Model name: model_name=EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639087408781052
cohesive_energy=3.2833744154333835
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.73717167551414e-19, 4.54998937936392e-19, 4.3300425710483994e-19, 4.07683457581104e-19, 3.7877698675047594e-19, 3.45722480614422e-19, 3.0754100924956794e-19, 2.62777796272242e-19, 2.0922664445742599e-19, 1.4343870838277158e-19, 6.110493399113579e-20, -4.4746390122669e-20, -1.89358052019192e-19, -4.0485401364545996e-19, -7.605612590429699e-19, -1.415377258065306e-18, -2.74755668788026e-18, -5.5916445179590196e-18, -1.1628261552478859e-17, -2.5767326151631798e-17, -6.40369172313558e-17, -1.9111243543342197e-16]
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: 0.012495484515204169
Energy: 0.10671258236570161
Energy: 0.7175080987449581
Energy: 0.012694579194829811
Energy: 0.1067125823578617
Energy: 1.0115633485078437
Energy: 0.10671258236147219
Energy: 1.011563348505437
Energy: 0.7175080987455426
Energy: 0.10671258236449811
Energy: 0.012495484515204169
Energy: 0.10671258236209112
Energy: 0.012694579194829811
Energy: 1.0115633485036144
Energy: 0.10671258236147219
Energy: 1.011563348505437

minimum gb energy = 0.012495484515204169 eV
minimum distance =  2.54841917895027 Angstroms
sigma value = 1


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

Energy: 1.2987543195008793
Energy: 0.8452857992685515
Energy: 0.846321547136415
Energy: 0.8066568468378679
Energy: 0.8271443478987385
Energy: 0.8918485989368837
Energy: 0.8261712322271638
Energy: 0.8918485989368837
Energy: 0.844577398035652
Energy: 0.8455411010496301
Energy: 1.4156469463801913
Energy: 0.8455411010503808
Energy: 0.8293996902595075
Energy: 0.8262798374710891
Energy: 0.8264031592588484
Energy: 0.8262798374695879
Energy: 1.203022350355461
Energy: 0.8260781043290578
Energy: 0.8259898559241237
Energy: 0.8260781043290578
Energy: 0.8845889841383273
Energy: 0.9340131502556768
Energy: 0.8265970172851785
Energy: 0.9340131502549261
Energy: 0.8851728831086547
Energy: 0.9323990232731505
Energy: 1.2021959721107973
Energy: 0.9323990232739011
Energy: 0.882277650191706
Energy: 0.8303146736756241
Energy: 0.9079739068530408
Energy: 0.8303146736756241
Energy: 1.0284359713747133
Energy: 1.0088445739063265
Energy: 0.9061742659286991
Energy: 1.008844573907828
Energy: 0.9071829889353484
Energy: 0.9760343769423584
Energy: 0.9056731136643257
Energy: 0.9760343769408572
Energy: 0.9043175446713899
Energy: 1.010560400641018
Energy: 1.0287060313187342
Energy: 1.010560400641018
Energy: 0.8824677597671423
Energy: 1.0090494260417704
Energy: 0.9074372884758205
Energy: 1.0090494260417704
Energy: 0.9005834186246515
Energy: 0.93246370566915
Energy: 0.9042838974367425
Energy: 0.9324637056676487
Energy: 0.8849082190291808
Energy: 0.9332104411368201
Energy: 0.8796842134448094
Energy: 0.9332104411353189
Energy: 0.8512326385887571
Energy: 0.8259208263132712
Energy: 0.826535507555158
Energy: 0.8259208263140219
Energy: 0.855486938545253
Energy: 0.8263865682329163
Energy: 0.8264665790047958
Energy: 0.8263865682329163
Energy: 0.8447789534124576
Energy: 0.8442242774217547
Energy: 0.804761371527677
Energy: 0.8442242774225054
Energy: 0.8265166298075949
Energy: 0.8305281311746461
Energy: 0.8496308584904063
Energy: 0.8305281311731448
Energy: 0.8257591168758155
Energy: 0.8463092054528879
Energy: 0.8456256463537392
Energy: 0.8463092054521373
Energy: 0.8960714222291488
Energy: 0.8303568887906735
Energy: 0.8464786312013046
Energy: 0.8303568887906735
Energy: 0.8269187620910584
Energy: 0.8264928539915215
Energy: 0.904209633190894
Energy: 0.8264928539885189
Energy: 0.8269955374509463
Energy: 0.8272441067470724
Energy: 0.8846239763648064
Energy: 0.8272441067448204
Energy: 0.8827735951710102
Energy: 0.9325659157854432
Energy: 0.8840234625380363
Energy: 0.9325659157854432
Energy: 0.9083385535369861
Energy: 0.9323754342537814
Energy: 0.8846005859467624
Energy: 0.9323754342552827
Energy: 0.9060655309992561
Energy: 1.0091016072327423
Energy: 1.0284787741543628
Energy: 1.009101607233493
Energy: 0.9071106797719236
Energy: 1.008607170138447
Energy: 0.9084545939166485
Energy: 1.008607170138447
Energy: 1.0293146907487623
Energy: 1.0087048449233846
Energy: 0.9045941677052329
Energy: 1.0087048449233846
Energy: 0.9086822260547215
Energy: 1.0089698397274773
Energy: 0.906645857833574
Energy: 1.0089698397259763
Energy: 0.9042092598112819
Energy: 0.9329943273961482
Energy: 0.9002457122788793
Energy: 0.9329943273931457
Energy: 0.8799153907115649
Energy: 0.9326917987110429
Energy: 0.8849203471029562
Energy: 0.9326917987117935
Energy: 0.8257841510056904
Energy: 0.8257365435415865
Energy: 0.8800765022014523
Energy: 0.8257365435415865
Energy: 0.8263074647711639
Energy: 0.8262470062265723
Energy: 0.855508882990475
Energy: 0.8262470062258215
Energy: 0.803670828321763
Energy: 0.8438677719119763
Energy: 0.8445092577913217
Energy: 0.8438677719112255

minimum gb energy = 0.803670828321763 eV
minimum distance =  2.2685357340356 Angstroms
sigma value = 1


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

Energy: 1.4824355232657451
Energy: 0.8915242622591844
Energy: 0.8926749683614338
Energy: 0.8475098936360976
Energy: 0.8914217670580314
Energy: 0.9399555662826198
Energy: 0.8721248086214339
Energy: 0.9399555662749169
Energy: 0.8911524445810439
Energy: 0.8917758656774304
Energy: 1.3570310196725348
Energy: 0.8917758656740069
Energy: 0.8764672409199018
Energy: 0.8723184218513872
Energy: 0.8719314988406615
Energy: 0.8723184218522431
Energy: 0.9044835734566161
Energy: 0.8726668722954987
Energy: 0.872680458523168
Energy: 0.8726668722972104
Energy: 0.9404040510680198
Energy: 0.9330775161443547
Energy: 0.8723966114598605
Energy: 0.9330775161469224
Energy: 0.9421888429748619
Energy: 0.9959122572034235
Energy: 1.1301725453910458
Energy: 0.9959122572051353
Energy: 0.9407409171503914
Energy: 0.9968594996281473
Energy: 0.9607693516131169
Energy: 0.9968594996298591
Energy: 0.9614075491696565
Energy: 1.0713082049843274
Energy: 0.9583380168552689
Energy: 1.0713082049894627
Energy: 0.9603508211132473
Energy: 1.0426265575148295
Energy: 0.9408354669702529
Energy: 1.0426265575139735
Energy: 0.9563277667797816
Energy: 0.9961009644468205
Energy: 0.9671576489652738
Energy: 0.9961009644485322
Energy: 0.9329489032857644
Energy: 0.996657332380167
Energy: 0.9404464855992173
Energy: 0.996657332386158
Energy: 0.8733981213757337
Energy: 0.8723681312954427
Energy: 0.955671686737911
Energy: 0.872368131292875
Energy: 0.8722746356229878
Energy: 0.8725492604488483
Energy: 0.9029090631366493
Energy: 0.8725492604479924
Energy: 0.8449412397770036
Energy: 0.8907489684869225
Energy: 0.8914120244312089
Energy: 0.8907489684920578
Energy: 0.9006126987312183
Energy: 0.876399664732557
Energy: 0.8914920241097739
Energy: 0.8763996647257102
Energy: 0.8925470781075645
Energy: 0.8927032478937743
Energy: 0.9053329744803257
Energy: 0.892703247895486
Energy: 0.8928227103090532
Energy: 0.8781714119504105
Energy: 0.9487038376379255
Energy: 0.8781714119572573
Energy: 0.8718938214476936
Energy: 0.8724040299919958
Energy: 0.8731427520182222
Energy: 0.8724040299886112
Energy: 0.9406011905574287
Energy: 0.8720234669602892
Energy: 0.8726204158714213
Energy: 0.8720234669628568
Energy: 0.940284648161821
Energy: 0.9960984706577098
Energy: 0.9386381482609639
Energy: 0.9960984706585657
Energy: 0.9410506610644259
Energy: 0.9960194318986136
Energy: 0.9616344151970707
Energy: 0.9960194319046046
Energy: 0.9602123657892896
Energy: 1.0721424239166888
Energy: 0.9034782790458253
Energy: 1.07214242390813
Energy: 0.9602261295604623
Energy: 1.0717797134092768
Energy: 0.9605670549511214
Energy: 1.0717797134101326
Energy: 0.955795524134131
Energy: 0.996251036193492
Energy: 0.9670765912391741
Energy: 0.996251036193492
Energy: 0.9339035622895444
Energy: 0.9963748333585934
Energy: 0.9403952470898691
Energy: 0.9963748333585934
Energy: 0.8724292708678996
Energy: 0.8721721709155292
Energy: 0.933410765566637
Energy: 0.872172170910394
Energy: 0.8723485388882706
Energy: 0.8726436197997317
Energy: 0.9030059260043033
Energy: 0.8726436198005876
Energy: 0.8431175030521801
Energy: 0.8905692709678845
Energy: 0.8911884501103703
Energy: 0.8905692709627494

minimum gb energy = 0.8431175030521801 eV
minimum distance =  2.25916093462183 Angstroms
sigma value = 25


