Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.976400002837181
cohesive_energy=5.5061018880676995
mass=195.084
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=[1.6596787533942597e-19, 2.61255728469942e-19, 3.4076214175555797e-19, 4.09378560459876e-19, 4.6962200407491e-19, 5.23041777405738e-19, 5.70690510500898e-19, 6.13335645968076e-19, 6.51555569572146e-19, 6.85810106007066e-19, 7.1646775589865595e-19, 7.438345349840099e-19, 7.68166791524568e-19, 7.89682421542554e-19, 8.0857048188078e-19, 8.2499279237928e-19, 8.390951511117479e-19, 8.51005732208904e-19, 8.60838290211762e-19, 8.68695364424898e-19, 8.74669881093084e-19, 8.78846755577922e-19, 8.8130129018121e-19, 8.82105582851478e-19, 8.81235600939216e-19, 8.78406157003572e-19, 8.73247148242092e-19, 8.653115673738899e-19, 8.540610830499419e-19, 8.38848415910112e-19, 8.1888849940374e-19, 7.932184253737919e-19, 7.6066540052418e-19, 7.1977464847123185e-19, 6.687405161484299e-19, 6.053023323252e-19, 5.26608222593022e-19, 4.29021245992716e-19, 3.0787265981280595e-19, 1.5708556829819339e-19, 2.9120361411266997e-19, 2.39714463625812e-19, 1.7070871599943198e-19, 7.7623855740666e-20, -4.926436801288559e-20, -2.24282298287124e-19, -4.69024392190428e-19, -8.174305186668e-19, -1.3252724463457797e-18, -2.08933446133404e-18, -3.2884675412849996e-18, -5.2744936532587196e-18, -8.830925236580219e-18, -1.596774094390152e-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: 0.017552026758153774
Energy: 0.10189986693357181
Energy: 0.7399387091780614
Energy: 0.01837732386196144
Energy: 0.10189986693308223
Energy: 0.8099690464353151
Energy: 0.018377323862969416
Energy: 0.8099689959342525
Energy: 0.7399386823341246
Energy: 0.01837732386245103
Energy: 0.017552026758153774
Energy: 0.10189986693357181
Energy: 0.01837732386196144
Energy: 0.80996890880096
Energy: 0.10189986693308223
Energy: 0.8099690160575647

minimum gb energy = 0.017552026758153774 eV
minimum distance =  2.70776831274165 Angstroms
sigma value = 1


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

Energy: 1.3566731668221177
Energy: 0.8623038995524991
Energy: 0.8627017308133773
Energy: 0.816639799749152
Energy: 0.846062431326465
Energy: 0.8877622876948654
Energy: 0.846768932793447
Energy: 0.887762287693608
Energy: 0.864048223761308
Energy: 0.8628284503939891
Energy: 0.8556173704078333
Energy: 0.8628284503939891
Energy: 0.8440525280889072
Energy: 0.8490112390330051
Energy: 0.8449517871309251
Energy: 0.8490112390317478
Energy: 0.8896904218255727
Energy: 0.8445687733032541
Energy: 0.8451924900792154
Energy: 0.8445687733397182
Energy: 0.8444509817152354
Energy: 0.906822638965018
Energy: 0.8446914181388776
Energy: 0.906822638963132
Energy: 0.8900108824820804
Energy: 0.9061876233844631
Energy: 0.8850970555955512
Energy: 0.9061876233844631
Energy: 0.8872698179764459
Energy: 0.9295575861090581
Energy: 0.8594729475112675
Energy: 0.9295575861122016
Energy: 0.8852405831912388
Energy: 0.9250691681047432
Energy: 0.8846590826149562
Energy: 0.9250691681053719
Energy: 0.8902990208805053
Energy: 0.9234806614748234
Energy: 0.892559714347858
Energy: 0.9234806614735661
Energy: 0.8804534667686709
Energy: 0.9244714543349029
Energy: 0.884719092956499
Energy: 0.9244714543355316
Energy: 0.8935880550601988
Energy: 0.9221567240148582
Energy: 0.8569718519365797
Energy: 0.9221567240148582
Energy: 0.893736075452611
Energy: 0.9072861048307483
Energy: 0.8890308578724028
Energy: 0.9072861048288622
Energy: 0.845008229366488
Energy: 0.9167811605419567
Energy: 0.8840736851250975
Energy: 0.9167811605419567
Energy: 0.8900678296306087
Energy: 0.8446696684052329
Energy: 0.8448756063479672
Energy: 0.8446696684058618
Energy: 0.8123460418876637
Energy: 0.8476276206595541
Energy: 0.8458482330500141
Energy: 0.8476276206582967
Energy: 0.8613126036359792
Energy: 0.8620571300688934
Energy: 0.8107712966903402
Energy: 0.8620571300682649
Energy: 0.8466098174312634
Energy: 0.8472579514262314
Energy: 0.875583412349312
Energy: 0.8472579514256028
Energy: 0.8563718601691588
Energy: 0.8626475384921607
Energy: 0.8631629459258015
Energy: 0.8626475384921607
Energy: 0.8434485463606457
Energy: 0.8458799274432569
Energy: 0.8441990874980896
Energy: 0.8458799274413709
Energy: 0.8450038830865261
Energy: 0.8467030723725006
Energy: 0.8857576727946362
Energy: 0.8467030723718719
Energy: 0.8447175938288591
Energy: 0.8456836640623354
Energy: 0.8432131400681829
Energy: 0.8456836640623354
Energy: 0.8853472396157166
Energy: 0.9070951198263439
Energy: 0.8861816143913919
Energy: 0.9070951198288587
Energy: 0.8535513387858028
Energy: 0.9080137304585143
Energy: 0.887827260535335
Energy: 0.9080137304585143
Energy: 0.8853720640564542
Energy: 0.9252586981172303
Energy: 0.8854917089874027
Energy: 0.9252586981172303
Energy: 0.8909180026597266
Energy: 0.9221048180018335
Energy: 0.8916267812845295
Energy: 0.9221048180012049
Energy: 0.8846359705669316
Energy: 0.9246271593061164
Energy: 0.8804895963804148
Energy: 0.9246271593036015
Energy: 0.8544648975802023
Energy: 0.9226195737099756
Energy: 0.8908285098925743
Energy: 0.9226195737099756
Energy: 0.8886822213577624
Energy: 0.9072068019899076
Energy: 0.8921612323486975
Energy: 0.9072068019917936
Energy: 0.888269692593604
Energy: 0.9093533170990155
Energy: 0.8443370579141019
Energy: 0.9093533170983868
Energy: 0.8449718345447466
Energy: 0.8444347793272214
Energy: 0.8900441345324509
Energy: 0.8444347793309935
Energy: 0.8456752346015497
Energy: 0.8448098222369834
Energy: 0.8117274147346125
Energy: 0.8448098222357261
Energy: 0.8106389432839124
Energy: 0.8439602905160088
Energy: 0.8615526047699735
Energy: 0.8439602905134941

