energy: 1.885950226253889
Energy: 1.8903790750020806
Energy: 1.8923851003265504
Energy: 1.9331802402952383
Energy: 2.4546193929365923
Energy: 2.5137219120120116
Energy: 2.215188188595541
Energy: 1.8945311764903128
Energy: 1.9771901853869616
Energy: 2.2219365638801483
Energy: 2.2118701421017817
Energy: 2.448933794700736
Energy: 2.2210529558884256
Energy: 2.317232209849188
Energy: 1.9588836567247332
Energy: 2.2108346943994883
Energy: 2.120380626577986
Energy: 1.982996881854849
Energy: 2.271755775033782
Energy: 2.2180656878835077
Energy: 1.9677289752736806
Energy: 2.1189772535431937
Energy: 2.232624287437626
Energy: 2.2173599048068193
Energy: 2.330441360731348
Energy: 2.219188498135937
Energy: 1.9740762935641865
Energy: 2.2756858653510146
Energy: 2.207150790622596
Energy: 2.2140336681636064
Energy: 2.208325326418858
Energy: 2.1189269454287674
Energy: 2.767169004032103
Energy: 2.216891949210453
Energy: 1.9622955086796878
Energy: 2.0161461340933173
Energy: 2.276719473515124
Energy: 2.4383129573666156

minimum gb energy = 1.8839660912575757 eV
minimum distance =  2.40194203867262 Angstroms
sigma value = 43


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

Energy: 3.2923889418887087
Energy: 2.5271694314053392
Energy: 2.239779048309077
Energy: 2.2406264104112164
Energy: 2.2389708429137123
Energy: 2.5364551231554966
Energy: 2.098171852291109
Energy: 1.9177951622322975
Energy: 1.9062750644881103
Energy: 1.906265162199798
Energy: 1.9078698391158282
Energy: 1.9070181027133324
Energy: 2.2591592029129424
Energy: 1.9096847738307121
Energy: 1.9053488406421006
Energy: 1.9108547269069365
Energy: 1.9065182940449725
Energy: 2.463171280642031
Energy: 2.3810858529450303
Energy: 2.4561031324509
Energy: 1.9077467781903217
Energy: 1.9299472666610948
Energy: 1.9082201521356228
Energy: 2.4617179973916574
Energy: 2.1281723813295486
Energy: 2.4458672094137306
Energy: 2.4537023355193317
Energy: 1.885075763803406
Energy: 2.4575884576255977
Energy: 2.4389422275130586
Energy: 1.8439034184540528
Energy: 1.834300121161932
Energy: 2.5320725585968793
Energy: 2.345146917270156
Energy: 2.4553170750948357
Energy: 1.8342662827512484
Energy: 1.82948235097542
Energy: 1.8307669688923711
Energy: 1.831611740846566
Energy: 2.4046283202997545
Energy: 1.8317983251382826
Energy: 1.8317447179497723
Energy: 1.8325456216581764
Energy: 1.8321455530035013
Energy: 1.831518606760479
Energy: 1.9151358482648388
Energy: 1.830968447719995
Energy: 1.8307865769481473
Energy: 1.8452846958369362
Energy: 1.8334999923047848
Energy: 2.4555574182073108
Energy: 2.4745926409797447
Energy: 2.454698003830007
Energy: 1.833611634293191
Energy: 2.4721952510754472
Energy: 2.4770527666335624
Energy: 2.470899193167091
Energy: 1.9115932580589112
Energy: 2.478007452425158
Energy: 2.439349907759651
Energy: 2.573697392150317
Energy: 2.453722732243365
Energy: 1.90919250001314
Energy: 1.9201095076274641
Energy: 1.907177228995415
Energy: 2.3475128862545347
Energy: 2.3211992143420574
Energy: 1.9054762467821302
Energy: 1.9053044425386674
Energy: 1.9077906373328952
Energy: 1.9075692414536451
Energy: 2.4687526403023194
Energy: 2.264332457351873
Energy: 1.9059172542668035
Energy: 1.9069224792968649
Energy: 1.9054858392233598
Energy: 1.906437352093053
Energy: 1.9071061945223478
Energy: 2.921191762694211
Energy: 2.182835519066097
Energy: 2.238781840774792
Energy: 2.2702633443350066
Energy: 1.9056423006672365
Energy: 2.452536352095092
Energy: 1.944974105013595
Energy: 2.177276915947781
Energy: 2.175869390919972
Energy: 2.1821435694892704
Energy: 2.1767679411358576
Energy: 2.1783313682731116
Energy: 2.3310774598029784
Energy: 2.198713301654008
Energy: 2.1747546016066743
Energy: 2.1843073729877975
Energy: 2.1764604224475157
Energy: 2.185206903028743
Energy: 2.284324608671618
Energy: 2.176302822577876
Energy: 2.1808460117121684
Energy: 2.2593247547122424
Energy: 2.198597283688854
Energy: 2.175093407642499
Energy: 2.2969874650752495
Energy: 2.1736716984345135
Energy: 2.1820721153208416
Energy: 2.2319992521117054
Energy: 2.177173632881117
Energy: 2.1776507705892487
Energy: 2.239780739483445
Energy: 2.2385661312172043
Energy: 2.5272476259168837
Energy: 2.5380940883999634
Energy: 2.511968901035934
Energy: 2.2394059008359717
Energy: 1.905343919976896
Energy: 1.9073955054653977
Energy: 1.9078245656855592
Energy: 2.552986795667371
Energy: 1.9060732588453428
Energy: 1.9091166995933635
Energy: 1.9108407817975308
Energy: 1.9086724796704428
Energy: 2.2337698487681372
Energy: 2.260453919935943
Energy: 1.906783499974931
Energy: 1.9049359953895537
Energy: 1.9303225732300506
Energy: 1.911405873133222
Energy: 2.4575250381682867
Energy: 2.4351587957851155
Energy: 2.455845249388825
Energy: 1.909187913928826
Energy: 1.8442679443310943
Energy: 2.454863051536573
Energy: 2.4392992215690157
Energy: 2.3023626217566204
Energy: 2.4711287906757105
Energy: 2.3701257674854728
Energy: 2.567704536729409
Energy: 2.4548593153211353
Energy: 1.8324093889921624
Energy: 1.8445800867804292
Energy: 1.831858097494492
Energy: 2.5324150737469195
Energy: 1.9251375333452072
Energy: 1.8317585790558828
Energy: 1.8318058563650126
Energy: 1.8295843737227717
Energy: 1.8324907320540793
Energy: 2.198691139932477
Energy: 2.215866544695075
Energy: 1.8314747416162576
Energy: 1.830063512501903
Energy: 1.8321116931786638
Energy: 1.8310155044985053
Energy: 2.1990338422910267
Energy: 2.820351638236403
Energy: 2.455193425899157
Energy: 1.8339986928874294
Energy: 1.8457368565946939
Energy: 1.8339074552303862
Energy: 2.4565626643603617
Energy: 2.3044414769415456
Energy: 2.4701639363800423
Energy: 2.469869749971905
Energy: 2.129059342903267
Energy: 2.4749350723642896
Energy: 2.4566055437828123
Energy: 1.9306894951669349
Energy: 1.909076944506266
Energy: 2.4556533198613346
Energy: 2.372351047154144
Energy: 2.454735851905549
Energy: 1.9057528834222586
Energy: 1.9064085694796118
Energy: 1.906873309202464
Energy: 2.2339699779936923
Energy: 2.30754158887081
Energy: 1.9075629374415077
Energy: 1.9047830264700496
Energy: 1.9128174562477767
Energy: 1.9066215634987282
Energy: 1.9078101195576411
Energy: 2.5555515934846427
Energy: 1.9090475270842544
Energy: 1.9062242133422693
Energy: 2.2687559131311557
Energy: 1.9063866138309762
Energy: 2.4513366886574732
Energy: 2.48468617979848
Energy: 2.1871272166615348
Energy: 2.240107987747328
Energy: 2.299188681696572
Energy: 2.178867819620945
Energy: 2.1783837588880517
Energy: 1.9372245594600468
Energy: 2.1786818429329684
Energy: 2.175192612131247
Energy: 2.292053802005889
Energy: 2.1745234751555595
Energy: 2.176196806995834
Energy: 2.328060903958372
Energy: 2.1970530849134406
Energy: 2.180131323017892
Energy: 2.274396710646261
Energy: 2.19890711339189
Energy: 2.17540731265907
Energy: 2.1806846731987375
Energy: 2.1784980387057176
Energy: 2.179311408739612
Energy: 2.0981718540361283
Energy: 2.1777155221770417
Energy: 2.177147113016876
Energy: 2.1828733278325085
Energy: 2.174314423060474
Energy: 2.1961165370246776

minimum gb energy = 1.82948235097542 eV
minimum distance =  2.41951727523428 Angstroms
sigma value = 81