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

Energy: 1.4123222248519245
Energy: 0.9415959840566266
Energy: 0.9423324352564602
Energy: 0.892022645140216
Energy: 0.9417865540824394
Energy: 0.9921973690370257
Energy: 0.9261544783240984
Energy: 0.9921973690370257
Energy: 0.9419368216527227
Energy: 0.941510393296911
Energy: 0.9256284995883993
Energy: 0.941510393296911
Energy: 0.9435302656218886
Energy: 1.0470974195634237
Energy: 0.925931635364993
Energy: 1.047097419562429
Energy: 0.9603047058807256
Energy: 0.9256027943719924
Energy: 0.9271600570549416
Energy: 0.9256027943709976
Energy: 1.006491446412153
Energy: 0.9954991215424135
Energy: 0.9255790983438869
Energy: 0.9954991215444033
Energy: 1.0079889615732331
Energy: 1.0728920634860917
Energy: 1.0054258677911894
Energy: 1.0728920634860917
Energy: 1.0063494817045329
Energy: 1.0742195421088332
Energy: 1.022519210719165
Energy: 1.0742195421078382
Energy: 0.9322172860241517
Energy: 1.0728586445235353
Energy: 1.0201379780533153
Energy: 1.0728586445245303
Energy: 1.0062914619759795
Energy: 1.073235299407733
Energy: 0.9263790410202423
Energy: 1.073235299407733
Energy: 0.8860779194968061
Energy: 0.9257286954824056
Energy: 0.9255410254180603
Energy: 0.9257286954834005
Energy: 0.9547048041073931
Energy: 0.9260455337393724
Energy: 0.9259474408462715
Energy: 0.9260455337403672
Energy: 0.9411142358008566
Energy: 0.941326434262996
Energy: 0.8862642110174542
Energy: 0.941326434262996
Energy: 0.9413324656458845
Energy: 0.9322993479936383
Energy: 0.9646127314119325
Energy: 0.9322993479916485
Energy: 0.92515416190727
Energy: 0.9428159486910138
Energy: 0.9438581723360022
Energy: 0.9428159486910138
Energy: 1.00932100543948
Energy: 0.9325060664635823
Energy: 0.9422749762050284
Energy: 0.9325060664625873
Energy: 0.9257016299059642
Energy: 0.9258269738358357
Energy: 0.9607451394011346
Energy: 0.9258269738338458
Energy: 0.9255338040817782
Energy: 0.9259717979729518
Energy: 1.0066393780932563
Energy: 0.9259717979739467
Energy: 1.0512493643777898
Energy: 1.0729183851487067
Energy: 1.0077909144202934
Energy: 1.0729183851516917
Energy: 1.023937388350699
Energy: 1.0732200812367356
Energy: 1.0069027811763085
Energy: 1.0732200812367356
Energy: 1.0199695978659307
Energy: 1.0726170684503478
Energy: 1.0531117510793262
Energy: 1.0726170684513425
Energy: 1.0203815554869968
Energy: 1.0727676271373454
Energy: 1.0062763264769876
Energy: 1.0727676271373454
Energy: 0.9264585998948607
Energy: 0.9259699996263485
Energy: 0.8867422971585751
Energy: 0.9259699996273434
Energy: 0.9256869519347725
Energy: 0.9258177249037327
Energy: 0.9548739396589841
Energy: 0.9258177249037327
Energy: 0.886338500627951
Energy: 0.9415305156460146
Energy: 0.9416916802651002
Energy: 0.9415305156440248

minimum gb energy = 0.8860779194968061 eV
minimum distance =  2.25415453991175 Angstroms
sigma value = 9


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

Energy: 1.3098988542597574
Energy: 0.9959866849520678
Energy: 0.9970950709307107
Energy: 0.9405509879751747
Energy: 0.9955458498738662
Energy: 1.0474968430915066
Energy: 0.9956139002741339
Energy: 1.0474968430915066
Energy: 0.9966245964050273
Energy: 0.9958375023644527
Energy: 1.015411053848095
Energy: 0.9958375023644527
Energy: 0.9970971408163553
Energy: 1.115630124237069
Energy: 0.9923060812020214
Energy: 1.115630124237069
Energy: 1.0186221571144525
Energy: 0.9921162912882681
Energy: 0.9919681679729531
Energy: 0.9921162912882681
Energy: 1.08995354646365
Energy: 0.9913923016580669
Energy: 0.9924204310285766
Energy: 0.9913923016568801
Energy: 1.0497699158940226
Energy: 1.1359331302671294
Energy: 1.0218669352826537
Energy: 1.1359331302659426
Energy: 1.0216121914333736
Energy: 1.1376728495950241
Energy: 1.0899746511971886
Energy: 1.1376728495914634
Energy: 0.9914468049181969
Energy: 0.9925913740750026
Energy: 0.9298352776721611
Energy: 0.9925913740773494
Energy: 0.9924461547666711
Energy: 0.9923033996791335
Energy: 1.0144774611732568
Energy: 0.9923033996767598
Energy: 0.9295692803736296
Energy: 0.9951528787796011
Energy: 0.9955729325291984
Energy: 0.9951528787784144
Energy: 1.067192241388108
Energy: 0.9983500529821847
Energy: 0.9958425916655619
Energy: 0.9983500529786242
Energy: 0.9953973272230179
Energy: 0.9956267266241251
Energy: 0.9944658478906552
Energy: 0.9956267266253119
Energy: 0.9957127798644818
Energy: 0.9973776564386626
Energy: 1.083073241697275
Energy: 0.9973776564398495
Energy: 1.0183404489592736
Energy: 0.9918840162657777
Energy: 0.9917784387524333
Energy: 0.991884016263404
Energy: 1.0899386628708587
Energy: 0.9921850569693207
Energy: 0.9923520516297452
Energy: 0.9921850569693207
Energy: 1.0512224397943732
Energy: 1.1364472120357074
Energy: 1.0216950522564892
Energy: 1.1364472120357074
Energy: 1.0517594167952045
Energy: 1.135990290832208
Energy: 1.090539860813124
Energy: 1.1359902908286472
Energy: 0.9903773272552623
Energy: 0.9925633580051209
Energy: 0.9304828696751428
Energy: 0.9925633580051209
Energy: 0.9920719636229671
Energy: 0.9920847271229692
Energy: 0.9297688173560039
Energy: 0.9920847271194085
Energy: 0.9296188067562929
Energy: 0.9962353583022104
Energy: 0.9975375130126124
Energy: 0.9962353583033974

minimum gb energy = 0.9295692803736296 eV
minimum distance =  2.25811815796919 Angstroms
sigma value = 25


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

Energy: 1.1751613197461728
Energy: 1.0567262706472182
Energy: 1.057424395894439
Energy: 0.9923277330535731
Energy: 1.0573863028793067
Energy: 1.069630953096092
Energy: 1.0567297387721124
Energy: 1.0696309530975596
Energy: 1.0571751227517625
Energy: 1.056431002219638
Energy: 1.0552423028656017
Energy: 1.056431002219638
Energy: 1.05770178853141
Energy: 1.0693819624352647
Energy: 1.0110378320265334
Energy: 1.0693819624352647
Energy: 1.0746881498093144
Energy: 1.0814797079851572
Energy: 1.0767388700147602
Energy: 1.081479707986625
Energy: 0.9843680702147707
Energy: 1.0817468359984936
Energy: 1.010829327860114
Energy: 1.0817468359984936
Energy: 0.9792012149425866
Energy: 1.0769819806822432
Energy: 1.0762223819218504
Energy: 1.0769819806793077
Energy: 0.979403061054078
Energy: 1.1435116374379939
Energy: 1.0125100337543735
Energy: 1.1435116374379939
Energy: 1.0559426721994862
Energy: 1.055782117279921
Energy: 1.121965962959584
Energy: 1.055782117281389
Energy: 1.0567041865737097
Energy: 0.9845508778762442
Energy: 1.1223301711284166
Energy: 0.9845508778762442
Energy: 1.1449193429982931
Energy: 1.0562487433422834
Energy: 1.060266319025427
Energy: 1.0562487433422834
Energy: 1.0551689995019764
Energy: 1.0596392131743388
Energy: 1.0563988675637042
Energy: 1.0596392131758066
Energy: 1.0115401022592438
Energy: 1.1795143908154924
Energy: 1.0745339514589154
Energy: 1.17951439081696
Energy: 1.0770373202062429
Energy: 1.0783153249709387
Energy: 1.0568874075288226
Energy: 1.0783153249709387
Energy: 1.0788476220987067
Energy: 1.077988535181735
Energy: 1.1592367772509025
Energy: 1.0779885351802672
Energy: 1.0113393273939968
Energy: 1.0777305620656006
Energy: 1.1600709450276445
Energy: 1.0777305620656006
Energy: 1.1261762681038927
Energy: 1.062406662835079
Energy: 1.0618403056678516
Energy: 1.062406662835079

minimum gb energy = 0.9792012149425866 eV
minimum distance =  2.27339639242133 Angstroms
sigma value = 17