minimum gb energy = 0.8106389432839124 eV
minimum distance =  2.47992081710918 Angstroms
sigma value = 1


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

Energy: 1.532086859763657
Energy: 0.91463311989719
Energy: 0.914045150749053
Energy: 0.8613544301189943
Energy: 0.904917120085723
Energy: 0.94133296968815
Energy: 0.8980858492278966
Energy: 0.9413329696895835
Energy: 0.9136699876540058
Energy: 0.9132968073149104
Energy: 0.9054247203082001
Energy: 0.9132968073213616
Energy: 0.9005454152536602
Energy: 0.8998093004879316
Energy: 0.897860815651477
Energy: 0.8998093004872149
Energy: 0.9017421709105558
Energy: 0.9001525049020836
Energy: 0.896702854543819
Energy: 0.9001525048992816
Energy: 0.8987079510360008
Energy: 0.9935504762480358
Energy: 0.8971404785812556
Energy: 0.9935504762494696
Energy: 0.8978691902829962
Energy: 0.9815636436625071
Energy: 0.9415647944826957
Energy: 0.9815636436553389
Energy: 0.9426157780470381
Energy: 0.9727316835983636
Energy: 0.910337105497335
Energy: 0.9727316835983636
Energy: 0.913064639750338
Energy: 0.9807225288380635
Energy: 0.8564558584403502
Energy: 0.9807225288366299
Energy: 0.9075190114422743
Energy: 0.9816064626945883
Energy: 0.9471607317517726
Energy: 0.9816064626967388
Energy: 0.9414399985254135
Energy: 0.9745041191491802
Energy: 0.8969309190060978
Energy: 0.9745041191556316
Energy: 0.9388219311394901
Energy: 0.9839714441725085
Energy: 0.8983006304499386
Energy: 0.9839714441788947
Energy: 0.8995130174571894
Energy: 0.9002940018127659
Energy: 0.9405713098472427
Energy: 0.9002940018098986
Energy: 0.8970539606794864
Energy: 0.8989935080628662
Energy: 0.8575333123230253
Energy: 0.8989935080579136
Energy: 0.8566595273567698
Energy: 0.9144565547229525
Energy: 0.9154426313473292
Energy: 0.9144565547222356
Energy: 0.9435621976263583
Energy: 0.9004535588553608
Energy: 0.897416955312985
Energy: 0.9004535588532104
Energy: 0.9162861225327396
Energy: 0.9143811573923062
Energy: 0.9011856387037834
Energy: 0.9143811573966072
Energy: 0.9000774166652136
Energy: 0.9005897182045045
Energy: 0.9012384790355533
Energy: 0.90058971819877
Energy: 0.9018411762603927
Energy: 0.9013000019898915
Energy: 0.8985404004252548
Energy: 0.9013000019884579
Energy: 0.8969379721809465
Energy: 0.9004995737703892
Energy: 0.8990696697306555
Energy: 0.9004995737689556
Energy: 0.9463830639749098
Energy: 0.9851682846744197
Energy: 0.944711502494008
Energy: 0.9851682846715524
Energy: 0.9426223298782458
Energy: 0.9739533406385582
Energy: 0.9060078648937736
Energy: 0.9739533406442928
Energy: 0.8982135421983931
Energy: 0.9810278054244409
Energy: 0.9461084905849267
Energy: 0.9810278054265913
Energy: 0.9055097260526084
Energy: 0.9810407447318419
Energy: 0.9474920192689285
Energy: 0.9810407447289746
Energy: 0.9415702415508594
Energy: 0.9735690178709231
Energy: 0.8959454513221882
Energy: 0.973569017875224
Energy: 0.9424240860541679
Energy: 0.9752749429985134
Energy: 0.8981699304293523
Energy: 0.975274942999947
Energy: 0.8996146484900124
Energy: 0.9002008276570994
Energy: 0.9418060836883486
Energy: 0.9002008276578162
Energy: 0.8969309890475141
Energy: 0.9007055357188956
Energy: 0.8569046856684658
Energy: 0.9007055357138777
Energy: 0.8564980416087282
Energy: 0.895757959587915
Energy: 0.9151075253968572
Energy: 0.8957579595893486

minimum gb energy = 0.8564558584403502 eV
minimum distance =  2.47939214568061 Angstroms
sigma value = 25