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

Energy: 1.7286180252501824
Energy: 1.728173427144495
Energy: 2.601161514794369
Energy: 1.731664319520745
Energy: 2.602022328808518
Energy: 1.7278335932822726
Energy: 1.7282214280366268
Energy: 2.527442374750359
Energy: 1.733885056501441
Energy: 1.7318220793311678
Energy: 1.7344317874646074
Energy: 2.0205025089078967
Energy: 2.018216782249484
Energy: 2.0191083319506276
Energy: 1.7320577972425633
Energy: 1.7327859935773031
Energy: 1.7323297708321126
Energy: 2.3461353088857195
Energy: 2.019328460425153
Energy: 2.0213937167654703
Energy: 1.731045755549899
Energy: 1.7314435179436163
Energy: 1.7317029671897974
Energy: 2.020272820199526
Energy: 2.0200215928708434
Energy: 2.019076346695869
Energy: 1.7331077691054382
Energy: 1.732893635554037
Energy: 1.734806282464028
Energy: 2.0213937452765527
Energy: 1.7321881612807883
Energy: 1.7319272943494346
Energy: 1.7280144803100737
Energy: 1.7323733915667594
Energy: 2.0205903785813666
Energy: 1.7327046269393036
Energy: 1.7315619447259831
Energy: 1.7326811195636083
Energy: 2.0194869118183214
Energy: 1.7321623598161635
Energy: 1.7319132583256212
Energy: 1.734365579777168
Energy: 1.7316240324163192
Energy: 1.7317715671848972
Energy: 2.353051348482157
Energy: 2.0203367259961134
Energy: 1.7323772800862602
Energy: 1.733666426902542
Energy: 1.7318747137576151
Energy: 2.597133793468188
Energy: 2.020922257221426
Energy: 2.019928376117409
Energy: 2.0196704591274255
Energy: 1.731009158248679
Energy: 1.7284436792400102
Energy: 1.7333332165606183
Energy: 2.020816699183143
Energy: 2.0208797958109987
Energy: 2.0211848343574026
Energy: 1.7326908224922715

minimum gb energy = 1.7278335932822726 eV
minimum distance =  2.43200732564819 Angstroms
sigma value = 3


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

Energy: 3.1621018090269484
Energy: 2.0285888646874177
Energy: 2.2462261029291
Energy: 2.25624535046501
Energy: 2.2479829755207987
Energy: 2.577014435924311
Energy: 1.813345004780387
Energy: 2.1565795009043702
Energy: 2.1552662078523754
Energy: 2.14050078937548
Energy: 1.8464194558585467
Energy: 2.156966733513576
Energy: 2.1336098378153805
Energy: 2.0682078315539387
Energy: 2.1548700179758167
Energy: 2.1377104695103943
Energy: 2.156574719579568
Energy: 2.1401707617411927
Energy: 2.124228399981773
Energy: 2.154567790372756
Energy: 1.8481546991639042
Energy: 2.136648590842196
Energy: 2.068966575168105
Energy: 2.1464378307901133
Energy: 2.1331160735689445
Energy: 2.1560709337042057
Energy: 2.1541965318573695
Energy: 1.849593667489003
Energy: 1.8539503235218617
Energy: 2.134984455568976
Energy: 2.2504556661492034
Energy: 2.249988576453245
Energy: 1.8509209945917235
Energy: 1.853458628881938
Energy: 2.2513759390030854
Energy: 2.242134467903639
Energy: 2.3726789848433723
Energy: 2.1556420403850103
Energy: 2.430235599535616
Energy: 1.8486231658963
Energy: 2.4429863639884517
Energy: 2.4867797531254126
Energy: 2.37363197450135
Energy: 2.4355434205157653
Energy: 1.8422898440181559
Energy: 1.8443269245215923
Energy: 1.8435471577422191
Energy: 2.4351644829640837
Energy: 2.649713436082356
Energy: 1.8438873643870937
Energy: 1.843116254385292
Energy: 1.8441825963353868
Energy: 1.8452867606704362
Energy: 2.432017404665531
Energy: 2.390304435116726
Energy: 1.8423910422997993
Energy: 1.8435323606752057
Energy: 1.8415032958952215
Energy: 1.8450519692448484
Energy: 2.2839232155833296
Energy: 2.6561602653534875
Energy: 2.5675833943675146
Energy: 1.857283745139435
Energy: 1.8527638628541732
Energy: 1.8435650674288295
Energy: 2.4371841381277903
Energy: 1.8537405027010052
Energy: 2.5355533025151855
Energy: 2.157271606189005
Energy: 2.8956222807778533
Energy: 1.8417045638372689
Energy: 2.3464277762548194
Energy: 1.8439766893496978
Energy: 1.8431077867176382
Energy: 2.23565300374469
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Energy: 1.8420011263399245
Energy: 1.8421880326467213
Energy: 1.8403951094695479
Energy: 1.8415757350213104
Energy: 1.843130791924877
Energy: 2.647502223963212
Energy: 1.8444841566436576
Energy: 1.8415177426969056
Energy: 1.8443967851045187
Energy: 1.8456378931254782
Energy: 2.169260316445742
Energy: 2.6434815297474126
Energy: 1.84278512322416
Energy: 1.844604419781981
Energy: 1.8467126891601602
Energy: 2.1602918619530946
Energy: 2.4570469361875875
Energy: 2.6479846099268793
Energy: 2.4361755486968293
Energy: 1.842079473529026
Energy: 2.949129511893356
Energy: 2.181331574465731
Energy: 2.279059849120549
Energy: 2.323580074518391
Energy: 2.5529110745754378
Energy: 2.532767601049681
Energy: 2.9415681502120274
Energy: 1.847358770579382
Energy: 2.135790226080564
Energy: 2.1367558181990827
Energy: 1.8483190816642512
Energy: 1.7949210360882297
Energy: 2.135976599268556
Energy: 2.0686332960552005
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Energy: 2.128199457397028
Energy: 1.8439254051890035
Energy: 2.1344029825495987
Energy: 2.134288684948985
Energy: 2.1561814674352773
Energy: 1.8481712929590948
Energy: 2.1360675237728195
Energy: 2.0750915927394242
Energy: 2.1551987667422887
Energy: 2.1331673427514484
Energy: 2.156111582617051
Energy: 2.0698651282996736
Energy: 2.135199245490234
Energy: 1.843040560214394
Energy: 2.1250596152254024
Energy: 2.2869584864749464
Energy: 2.135057850932646
Energy: 2.0088931733312023
Energy: 2.3428383859281623
Energy: 2.1511184187171497
Energy: 2.2763570943367366
Energy: 2.649898274628544
Energy: 2.502139483891121
Energy: 2.1701174596304407
Energy: 1.8499480428051072
Energy: 2.1698209352361926
Energy: 2.5571720411419916
Energy: 2.398350221022386
Energy: 2.4606842488082252
Energy: 1.8426164174032533
Energy: 1.8456866638364382
Energy: 1.8442238868237588
Energy: 2.3670881506184
Energy: 2.6499374898640817
Energy: 1.8429970235035649
Energy: 1.8448873982874232
Energy: 1.843720736475802
Energy: 1.8440926175631926
Energy: 2.433321333332218
Energy: 2.3925401073899817
Energy: 1.843393874088507
Energy: 1.8418854640305766
Energy: 1.8416471488553603
Energy: 1.8421346054074614
Energy: 1.8435272413001937
Energy: 2.6517326074498957
Energy: 1.8422191014651312
Energy: 1.8432945191065593
Energy: 1.8431564925678705
Energy: 1.8436797007995933
Energy: 2.451788992691197
Energy: 2.390173534091955
Energy: 1.853597720330275
Energy: 2.166941696372521
Energy: 2.89663144431308
Energy: 2.1684560784133122
Energy: 2.169002220998604
Energy: 1.8543300684498498
Energy: 1.8444902215878705
Energy: 1.7957309637890615
Energy: 2.5268548854447435
Energy: 1.8543610059734286
Energy: 1.843469732343457
Energy: 1.8524914040970766
Energy: 1.8438460682664166
Energy: 1.8420233020485535
Energy: 2.6884609365371674
Energy: 1.8565296365281634
Energy: 1.8421012602557678
Energy: 1.8519524671322853
Energy: 1.8447319960169157
Energy: 2.0123071963460606
Energy: 2.6456889615586667
Energy: 1.84443812225878
Energy: 1.8444826231363056
Energy: 1.8464742860562022
Energy: 1.84316490462148
Energy: 2.448933149036485
Energy: 2.507926038094281
Energy: 2.173273378152075
Energy: 1.8436211347994529
Energy: 1.7931144955429816
Energy: 2.433942775964919
Energy: 2.489801746655554
Energy: 2.64468885375645
Energy: 2.170919231486444
Energy: 2.2828572393506112

minimum gb energy = 1.7931144955429816 eV
minimum distance =  2.40056295293967 Angstroms
sigma value = 67