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

Energy: 1.5437039089049365
Energy: 1.13884965209479
Energy: 1.1380236478663595
Energy: 1.0957620687510983
Energy: 1.1190546230279421
Energy: 1.0593755710069166
Energy: 1.1573505193231899
Energy: 1.0593755710044603
Energy: 1.0597612814709567
Energy: 1.0590838436196888
Energy: 1.1436288021957675
Energy: 1.05908384362052
Energy: 1.059968403484632
Energy: 1.059299564897303
Energy: 1.0938517215115908
Energy: 1.059299564897303
Energy: 1.117835766000623
Energy: 1.1885531613620726
Energy: 1.1273486428541444
Energy: 1.1885531613620726
Energy: 1.0578864024526367
Energy: 1.1902232873990963
Energy: 1.1170855672715347
Energy: 1.1902232873990963
Energy: 1.0906049723672573
Energy: 1.058240482324155
Energy: 1.0596460332542017
Energy: 1.0582404823249862
Energy: 1.1992113548754388
Energy: 1.0580430836616546
Energy: 1.0591070419745277
Energy: 1.058043083662486
Energy: 1.1412284847039416
Energy: 1.1395327243225888
Energy: 1.1406755290074075
Energy: 1.1395327243217575
Energy: 1.1469807763474642
Energy: 1.1474492600970805
Energy: 1.15949821636108
Energy: 1.1474492600979116
Energy: 1.116619120491586
Energy: 1.0782392176036442
Energy: 1.048535814162681
Energy: 1.0782392176053068
Energy: 1.151205777807313
Energy: 1.0777456254129407
Energy: 1.076605511833139
Energy: 1.0777456254129407
Energy: 1.0896167857389525
Energy: 1.0773236474359975
Energy: 1.076476877939816
Energy: 1.0773236474359975
Energy: 1.0893623786457962
Energy: 1.0771803906766868
Energy: 1.0459549697506099
Energy: 1.0771803906766868
Energy: 1.1507547183992366
Energy: 1.1415958386821339
Energy: 1.1818414587779476
Energy: 1.1415958386813025
Energy: 1.1386016907750893
Energy: 1.1392995086852584
Energy: 1.182442134710345
Energy: 1.1392995086860898
Energy: 1.138838221697794
Energy: 1.0585047816277307
Energy: 1.0577916591154002
Energy: 1.0585047816277307
Energy: 1.1386705650515472
Energy: 1.0589170154074532
Energy: 1.0570363803212535
Energy: 1.0589170154066219
Energy: 1.0601692631003035
Energy: 1.1888537896698335
Energy: 1.1203521587076946
Energy: 1.1888537896698335
Energy: 1.1260852542499742
Energy: 1.1894411569467942
Energy: 1.1180944411611948
Energy: 1.1894411569451315
Energy: 1.0584383947634908
Energy: 1.0583541155769587
Energy: 1.1819761939212419
Energy: 1.0583541155769587
Energy: 1.059162908615982
Energy: 1.0599250449177986
Energy: 1.090175989149514
Energy: 1.0599250449177986
Energy: 1.156528039567177
Energy: 1.1491799825295952
Energy: 1.1379240072926804
Energy: 1.1491799825312579
Energy: 1.1414217494684917
Energy: 1.1390347389198394
Energy: 1.1375066000543337
Energy: 1.139034738918177
Energy: 1.0455632199677454
Energy: 1.0768651693046716
Energy: 1.1506416099287968
Energy: 1.076865169305503
Energy: 1.0765584497879863
Energy: 1.0776618121024544
Energy: 1.1179556162231543
Energy: 1.077661812101623
Energy: 1.044878146852578
Energy: 1.1356704866180898
Energy: 1.0908493237235342
Energy: 1.135670486618921
Energy: 1.0774958517155442
Energy: 1.077984504985157
Energy: 1.089413734368973
Energy: 1.0779845049843257
Energy: 1.0460062151851333
Energy: 1.0594024748317643
Energy: 1.095497515119187
Energy: 1.0594024748309332
Energy: 1.181789585710012
Energy: 1.1380204143455561
Energy: 1.1372512743575987
Energy: 1.1380204143455561

minimum gb energy = 1.044878146852578 eV
minimum distance =  2.22872055941016 Angstroms
sigma value = 53


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

Energy: 1.4007910905256529
Energy: 1.1023638709140735
Energy: 1.1031612360380334
Energy: 1.0132846814248155
Energy: 1.1039577229987674
Energy: 1.106064917486607
Energy: 1.103137772028049
Energy: 1.1060649174827792
Energy: 1.102051122880394
Energy: 1.1020360367756445
Energy: 1.0982437870027495
Energy: 1.102036036777558
Energy: 1.101735938692169
Energy: 1.0753377121908048
Energy: 1.1048724393207814
Energy: 1.0753377121908048
Energy: 1.1014171633181111
Energy: 1.074090431895396
Energy: 0.9965335538060124
Energy: 1.0740904318934823
Energy: 1.1049220428931799
Energy: 1.0753459087246318
Energy: 0.996472275140786
Energy: 1.0753459087265456
Energy: 1.1884200205293638
Energy: 1.1023277923982961
Energy: 1.1030374735368
Energy: 1.1023277924059514
Energy: 1.1889689912315484
Energy: 1.1048069743647706
Energy: 1.1046589367858886
Energy: 1.1048069743647706
Energy: 1.1020511793650267
Energy: 1.1019269495130937
Energy: 1.0988401414565976
Energy: 1.1019269495111796
Energy: 1.104583572045422
Energy: 1.1054766691371962
Energy: 1.102223383572524
Energy: 1.1054766691371962
Energy: 1.1025016876959954
Energy: 1.0765955154343243
Energy: 0.9965081950067963
Energy: 1.0765955154324105
Energy: 1.1034119715519066
Energy: 1.0739215591052698
Energy: 0.9964386609931852
Energy: 1.0739215591052698
Energy: 1.1886507813179645
Energy: 1.1050751320980436
Energy: 1.103719909926505
Energy: 1.1050751320942163

minimum gb energy = 0.9964386609931852 eV
minimum distance =  2.29132498690173 Angstroms
sigma value = 9


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

Energy: 1.3671434610004223
Energy: 1.203185273796041
Energy: 1.2049779983050877
Energy: 1.152988657177486
Energy: 1.07184349835344
Energy: 1.0709124063999156
Energy: 1.251309986524101
Energy: 1.0709124063984994
Energy: 1.07233877088571
Energy: 1.0720239891733285
Energy: 1.2880632458748857
Energy: 1.07202398917262
Energy: 1.074159434201004
Energy: 1.0717853273127456
Energy: 1.2060539079205832
Energy: 1.0717853273148705
Energy: 1.0734707782827562
Energy: 1.070798112607173
Energy: 1.2432385601823557
Energy: 1.0707981126085895
Energy: 1.0719641711413987
Energy: 1.0704187464372104
Energy: 1.2428605956311982
Energy: 1.070418746440752
Energy: 1.207157478795554
Energy: 1.1910973047550226
Energy: 1.2080464349537974
Energy: 1.191097304751481
Energy: 1.2056950617990638
Energy: 1.1902559905385008
Energy: 1.190509655184177
Energy: 1.1902559905413344
Energy: 1.1024406894028016
Energy: 1.2064567325885183
Energy: 1.1435920669577089
Energy: 1.20645673258781
Energy: 1.0762329372986923
Energy: 1.1444523102316697
Energy: 1.1934935290730373
Energy: 1.1444523102309616
Energy: 1.098974950615459
Energy: 1.0989920415956902
Energy: 1.1995034882615039
Energy: 1.0989920415907317
Energy: 1.1004237041873832
Energy: 1.1547979162635107
Energy: 1.2431287475422654
Energy: 1.1547979162642188
Energy: 1.205138990557229
Energy: 1.0996763996431156
Energy: 1.1198297390068692
Energy: 1.0996763996424075
Energy: 1.205463445942575
Energy: 1.1004214123791365
Energy: 1.1018725456606946
Energy: 1.1004214123784282
Energy: 1.1911317644133208
Energy: 1.1206709726647412
Energy: 1.1176754068428296
Energy: 1.120670972661908
Energy: 1.2097709312243545
Energy: 1.2009723398743624
Energy: 1.1183150663774677
Energy: 1.2009723398729457
Energy: 1.1913121345711235
Energy: 1.1645721978773727
Energy: 1.1016027915867228
Energy: 1.164572197876664
Energy: 1.202947917937789
Energy: 1.2010070283180414
Energy: 1.3667050487657484
Energy: 1.2010070283137915
Energy: 1.250858162772226
Energy: 1.189943157332323
Energy: 1.0794738280326412
Energy: 1.1899431573330315
Energy: 1.2885143975261772
Energy: 1.0724793763983038
Energy: 1.072230865350235
Energy: 1.072479376399012
Energy: 1.2054671502475758
Energy: 1.0712600665124488
Energy: 1.0718356468387058
Energy: 1.0712600665110321
Energy: 1.2429147139377597
Energy: 1.070340106434933
Energy: 1.0712996644272992
Energy: 1.070340106437766
Energy: 1.243292551502975
Energy: 1.070665564622523
Energy: 1.0722103745403513
Energy: 1.0706655646218466
Energy: 1.2086570410799045
Energy: 1.1904844538476156
Energy: 1.2055513882743993
Energy: 1.1904844538476156
Energy: 1.1909224994601275
Energy: 1.190352831270677
Energy: 1.2050402177591157
Energy: 1.1903528312671354
Energy: 1.1449282790598139
Energy: 1.201678080595543
Energy: 1.1007762723140149
Energy: 1.201678080595543
Energy: 1.1912330831236977
Energy: 1.14603591583853
Energy: 1.0755880880484208
Energy: 1.1460359158392381
Energy: 1.1995127498067923
Energy: 1.099336190453165
Energy: 1.10011881956382
Energy: 1.099336190453165
Energy: 1.3652381576902795
Energy: 1.1038112005570209
Energy: 1.1006016136117636
Energy: 1.1038112005556044
Energy: 1.1204844854019482
Energy: 1.0997303055694045
Energy: 1.2049171855475331
Energy: 1.0997303055708214
Energy: 1.1040400111860758
Energy: 1.1012120542295207
Energy: 1.2374487968772467
Energy: 1.10121205423303
Energy: 1.1006166683564602
Energy: 1.1003811109906931
Energy: 1.191915870791408
Energy: 1.1003811109906931
Energy: 1.1199449671217525
Energy: 1.2043759851523281
Energy: 1.2105651726581053
Energy: 1.2043759851509117
Energy: 1.10049828195062
Energy: 1.1654856830911984
Energy: 1.1353526909566187
Energy: 1.165485683092615
Energy: 1.3641565072368524
Energy: 1.1921575925779775
Energy: 1.2011952094744178
Energy: 1.1921575925772692

minimum gb energy = 1.070340106434933 eV
minimum distance =  2.28443281162106 Angstroms
sigma value = 73