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

Energy: 1.4675902409217947
Energy: 0.9748684876314112
Energy: 0.9762546552101491
Energy: 0.9141622081700382
Energy: 0.926205291463807
Energy: 0.9992285884265151
Energy: 0.9260794274944756
Energy: 0.9992285884273483
Energy: 0.9757174842031182
Energy: 0.9749200749556233
Energy: 0.9582309204208956
Energy: 0.9749200749531233
Energy: 0.9126835440729465
Energy: 0.958568194555976
Energy: 0.927641491056655
Energy: 0.958568194555976
Energy: 0.9307831075279558
Energy: 0.9641971462259686
Energy: 0.958475446228021
Energy: 0.9641971462276353
Energy: 0.9586809480794398
Energy: 1.0631874207173293
Energy: 0.9596604609215486
Energy: 1.0631874207164962
Energy: 0.9561140299002755
Energy: 1.0503281452244415
Energy: 0.9551490909418578
Energy: 1.0503281452236082
Energy: 1.0056322710533547
Energy: 1.0420833321000815
Energy: 0.923007999709024
Energy: 1.0420833321017484
Energy: 0.9562815415960093
Energy: 1.048436035899939
Energy: 0.9079756965048067
Energy: 1.048436035899939
Energy: 0.9595197425437603
Energy: 1.049443917612312
Energy: 0.9600316323412874
Energy: 1.049443917612312
Energy: 0.90783904542243
Energy: 0.964671804033915
Energy: 0.9595690485381684
Energy: 0.9646718040355815
Energy: 0.9084633605726735
Energy: 0.9642617487689297
Energy: 0.9254812482445716
Energy: 0.9642617487714294
Energy: 0.9747411180212495
Energy: 0.9751549676548044
Energy: 0.907890467951916
Energy: 0.9751549676556376
Energy: 0.9245384120389568
Energy: 0.9647968600988596
Energy: 0.908456016361663
Energy: 0.9647968601129876
Energy: 0.9578440863684834
Energy: 0.9750637673480245
Energy: 0.9793320334794549
Energy: 0.9750637673471912
Energy: 0.915435217884922
Energy: 0.9645029722173334
Energy: 0.9110292835704129
Energy: 0.9645029721981679
Energy: 0.9596519894818147
Energy: 0.960202766493746
Energy: 0.9311449021434429
Energy: 0.9602027664929128
Energy: 0.962018153209499
Energy: 0.9580597366018925
Energy: 0.9144149524444862
Energy: 0.9580597366010591
Energy: 0.9555631332084991
Energy: 1.052732041977993
Energy: 0.9564508511322577
Energy: 1.0527320419788264
Energy: 0.9239335772374067
Energy: 1.0498472039960003
Energy: 0.9566788134630619
Energy: 1.0498472039960003
Energy: 0.9083810755548272
Energy: 1.0481567810824441
Energy: 0.9560666824921795
Energy: 1.0481567810816106
Energy: 1.0052396235101944
Energy: 1.0486488765675346
Energy: 0.9582093651087289
Energy: 1.0486488765675346
Energy: 0.9611804514512764
Energy: 0.9652057427870727
Energy: 0.9079492961783366
Energy: 0.9652057427870727
Energy: 0.9632592255915244
Energy: 0.9640939726587311
Energy: 0.9080998228682958
Energy: 0.9640939726570644
Energy: 0.908482406652285
Energy: 0.955638498667597
Energy: 0.9753091939210371
Energy: 0.955638498667597

minimum gb energy = 0.90783904542243 eV
minimum distance =  2.48028312814167 Angstroms
sigma value = 9


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

Energy: 1.3700644643780915
Energy: 1.0453335402009893
Energy: 1.0467371220241715
Energy: 0.974478112711099
Energy: 1.031383277733842
Energy: 1.0626749612976472
Energy: 1.0311688085313169
Energy: 1.0626749612986413
Energy: 1.0455193542467227
Energy: 1.0446107329783358
Energy: 1.0456088798903185
Energy: 1.0446107329803238
Energy: 1.0224720970631367
Energy: 1.0519402539143734
Energy: 1.031288288837215
Energy: 1.0519402539113913
Energy: 1.027547297009041
Energy: 1.049494085306284
Energy: 1.0295952258919887
Energy: 1.0494940853082724
Energy: 1.022556729737378
Energy: 1.1292433841244915
Energy: 1.0313161785899996
Energy: 1.1292433841254854
Energy: 1.0758429991270333
Energy: 1.125532704306231
Energy: 1.031125364951921
Energy: 1.125532704305237
Energy: 1.0312917851573096
Energy: 1.1263182101209184
Energy: 1.0322674883931118
Energy: 1.1263182101199243
Energy: 1.0331385161729416
Energy: 1.0507896753671364
Energy: 0.9648886256314564
Energy: 1.0507896753681307
Energy: 1.0309441196329379
Energy: 1.051213430644779
Energy: 0.9644355412176904
Energy: 1.0512134306437848
Energy: 0.9656437459380818
Energy: 1.0448398039216538
Energy: 1.0439857801215615
Energy: 1.0448398039216538
Energy: 1.0782128988564323
Energy: 1.0521609390160078
Energy: 1.0310116653533494
Energy: 1.0521609390150137
Energy: 1.0463836536360462
Energy: 1.0449277424316732
Energy: 1.0624890864113854
Energy: 1.0449277424316732
Energy: 1.022914754505725
Energy: 1.051390854047667
Energy: 1.0198507877194174
Energy: 1.051390854045679
Energy: 1.0271701314143975
Energy: 1.0588234645450463
Energy: 1.0300475647619236
Energy: 1.0588234645450463
Energy: 1.0231249352739427
Energy: 1.0499557037254041
Energy: 1.0294061170187006
Energy: 1.0499557037283866
Energy: 1.079107758400961
Energy: 1.127445254942774
Energy: 1.0310817635003036
Energy: 1.127445254942774
Energy: 1.0768643365777226
Energy: 1.1274236119604801
Energy: 1.0326046877157486
Energy: 1.127423611962468
Energy: 1.038892409231621
Energy: 1.050691652659406
Energy: 0.9642509756328307
Energy: 1.0506916526584118
Energy: 1.0309452804179176
Energy: 1.0506966950464223
Energy: 0.9642440368033528
Energy: 1.0506966950464223
Energy: 0.9629311498762735
Energy: 1.022074167789358
Energy: 1.0449854022067238
Energy: 1.0220741677883638

minimum gb energy = 0.9629311498762735 eV
minimum distance =  2.50663560661138 Angstroms
sigma value = 25