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

Energy: 2.529573562427526
Energy: 1.846227720768215
Energy: 2.18278779954024
Energy: 2.1815271950033703
Energy: 2.184389416111964
Energy: 1.8472062944589267
Energy: 1.8174745361324076
Energy: 2.186508644425049
Energy: 2.184860310766639
Energy: 2.1450582991079745
Energy: 2.187498013485216
Energy: 1.9633208546206362
Energy: 2.1431233107784453
Energy: 1.949415410871892
Energy: 2.1918400193246104
Energy: 2.1474047913757457
Energy: 2.158024390442184
Energy: 2.3183706414745724
Energy: 2.1505657280030452
Energy: 2.181877194635682
Energy: 1.943645488461324
Energy: 2.1441082058762024
Energy: 1.9548643970027804
Energy: 2.1573091636448134
Energy: 2.147951424151861
Energy: 2.1495217982987667
Energy: 2.4870496857744553
Energy: 1.8183913046038893
Energy: 2.186599420226247
Energy: 2.1511040045005703
Energy: 2.164711409277588
Energy: 2.1483487750789454
Energy: 2.2701359908822463
Energy: 2.9527129883983583
Energy: 2.197114543422565
Energy: 2.164339384585529
Energy: 2.459236384337811
Energy: 2.182633676852684
Energy: 1.9054357013017598
Energy: 1.8175516369019429
Energy: 2.2921737464442917
Energy: 2.140490625523186
Energy: 2.464948724430313
Energy: 2.182438009960784
Energy: 1.8176901932444394
Energy: 1.8160536262737295
Energy: 1.8181178264018243
Energy: 2.5357506969065127
Energy: 2.5217012786982242
Energy: 1.818437513004075
Energy: 1.8126636241305303
Energy: 1.8150301652678626
Energy: 1.813339220493467
Energy: 2.78523668174459
Energy: 2.2431696785414963
Energy: 2.1609672087366647
Energy: 1.8164641485038902
Energy: 1.8293156448347185
Energy: 1.8151476722302013
Energy: 2.266348047109045
Energy: 2.8854440600070426
Energy: 2.269307111104077
Energy: 1.8204217845545503
Energy: 1.8169881709541553
Energy: 2.255087982156355
Energy: 2.2661432870788953
Energy: 2.163105206427146
Energy: 2.194183229470574
Energy: 2.386753642532459
Energy: 1.8195977978294053
Energy: 2.7284242937527234
Energy: 2.1995159125974446
Energy: 2.1704563474952026
Energy: 2.1510282873747504
Energy: 2.3873941772548033
Energy: 1.8249070175473325
Energy: 2.186751208293152
Energy: 2.1518644441573094
Energy: 2.1490892595471727
Energy: 2.181973660284022
Energy: 1.9583080278656737
Energy: 2.1434106163209132
Energy: 2.187597312398566
Energy: 2.187563874463395
Energy: 2.1507994812650213
Energy: 2.1565320245216797
Energy: 2.1906698234070223
Energy: 2.1435542210240888
Energy: 1.945549308021543
Energy: 2.1870654178229882
Energy: 2.1435594755006506
Energy: 1.970932414904895
Energy: 2.1516005986584696
Energy: 2.1426917686004288
Energy: 2.151459598622816
Energy: 2.31462263791899
Energy: 2.859361740411584
Energy: 2.1705321579136605
Energy: 2.147002540739508
Energy: 2.169739917077152
Energy: 2.160858562498634
Energy: 2.731716068023266
Energy: 2.8514774780830927
Energy: 2.2736843333667105
Energy: 2.168691846920336
Energy: 2.2413489971745344
Energy: 2.146698389676578
Energy: 2.2888391286089473
Energy: 1.8170655476366415
Energy: 1.821634221175315
Energy: 2.4973275931158048
Energy: 2.493053150292541
Energy: 2.2569944222306777
Energy: 1.8210229592598988
Energy: 1.822523297826955
Energy: 1.8148243175993855
Energy: 1.813340316407152
Energy: 2.240212591037379
Energy: 1.8182417924772722
Energy: 1.8146294224373958
Energy: 1.8151302066660506
Energy: 1.8158592984855768
Energy: 2.1665964550542722
Energy: 2.5268334169277815
Energy: 1.818103290180962
Energy: 1.81419792602328
Energy: 1.8155692399805876
Energy: 1.8195637001520488
Energy: 2.2574968641964044
Energy: 2.1447298172880633
Energy: 2.162845491771906
Energy: 1.8186552333024544
Energy: 1.8152831515598278
Energy: 2.26975252023639
Energy: 2.182736218906339
Energy: 2.282384097977826
Energy: 2.729963032521656
Energy: 2.297659592086076

minimum gb energy = 1.8126636241305303 eV
minimum distance =  2.44466612579671 Angstroms
sigma value = 33