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

Energy: 1.305464552244539
Energy: 1.146414945985071
Energy: 1.1488300324625738
Energy: 1.0847335829861868
Energy: 1.0762030626220984
Energy: 1.2342195663408844
Energy: 1.1722119464726384
Energy: 1.2342195663408844
Energy: 1.0753078966172709
Energy: 1.075275670755296
Energy: 1.1927415325997286
Energy: 1.075275670755296
Energy: 1.0742830180834004
Energy: 1.0739722472787863
Energy: 1.2301497286411718
Energy: 1.0739722472799103
Energy: 1.073345203181353
Energy: 1.0728167636429848
Energy: 1.2225061133123498
Energy: 1.0728167636429848
Energy: 1.0755441198878999
Energy: 1.2849145953952048
Energy: 1.2228852279143312
Energy: 1.2849145953952048
Energy: 1.166097093445457
Energy: 1.1463627214900665
Energy: 1.1737288494247815
Energy: 1.1463627214900665
Energy: 1.1661498478063583
Energy: 1.1457789690590543
Energy: 1.1455368172467
Energy: 1.145778969060178
Energy: 1.146376307336206
Energy: 1.2011475320036922
Energy: 1.1716350788307404
Energy: 1.201147532004816
Energy: 1.079517626988411
Energy: 1.2004343495478715
Energy: 1.1471680799221422
Energy: 1.2004343495489953
Energy: 1.144746493854438
Energy: 1.14535881798985
Energy: 1.0581132047065567
Energy: 1.14535881798985
Energy: 1.1721469216535372
Energy: 1.1462032818025065
Energy: 1.304648063468571
Energy: 1.1462032818013828
Energy: 1.1393858567454553
Energy: 1.073050340965244
Energy: 1.0758699241979277
Energy: 1.073050340965244
Energy: 1.1671600452175297
Energy: 1.073612826197978
Energy: 1.073437271111508
Energy: 1.073612826197978
Energy: 1.2295009816573725
Energy: 1.0732393232401345
Energy: 1.0750962623011002
Energy: 1.0732393232412583
Energy: 1.222133935290532
Energy: 1.0747371016572234
Energy: 1.0739034330304258
Energy: 1.0747371016583471
Energy: 1.2227040115033545
Energy: 1.2335216099517503
Energy: 1.0759759888631444
Energy: 1.233521609952874
Energy: 1.1725469131202537
Energy: 1.172406935610484
Energy: 1.1651689253159823
Energy: 1.172406935610484
Energy: 1.1461795834360708
Energy: 1.1465007181081086
Energy: 1.1657907354937505
Energy: 1.1465007181081086
Energy: 1.1964756711894273
Energy: 1.172069934578296
Energy: 1.1463646307026236
Energy: 1.172069934578296
Energy: 1.145897831459151
Energy: 1.20127177596494
Energy: 1.0823199920285582
Energy: 1.201271775966064
Energy: 1.2207266536456762
Energy: 1.1459924621087216
Energy: 1.1464147478960158
Energy: 1.1459924621087216

minimum gb energy = 1.0581132047065567 eV
minimum distance =  2.28629409418126 Angstroms
sigma value = 7


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

Energy: 1.7414307222022303
Energy: 1.1943460722164614
Energy: 1.1944596012162585
Energy: 1.137849841229916
Energy: 1.0850711421322796
Energy: 1.151835392719801
Energy: 1.2326611935791594
Energy: 1.1518353927269531
Energy: 1.093529530425427
Energy: 1.093845317631204
Energy: 1.2240543492813944
Energy: 1.093845317626436
Energy: 1.096452678146494
Energy: 1.09392077302126
Energy: 1.2331165312324512
Energy: 1.0939207730228493
Energy: 1.086795875538034
Energy: 1.0850517267127557
Energy: 1.2192361972913865
Energy: 1.0850517267127557
Energy: 1.1317016402476718
Energy: 1.0849001490973402
Energy: 1.2194247831226004
Energy: 1.0849001490973402
Energy: 1.2382069407904583
Energy: 1.0865863494543633
Energy: 1.098699918518729
Energy: 1.0865863494488004
Energy: 1.237171666932887
Energy: 1.0849050515641443
Energy: 1.0849342039675853
Energy: 1.0849050515657337
Energy: 1.2262979558061147
Energy: 1.0965343327835857
Energy: 1.0967205265655893
Energy: 1.0965343327835857
Energy: 1.249380557829265
Energy: 1.2491448313170097
Energy: 1.0878288852145515
Energy: 1.249144831320983
Energy: 1.2249810791452345
Energy: 1.1719162280307798
Energy: 1.0803321166828572
Energy: 1.1719162280299853
Energy: 1.1706513568699248
Energy: 1.1731774178587646
Energy: 1.2402677536119715
Energy: 1.1731774178539967
Energy: 1.1708715858355097
Energy: 1.1716222712020155
Energy: 1.1327347510706203
Energy: 1.1716222712043995
Energy: 1.1714270390169654
Energy: 1.1999591492753094
Energy: 1.1480857456601807
Energy: 1.1999591492737203
Energy: 1.171759084176122
Energy: 1.1036215269006773
Energy: 1.1164398455587978
Energy: 1.1036215269014717
Energy: 1.0843462101129502
Energy: 1.0876599864377479
Energy: 1.1282530176345005
Energy: 1.0876599864337746
Energy: 1.0892945536334437
Energy: 1.0852690547865025
Energy: 1.2048121924865631
Energy: 1.0852690547888866
Energy: 1.1063480242482944
Energy: 1.2446795950222032
Energy: 1.2228870906164666
Energy: 1.2446795964590724
Energy: 1.1198855317189502
Energy: 1.1203158320190378
Energy: 1.2045522015843833
Energy: 1.1203158320190378
Energy: 1.1037828729080674
Energy: 1.1039618627023553
Energy: 1.0970932729620835
Energy: 1.1039618626991767
Energy: 1.1194027411465175
Energy: 1.105947739390745
Energy: 1.2194718358673788
Energy: 1.105947739390745
Energy: 1.237282973748419
Energy: 1.08842578536943
Energy: 1.2103075494025954
Energy: 1.0884257853702246
Energy: 1.2372017220902358
Energy: 1.088841248394641
Energy: 1.0903221287183331
Energy: 1.0888412483914625
Energy: 1.2007542870690155
Energy: 1.0955996260233647
Energy: 1.0980331334632885
Energy: 1.0955996260241594
Energy: 1.2492172826470296
Energy: 1.0960943304541562
Energy: 1.1010684566379352
Energy: 1.0960943304557453
Energy: 1.2228385309824292
Energy: 1.2082167619857644
Energy: 1.0884754041213824
Energy: 1.2082167619849697
Energy: 1.1520202546446578
Energy: 1.1519713680508445
Energy: 1.5487360894408768
Energy: 1.1519713680532282
Energy: 1.152928249943543
Energy: 1.1519083373189587
Energy: 1.088632520494992
Energy: 1.151908337320548
Energy: 1.190022714708718
Energy: 1.1741544197106397
Energy: 1.1529330707908554
Energy: 1.1741544197098448
Energy: 1.151447224440019
Energy: 1.1914574662888933
Energy: 1.147972190764768
Energy: 1.1914574662904827
Energy: 1.101242556748319
Energy: 1.1520529888962205
Energy: 1.1543778447828414
Energy: 1.1520529888946314

minimum gb energy = 1.0803321166828572 eV
minimum distance =  2.27064980553887 Angstroms
sigma value = 29


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

Energy: 1.0183472630667425
Energy: 1.1989464179538583
Energy: 1.1113604134888695
Energy: 1.019758200675487
Energy: 1.0288595497993223
Energy: 1.1040829528972265
Energy: 1.0291202017751402
Energy: 1.1040829528969496
Energy: 1.0282886355129721
Energy: 1.1130753587480848
Energy: 1.018684252383998
Energy: 1.1130753587472852
Energy: 1.0165025796618388
Energy: 1.0305450978756718
Energy: 1.0273699801285536
Energy: 1.0305450978761945
Energy: 1.0267266735376754
Energy: 1.0271914877901587
Energy: 1.0165915310758311
Energy: 1.0271914877898818
Energy: 1.0269016006730565
Energy: 1.107097973758663
Energy: 1.0165537963411881
Energy: 1.1070979737597701
Energy: 1.0193721910883866
Energy: 1.1123037111494292
Energy: 1.0272784502184504
Energy: 1.112303711148353
Energy: 1.0290646188545007
Energy: 1.0258097712736578
Energy: 1.0167733917939645
Energy: 1.025809771274734
Energy: 1.015996278229626
Energy: 1.0256094507564657
Energy: 1.0244742259064732
Energy: 1.0256094507564657

minimum gb energy = 1.015996278229626 eV
minimum distance =  2.25075540240508 Angstroms
sigma value = 5


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

Energy: 1.3962844376911816
Energy: 0.993138238905541
Energy: 1.1397090083281032
Energy: 0.9789510868152982
Energy: 1.1258182963250059
Energy: 1.0092661162556613
Energy: 1.1437268463197403
Energy: 1.0092661162594145
Energy: 1.1440696543046962
Energy: 1.0784763530020247
Energy: 1.1330781817514552
Energy: 1.0784763530005232
Energy: 1.0821272231366816
Energy: 0.9938964625519386
Energy: 1.1380545465252172
Energy: 0.9938964625496866
Energy: 1.0783504583484038
Energy: 0.9988331514860264
Energy: 1.08274496212128
Energy: 0.9988331514860264
Energy: 1.0104101556958685
Energy: 1.0063337962158874
Energy: 1.0829149936039753
Energy: 1.0063337962151369
Energy: 0.9939475648598375
Energy: 0.9932222165070276
Energy: 1.1387978522795859
Energy: 0.9932222165062767
Energy: 1.013137324906267
Energy: 1.0020616177582289
Energy: 1.190437391877418
Energy: 1.0020616177634836
Energy: 1.1151723369064113
Energy: 1.036464120095416
Energy: 1.1912434810976726
Energy: 1.0364641200991693
Energy: 1.2308229800543833
Energy: 0.9851155667752384
Energy: 0.9858704188294748
Energy: 0.985115566773737
Energy: 1.1145281412344539
Energy: 0.9806973885113457
Energy: 0.979987732541144
Energy: 0.9806973885105951
Energy: 1.1927160285189933
Energy: 0.9838839652549433
Energy: 0.9854069327945318
Energy: 0.9838839652556939
Energy: 1.1913421225373553
Energy: 0.9816561835174001
Energy: 0.9934342350065837
Energy: 0.9816561835234054
Energy: 1.040611888750997
Energy: 1.043220966896562
Energy: 1.197272369808709
Energy: 1.0432209668913077
Energy: 1.0417655108198773
Energy: 0.9744106383049815
Energy: 1.1918341178466125
Energy: 0.9744106383057322
Energy: 1.042104376721826
Energy: 0.9736015698519411
Energy: 1.0103249801066276
Energy: 0.9736015698534423
Energy: 1.0479697306227946
Energy: 0.9678139878866495
Energy: 1.0080146412957238
Energy: 0.9678139878851824
Energy: 1.1697246744568246
Energy: 0.9733014803075347
Energy: 1.0087708895881147
Energy: 0.9733014803090361
Energy: 1.1691659937549868
Energy: 1.057876309188665
Energy: 1.0441854482051314
Energy: 1.057876309188665
Energy: 1.168311385219598
Energy: 0.9984259250642316
Energy: 1.0813995711540771
Energy: 0.9984259250649821
Energy: 1.0832787662712646
Energy: 1.0050226250996874
Energy: 1.0338296835958434
Energy: 1.0050226251019392
Energy: 1.08282985901081
Energy: 1.0007495159388105
Energy: 0.9998959877083463
Energy: 1.0007495159425637
Energy: 1.226377631812482
Energy: 0.9990975393560768
Energy: 1.000254395322803
Energy: 0.9990975393530743
Energy: 1.1913818726075824
Energy: 1.0043173581597393
Energy: 1.0200119672033374
Energy: 1.0043173581597393
Energy: 1.19297920124654
Energy: 1.0386878815889722
Energy: 1.0147827744362097
Energy: 1.038687881591975
Energy: 0.9761123686465268
Energy: 0.975566114847477
Energy: 1.2307106473681748
Energy: 0.975566114845225
Energy: 0.9758178712109784
Energy: 0.9761325739832901
Energy: 1.0256052161079614
Energy: 0.9761325739840409
Energy: 0.9757644983310889
Energy: 0.9748510203407434
Energy: 1.0258079326335998
Energy: 0.9748510203474992
Energy: 0.9778112828160269
Energy: 0.9765442942751379
Energy: 1.1914470447684724
Energy: 0.9765442942721353
Energy: 1.1917197163507578
Energy: 1.0343450547974489
Energy: 1.0135675499764616
Energy: 1.0343450547966981
Energy: 1.1836102802191357
Energy: 0.9969828841142042
Energy: 1.008057223410002
Energy: 0.996982884112703
Energy: 1.1265385210793686
Energy: 0.9975674776515567
Energy: 1.0080053944871938
Energy: 0.9975674776515567
Energy: 1.002212832057737
Energy: 0.9937306581860434
Energy: 0.9924050182349433
Energy: 0.993730658189046