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

Energy: 1.2285420770583113
Energy: 1.1331410889017743
Energy: 1.1346196265487587
Energy: 1.0419137581387532
Energy: 1.060041716350499
Energy: 1.103441650579207
Energy: 1.0581173782222149
Energy: 1.103441650579207
Energy: 1.1332637923208158
Energy: 1.1328079503358486
Energy: 1.149307138666183
Energy: 1.1328079503358486
Energy: 1.13218190817956
Energy: 1.1044889293614213
Energy: 1.0586368361742502
Energy: 1.1044889293614213
Energy: 1.0528758403405976
Energy: 1.1385496535904418
Energy: 1.0597537872057574
Energy: 1.1385496535904418
Energy: 1.0350326015516276
Energy: 1.1424457256088485
Energy: 1.0560829287024394
Energy: 1.1424457256088485
Energy: 1.0312600929442506
Energy: 1.1368846974397395
Energy: 1.05769937054089
Energy: 1.1368846974385105
Energy: 1.0308197860405208
Energy: 1.1355406489938573
Energy: 1.0611326844223798
Energy: 1.1355406489938573
Energy: 1.1318754919039138
Energy: 1.1322672347823346
Energy: 1.2238065514076233
Energy: 1.1322672347835643
Energy: 1.0574948029443734
Energy: 1.1383373871732507
Energy: 1.129833209593033
Energy: 1.1383373871732507
Energy: 1.1485590778891277
Energy: 1.13270190696267
Energy: 1.1402015810579949
Energy: 1.1327019069602116
Energy: 1.0326518904375528
Energy: 1.106037549630882
Energy: 1.132099170744754
Energy: 1.106037549630882
Energy: 1.056612915470591
Energy: 1.1425057382726196
Energy: 1.052803092205661
Energy: 1.1425057382726196
Energy: 1.0587983040127087
Energy: 1.1379054354887521
Energy: 1.0374876732042235
Energy: 1.1379054354887521
Energy: 1.0587880454302165
Energy: 1.1353529032769165
Energy: 1.0310061274193998
Energy: 1.1353529032769165
Energy: 1.0576335664292875
Energy: 1.1363091041849747
Energy: 1.0310216525167757
Energy: 1.1363091041849747
Energy: 1.217327908590449
Energy: 1.0370299834561612
Energy: 1.1322080263365475
Energy: 1.0370299834561612

minimum gb energy = 1.0308197860405208 eV
minimum distance =  2.53574401482252 Angstroms
sigma value = 17


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

Energy: 1.647445528346205
Energy: 1.2288784528191985
Energy: 1.2305367498876538
Energy: 1.17068205982957
Energy: 1.083596286862451
Energy: 1.077854203303016
Energy: 1.1820713865653434
Energy: 1.07785420329118
Energy: 1.1178333959032292
Energy: 1.1126153014991642
Energy: 1.236426191867802
Energy: 1.1126153014984679
Energy: 1.1129597309196753
Energy: 1.1619703542746105
Energy: 1.1105044373061828
Energy: 1.1619703542746105
Energy: 1.1149933288841773
Energy: 1.2081218023277485
Energy: 1.0601612626409858
Energy: 1.208121802365282
Energy: 1.1123888088159517
Energy: 1.1710571029966133
Energy: 1.1136419091049614
Energy: 1.1710571030007908
Energy: 1.1609618079634556
Energy: 1.112342460204174
Energy: 1.1112643966476143
Energy: 1.112342460204174
Energy: 1.2892294261873376
Energy: 1.1126486463558454
Energy: 1.0804491599688306
Energy: 1.1126486463572378
Energy: 1.236874526592817
Energy: 1.2297220391617047
Energy: 1.2394942995349236
Energy: 1.2297220391596162
Energy: 1.2289766800831523
Energy: 1.17498148697032
Energy: 1.1103104677429423
Energy: 1.1749814869710162
Energy: 1.1116924116768658
Energy: 1.0771247494020537
Energy: 1.0756655885933735
Energy: 1.0771247493999652
Energy: 1.1629146668877286
Energy: 1.077649538031309
Energy: 1.0798331886381596
Energy: 1.077649538031309
Energy: 1.1602984470893287
Energy: 1.1211024498495081
Energy: 1.0825071070016805
Energy: 1.1211024498509004
Energy: 1.1608015374626068
Energy: 1.077609190340453
Energy: 1.0770456483568822
Energy: 1.077609190559008
Energy: 1.2298255874579607
Energy: 1.1619761129484618
Energy: 1.2892989537996242
Energy: 1.1619761129477655
Energy: 1.1870966233656297
Energy: 1.1615220603665226
Energy: 1.2900654907211655
Energy: 1.161522060367915
Energy: 1.233781959455363
Energy: 1.111556252557193
Energy: 1.07747515681272
Energy: 1.1115562525578893
Energy: 1.2324512594778263
Energy: 1.1112911519612787
Energy: 1.1091569588811543
Energy: 1.1112911519626711
Energy: 1.1168883460987864
Energy: 1.2080882150402545
Energy: 1.1144660684980312
Energy: 1.2080882150409507
Energy: 1.1699588090273028
Energy: 1.209954101469297
Energy: 1.1134057387175487
Energy: 1.2099541014686008
Energy: 1.113228435189657
Energy: 1.1148371882270487
Energy: 1.1593446608030358
Energy: 1.1148371882270487
Energy: 1.1133877317124317
Energy: 1.1229364498321823
Energy: 1.1603812203837038
Energy: 1.1229364498342709
Energy: 1.1801846404199143
Energy: 1.1642910986163364
Energy: 1.1821342503654109
Energy: 1.1642910986128552
Energy: 1.2402791160517306
Energy: 1.2290486490564643
Energy: 1.227735173798882
Energy: 1.2290486490585533
Energy: 1.0830019205934835
Energy: 1.119630989759372
Energy: 1.2287633642068774
Energy: 1.1196309897558907
Energy: 1.080363348308914
Energy: 1.0779939597820276
Energy: 1.11138358829163
Energy: 1.0779939597792427
Energy: 1.075369913787604
Energy: 1.0824031121469357
Energy: 1.1600440607390854
Energy: 1.082403112144847
Energy: 1.0792825002232274
Energy: 1.077256284704051
Energy: 1.1599131234503859
Energy: 1.07725628470614
Energy: 1.0827803134624556
Energy: 1.1198869403254297
Energy: 1.170418433145017
Energy: 1.1198869403275187
Energy: 1.295420200404478
Energy: 1.2288028169309217
Energy: 1.2285840926564477
Energy: 1.2288028169316179

minimum gb energy = 1.0601612626409858 eV
minimum distance =  2.53425395204281 Angstroms
sigma value = 53