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

Energy: 3.3185621682672393
Energy: 2.220802727505374
Energy: 2.3785322412855128
Energy: 2.3635885348834833
Energy: 2.3734213035846596
Energy: 2.8835767054811767
Energy: 1.8079757601968824
Energy: 2.4037396453681414
Energy: 2.3835906029659064
Energy: 2.3338017613492363
Energy: 2.2029456612023615
Energy: 2.0453888503885387
Energy: 1.961694735843751
Energy: 2.0745688560866657
Energy: 2.2035981870958468
Energy: 2.1219813989867835
Energy: 2.2037006129237326
Energy: 1.9644367672601828
Energy: 1.9714101049133244
Energy: 2.0085653231873737
Energy: 2.0788983790668842
Energy: 2.317996616884686
Energy: 2.0836923779120666
Energy: 1.9721086218965493
Energy: 1.9636132853540238
Energy: 1.964636366077969
Energy: 1.9647561800375797
Energy: 1.8119333928692798
Energy: 2.004950498383644
Energy: 1.9766134366653982
Energy: 1.960228723581999
Energy: 1.8112070935900737
Energy: 2.473926112225559
Energy: 2.7228842617816182
Energy: 1.8249043757088566
Energy: 1.811133571980045
Energy: 1.8073204402938674
Energy: 2.3730206216699026
Energy: 2.333497148730322
Energy: 1.8117832792846327
Energy: 2.513875104375991
Energy: 2.1259386314329354
Energy: 2.2610325589987204
Energy: 2.0551390726155905
Energy: 1.9620723369083009
Energy: 1.9607836993021472
Energy: 1.9693067365877042
Energy: 2.8527935737086616
Energy: 2.2021942255142064
Energy: 2.004789197609392
Energy: 2.001135005578184
Energy: 1.9623878390394465
Energy: 2.0022923150694654
Energy: 2.3270265666088026
Energy: 2.327233414748313
Energy: 2.1808279705948226
Energy: 2.004397749742723
Energy: 1.9674070005408508
Energy: 2.0117137262972404
Energy: 2.3606228341356
Energy: 2.3133992285094904
Energy: 2.4101197789261812
Energy: 2.0707601409523813
Energy: 1.9618088021203748
Energy: 2.079609011532183
Energy: 2.3095130565495556
Energy: 2.318896552964229
Energy: 2.3224940875607185
Energy: 2.410177559356183
Energy: 1.8103993731469201
Energy: 2.453728966729402
Energy: 2.318980993609739
Energy: 2.4317060743004446
Energy: 2.413649832026463
Energy: 2.5971177580108553
Energy: 1.8169230253276978
Energy: 2.453942900150217
Energy: 2.4328457712253453
Energy: 2.5156013254325535
Energy: 2.318935691640121
Energy: 1.814282576248587
Energy: 1.814282992399536
Energy: 1.814198090762105
Energy: 2.5101190763130816
Energy: 2.543115235147055
Energy: 2.1746457032027053
Energy: 1.815541239617716
Energy: 1.8110622197250814
Energy: 1.805650350141613
Energy: 2.3418529925446006
Energy: 2.447374850608826
Energy: 1.8114598390881962
Energy: 1.8097751134787021
Energy: 1.8078114317142135
Energy: 1.8081364374577684
Energy: 2.781738369181758
Energy: 2.3171115837593588
Energy: 2.0181583156901306
Energy: 1.8135704836324462
Energy: 1.812496252434589
Energy: 1.8156938025068527
Energy: 2.7786126380401526
Energy: 2.4336429915190294
Energy: 2.598722728310707
Energy: 2.503346894802531
Energy: 1.8185760148719563
Energy: 2.503883928789409
Energy: 2.383493249293629
Energy: 2.310371083842513
Energy: 2.208286699266829
Energy: 2.2165362865917
Energy: 2.8500169698410778
Energy: 2.210873009897048
Energy: 2.1746620203864317
Energy: 2.3311044207491043
Energy: 2.3842590864766118
Energy: 2.208113065232586
Energy: 1.8229289547168424
Energy: 2.205129519765417
Energy: 2.383349654543936
Energy: 2.115492048045604
Energy: 2.2030850007409732
Energy: 2.0047370182624173
Energy: 1.9607049453274326
Energy: 2.0697581307334625
Energy: 2.3815516274531787
Energy: 2.3201902635915546
Energy: 2.0737521357739546
Energy: 2.002900477963391
Energy: 1.9663487489125488
Energy: 2.0025268577008437
Energy: 2.4331377462747517
Energy: 1.8118602717153487
Energy: 1.962816280871417
Energy: 1.961903380786173
Energy: 1.9625321080073401
Energy: 2.0038044956896317
Energy: 2.011388494567876
Energy: 2.9887679179590925
Energy: 2.05354876496421
Energy: 2.059452551575767
Energy: 1.9607254866990933
Energy: 2.060198801768305
Energy: 2.754351649949867
Energy: 1.8119614898440777
Energy: 2.5143176592649388
Energy: 1.960271569264347
Energy: 1.8074420572607197
Energy: 2.373830391001097
Energy: 1.8108184946215877
Energy: 1.9608836071590008
Energy: 1.962282229143623
Energy: 2.172573392189547
Energy: 2.504764870404526
Energy: 1.9635427681701543
Energy: 1.9613937279826648
Energy: 1.9605765113313163
Energy: 2.003257809865391
Energy: 2.086702356371929
Energy: 2.203592337877634
Energy: 1.9637899721025425
Energy: 2.003398058924019
Energy: 1.9603352905676112
Energy: 2.0034731231547185
Energy: 2.2020072166373708
Energy: 2.3299438786668025
Energy: 2.07038529331353
Energy: 2.0079535884802135
Energy: 1.961677394605114
Energy: 2.0711079008179807
Energy: 2.3123014621970346
Energy: 2.311203741344773
Energy: 2.202958681385667
Energy: 1.9610645575520917
Energy: 1.819924622248556
Energy: 2.4539407959545594
Energy: 2.3218707783999673
Energy: 2.318565234370176
Energy: 2.331697282827512
Energy: 2.5278892361454997
Energy: 1.817517407477976
Energy: 2.487866446784467
Energy: 2.433305151118613
Energy: 2.392919293747928
Energy: 2.4345148733847037
Energy: 2.5601914704204094
Energy: 1.8147833017933357
Energy: 1.8145819771851612
Energy: 2.5962132211691635
Energy: 2.504043414113452
Energy: 2.3186894990493134
Energy: 1.8126923763849179
Energy: 1.8123131424296188
Energy: 1.8146965856629707
Energy: 2.217317435421389
Energy: 2.5450060061471778
Energy: 1.81916410392916
Energy: 1.8124898381555725
Energy: 1.8032301713659074
Energy: 1.8032480722545225
Energy: 1.8103996985009714
Energy: 2.6385666699668806
Energy: 1.8135547720243412
Energy: 1.8035478000689502
Energy: 1.8195701021884436
Energy: 1.8145374307542566
Energy: 2.019593528309201
Energy: 2.430193850579973
Energy: 2.0202179474094835
Energy: 1.812610439233687
Energy: 1.814948491896009
Energy: 2.5094588992201987
Energy: 2.386235530537874
Energy: 2.4305535693160913
Energy: 2.333000580994681
Energy: 1.8178470305675976
Energy: 3.011566977924193
Energy: 2.3738392198456157
Energy: 2.2077243227309946
Energy: 2.3933368627166325
Energy: 2.1773548273594554
Energy: 2.848895606494034

minimum gb energy = 1.8032301713659074 eV
minimum distance =  2.46027827649361 Angstroms
sigma value = 41


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

Energy: 2.700637467488916
Energy: 1.634832216922565
Energy: 1.9912464010998285
Energy: 2.0016462538050623
Energy: 1.991775417911263
Energy: 2.5431807475234325
Energy: 2.3495152434559152
Energy: 1.7235253168439795
Energy: 1.7262791034021365
Energy: 2.0038203599811504
Energy: 1.7255728621849573
Energy: 2.106032178247445
Energy: 2.0067957055699237
Energy: 1.7238933694826122
Energy: 1.7218650800017523
Energy: 1.6300214647195646
Energy: 1.7240542354749835
Energy: 2.108528999447707
Energy: 2.1775986132913627
Energy: 1.7212328964686077
Energy: 1.7199071703845186
Energy: 2.105393550047954
Energy: 1.722490218856069
Energy: 2.027097304705087
Energy: 2.0057942917676663
Energy: 2.003699904804854
Energy: 1.7208222157213142
Energy: 1.992150326232019
Energy: 2.002814810501096
Energy: 2.0014803700946
Energy: 1.9975405782386508
Energy: 1.9930445064896587
Energy: 1.9926054237642647
Energy: 2.163657576519703
Energy: 2.6296675912078507
Energy: 2.0026904995238355
Energy: 2.3465642116094014
Energy: 2.0265937474998608
Energy: 1.7216433018552955
Energy: 1.9966966570358287
Energy: 1.7195265860442126
Energy: 2.4539850927636793
Energy: 2.3469980159240085
Energy: 1.7234053934308355
Energy: 2.099910540617828
Energy: 2.0045575069854054
Energy: 1.7248513776972263
Energy: 2.345716068449407
Energy: 1.993600666220098
Energy: 1.7242736553951197
Energy: 1.7185387151753746
Energy: 1.6302553501604757
Energy: 1.7231343440680948
Energy: 1.7209343047288623
Energy: 2.0303160454213973
Energy: 1.7251837531572216
Energy: 1.7189848675460357
Energy: 2.0270730018063974
Energy: 1.7216361466930654
Energy: 2.104051357566641
Energy: 2.071045372151624
Energy: 2.0321984781051445
Energy: 1.7211461697890005
Energy: 2.109925211493795
Energy: 1.7227844839220086
Energy: 2.0270915887475267
Energy: 2.004540151861619
Energy: 1.9945842507809834
Energy: 2.001896788942048
Energy: 2.0210995387617197
Energy: 1.9932079997242784
Energy: 1.994365716218447
Energy: 1.9948738672624438
Energy: 1.993825558391583
Energy: 2.0003253133233807
Energy: 2.0007096637559094
Energy: 2.010816120849689
Energy: 1.99324765387392
Energy: 2.3468976443388847
Energy: 2.0278553541096813
Energy: 1.9922791967094842
Energy: 2.001430082781925
Energy: 1.7223229479180273
Energy: 2.693605283680966

minimum gb energy = 1.6300214647195646 eV
minimum distance =  2.41157427607109 Angstroms
sigma value = 11