minimum gb energy = 0.9678139878851824 eV
minimum distance =  2.20280450768398 Angstroms
sigma value = 1


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

Energy: 1.370014017304343
Energy: 0.9394325849189415
Energy: 1.106131043374416
Energy: 0.9180540985505523
Energy: 0.95263591098864
Energy: 0.9556087422074941
Energy: 1.142397270389466
Energy: 0.9556087422043805
Energy: 1.1396718937078567
Energy: 1.0503316878341025
Energy: 1.1278290388089405
Energy: 1.0503316878341025
Energy: 0.956748180530964
Energy: 1.04570280719739
Energy: 1.1202832287922992
Energy: 1.0457028071932384
Energy: 0.9399709520277254
Energy: 0.939882170298902
Energy: 1.1230995838209805
Energy: 0.9398821702978641
Energy: 0.9396361250874623
Energy: 0.9416389315991098
Energy: 1.12382114412062
Energy: 0.941638931598072
Energy: 0.9366328463065985
Energy: 0.937179418223054
Energy: 1.1215467322755905
Energy: 0.9371794182272055
Energy: 0.9595061604965296
Energy: 0.9530168203766703
Energy: 1.2759806587052944
Energy: 0.953016820378746
Energy: 1.1386805126194284
Energy: 0.9963671663995498
Energy: 1.2749159306284632
Energy: 0.9963671664005878
Energy: 1.1627852789556543
Energy: 0.959180850349133
Energy: 0.9557123099954118
Energy: 0.9591808503460194
Energy: 1.135102476138353
Energy: 0.9370557021057049
Energy: 0.9358454651445886
Energy: 0.9370557021046669
Energy: 1.2716077916191713
Energy: 0.9427584415695425
Energy: 0.9419534301357194
Energy: 0.9427584415716181
Energy: 1.2723367149667388
Energy: 0.938381635174141
Energy: 0.9412071550795923
Energy: 0.9383816351751789
Energy: 1.119618872199867
Energy: 0.9404978164230386
Energy: 1.1276758575092005
Energy: 0.940497816420963
Energy: 0.9558492808534017
Energy: 1.0452379159781344
Energy: 1.1415521425681303
Energy: 1.0452379159802103
Energy: 0.9567956684318056
Energy: 0.9413505918570622
Energy: 1.1217354268824828
Energy: 0.9413505918612136
Energy: 0.9404727360103748
Energy: 0.938196552827524
Energy: 1.122636356049059
Energy: 0.9381965528316756
Energy: 0.9598357282491947
Energy: 0.9567942308617674
Energy: 1.11636609327456
Energy: 0.9567942308607296
Energy: 0.9365444553105557
Energy: 0.9372856984447423
Energy: 1.2757297944090666
Energy: 0.937285698440591
Energy: 0.941947314390574
Energy: 1.2186069765821246
Energy: 1.2754115419206191
Energy: 1.2186070601125025
Energy: 1.1229210128219806
Energy: 0.997576473014175
Energy: 1.1218216963404692
Energy: 0.9975764730151894
Energy: 1.122764117467715
Energy: 0.9419639632787149
Energy: 0.9578580761788122
Energy: 0.9419639632828428
Energy: 1.1215684159925319
Energy: 0.9396148650083751
Energy: 0.9419886573790499
Energy: 0.9396148650114887
Energy: 1.2722569716168566
Energy: 0.9383322139418465
Energy: 0.9376838080295022
Energy: 0.9383322139408085

minimum gb energy = 0.9180540985505523 eV
minimum distance =  2.22085990316308 Angstroms
sigma value = 17


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

Energy: 1.4464126976588951
Energy: 0.9222366518277773
Energy: 1.104105167059424
Energy: 0.9070559305350538
Energy: 0.9198898081717204
Energy: 0.9254561045294698
Energy: 1.0406001126412248
Energy: 0.9254561045301113
Energy: 1.141383673621203
Energy: 0.9181964052048482
Energy: 1.0437903532332675
Energy: 0.9181964052048482
Energy: 1.136921961138783
Energy: 0.9749702501496265
Energy: 1.0334419685080527
Energy: 0.974970250147702
Energy: 1.0206315409892424
Energy: 0.9062926776077591
Energy: 1.2402464375587892
Energy: 0.9062926776084006
Energy: 0.9089827134625474
Energy: 0.9058082602893539
Energy: 1.24253897508004
Energy: 0.9058082602912784
Energy: 0.9108041684741567
Energy: 0.9065953167484916
Energy: 1.033807559096794
Energy: 0.906595316750416
Energy: 0.9146374384272169
Energy: 0.9112334234694861
Energy: 1.3325342747773228
Energy: 0.9112334234701277
Energy: 1.2397874635983275
Energy: 0.9063251777008984
Energy: 1.1418601078783146
Energy: 0.9063251777028227
Energy: 1.0549330328575903
Energy: 0.9768312184292856
Energy: 1.0355878655405342
Energy: 0.9768312184286441
Energy: 1.2381601368360144
Energy: 1.1549587236582888
Energy: 0.9282112397115819
Energy: 1.1549587096144756
Energy: 1.2394892415409722
Energy: 0.9198117030444161
Energy: 1.0342954590819262
Energy: 0.9198117030463405
Energy: 1.2335620585896683
Energy: 0.9173782816513836
Energy: 0.9170059597149247
Energy: 0.9173782816501006
Energy: 1.070172647813903
Energy: 0.9190830810134092
Energy: 0.9186198636715617
Energy: 0.9190830810134092
Energy: 1.1645255937688408
Energy: 0.9225332408304341
Energy: 0.9283935812004398
Energy: 0.922533240829151
Energy: 1.3386499073881195
Energy: 0.9184256049184052
Energy: 1.0734372971378423
Energy: 0.9184256049164808
Energy: 0.9180012440925973
Energy: 0.9264848251178303
Energy: 1.2344501135707737
Energy: 0.9264877263615389
Energy: 0.9181430448305055
Energy: 0.9175896829027889
Energy: 1.2384490279722513
Energy: 0.9175896829027889
Energy: 0.9214890318317308
Energy: 0.9302530820983068
Energy: 1.1383029353898915
Energy: 0.9302530820976652
Energy: 0.9203892496543403
Energy: 0.9177977763105606
Energy: 1.3322276298204903
Energy: 0.9177977763092776
Energy: 1.0403353744229207
Energy: 0.9213146656478926
Energy: 1.02285340644942
Energy: 0.9213146656485341
Energy: 1.0423610060861896
Energy: 0.9181445273269431
Energy: 1.1431228019930826
Energy: 0.9181445273243771
Energy: 1.0342095672771725
Energy: 0.9727659999516727
Energy: 1.1485947738493771
Energy: 0.9727659999529555
Energy: 1.2334905656864836
Energy: 0.9098587329315738
Energy: 1.020684129854642
Energy: 0.9098587329328567
Energy: 1.2399892049289287
Energy: 0.9049956972711771
Energy: 0.9052067903088366
Energy: 0.9049956972705356
Energy: 1.0343239136778088
Energy: 0.9083995326383301
Energy: 0.912410356480883
Energy: 0.9083995326383301
Energy: 1.3326698971809325
Energy: 0.9111512451016075
Energy: 0.9093348307289995
Energy: 0.9111512451016075
Energy: 1.139076015555518
Energy: 0.9110266454732538
Energy: 1.2424618866310289
Energy: 0.9110266454745367
Energy: 1.0402511329972903
Energy: 0.9749981395720018
Energy: 1.0430235853624734
Energy: 0.9749981395739261
Energy: 0.9294089087489632
Energy: 0.917776315421224
Energy: 1.2366910128534796
Energy: 0.9177763345985825
Energy: 1.032961448052141
Energy: 0.9183033545441692
Energy: 1.2419087846839967
Energy: 0.9183033545441692
Energy: 0.9167969769435497
Energy: 0.9182585386772423
Energy: 1.2432785380013924
Energy: 0.9182585386753178
Energy: 0.9179712149524318
Energy: 0.9175695689391997
Energy: 1.1338101520954398
Energy: 0.9175695689385583
Energy: 0.9271474283634502
Energy: 0.9273600071229325
Energy: 1.1354897223544045
Energy: 0.927360007123574
Energy: 1.1789875614662515
Energy: 0.917541258240863
Energy: 1.338717377044174
Energy: 0.9175412582421459
Energy: 1.3143628701469445
Energy: 0.9254532813494523
Energy: 0.9193626875129559
Energy: 0.9254532813475278
Energy: 1.237511790486657
Energy: 0.9172558576601837
Energy: 0.9175880505891936
Energy: 0.9172558576589007
Energy: 1.1408462738794443
Energy: 0.9205514787296394
Energy: 0.9193005181045194
Energy: 0.920551478731564

minimum gb energy = 0.9049956972705356 eV
minimum distance =  2.22171881469913 Angstroms
sigma value = 89