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

Energy: 1.5026736860601946
Energy: 1.1771845189986796
Energy: 1.1747071637860025
Energy: 1.030864980497323
Energy: 1.1718344167551968
Energy: 1.0854592830074183
Energy: 1.1723994632628116
Energy: 1.0854592830058156
Energy: 1.1745559578235454
Energy: 1.1762036765981203
Energy: 1.1748968713012216
Energy: 1.1762036765981203
Energy: 1.174459115347051
Energy: 1.085724795361923
Energy: 1.1706060005408345
Energy: 1.08572479536032
Energy: 1.1777402251845062
Energy: 1.0857061730667952
Energy: 1.026432820314763
Energy: 1.0857061730651925
Energy: 1.170736866379628
Energy: 1.0860366431908324
Energy: 1.0275085339218952
Energy: 1.0860366431908324
Energy: 1.3004123358442023
Energy: 1.1729514383451989
Energy: 1.1714779939855196
Energy: 1.1729514383484048
Energy: 1.3009544727822717
Energy: 1.087482876284066
Energy: 1.1696939123582273
Energy: 1.087482876284066
Energy: 1.1742771278345787
Energy: 1.1746195516490099
Energy: 1.1735217817189079
Energy: 1.1746195516506128
Energy: 1.1700355638021394
Energy: 1.0876539442043327
Energy: 1.1739780243390123
Energy: 1.0876539442027295
Energy: 1.17636468999989
Energy: 1.0877171871268934
Energy: 1.0293642561552685
Energy: 1.0877171871284965
Energy: 1.173868826231389
Energy: 1.0858431846847234
Energy: 1.0234726244068888
Energy: 1.0858431846878924
Energy: 1.3007306524426079
Energy: 1.0903012303607245
Energy: 1.168969057216914
Energy: 1.0903012303591215

minimum gb energy = 1.0234726244068888 eV
minimum distance =  2.52550686466767 Angstroms
sigma value = 9


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

Energy: 1.4524197495994924
Energy: 1.286417033812863
Energy: 1.2894352770931559
Energy: 1.1964565291114313
Energy: 1.096095608488201
Energy: 1.0943703442932344
Energy: 1.2778273626582735
Energy: 1.0943703442962005
Energy: 1.0925021796770344
Energy: 1.092750984255713
Energy: 1.2654443071461354
Energy: 1.092750984255713
Energy: 1.0917261296688565
Energy: 1.0927475531441153
Energy: 1.3422756239377587
Energy: 1.092747553142929
Energy: 1.091712514603528
Energy: 1.0929445382677223
Energy: 1.3529097780016361
Energy: 1.092944538268909
Energy: 1.0936417541606602
Energy: 1.0928181757461506
Energy: 1.3506626160017434
Energy: 1.0928181757491169
Energy: 1.278906040473071
Energy: 1.2657410754095382
Energy: 1.277130472261364
Energy: 1.2657410754119112
Energy: 1.279691658444259
Energy: 1.1946525230376726
Energy: 1.2646507131054279
Energy: 1.1946525230394522
Energy: 1.1391984587553172
Energy: 1.2087045508792518
Energy: 1.1522891103458506
Energy: 1.2087045508786587
Energy: 1.0940739891086404
Energy: 1.1940070726416065
Energy: 1.267701173611174
Energy: 1.1940070726427932
Energy: 1.135224858980876
Energy: 1.1377257857691727
Energy: 1.2154811814077775
Energy: 1.1377257857697658
Energy: 1.151061379437102
Energy: 1.1390473924612727
Energy: 1.3428576036897326
Energy: 1.1390473924630524
Energy: 1.2786926367988567
Energy: 1.1371434753571517
Energy: 1.1542356485255607
Energy: 1.1371434753565584
Energy: 1.2785013862611634
Energy: 1.1382282899671117
Energy: 1.1392430911269062
Energy: 1.1382282899659253
Energy: 1.26407124445866
Energy: 1.1919394309501443
Energy: 1.143047825903166
Energy: 1.1919394309501443
Energy: 1.1850558245259124
Energy: 1.2085572969791378
Energy: 1.1443218067500691
Energy: 1.2085572969785447
Energy: 1.2698524956278736
Energy: 1.214071450298602
Energy: 1.138652083332012
Energy: 1.2140714502974157
Energy: 1.273190769302711
Energy: 1.266599917500463
Energy: 1.3457065343113384
Energy: 1.2665999174986833
Energy: 1.281871414134499
Energy: 1.0932734940612618
Energy: 1.1441625767781585
Energy: 1.093273494061855
Energy: 1.2655132260857611
Energy: 1.092679177459199
Energy: 1.0923036068636567
Energy: 1.0926791774568259
Energy: 1.3424903491204676
Energy: 1.0931061606872368
Energy: 1.0918651292941643
Energy: 1.09310616068783
Energy: 1.3522158287265835
Energy: 1.0931974222109444
Energy: 1.0917152037452134
Energy: 1.093197422210351
Energy: 1.3524354614451355
Energy: 1.0927635483310765
Energy: 1.0926646726208669
Energy: 1.0927635483298899
Energy: 1.2784747348573164
Energy: 1.2650937422587731
Energy: 1.2790149408236045
Energy: 1.2650937422581798
Energy: 1.2644878978677312
Energy: 1.2654425654310717
Energy: 1.2796069482284984
Energy: 1.2654425654328514
Energy: 1.1503631882267098
Energy: 1.2115405348919575
Energy: 1.1380411568395505
Energy: 1.2115405348913644
Energy: 1.269102048365184
Energy: 1.1942495179641828
Energy: 1.0943414117926284
Energy: 1.1942495179950314
Energy: 1.219358816762859
Energy: 1.1386260925524923
Energy: 1.136052948899149
Energy: 1.1386260925536786
Energy: 1.3434495859777977
Energy: 1.1446059137777442
Energy: 1.1489328432383197
Energy: 1.1446059137777442
Energy: 1.1545654501831164
Energy: 1.1393930905012248
Energy: 1.279397989349061
Energy: 1.1393930905024114
Energy: 1.1406429814453167
Energy: 1.139089200118275
Energy: 1.263117596235502
Energy: 1.139089200118868
Energy: 1.140559163874934
Energy: 1.1904104594066938
Energy: 1.2638257473867611
Energy: 1.1904104594078804
Energy: 1.1471313552355182
Energy: 1.209342623692939
Energy: 1.1844207711566095
Energy: 1.209342623692939
Energy: 1.1371619126298123
Energy: 1.2128443569442557
Energy: 1.1924508716284254
Energy: 1.212844356947222
Energy: 1.3452954017480738
Energy: 1.26759435699808
Energy: 1.2707932249710099
Energy: 1.26759435699808