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

Energy: 3.0609779776336774
Energy: 2.1298051994724343
Energy: 2.2636149320734575
Energy: 2.265667191542933
Energy: 2.264915462517602
Energy: 2.677576049301871
Energy: 2.0107235804348886
Energy: 2.6436038722170796
Energy: 2.3150047930328332
Energy: 2.339547755339183
Energy: 2.2056039485171426
Energy: 1.9100629847383883
Energy: 1.9083102272832801
Energy: 1.929168186156945
Energy: 2.226389558009508
Energy: 2.187414383285603
Energy: 2.227910058789908
Energy: 1.910264115919527
Energy: 1.9095834174010071
Energy: 1.9705707775222105
Energy: 1.9097307559563597
Energy: 2.1688867306460216
Energy: 1.9085253396013766
Energy: 1.9092910370446787
Energy: 1.9136379569390547
Energy: 1.9707098215300165
Energy: 1.9706048612917888
Energy: 2.3393714254834896
Energy: 1.9710554946271635
Energy: 1.9090993293979914
Energy: 1.91818610521135
Energy: 1.90885071173032
Energy: 2.3394297980025756
Energy: 2.3402059722936293
Energy: 2.2565471876917536
Energy: 1.9137378386683501
Energy: 2.3170238291839156
Energy: 2.1373070386172817
Energy: 2.32430607967974
Energy: 2.3064943737833077
Energy: 2.3831287280749387
Energy: 2.1519513738817646
Energy: 2.327135501217
Energy: 2.0278412382498026
Energy: 2.168065696276828
Energy: 2.2627347963137443
Energy: 2.2233534118471447
Energy: 2.49282074513844
Energy: 2.021630709204022
Energy: 1.9089793285765928
Energy: 2.4203938586656637
Energy: 2.4308939604415163
Energy: 2.027141284043633
Energy: 2.0233618251538683
Energy: 2.021611554658244
Energy: 2.052840825410838
Energy: 2.1989590547465054
Energy: 2.4308124661764987
Energy: 1.9084091062167958
Energy: 2.021869677240223
Energy: 2.046990201565068
Energy: 2.1569042973587216
Energy: 2.030836510727105
Energy: 2.0496265681401122
Energy: 2.2336924621752807
Energy: 2.1371173891083215
Energy: 2.0479370885646064
Energy: 2.0293256260695487
Energy: 2.1385647188685777
Energy: 2.047223289623972
Energy: 2.2345110917779176
Energy: 2.1362898698262933
Energy: 2.1634250007051063
Energy: 2.233533682747211
Energy: 2.0525436733199665
Energy: 2.049798578123372
Energy: 2.1569691171308483
Energy: 2.028355515025078
Energy: 2.3340301060124813
Energy: 2.0221956471010545
Energy: 2.0216298011610867
Energy: 2.024519519076117
Energy: 2.0218753208484834
Energy: 2.023163082835209
Energy: 2.1711364596962706
Energy: 2.1999129196932836
Energy: 2.377541376492326
Energy: 2.0227114930331913
Energy: 2.410411689532597
Energy: 2.2612008394366105
Energy: 2.266846555451046
Energy: 2.264065317442374
Energy: 2.1257841758886658
Energy: 2.426076520441915
Energy: 2.3554811062202634
Energy: 2.2648213292941297
Energy: 2.3416225560983235
Energy: 2.354360824354464
Energy: 2.6429401172877807
Energy: 1.9010712531551837
Energy: 2.199061377895821
Energy: 2.315424664308559
Energy: 2.2491365217620176
Energy: 2.227630860449894
Energy: 1.909558630937641
Energy: 1.9089685666996943
Energy: 1.9698528992832436
Energy: 2.2494334010334653
Energy: 2.341514561671805
Energy: 1.9087680240195937
Energy: 1.9748011490051485
Energy: 1.9100993031709042
Energy: 1.9730975166029672
Energy: 2.2635290523215206
Energy: 2.340080608132647
Energy: 1.9709254126372904
Energy: 1.9694262269977785
Energy: 1.920244222030095
Energy: 1.971352286967061
Energy: 2.227427730680834
Energy: 2.3404195067765285
Energy: 2.047367054981441
Energy: 1.9091039253325557
Energy: 1.9180618978524324
Energy: 2.2256497398085577
Energy: 2.3395624086411075
Energy: 2.3331556724492697
Energy: 2.275988899073528
Energy: 2.593099737834767
Energy: 2.3173937778667955
Energy: 2.0305174502375225
Energy: 2.3389079650585862
Energy: 2.2631574531102974
Energy: 2.1679786182231515
Energy: 2.4592237932967747
Energy: 2.2758507658040905
Energy: 2.2346863204172394
Energy: 2.2866811443132606
Energy: 2.428940418250696
Energy: 2.4709452717763694
Energy: 1.9087678095776146
Energy: 2.0230783733765603
Energy: 1.9122580237178648
Energy: 2.3241506506277045
Energy: 2.431619525161198
Energy: 1.9182144035154545
Energy: 2.021054497058782
Energy: 2.0202452763316296
Energy: 2.052848199263936
Energy: 2.324171572998579
Energy: 2.0215561941927285
Energy: 2.234061120649156
Energy: 2.1367913041801887
Energy: 2.0461422388718558
Energy: 2.2356123489052933
Energy: 2.0273737175171367
Energy: 2.049603273375373
Energy: 2.157273554811041
Energy: 2.157751779536504
Energy: 2.050132814714281
Energy: 2.0311809895714674
Energy: 2.135016702081963
Energy: 2.0497791201557387
Energy: 2.051968125888925
Energy: 2.0324305494375774
Energy: 2.021907269787512
Energy: 2.2340088957123316
Energy: 2.0511139211311256
Energy: 2.021318962891949
Energy: 2.021250496816502
Energy: 2.0220736638943797
Energy: 2.334204632897625
Energy: 2.02306257143637
Energy: 2.0205684668742605
Energy: 2.02476818193847
Energy: 2.3780064952880595
Energy: 2.2863198603517554
Energy: 2.1709901600847235
Energy: 2.200101257374607
Energy: 2.029133433327226
Energy: 2.4233860071509428
Energy: 2.167713016707144
Energy: 2.2856339597453186
Energy: 2.2654743873555367
Energy: 2.251837444716904
Energy: 2.418499766747146

minimum gb energy = 1.9010712531551837 eV
minimum distance =  2.4540671759758 Angstroms
sigma value = 57


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

Energy: 3.1949126925054157
Energy: 1.9626306877871462
Energy: 2.1016818312839356
Energy: 2.100444488050823
Energy: 2.1016717020096163
Energy: 3.033272844763157
Energy: 2.2543565176982194
Energy: 2.0860322533692512
Energy: 2.0825684019378152
Energy: 2.2941476567332515
Energy: 2.0490179547530047
Energy: 2.088595042244051
Energy: 1.9132134682507875
Energy: 2.0262937641964385
Energy: 2.0836006723551397
Energy: 1.8970838222557427
Energy: 2.084598641630519
Energy: 1.9201488493425598
Energy: 1.917451847094811
Energy: 2.0245832064267746
Energy: 2.1144292562485005
Energy: 1.9198528409971225
Energy: 2.1151082997256454
Energy: 1.919430786475258
Energy: 1.9207115022610972
Energy: 2.022743403638895
Energy: 2.0832825191081263
Energy: 2.1045313181459777
Energy: 2.083211670082623
Energy: 2.02344810035623
Energy: 1.9184453297901427
Energy: 2.0851185787661004
Energy: 2.571610913409393
Energy: 2.1031338148570793
Energy: 2.0832562866180315
Energy: 2.0826682559746033
Energy: 2.105008219845924
Energy: 2.0475946637451687
Energy: 2.102834847829577
Energy: 2.107099992910387
Energy: 2.1117159277770687
Energy: 2.085283262595505
Energy: 2.10477844062422
Energy: 2.0831493143925313
Energy: 2.0930201096711136
Energy: 2.091153625200144
Energy: 2.3740762729748512
Energy: 2.1050790433521125
Energy: 2.0915266788110856
Energy: 2.082775600074161
Energy: 2.261763590002697
Energy: 2.252949269192948
Energy: 2.0839303946565924
Energy: 1.921000849727595
Energy: 2.105847206218224
Energy: 2.0840634530655673
Energy: 2.26239779674687
Energy: 2.253652247844994
Energy: 2.0838640569268647
Energy: 1.9135797862705994
Energy: 1.8960451407288113
Energy: 2.0838237387258056
Energy: 2.0821966750589236
Energy: 1.9185672653358168
Energy: 2.0838300042272997
Energy: 2.0919832243375156
Energy: 1.9014306610048846
Energy: 2.0842444313933184
Energy: 2.02367595065082
Energy: 1.9170617591211305
Energy: 2.0235467102094398
Energy: 2.0467588899036744
Energy: 1.9206237099723689
Energy: 2.1166079846638155
Energy: 2.023257990264579
Energy: 1.9167965334475778
Energy: 2.0217207636948253
Energy: 2.1150841036533947
Energy: 2.2906932579669452
Energy: 2.0849785326865984
Energy: 1.913343955740024
Energy: 1.9184109439811756
Energy: 2.022612608098477
Energy: 2.1104638988913607
Energy: 2.2940680577093295
Energy: 2.08406426520266
Energy: 2.082056396812327
Energy: 1.919489904669413
Energy: 2.0857704399588095
Energy: 2.1025054399658947
Energy: 2.105378380066379
Energy: 2.1010874070576797
Energy: 2.102246401659077
Energy: 2.381137700218613
Energy: 2.1081130198863645
Energy: 2.101766865534665
Energy: 2.2542889663626373
Energy: 2.0872559090697766
Energy: 2.0850872895067556
Energy: 2.0901650672752146
Energy: 2.0842114323310748
Energy: 2.112015767418903