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

Energy: 1.5093846942189868
Energy: 0.8316594411810903
Energy: 0.830565506696857
Energy: 0.8630913374174071
Energy: 0.8294128881522637
Energy: 0.9198935546828225
Energy: 0.8298747780502517
Energy: 0.9198935546845011
Energy: 0.8226683398484487
Energy: 0.9199299725445377
Energy: 0.8511361860883205
Energy: 0.9199299725428591
Energy: 0.8236300077164158
Energy: 0.9127338379710025
Energy: 0.8292386519051047
Energy: 0.912733837969324
Energy: 0.8287448012311888
Energy: 0.8296517135693808
Energy: 1.1063584286819161
Energy: 0.8296517135693808
Energy: 0.8303009390940977
Energy: 0.828274003431341
Energy: 1.106541523575825
Energy: 0.8282740034330196
Energy: 0.8289728783394859
Energy: 0.8277143919058754
Energy: 0.8306456438575341
Energy: 0.8277143919058754
Energy: 0.8280359511805878
Energy: 0.828676869427709
Energy: 0.8244458557229806
Energy: 0.828676869427709
Energy: 0.8295796845603892
Energy: 0.8277786913854989
Energy: 0.829055220436955
Energy: 0.8277786913854989
Energy: 0.8517224396250872
Energy: 0.9354933015029433
Energy: 0.8303977554080331
Energy: 0.9354933015029433
Energy: 0.831009678121905
Energy: 0.9103457323286055
Energy: 0.8215862607129577
Energy: 0.9103457323286055
Energy: 1.1071699284678902
Energy: 0.8276848776154477
Energy: 0.8293617011117785
Energy: 0.8276848776154477
Energy: 1.107109588491615
Energy: 0.8295508585695192
Energy: 0.8290576508357387
Energy: 0.8295508585695192
Energy: 0.8296059818833464
Energy: 0.8271097666731752
Energy: 0.8267013714044619
Energy: 0.8271097666714967
Energy: 0.8277132359133517
Energy: 0.8295777778256446
Energy: 0.8302067236446067
Energy: 0.8295777778239661

minimum gb energy = 0.8215862607129577 eV
minimum distance =  2.25937787036266 Angstroms
sigma value = 13


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

Energy: 1.407090318338091
Energy: 0.7875322589430139
Energy: 1.0222714336335277
Energy: 0.7920738955588352
Energy: 1.146829969671469
Energy: 0.7865057605691574
Energy: 0.9107334002194952
Energy: 0.7865057605649363
Energy: 1.3121800768969516
Energy: 0.7854682760060343
Energy: 0.9197528305947863
Energy: 0.7854682760025167
Energy: 1.1027363140331423
Energy: 0.7887742243955507
Energy: 0.912204419711658
Energy: 0.7887742243948471
Energy: 1.0791354461244513
Energy: 0.7879953985002841
Energy: 1.2131784747205216
Energy: 0.7879953985038016
Energy: 0.9207035570973826
Energy: 0.7877757386005991
Energy: 1.2108558056408683
Energy: 0.7877757386020061
Energy: 0.9195412285426947
Energy: 0.7871536544181856
Energy: 1.0587067214351034
Energy: 0.7871536544069614
Energy: 0.8920236329345665
Energy: 0.789613968213578
Energy: 1.1934994435534099
Energy: 0.7896139682199097
Energy: 0.8147614044493215
Energy: 0.7949518546539454
Energy: 1.2205165931567374
Energy: 0.7949518546497242
Energy: 0.790723163313934
Energy: 0.7869895398713392
Energy: 1.067590175153848
Energy: 0.7869895398678216
Energy: 0.7881598163362976
Energy: 0.7978339335281314
Energy: 1.4076694540533379
Energy: 0.7978339335351665
Energy: 1.1533031132230667
Energy: 0.9643404371271838
Energy: 1.0672103284349954
Energy: 0.9643404371278873
Energy: 1.1589544732288348
Energy: 0.966611990558626
Energy: 1.1302586567509327
Energy: 0.9666119905522944
Energy: 1.1511862776634456
Energy: 0.9664037365891822
Energy: 1.1025410294927418
Energy: 0.9664037365955138
Energy: 1.1964975545677723
Energy: 0.7794737567449233
Energy: 1.0592486791619329
Energy: 0.7794737567547724
Energy: 1.2036759136391335
Energy: 0.778556430654902
Energy: 0.8481891358213539
Energy: 0.778556430654902
Energy: 1.2363800110953493
Energy: 0.7778335343064684
Energy: 0.8456385197806789
Energy: 0.7778335343015439
Energy: 1.2697357659039306
Energy: 0.7818489352590315
Energy: 0.838968731785988
Energy: 0.7818489352597351
Energy: 1.0203839848793048
Energy: 0.7819030062125656
Energy: 0.9600940799198671
Energy: 0.7819030061999023
Energy: 1.2659447676704247
Energy: 0.7803252383977656
Energy: 0.9822303393274898
Energy: 0.7803252384012832
Energy: 1.115228000495944
Energy: 0.7833155896955301
Energy: 0.9633223018323008
Energy: 0.7833155894873857
Energy: 1.1624301984138306
Energy: 0.9712358857918685
Energy: 1.2038419062854782
Energy: 0.9712358857989036
Energy: 0.919588270823639
Energy: 0.9523161644868245
Energy: 1.2132742846547593
Energy: 0.9523161644952666
Energy: 0.851543106583763
Energy: 0.9462633488985464
Energy: 1.098353212349154
Energy: 0.9462633489006569
Energy: 0.8728432820077865
Energy: 0.7872412926957444
Energy: 1.4105768692518483
Energy: 0.787241292695041
Energy: 0.7872315811701794
Energy: 0.7857417395775487
Energy: 1.4075560704742593
Energy: 0.7857417395824733
Energy: 0.7862500538692447
Energy: 0.7854546008346741
Energy: 1.101373649864138
Energy: 0.7854546008360812
Energy: 0.7919932908764883
Energy: 0.7917058564938607
Energy: 1.3105101607202159
Energy: 0.7917058564868575
Energy: 1.1456768838206506
Energy: 0.7918648093570361
Energy: 1.0524747129684218
Energy: 0.7918648093577396
Energy: 0.9806660002748666
Energy: 0.8434631420929284
Energy: 1.0565275740884197
Energy: 0.8434631421041847
Energy: 1.1495298756052053
Energy: 1.2046745544136335
Energy: 1.1155682557596092
Energy: 1.2046745544080053
Energy: 1.203581350424088
Energy: 0.7864123456284416
Energy: 1.0568154047046132
Energy: 0.7864123456284416
Energy: 1.1964980532235225
Energy: 0.7881686927869551
Energy: 0.7901980525995514
Energy: 0.788168692778513
Energy: 1.078343187729489
Energy: 0.784271911968785
Energy: 0.784780176956842
Energy: 0.7842719119680815
Energy: 1.109104804230703
Energy: 0.7856095197000789
Energy: 0.7895245591952055
Energy: 0.7856095196937474

minimum gb energy = 0.7778335343015439 eV
minimum distance =  2.24671925063041 Angstroms
sigma value = 37


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

Energy: 1.158520617824209
Energy: 0.7120504558133991
Energy: 0.7106275920412634
Energy: 0.7131378993379033
Energy: 1.151354269126744
Energy: 0.7108825245791325
Energy: 0.9214149932419909
Energy: 0.7108825245791325
Energy: 1.1316354058459415
Energy: 0.7102648468110921
Energy: 0.924849205267915
Energy: 0.7102648468098818
Energy: 1.1304162828061355
Energy: 0.8073382817322343
Energy: 0.9225780193929151
Energy: 0.8073382817322343
Energy: 1.1521206233316408
Energy: 0.8055541111456885
Energy: 0.9207650407106478
Energy: 0.8055541111456885
Energy: 0.8361974347876081
Energy: 0.7101840629271534
Energy: 1.1502741245004144
Energy: 0.7101840629247327
Energy: 0.7067613992680093
Energy: 0.7099557149012816
Energy: 1.152968670354212
Energy: 0.7099557149012816
Energy: 0.7210760122191078
Energy: 0.710480092611037
Energy: 1.1444438346441304
Energy: 0.7104800926086162
Energy: 0.7106808346898207
Energy: 0.7103399595982893
Energy: 1.293977014465401
Energy: 0.7103399595994997
Energy: 0.7095085508956106
Energy: 0.712476508755422
Energy: 1.16509798363465
Energy: 0.7124765087566325
Energy: 0.7106275920013486
Energy: 0.7120504557976917
Energy: 1.158520617824209
Energy: 0.7120504557989021
Energy: 0.9214149932419909
Energy: 0.7108825245779222
Energy: 1.2322414036016651
Energy: 0.7108825245779222
Energy: 0.9248492052691255
Energy: 0.7102648468110921
Energy: 1.1316354058459415
Energy: 0.7102648468110921
Energy: 0.9225780193941254
Energy: 0.8073382817322343
Energy: 1.1304162828061355
Energy: 0.8073382817322343
Energy: 0.9207650407118582
Energy: 0.8055541111481093
Energy: 1.1521206233316408
Energy: 0.8055541111468989
Energy: 1.072283086432263
Energy: 0.710184062925943
Energy: 0.925657681526174
Energy: 0.710184062925943
Energy: 1.1529686703517914
Energy: 0.7099557149012816
Energy: 0.7067613992704298
Energy: 0.7099557149012816
Energy: 1.1444438346441304
Energy: 0.7104800926086162
Energy: 0.7210760122191078
Energy: 0.7104800926098265
Energy: 1.2939770144641907
Energy: 0.7103399595982893
Energy: 0.7106808346886102
Energy: 0.7103399595982893
Energy: 1.1502278418408338
Energy: 0.7124765087566325
Energy: 0.709508550896821
Energy: 0.712476508755422

minimum gb energy = 0.7067613992680093 eV
minimum distance =  2.26589425321415 Angstroms
sigma value = 25