minimum gb energy = 1.091712514603528 eV
minimum distance =  2.527772733114 Angstroms
sigma value = 73


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

Energy: 1.5502473835168202
Energy: 1.2388814820699665
Energy: 1.2394497291730904
Energy: 1.1398875585226678
Energy: 1.1035755208154765
Energy: 1.0988264453617913
Energy: 1.2101029380996389
Energy: 1.09882644536838
Energy: 1.0959650743705176
Energy: 1.097522564306661
Energy: 1.2436908765618329
Energy: 1.097522564306661
Energy: 1.0937897342265974
Energy: 1.0970770408825319
Energy: 1.3155731772387604
Energy: 1.0970770408806492
Energy: 1.0970051223555601
Energy: 1.0993001638640199
Energy: 1.3213436460498797
Energy: 1.0993001638659023
Energy: 1.1492700459657774
Energy: 1.1001303896619963
Energy: 1.3209934263801586
Energy: 1.1001303896629375
Energy: 1.2133948328842201
Energy: 1.244089196822494
Energy: 1.257559051312441
Energy: 1.244089196821553
Energy: 1.2132298596847446
Energy: 1.2445066028794667
Energy: 1.2413439740309489
Energy: 1.2445066028785257
Energy: 1.151861141047876
Energy: 1.2103265746267615
Energy: 1.2441532548331353
Energy: 1.2103265746277028
Energy: 1.129291399321443
Energy: 1.1511222410042765
Energy: 1.243991413202489
Energy: 1.1511222410071003
Energy: 1.1590546049332968
Energy: 1.0773589340958367
Energy: 1.245795586611584
Energy: 1.0773589340930128
Energy: 1.142784256152233
Energy: 1.079601748178242
Energy: 1.3084024418450952
Energy: 1.0796017481773008
Energy: 1.2508524332759539
Energy: 1.1466330123969641
Energy: 1.1357104713849897
Energy: 1.1466330123931994
Energy: 1.2432977511769854
Energy: 1.1377901136661122
Energy: 1.1336185429205652
Energy: 1.1377901136679947
Energy: 1.2617914561272134
Energy: 1.1362161899898953
Energy: 1.1309120913138906
Energy: 1.1362161899889538
Energy: 1.3211860463214067
Energy: 1.1328833769897781
Energy: 1.13274132661591
Energy: 1.1328833769926017
Energy: 1.3215411869025535
Energy: 1.2135845743311888
Energy: 1.1340666490832227
Energy: 1.21358457433213
Energy: 1.2191126859949288
Energy: 1.2180418481273516
Energy: 1.2133840397446751
Energy: 1.2180418481273516
Energy: 1.2077568358332156
Energy: 1.16749469652488
Energy: 1.2139652263374585
Energy: 1.1674946965239388
Energy: 1.2094889238521798
Energy: 1.1652576414957037
Energy: 1.2055858466840799
Energy: 1.1652576414957037
Energy: 1.2088156986124416
Energy: 1.1668833023961949
Energy: 1.130966367117121
Energy: 1.1668833023952536
Energy: 1.3248456086720948
Energy: 1.203908458998565
Energy: 1.202326097198085
Energy: 1.2039084590013887

minimum gb energy = 1.0773589340930128 eV
minimum distance =  2.51955000604603 Angstroms
sigma value = 7