minimum gb energy = 1.8960451407288113 eV
minimum distance =  2.46846607139112 Angstroms
sigma value = 9


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

Energy: 3.460263576110919
Energy: 2.114753203909932
Energy: 2.129783298818556
Energy: 2.133478257283706
Energy: 2.1266418932714566
Energy: 2.113806895608305
Energy: 2.0682377656793958
Energy: 2.0417287480238686
Energy: 2.291292279287454
Energy: 2.1261215273530163
Energy: 2.0402912515938
Energy: 2.292356420742308
Energy: 2.038004888568652
Energy: 2.032447736729361
Energy: 2.319588342342774
Energy: 2.0734067957065725
Energy: 2.032971216644774
Energy: 2.030676831697862
Energy: 2.028888984886203
Energy: 2.0338636027744035
Energy: 2.1911394461541596
Energy: 2.0421400133014402
Energy: 2.2944625504177405
Energy: 2.02990822485629
Energy: 2.076972658010492
Energy: 2.09425106209944
Energy: 2.0851103718608197
Energy: 2.0342048955532563
Energy: 2.0925450186452608
Energy: 2.192678454868328
Energy: 2.033549083879114
Energy: 2.1899324016123
Energy: 2.191201194486467
Energy: 2.029541551388045
Energy: 2.2007343555705194
Energy: 2.1437726588161143
Energy: 2.1304666114575608
Energy: 2.032354552026904
Energy: 2.0340022069330477
Energy: 2.033767850104812
Energy: 2.0835854800451363
Energy: 2.190079826645958
Energy: 2.129978974056649
Energy: 2.2630803919768514
Energy: 2.104879267854416
Energy: 2.030531304837425
Energy: 2.1195838910240274
Energy: 2.2924053482169007
Energy: 2.1291577633693266
Energy: 2.127287332960678
Energy: 2.44586380553099
Energy: 2.1242031241078148
Energy: 2.262886207023793
Energy: 2.1266030915298817
Energy: 2.128477914190843
Energy: 2.2917004283977924
Energy: 2.45416041803242
Energy: 2.124030903705108
Energy: 2.2631866757220065
Energy: 2.291283769373945
Energy: 2.1594035570180594
Energy: 2.2620290776612695
Energy: 2.128279516901582
Energy: 2.1265385892375606
Energy: 2.0297839636632706
Energy: 2.077367243566597
Energy: 2.160059983958123
Energy: 2.263742222995611
Energy: 2.127043144352695
Energy: 2.1305557429232196
Energy: 2.2656466447093164
Energy: 2.0647616751386546
Energy: 2.0301973121963584
Energy: 2.201674398635733
Energy: 2.2624972062011857
Energy: 2.0723340877314347
Energy: 2.2627680972744217
Energy: 2.2002884491705474
Energy: 2.032955368108008
Energy: 2.0344115530984705
Energy: 2.244277249873253
Energy: 2.071523165304118
Energy: 2.0313136644467007
Energy: 2.031930654875014
Energy: 2.02975911652547
Energy: 2.1991634289907687
Energy: 2.1461675417631763
Energy: 2.032008236745387
Energy: 2.1902674179888946
Energy: 2.18587217761867
Energy: 2.0293323192263686
Energy: 2.183158694540588
Energy: 2.199743237502764
Energy: 2.0307605460086346
Energy: 2.092289250346653
Energy: 2.1456590237381685
Energy: 2.0427946465549254
Energy: 2.1868573924997596
Energy: 2.0372633085328538
Energy: 2.0333266150054037
Energy: 2.0320602235128606
Energy: 2.1906139117198533
Energy: 2.129908393043781
Energy: 2.262460032738839
Energy: 2.032240598468262
Energy: 2.029400321020335
Energy: 2.087626848517432
Energy: 2.261792612160576
Energy: 2.1318735401658606
Energy: 2.0413046452691965
Energy: 2.2928635311226664
Energy: 2.120765132958575
Energy: 2.2622016185926217
Energy: 2.1274418054796427
Energy: 2.1285545479777195
Energy: 2.128045023486337
Energy: 2.127952711532593
Energy: 2.125195320245217
Energy: 2.1270033380418703
Energy: 2.1276045908480747
Energy: 2.1594563679508854
Energy: 2.0405996605368006
Energy: 2.2917178698156695
Energy: 2.1286249294204627
Energy: 2.040573215312047
Energy: 2.0430224883681207

minimum gb energy = 2.028888984886203 eV
minimum distance =  2.44550897357626 Angstroms
sigma value = 27