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

Energy: 1.3619609479779096
Energy: 0.6330525443408787
Energy: 0.6332437555177032
Energy: 0.6630465235133232
Energy: 1.2485407001265842
Energy: 0.6312639576771277
Energy: 0.8029856145728594
Energy: 0.6312639576780729
Energy: 1.2394689153555023
Energy: 0.6305897031660751
Energy: 0.8008265163874542
Energy: 0.63058970316513
Energy: 0.9680156647250169
Energy: 0.6302442628461356
Energy: 0.7985449848968906
Energy: 0.6302442628480257
Energy: 1.2473762676249134
Energy: 0.9097717394173918
Energy: 1.107541014176728
Energy: 0.909771739419282
Energy: 0.9661532138023067
Energy: 0.7042268593002263
Energy: 1.1043353528181188
Energy: 0.7042268593021166
Energy: 0.9662084276922137
Energy: 0.9097452567658151
Energy: 1.105918728964857
Energy: 0.90974525676487
Energy: 0.9846134904150746
Energy: 0.6302482321765346
Energy: 1.1027814794040114
Energy: 0.6302482321755895
Energy: 0.8005934094458858
Energy: 0.630549239585986
Energy: 1.2485291153108637
Energy: 0.630549239585986
Energy: 0.8028603853302275
Energy: 0.6312474357389997
Energy: 1.2487909657618048
Energy: 0.6312474357399448
Energy: 0.6304431781572725
Energy: 0.6300857296724209
Energy: 1.163061130604165
Energy: 0.6300857296695856
Energy: 0.6347902576078432
Energy: 0.6314595312258747
Energy: 1.2492548456552888
Energy: 0.6314595312268199
Energy: 0.6323284515733638
Energy: 0.6341587242243143
Energy: 1.2393257571792076
Energy: 0.6341587242262046
Energy: 0.7984248969020012
Energy: 0.629806481246588
Energy: 1.2371005825435608
Energy: 0.629806481246588
Energy: 0.8001903391791946
Energy: 0.6299738494747719
Energy: 1.2480314079133856
Energy: 0.6299738494757172
Energy: 0.8038109900766978
Energy: 0.6318922748340192
Energy: 1.240817206867509
Energy: 0.6318922748340192
Energy: 1.10544231415641
Energy: 0.6301840184214835
Energy: 1.238495630783313
Energy: 0.6301840184205383
Energy: 0.7981772811743337
Energy: 0.9105806049215398
Energy: 1.1053232739602237
Energy: 0.9105806049234301
Energy: 1.1046554966558855
Energy: 0.9096260541472003
Energy: 0.9655914362447959
Energy: 0.9096260541472003
Energy: 1.2480794244343387
Energy: 0.9094532123216
Energy: 0.9656455090899653
Energy: 0.9094532123225452
Energy: 1.1642417692867386
Energy: 0.6303100558262908
Energy: 0.7988461981737462
Energy: 0.6303100558253457
Energy: 1.249456801396225
Energy: 0.629655334958869
Energy: 0.6308644068707758
Energy: 0.629655334958869
Energy: 1.2438847051681479
Energy: 0.6332254965082504
Energy: 0.8007374291017314
Energy: 0.6332254965082504
Energy: 1.1071090765214024
Energy: 0.6305187502524534
Energy: 0.6301736850867008
Energy: 0.6305187502524534
Energy: 1.2475005282517162
Energy: 0.6298886412426212
Energy: 0.6310191345797088
Energy: 0.6298886412426212
Energy: 1.2396452700192582
Energy: 0.6322906335572969
Energy: 0.6309136520828336
Energy: 0.6322906335572969

minimum gb energy = 0.629655334958869 eV
minimum distance =  2.27342356967452 Angstroms
sigma value = 41


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

Energy: 1.4914731790872622
Energy: 0.5727249754319523
Energy: 0.575177065182692
Energy: 0.5978082904852695
Energy: 1.3247208857872679
Energy: 0.5715340454974864
Energy: 0.7125077364953665
Energy: 0.5715340454982613
Energy: 1.3172506070958898
Energy: 0.5708798594287613
Energy: 0.7115411860701765
Energy: 0.5708798594272115
Energy: 1.0872271933704896
Energy: 0.5738622737183356
Energy: 0.9663190047518259
Energy: 0.5738622737183356
Energy: 1.322081637116921
Energy: 0.8135739115269078
Energy: 0.9685836212743736
Energy: 0.8135739115253581
Energy: 1.0814875243030733
Energy: 1.048954090185213
Energy: 0.9673761210321333
Energy: 1.048954090184438
Energy: 1.0870767907568575
Energy: 1.0461414173305517
Energy: 1.2020579405293934
Energy: 1.0461414173305517
Energy: 1.0895882363518046
Energy: 1.0505597340940382
Energy: 0.9642950034380893
Energy: 1.0505597340955881
Energy: 0.8478362303470125
Energy: 0.5715823970685556
Energy: 1.2003096935785196
Energy: 0.5715823970693306
Energy: 0.84859492482163
Energy: 0.8132665006247675
Energy: 1.3246503026261152
Energy: 0.8132665006255424
Energy: 0.7098737923342019
Energy: 0.5738341323047087
Energy: 1.1982462189544185
Energy: 0.5738341323047087
Energy: 0.7094581252590613
Energy: 0.5700731319724539
Energy: 1.3237282626321323
Energy: 0.5700731319724539
Energy: 0.7163561899892659
Energy: 0.5732943349698407
Energy: 1.3243896022804391
Energy: 0.5732943349690659
Energy: 0.5701143823667209
Energy: 0.5766045509683164
Energy: 1.1978630134214365
Energy: 0.5766045509690914
Energy: 0.5728568264881311
Energy: 0.5711938285520759
Energy: 1.3219398402317688
Energy: 0.5711938285520759
Energy: 0.5760942241862678
Energy: 0.5734512394603214
Energy: 1.3175120350044716
Energy: 0.5734512394618712
Energy: 0.7092723616945006
Energy: 0.5752611916361698
Energy: 1.314014139017931
Energy: 0.5752611916369448
Energy: 0.7072754030543811
Energy: 0.7934813402778623
Energy: 1.3212574008796183
Energy: 0.7934813299829774
Energy: 0.7134252795095197
Energy: 0.574409053421249
Energy: 1.083974706557095
Energy: 0.5744090534235735
Energy: 0.9694779619448654
Energy: 0.5725687924180137
Energy: 1.0821007727755578
Energy: 0.5725687924172389
Energy: 0.9663139042142469
Energy: 0.8148002526131359
Energy: 1.2025504461999441
Energy: 0.8148002526146857
Energy: 0.9700438041766061
Energy: 1.0487451491088473
Energy: 1.0865282345888743
Energy: 1.0487451491080726
Energy: 1.2003839475475717
Energy: 1.042247531410894
Energy: 1.0807086846390936
Energy: 1.0422475314093442
Energy: 0.9682018615151841
Energy: 1.0499207374530237
Energy: 0.9710350405513866
Energy: 1.0499207374537987
Energy: 1.2025718409560338
Energy: 0.5714613489544651
Energy: 0.8394192363304508
Energy: 0.5714613489567897
Energy: 1.2010980391194976
Energy: 0.5722370250143999
Energy: 0.9685632424587053
Energy: 0.5722370250151747
Energy: 1.2032724373456087
Energy: 0.5728428556100977
Energy: 0.7106386600102289
Energy: 0.5728428556093228
Energy: 1.3212698326954588
Energy: 0.7805413474473538
Energy: 0.7062430403902008
Energy: 0.7805411739104217
Energy: 1.2026197394916913
Energy: 0.5777894694237748
Energy: 0.7095713188205416
Energy: 0.577789469423
Energy: 1.2005820393782536
Energy: 0.5760966548842062
Energy: 0.570500228988975
Energy: 0.5760966548849811
Energy: 1.3220144047654139
Energy: 0.5713315742450342
Energy: 0.5724067278403773
Energy: 0.571331574245809
Energy: 1.3140041014388342
Energy: 0.5773002035334092
Energy: 0.5712646735258035
Energy: 0.5773002035318595

minimum gb energy = 0.5700731319724539 eV
minimum distance =  2.27864938302592 Angstroms
sigma value = 15