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

Energy: 1.8055394363669643
Energy: 1.2000364736061373
Energy: 1.246629294248756
Energy: 1.1072045880180215
Energy: 1.0966350514336405
Energy: 1.1611422421904245
Energy: 1.3245171069274488
Energy: 1.1611422421930262
Energy: 1.0948998410843584
Energy: 1.097212366263905
Energy: 1.2029816995991751
Energy: 1.0972123662698952
Energy: 1.09554253045811
Energy: 1.0973133673022648
Energy: 1.3101733512697533
Energy: 1.0973133672922815
Energy: 1.0947388232940751
Energy: 1.0954395688311387
Energy: 1.2851314184743245
Energy: 1.0954395688318042
Energy: 1.103698539986719
Energy: 1.096607974187641
Energy: 1.2841011951981383
Energy: 1.0966079741889723
Energy: 1.3121367024858257
Energy: 1.0956249029176448
Energy: 1.1017736072087634
Energy: 1.0956249029129856
Energy: 1.3139982220307236
Energy: 1.0968203379804649
Energy: 1.0955855495115598
Energy: 1.0968203379658228
Energy: 1.3115211581401862
Energy: 1.1003978103431724
Energy: 1.099342056051128
Energy: 1.1003978103431724
Energy: 1.313278111547418
Energy: 1.0965660270778326
Energy: 1.0942072619879883
Energy: 1.0965660270804949
Energy: 1.2045161610285824
Energy: 1.194140708570635
Energy: 1.3128176906937574
Energy: 1.1941407085686384
Energy: 1.1946580242362295
Energy: 1.1942284168610362
Energy: 1.313025674037583
Energy: 1.1942284168636983
Energy: 1.1921455749553262
Energy: 1.1563245628428591
Energy: 1.1927789856136835
Energy: 1.156324562852177
Energy: 1.1957642616763524
Energy: 1.1550365472586108
Energy: 1.1052041091032012
Energy: 1.1550365472579451
Energy: 1.1930195416041065
Energy: 1.1563656634122639
Energy: 1.1013806145581195
Energy: 1.1563656634129293
Energy: 1.340001492737245
Energy: 1.1942531767163898
Energy: 1.1948128029131355
Energy: 1.1942531767183864
Energy: 1.3430390315058218
Energy: 1.194372419510561
Energy: 1.2030032854894805
Energy: 1.1943724195132233
Energy: 1.094941581615015
Energy: 1.1005060398859694
Energy: 1.2120546402333954
Energy: 1.100506039892625
Energy: 1.0999427478462476
Energy: 1.1004271166860893
Energy: 1.3112575497015833
Energy: 1.1004271166807649
Energy: 1.0952483824847632
Energy: 1.0970540783726932
Energy: 1.3470201993370101
Energy: 1.0970540783786833
Energy: 1.1021867529580438
Energy: 1.0954263148694403
Energy: 1.288835064835866
Energy: 1.095426314866778
Energy: 1.3179234593299345
Energy: 1.0960908039930297
Energy: 1.103384040585668
Energy: 1.096090804001682
Energy: 1.3190245324967305
Energy: 1.0954304972072477
Energy: 1.094264596817606
Energy: 1.0954304971999267
Energy: 1.3103486714513481
Energy: 1.09700253002002
Energy: 1.0958415587185915
Energy: 1.097002530009371
Energy: 1.2799208971578029
Energy: 1.0969546253726505
Energy: 1.09349370893563
Energy: 1.096954625369988
Energy: 1.278215428852552
Energy: 1.103431369436156
Energy: 1.0966800766695606
Energy: 1.1034313694301658
Energy: 1.2461414726885864
Energy: 1.1993881505383268
Energy: 1.559074473933923
Energy: 1.1993881505343338
Energy: 1.1912939519942816
Energy: 1.1589056484199665
Energy: 1.1958480037731871
Energy: 1.1589056484199665
Energy: 1.2036146897761923
Energy: 1.155979389617668
Energy: 1.1921544718649784
Energy: 1.1559793896243236
Energy: 1.1927196857329476
Energy: 1.1594073148273172
Energy: 1.1047414362170782
Energy: 1.1594073148273172
Energy: 1.3478527208010984
Energy: 1.19325437113147
Energy: 1.1926807985279104
Energy: 1.1932543711374597

minimum gb energy = 1.09349370893563 eV
minimum distance =  2.49326021111195 Angstroms
sigma value = 29


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

Energy: 1.0311090223787827
Energy: 1.1150886209202315
Energy: 1.163409070999987
Energy: 1.0333009389582744
Energy: 1.0477908284109467
Energy: 1.1134334814013576
Energy: 1.0484734710102108
Energy: 1.1134334814036244
Energy: 1.0450197339207252
Energy: 1.1008017676266655
Energy: 1.0349634138624282
Energy: 1.1008017676266655
Energy: 1.0378952366784255
Energy: 1.0468682581797373
Energy: 1.046978423775211
Energy: 1.0468682581797373
Energy: 1.0446770262621197
Energy: 1.0502723836160148
Energy: 1.035577444815058
Energy: 1.0502723836160148
Energy: 1.0452527852024525
Energy: 1.1077337538115173
Energy: 1.036612720130205
Energy: 1.1077337538115173
Energy: 1.0330501709843865
Energy: 1.1008614144694988
Energy: 1.045674470970215
Energy: 1.1008614144694988
Energy: 1.0478599961245072
Energy: 1.051266595328289
Energy: 1.0417891435234612
Energy: 1.0512665953305556
Energy: 1.0507496114398795
Energy: 1.0481490755621645
Energy: 1.0496055180937394
Energy: 1.0481490755621645

minimum gb energy = 1.0311090223787827 eV
minimum distance =  2.50637166410746 Angstroms
sigma value = 5