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

Energy: 2.1977537673953007
Energy: 2.134669677484496
Energy: 2.1193198769804678
Energy: 2.124729018820661
Energy: 2.1181060847188267
Energy: 2.134613391211528
Energy: 2.0396622655884995
Energy: 2.3335891126422936
Energy: 2.1395052646064996
Energy: 2.1931240534846976
Energy: 2.1404313762989013
Energy: 2.0799995542778658
Energy: 2.076203940542368
Energy: 2.0753986624620944
Energy: 2.4972978762604368
Energy: 2.501135312313147
Energy: 2.0709821171758462
Energy: 2.072310869150651
Energy: 2.0975934400083123
Energy: 2.095301875803637
Energy: 2.3402386765606695
Energy: 2.0407079406098325
Energy: 2.202517525940077
Energy: 2.0944935626988155
Energy: 2.1055952308234738
Energy: 2.180527860389449
Energy: 2.1427150040630556
Energy: 2.0417550602639327
Energy: 2.1289848473055923
Energy: 2.2859123816385694
Energy: 2.0763666622882306
Energy: 2.303749588638986
Energy: 2.13054774812796
Energy: 2.0401748217847486
Energy: 2.134436824296751
Energy: 2.301155699224388
Energy: 2.082001525498391
Energy: 2.170914367574281
Energy: 2.1331199639751914
Energy: 2.1012579970585064
Energy: 2.162197069661928
Energy: 2.2281583863316574
Energy: 2.0825386556519976
Energy: 2.3263262299764786
Energy: 2.048568385225305
Energy: 2.0266696041829615
Energy: 2.371309447483671
Energy: 2.0838562199763877
Energy: 2.082659271933437
Energy: 2.08526816943278
Energy: 2.0850676664703793
Energy: 2.144049013468479
Energy: 2.0862832883617037
Energy: 2.0828502044977846
Energy: 2.028567522028429
Energy: 2.247672275128285
Energy: 2.0257710044879147
Energy: 2.1211575269520715
Energy: 2.0316686057629947
Energy: 2.245590402631204
Energy: 2.1624082274492484
Energy: 2.370154729243113
Energy: 2.122108448299038
Energy: 2.122528189965615
Energy: 2.122651848224135
Energy: 2.0855811155021886
Energy: 2.163820705832158
Energy: 2.370169231530079
Energy: 2.1068519543194504
Energy: 2.1056973152398997
Energy: 1.9981986768741722
Energy: 2.075005517066152
Energy: 2.0135108153866432
Energy: 2.245592242971388
Energy: 2.0752711077416435
Energy: 2.0739693449223298
Energy: 2.083332999716732
Energy: 2.0128835366547686
Energy: 2.0944153193614254
Energy: 2.1227234982038525
Energy: 1.9891076807650532
Energy: 2.1179464258892664
Energy: 2.0741293888769428
Energy: 2.1220194874275307
Energy: 2.118963777850181
Energy: 2.370047444962607
Energy: 2.051252309360471
Energy: 2.039762082416281
Energy: 2.05069269305352
Energy: 2.497353568096655
Energy: 2.1147106596481464
Energy: 2.2247981577782525
Energy: 2.0612024970543943
Energy: 2.059748369082379
Energy: 2.028736001809889
Energy: 2.141727932265264
Energy: 2.0399576725644626
Energy: 2.1902301142023366
Energy: 2.228188673574521
Energy: 2.0212618619776115
Energy: 2.269355367024257
Energy: 2.0296979916741726
Energy: 2.0383945128967347
Energy: 2.1611852836460095
Energy: 2.0274311370414746
Energy: 2.0481021434385744
Energy: 2.1979246761530034
Energy: 2.141846456615337
Energy: 2.038194745004912
Energy: 2.205406603413812
Energy: 2.181589419722483
Energy: 2.078533622305857
Energy: 2.321354866476644
Energy: 2.1669410295118654
Energy: 2.0431307835871433
Energy: 2.1553631939219073
Energy: 2.281341462566659
Energy: 2.079533405004902
Energy: 2.292137322500325
Energy: 2.163031447778571
Energy: 2.1093379824496354
Energy: 2.4094472473139446
Energy: 2.0794695139958104
Energy: 2.080920327204151
Energy: 2.080374760858871
Energy: 2.4083747060382747
Energy: 2.0654434041601006
Energy: 2.3303584342100385
Energy: 2.0503798506714617
Energy: 2.0322357708137244
Energy: 2.048923374040736
Energy: 2.329309615050102
Energy: 2.1693302376978716
Energy: 2.3622941458323856
Energy: 2.0956392385767857
Energy: 2.1630075507795308
Energy: 2.34801814840422
Energy: 2.1661792754375715
Energy: 2.1427323738614636
Energy: 2.2052479683502972
Energy: 2.1092565894141577
Energy: 2.142572341319953
Energy: 2.1140295136134606
Energy: 2.204698963810167
Energy: 2.105267467345308
Energy: 2.385460650323392
Energy: 2.284522999647847
Energy: 2.114665123854656
Energy: 2.2563995562475516
Energy: 2.0212555678151745

minimum gb energy = 1.9891076807650532 eV
minimum distance =  2.44159101636105 Angstroms
sigma value = 19


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

Energy: 2.082778589411883
Energy: 1.9567001901865726
Energy: 2.0296939566375745
Energy: 2.0324880277626005
Energy: 2.0289621117904084
Energy: 2.105049223877351
Energy: 2.038312264216317
Energy: 2.023062864404986
Energy: 2.0218563220572214
Energy: 2.0974587408467444
Energy: 1.9513653708902112
Energy: 2.119607201610228
Energy: 1.948277488268339
Energy: 1.9472219889202722
Energy: 2.230055777076359
Energy: 2.393134025393764
Energy: 1.948309708802206
Energy: 1.9477603484405035
Energy: 2.00386704776359
Energy: 1.9321532631225011
Energy: 2.170837466799271
Energy: 1.9506168927369552
Energy: 2.123712602620917
Energy: 1.9486336103616715
Energy: 1.9289034115341093
Energy: 2.131031337546538
Energy: 2.026186748157574
Energy: 1.9274579733348798
Energy: 2.0283741148990133
Energy: 2.083987720303902
Energy: 1.8991233787154052
Energy: 2.2129110586845084
Energy: 1.9273831069460519
Energy: 1.9281893312471758
Energy: 2.0275203765909824
Energy: 2.085266710595641
Energy: 1.9263730756108928
Energy: 2.09326642580879
Energy: 2.092146398992255
Energy: 2.0124303540286044
Energy: 2.092698098799836
Energy: 2.091927618565439
Energy: 1.9260087481511916
Energy: 2.0916602988799213
Energy: 2.2033865517880744
Energy: 1.902165265840452
Energy: 2.215421262045049
Energy: 1.926810622151377
Energy: 1.9445201054884074
Energy: 2.0283278724774374
Energy: 2.084455273115583
Energy: 1.941644652854215
Energy: 2.0849443085311585
Energy: 2.0309695497324705
Energy: 1.9263034761511904
Energy: 2.1442638976745108
Energy: 1.9404045406452812
Energy: 2.00411618532896
Energy: 2.248108103218345
Energy: 1.9105849178032959
Energy: 1.937074053825094
Energy: 1.9488137758319812
Energy: 1.9410182763281438
Energy: 1.947705719785108
Energy: 1.9409631655863946
Energy: 1.9407469836955593
Energy: 2.101726223551012
Energy: 1.9406944081338664
Energy: 2.184425783227983
Energy: 1.9417929680528772
Energy: 2.0477720350814765
Energy: 1.9506670337347995
Energy: 2.031571568437874
Energy: 2.0290393317468505
Energy: 2.010675940436873
Energy: 2.0365286954209494
Energy: 1.9403924563097565
Energy: 2.0288951204331096
Energy: 2.0301514932560654
Energy: 1.951134081538638
Energy: 1.95195254541816
Energy: 2.0241925849621643
Energy: 1.9477964921745095
Energy: 2.2039754708507058
Energy: 1.9452860203359228
Energy: 1.9369608696417733
Energy: 2.028665099064936
Energy: 2.0292438169803804
Energy: 1.9407236023611922
Energy: 2.013537000607934
Energy: 2.034718296080297
Energy: 1.9760708373586768
Energy: 2.0232581508833145
Energy: 2.0975668625660524
Energy: 2.2975316166332402
Energy: 1.9288631686186988
Energy: 1.9405529002015636
Energy: 1.914090641824958
Energy: 1.933534570450586
Energy: 1.9474767378480995
Energy: 1.9476343421635904
Energy: 1.9464559690885668
Energy: 2.003909301278529
Energy: 1.8934714541149615
Energy: 2.111731742467182
Energy: 2.073167105597858
Energy: 2.1877866433152278
Energy: 1.915806464733071
Energy: 1.9292327579963788
Energy: 2.1319750310110566
Energy: 1.9104760762067163
Energy: 1.9261006536509309
Energy: 2.0841407531214924
Energy: 2.2460595906416883
Energy: 2.0045985348456
Energy: 2.213070640630061
Energy: 2.0289713874095416
Energy: 1.925941744832849
Energy: 2.027505512400237
Energy: 2.084698599222056
Energy: 1.9290322657080874
Energy: 2.1563569126996387
Energy: 2.091926566851101
Energy: 1.9266149063706797
Energy: 2.0929978954295145
Energy: 1.8995177885251677
Energy: 1.9263349780294505
Energy: 2.0917652479905224
Energy: 2.0642520224324326
Energy: 1.928757346666356
Energy: 2.156452714594152
Energy: 2.092407107878707
Energy: 1.926512935135168
Energy: 2.028784352489867
Energy: 2.205521859863807
Energy: 2.004219355712181
Energy: 2.028668700600983
Energy: 2.0319157102279473
Energy: 1.9261722499305196
Energy: 1.943680956402401
Energy: 2.2485762087114325
Energy: 1.9416108995563572
Energy: 2.249780445532852
Energy: 1.9434593286730124
Energy: 2.0227890344620723
Energy: 2.0845418879635753
Energy: 1.9727535693359683
Energy: 2.0059682882735217
Energy: 2.005674247653301
Energy: 1.9265417225217734
Energy: 1.9367290141223186
Energy: 1.9476931937776267
Energy: 1.9147111825293672
Energy: 1.9403467964505543
Energy: 2.133275762450425
Energy: 2.0052911542444205
Energy: 2.1005176830486847
Energy: 2.029139825209536
Energy: 1.9400190916667546
Energy: 2.0371393095967836
Energy: 2.249518071307823
Energy: 2.0292032617846325
Energy: 2.0294490432349495
Energy: 2.2037046494906667
Energy: 1.9127935923129586
Energy: 2.036905692800486
Energy: 2.2429100376903746
Energy: 2.2031760119250032
Energy: 1.9455907467036913
Energy: 2.2441907313997773
Energy: 2.2043786511011483
Energy: 2.028786414883204
Energy: 2.133536633975099
Energy: 1.8999453516478924

minimum gb energy = 1.8934714541149615 eV
minimum distance =  2.45219129748977 Angstroms
sigma value = 101