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

Energy: 1.285287021052922
Energy: 0.5272238857477379
Energy: 0.8331310890922607
Energy: 0.547237378420317
Energy: 1.3758070901515007
Energy: 0.5259334332158733
Energy: 0.6472737211181013
Energy: 0.5259334332171861
Energy: 1.371002064930589
Energy: 0.5248320774572476
Energy: 0.6465658339608429
Energy: 0.524832077457904
Energy: 1.1737128230675782
Energy: 0.528372574826915
Energy: 0.8623587638383834
Energy: 0.5283725748242893
Energy: 1.2760709538588038
Energy: 0.5254209294196707
Energy: 0.8633605847919062
Energy: 0.5254209294190142
Energy: 1.1677347778065117
Energy: 0.5240891124078345
Energy: 0.8636937417173921
Energy: 0.524089112407178
Energy: 0.9657496826729535
Energy: 0.7641518411436786
Energy: 1.071089050576653
Energy: 0.7641518411423657
Energy: 1.0731964558472487
Energy: 0.9627980564258014
Energy: 0.8588736339262293
Energy: 0.9627980564231756
Energy: 0.9639333505450166
Energy: 0.9594469325581941
Energy: 1.0657624090348106
Energy: 0.9594469325601633
Energy: 0.9629360273306837
Energy: 0.9582812423596258
Energy: 1.2690768527041687
Energy: 0.9582812423556872
Energy: 0.8726363840205701
Energy: 0.7651527644828214
Energy: 1.0733047056532927
Energy: 0.7651527644834779
Energy: 0.7589050760774001
Energy: 0.5251132617731394
Energy: 1.2691947370031922
Energy: 0.5251132617731394
Energy: 0.8654859236490251
Energy: 0.5268087988218292
Energy: 1.2682404736061013
Energy: 0.5268087988211727
Energy: 0.6433624726746514
Energy: 0.5282821239183509
Energy: 1.0713241170071295
Energy: 0.5282821239163817
Energy: 0.6378601490598367
Energy: 0.5239138897854939
Energy: 1.3757348160085168
Energy: 0.5239138897841812
Energy: 0.6521067265248421
Energy: 0.5282072309963982
Energy: 1.270198941858749
Energy: 0.5282072309996804
Energy: 0.5243526795170047
Energy: 0.5307816267598543
Energy: 1.2735656270939917
Energy: 0.5307816267598543
Energy: 0.5239806697374445
Energy: 0.5240810594975885
Energy: 1.3755145034227207
Energy: 0.5240810594956193
Energy: 0.5331700873507601
Energy: 0.527957897257662
Energy: 1.1707012857102868
Energy: 0.527957897257662
Energy: 0.6483289581223948
Energy: 0.529029371287886
Energy: 1.3725780733786204
Energy: 0.5290293712859165
Energy: 0.6359039561174641
Energy: 0.5237152841130066
Energy: 1.37646913738414
Energy: 0.5237152841084116
Energy: 0.6498076691584543
Energy: 0.5277131285457378
Energy: 1.172115995284362
Energy: 0.5277131285516456
Energy: 0.8656130234672685
Energy: 0.5277014563104289
Energy: 1.1658955719185842
Energy: 0.5277014563110853
Energy: 0.8649720968847883
Energy: 0.5263914879816537
Energy: 1.271714033577578
Energy: 0.5263914879809972
Energy: 0.8712622083741395
Energy: 0.7649438837587436
Energy: 0.970608194383775
Energy: 0.7649438837594
Energy: 1.0661922013044278
Energy: 0.9594402304068225
Energy: 1.271350917411003
Energy: 0.9594402304094481
Energy: 0.8628628920796961
Energy: 0.5778218998365867
Energy: 1.0678989553377294
Energy: 0.5778218998333046
Energy: 1.0728060233896124
Energy: 0.9641428800391225
Energy: 0.9697270872828648
Energy: 0.9641428800358404
Energy: 1.0681911878293573
Energy: 0.7640019269070805
Energy: 1.067423350954682
Energy: 0.7640019269070805
Energy: 1.0656557039870507
Energy: 0.7629709164342264
Energy: 0.8652016367705178
Energy: 0.7629709164348828
Energy: 1.2757313284537601
Energy: 0.5253920199064114
Energy: 0.7588987620957556
Energy: 0.5253920199090371
Energy: 1.0704532757423137
Energy: 0.5277901550931303
Energy: 0.8730752514268434
Energy: 0.5277901550944432
Energy: 1.2686995437811632
Energy: 0.527672605165459
Energy: 0.6450381823141252
Energy: 0.5276726051667718
Energy: 1.374587008654314
Energy: 0.5254857485427299
Energy: 0.6463338118495309
Energy: 0.5254857485401043
Energy: 1.2669916855869021
Energy: 0.5303251298214988
Energy: 0.537386725728219
Energy: 0.530325129820186
Energy: 1.3752733370439123
Energy: 0.5264296774994517
Energy: 0.5278178244945148
Energy: 0.5264296774981388
Energy: 1.3687764065795889
Energy: 0.5269295749943013
Energy: 0.5291136046599277
Energy: 0.5269295749956141

minimum gb energy = 0.5237152841084116 eV
minimum distance =  2.28079108927767 Angstroms
sigma value = 85


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

Energy: 1.3719368393145825
Energy: 0.5001162118890828
Energy: 0.5002190029654583
Energy: 0.48998467493654707
Energy: 1.4013209844906678
Energy: 0.47451577342834456
Energy: 0.576754056566388
Energy: 0.4745157734289138
Energy: 1.2174403881824136
Energy: 0.47409574710027486
Energy: 0.5765635858749265
Energy: 0.47409574710081825
Energy: 1.0328405172833033
Energy: 0.47257617585771666
Energy: 0.7703622960044635
Energy: 0.47257617585771666
Energy: 1.3101230769750016
Energy: 0.4730585074081433
Energy: 0.7706856944607713
Energy: 0.47305850740871264
Energy: 1.0365297351612675
Energy: 0.47333361480216124
Energy: 0.7721489039548873
Energy: 0.47333361480273056
Energy: 1.0356807741474077
Energy: 0.696541674800212
Energy: 0.9501717847850043
Energy: 0.696541674800212
Energy: 1.130413031962471
Energy: 0.6962704769451651
Energy: 0.7631408195255059
Energy: 0.6962704769451651
Energy: 1.0412999813609056
Energy: 0.8923650595201091
Energy: 0.9509683567606394
Energy: 0.8923650595201091
Energy: 1.0400638934399362
Energy: 0.8907061915444678
Energy: 1.1304711064519932
Energy: 0.8907061915444678
Energy: 0.9503984439501098
Energy: 0.8895129785045556
Energy: 0.9473438080456433
Energy: 0.8895129785045556
Energy: 0.8609338981103997
Energy: 0.6956944721841722
Energy: 1.130974689998079
Energy: 0.6956944721847416
Energy: 0.9498657360881507
Energy: 0.6957493756364425
Energy: 1.1282252933163546
Energy: 0.6957493756353038
Energy: 0.7703535709058708
Energy: 0.6968627050456323
Energy: 0.9442928065636158
Energy: 0.696862705045063
Energy: 0.6671428760171112
Energy: 0.47255080084071144
Energy: 1.3111587566044824
Energy: 0.47255080084128076
Energy: 0.7703564634526178
Energy: 0.47361833369197914
Energy: 1.1274041382820255
Energy: 0.47361833369140977
Energy: 0.5759435219203068
Energy: 0.4750257961929918
Energy: 1.1256796037120111
Energy: 0.4750257961929918
Energy: 0.5708607942528614
Energy: 0.6265795316123712
Energy: 1.401753696557212
Energy: 0.6266044632228059
Energy: 0.5760658773228089
Energy: 0.4723159568767043
Energy: 1.3053695082190044
Energy: 0.4723159568772736
Energy: 0.4725015068578705
Energy: 0.4727613811628598
Energy: 1.305295729635058
Energy: 0.4727613811628598
Energy: 0.47361492062660643
Energy: 0.4724897810737481
Energy: 1.4022782923180896
Energy: 0.4724897810737481
Energy: 0.4724768733716321
Energy: 0.4725275266981435
Energy: 1.214704299304048
Energy: 0.4725275266987128
Energy: 0.5766073867369552
Energy: 0.472359469419401
Energy: 1.3949258397485542
Energy: 0.472359469419401
Energy: 0.575214951841837
Energy: 0.47265884889043003
Energy: 1.402511374622976
Energy: 0.47265884889043003
Energy: 0.5759653788612646
Energy: 0.47265963805316275
Energy: 1.032855443335538
Energy: 0.47265963805316275
Energy: 0.7711239791262672
Energy: 0.47314032260127287
Energy: 1.3974467016475343
Energy: 0.47314032260127287
Energy: 0.7703785634101503
Energy: 0.47263033366545265
Energy: 1.2191173888878917
Energy: 0.47263033366545265
Energy: 0.8762253725457317
Energy: 0.6972995308237523
Energy: 1.0357993428621803
Energy: 0.6972995308243215
Energy: 0.9520818662570376
Energy: 0.695920662291212
Energy: 1.2265740605563689
Energy: 0.6959206622917812
Energy: 0.9499170855533415
Energy: 0.6955691784467501
Energy: 1.0384730558878232
Energy: 0.6955691784473195
Energy: 1.130285573571056
Energy: 0.8894696960158055
Energy: 0.8573547376195279
Energy: 0.8894696960158055
Energy: 0.9473829985870533
Energy: 0.8894636983435891
Energy: 1.0494289284047957
Energy: 0.8894636983430197
Energy: 1.1295384562872703
Energy: 0.6952890965265576
Energy: 0.8577447338912783
Energy: 0.6952890965259882
Energy: 1.3093825684420797
Energy: 0.6957090946407128
Energy: 0.8586794865409172
Energy: 0.6957090946390049
Energy: 0.944292971981581
Energy: 0.6975332956554416
Energy: 0.770304633897605
Energy: 0.6975332956548723
Energy: 1.3087415684633439
Energy: 0.4725035675727108
Energy: 0.7702576589669216
Energy: 0.4725035675727108
Energy: 1.3072124168858896
Energy: 0.47305123717486997
Energy: 0.7715640462630761
Energy: 0.4730512371754393
Energy: 1.125724745051115
Energy: 0.4725915075037563
Energy: 0.576237967466906
Energy: 0.47259150750432555
Energy: 1.403436026031185
Energy: 0.47257339751369637
Energy: 0.575787923432566
Energy: 0.4725733975142657
Energy: 1.3053086150255189
Energy: 0.4724519384931164
Energy: 0.5764282055897461
Energy: 0.47245193849368566
Energy: 1.1227580099486543
Energy: 0.4724283905735287
Energy: 0.472072398530074
Energy: 0.4724283905735287
Energy: 1.402080144880552
Energy: 0.4723087612959569
Energy: 0.47298619124205465
Energy: 0.4723087612953876
Energy: 1.2145311667967726
Energy: 0.47259794435444763
Energy: 0.47287867900212577
Energy: 0.4725979443538783

minimum gb energy = 0.472072398530074 eV
minimum distance =  2.27569760387448 Angstroms
sigma value = 113


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

Energy: 0.014137026945006822
Energy: 0.45021517479114925
Energy: 1.1055634351280248
Energy: 0.01541874924164913
Energy: 0.7617959370133095
Energy: 0.11169833139704641
Energy: 0.7644088990421786
Energy: 0.11169833139619541
Energy: 0.014770933484002637
Energy: 0.11023258606048823
Energy: 0.7626495054868062
Energy: 0.11023258605963723
Energy: 0.015706916401643182
Energy: 0.10955732093027094
Energy: 0.760974227848496
Energy: 0.10955732093070861
Energy: 0.763888254475941
Energy: 0.11141722077247437
Energy: 0.7623717319064099
Energy: 0.11141722077291204
Energy: 0.014609026826492857
Energy: 0.1100639966130789
Energy: 0.7624897956721504
Energy: 0.11006399661264125

minimum gb energy = 0.014137026945006822 eV
minimum distance =  2.54014717030095 Angstroms
sigma value = 1