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

Energy: 2.034271668434765
Energy: 1.902700750425504
Energy: 1.9880182544813632
Energy: 1.9893573914632419
Energy: 1.9884505827532994
Energy: 2.380559078058714
Energy: 1.9723584854879983
Energy: 1.8973476568638836
Energy: 1.858395564050579
Energy: 2.001237096606876
Energy: 1.8309491913639049
Energy: 2.0301535465620257
Energy: 1.8593560650631111
Energy: 1.8321278118148439
Energy: 1.8380798606184905
Energy: 2.3885738692215823
Energy: 1.8569450714789715
Energy: 1.859262642193457
Energy: 1.855970158997033
Energy: 1.8294895382552132
Energy: 1.829503551144827
Energy: 1.8699318911707865
Energy: 1.8264109076770227
Energy: 1.8584690923465186
Energy: 1.8093096651343425
Energy: 2.0224796047772298
Energy: 1.8310234545234312
Energy: 1.8355686492372583
Energy: 1.835032116762104
Energy: 2.106501541260644
Energy: 1.8294280632488333
Energy: 2.1587330603236023
Energy: 1.8309107133290938
Energy: 1.8717942290736718
Energy: 1.8298946225626664
Energy: 1.8287764163364415
Energy: 1.8390756835567996
Energy: 2.0333162584942497
Energy: 2.067459289172613
Energy: 2.0676728815758394
Energy: 2.0800519404939584
Energy: 2.028604249415469
Energy: 1.8384271921612623
Energy: 2.0314812734726635
Energy: 2.13633698405456
Energy: 1.8166237866252097
Energy: 2.1508039334455638
Energy: 1.836923680716036
Energy: 1.886572790550543
Energy: 2.0329095453831023
Energy: 2.066516895656391
Energy: 1.8692223387694373
Energy: 2.090731335543083
Energy: 2.0312103272077158
Energy: 1.8330180390183461
Energy: 2.157884439093558
Energy: 1.8332215759837518
Energy: 1.8685707608461348
Energy: 2.066463421154351
Energy: 1.8284123996903232
Energy: 1.8980026830205312
Energy: 2.023192948567059
Energy: 1.8347830533737632
Energy: 1.8303507993733907
Energy: 1.8333039254991
Energy: 2.0230139182612694
Energy: 1.8586135418241239
Energy: 2.021984276878124
Energy: 1.9288742404486354
Energy: 1.869482197256475
Energy: 1.9288907520653087
Energy: 1.8570980732325877
Energy: 1.8589696811197107
Energy: 1.8598536123934861
Energy: 1.857530726314817
Energy: 1.8538734846492764
Energy: 1.8603730166329404
Energy: 1.859121963553076
Energy: 1.8565684450045976
Energy: 2.130449284771219
Energy: 1.8304234819149219
Energy: 1.8534755020073437
Energy: 1.8577832992492944
Energy: 2.127669784650352
Energy: 1.965468551742184
Energy: 2.20599929137803
Energy: 1.9876610946967015
Energy: 1.989830850696665
Energy: 1.9868411366520957
Energy: 1.8686105596782288
Energy: 1.9284063897761385
Energy: 1.9288642493258155
Energy: 2.1555431630903654
Energy: 1.9553155131661466
Energy: 1.8655308657148462
Energy: 1.8905550297771079
Energy: 1.9880477946388977
Energy: 1.8574231025127832
Energy: 1.8994159478528414
Energy: 1.8970293470070738
Energy: 1.8576894716335417
Energy: 1.9871882249999457
Energy: 1.9880018899937677
Energy: 1.8733404112417593
Energy: 1.8897039436278944
Energy: 1.9319900083813377
Energy: 1.870428140673394
Energy: 1.9885326364858336
Energy: 1.898976819539896
Energy: 1.8652834882696827
Energy: 2.0330409122811455
Energy: 1.8595650033096414
Energy: 1.8584239413682593
Energy: 1.8104541833142014
Energy: 1.9063814416380342
Energy: 1.8264501171802616
Energy: 1.8598856457103274
Energy: 1.859097825300647
Energy: 1.8282598588673271
Energy: 2.1522977681252144
Energy: 1.8301158589683122
Energy: 1.8336768791006475
Energy: 2.0245755311363554
Energy: 1.8084719338581876
Energy: 2.025838175261034
Energy: 1.834441566038131
Energy: 1.8694069076513657
Energy: 1.8311926897381263
Energy: 2.157567984451914
Energy: 1.8588923576661738
Energy: 2.160223712405481
Energy: 1.8314484308369088
Energy: 1.8705754208272645
Energy: 2.0686031191964256
Energy: 1.8880964785794148
Energy: 1.838917905446263
Energy: 2.0512078441974255
Energy: 2.066959913866612
Energy: 1.8731898474326532
Energy: 2.1352881844141463
Energy: 2.0331264905397957
Energy: 1.837683222769638
Energy: 2.0352754099902453
Energy: 1.814581401841621
Energy: 1.8690321880623657
Energy: 2.061811170066193
Energy: 2.0323467540140663
Energy: 1.8374550251175192
Energy: 2.0341661880100737
Energy: 1.830617002342095
Energy: 1.8301424179704688
Energy: 2.0664811967218557
Energy: 1.8293278484158073
Energy: 1.839677099991823
Energy: 2.136905571632289
Energy: 2.067868692921278
Energy: 1.8317277395160336
Energy: 1.8346315747662685
Energy: 2.158288398761409
Energy: 1.8575489897122137
Energy: 1.817820896232054
Energy: 1.830591939607893
Energy: 1.869092278068358
Energy: 1.8335887669563493
Energy: 2.253622180799547
Energy: 1.8989450122457077
Energy: 2.252257456916039
Energy: 1.8340953415880932
Energy: 1.854156562095865
Energy: 1.856509493429377
Energy: 1.8588517423000703
Energy: 1.8622264516911178
Energy: 1.9305216473237286
Energy: 1.83076727840452
Energy: 1.85467083575959
Energy: 1.8593317534661677
Energy: 2.1280453013199967
Energy: 1.8571250081238029
Energy: 1.930051980054856
Energy: 1.8301467250134502
Energy: 1.9894570270612328
Energy: 1.9877687709711762
Energy: 2.2090688288419336
Energy: 1.9668100986481607
Energy: 2.289929580137957
Energy: 1.987578917783585
Energy: 1.9879409069955523
Energy: 2.1539545954869412
Energy: 2.2064477824916144
Energy: 1.9668929660547194
Energy: 2.205411103754427
Energy: 2.15411251764691
Energy: 1.8970522111344363
Energy: 1.8588331919905066
Energy: 2.029068528856391
Energy: 1.9871492195391693
Energy: 2.031230393699859
Energy: 1.8084915006419462

minimum gb energy = 1.8084719338581876 eV
minimum distance =  2.4820618735415 Angstroms
sigma value = 33


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

Energy: 0.019613164435766908
Energy: 0.020168406934895744
Energy: 28.208389915952683
Energy: 2.4991909618327957
Energy: 28.057348585513257
Energy: 0.02035260969955004
Energy: 0.020260084220010223
Energy: 46.04140965841497
Energy: 1.022801687971861
Energy: 6.140429113418657
Energy: 46.166072219763
Energy: 0.8662257035356328
Energy: 2.341086946126112
Energy: 28.087020427831103
Energy: 0.02035160910406913
Energy: 0.019839558672318326
Energy: 27.892570162431724
Energy: 1.2768550136970291
Energy: 0.9093364518049145
Energy: 46.00666756354148
Energy: 0.9704687254115422
Energy: 0.8275652720296515
Energy: 46.08237447038417
Energy: 0.8646428668017219

minimum gb energy = 0.019613164435766908 eV
minimum distance =  2.61057458264945 Angstroms
sigma value = 1