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

Energy: 1.5258462022292634
Energy: 1.0122116367520186
Energy: 1.1683420661930062
Energy: 0.9955294578766027
Energy: 1.1676382477061091
Energy: 1.0119306149396443
Energy: 1.177620276678313
Energy: 1.011930614942159
Energy: 1.1771044772487556
Energy: 1.0799578538874461
Energy: 1.1801394161044245
Energy: 1.079957853897505
Energy: 1.118195998175197
Energy: 1.0831880345510683
Energy: 1.1681642498256664
Energy: 1.0831880345592413
Energy: 1.1058842796126696
Energy: 1.0087452187089596
Energy: 1.1134659896385715
Energy: 1.0087452187058157
Energy: 1.0100407939399814
Energy: 1.0089800368209978
Energy: 1.1129066158444314
Energy: 1.0089800368247699
Energy: 1.0078515273725068
Energy: 1.008098696784454
Energy: 1.1690389124274572
Energy: 1.008098696785083
Energy: 1.0200414853215338
Energy: 1.0121806271450284
Energy: 1.2326370105172997
Energy: 1.012180627148172
Energy: 1.1607842203775283
Energy: 1.039262891979995
Energy: 1.2403329489836707
Energy: 1.039262891976223
Energy: 1.3122008110630083
Energy: 0.9962986639199275
Energy: 0.9990001899757152
Energy: 0.9962986639117545
Energy: 1.1595800337372506
Energy: 0.9938107850759209
Energy: 0.9943152615076479
Energy: 0.9938107850771782
Energy: 1.241653518458571
Energy: 0.9933970875408161
Energy: 0.993526370937617
Energy: 0.9933970875439596
Energy: 1.2610882217296384
Energy: 0.9935882802555237
Energy: 1.0064059739036681
Energy: 0.9935882802605533
Energy: 1.0640180659341016
Energy: 0.9847674822463929
Energy: 1.262379207181465
Energy: 0.9847674822463929
Energy: 1.080871438058393
Energy: 0.988562316827062
Energy: 1.2498885089032836
Energy: 0.9885623168276906
Energy: 1.0779057248455803
Energy: 0.9830532422191751
Energy: 1.0277450218098778
Energy: 0.9830532422160316
Energy: 1.077729509560896
Energy: 0.983090901541067
Energy: 1.0260313708158757
Energy: 0.9830909015448391
Energy: 1.2261991764521305
Energy: 0.9864114041068439
Energy: 1.0297787817109936
Energy: 0.9864114041062152
Energy: 1.219659451006946
Energy: 1.0573175389300957
Energy: 1.0467860398653206
Energy: 1.057317538935125
Energy: 1.2214083926787378
Energy: 1.1345661046154365
Energy: 1.1192960005514434
Energy: 1.1345661046166937
Energy: 1.1032011189614346
Energy: 1.0166029796260192
Energy: 1.0295452825691944
Energy: 1.0166029796348208
Energy: 1.11352208234442
Energy: 1.0148223740973719
Energy: 1.0155080231332665
Energy: 1.014822374092971
Energy: 1.2925209971662237
Energy: 1.014916517019962
Energy: 1.0151059581762687
Energy: 1.0149165170168188
Energy: 1.2335794113992362
Energy: 1.017671419812431
Energy: 1.0231944700094735
Energy: 1.0176714198149457
Energy: 1.2426639134919002
Energy: 1.115975076247514
Energy: 1.0976079298555952
Energy: 1.1159750762468852
Energy: 0.9890624626294078
Energy: 1.0568522514002692
Energy: 1.3125451189887705
Energy: 1.0568522514027838
Energy: 0.9895526964760414
Energy: 0.9886179953025309
Energy: 1.0350067026480207
Energy: 0.9886179953000162
Energy: 0.988143638768226
Energy: 0.9880840943433644
Energy: 1.0310877406947365
Energy: 0.9880840943414784
Energy: 0.9891762014574826
Energy: 0.9886969206907964
Energy: 1.266880430497931
Energy: 0.9886969206933112
Energy: 1.2600428526756875
Energy: 1.036206781084766
Energy: 1.0316205713392512
Energy: 1.0362067810879094
Energy: 1.261424298311377
Energy: 1.009349074206779
Energy: 1.0118854329380147
Energy: 1.009349074204893
Energy: 1.1668474722518265
Energy: 1.0090529862199935
Energy: 1.0108519635702438
Energy: 1.0090529862181072
Energy: 1.017236872805545
Energy: 1.0078815794913059
Energy: 1.00851057342218
Energy: 1.007881579496964

minimum gb energy = 0.9830532422160316 eV
minimum distance =  2.49795346365377 Angstroms
sigma value = 1


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

Energy: 1.5084436952457974
Energy: 0.9530152949586491
Energy: 1.1228558778550342
Energy: 0.9248108469974664
Energy: 0.9533355971719363
Energy: 0.9539598251296112
Energy: 1.1824660502671664
Energy: 0.9539598251287418
Energy: 1.1810668379978406
Energy: 1.044490421847973
Energy: 1.1841703220404463
Energy: 1.0444904218418878
Energy: 0.9737345059741435
Energy: 1.0445469816817992
Energy: 1.1718010670834054
Energy: 1.0445469816826685
Energy: 0.9519267552845898
Energy: 0.9501219875172805
Energy: 1.1688227822782662
Energy: 0.9501219875181498
Energy: 0.9503084526737653
Energy: 0.9503823970390558
Energy: 1.1720287913141918
Energy: 0.9503823970407943
Energy: 0.9480810449068942
Energy: 0.9493942130064905
Energy: 1.1725049834393058
Energy: 0.949394213008229
Energy: 0.9600656282531775
Energy: 0.9550331889627964
Energy: 1.363369091367562
Energy: 0.9550331889593193
Energy: 1.174449985127042
Energy: 0.9915619015382572
Energy: 1.3633262395726464
Energy: 0.9915619015408649
Energy: 1.1810783737045547
Energy: 0.9565197488848408
Energy: 0.954131459783977
Energy: 0.9565197488813636
Energy: 1.1739888164354713
Energy: 0.949671093576957
Energy: 0.9485703112609183
Energy: 0.9496710935760877
Energy: 1.3594809516175466
Energy: 0.9516763617491634
Energy: 0.9507815901724795
Energy: 0.9516763617569868
Energy: 1.3599628367624987
Energy: 0.9502522168093563
Energy: 0.9513392080255447
Energy: 0.9502522168137028
Energy: 1.1721215767670488
Energy: 1.045086622205627
Energy: 1.182343815049621
Energy: 1.045086622204758
Energy: 0.9777779419587879
Energy: 1.043556657582237
Energy: 1.1807030892872947
Energy: 1.0435566575744137
Energy: 0.9794457173480673
Energy: 0.9529217709493772
Energy: 1.1721261021721865
Energy: 0.9529217709511157
Energy: 0.951153424407621
Energy: 0.9505013811538956
Energy: 1.1790594795951381
Energy: 0.9505013811547648
Energy: 0.9576223758734109
Energy: 0.9544655527886818
Energy: 1.1732648545304203
Energy: 0.9544655527938974
Energy: 0.9485203651762523
Energy: 0.949455716642541
Energy: 1.3688434438783195
Energy: 0.9494557166477566
Energy: 0.9523477946089293
Energy: 0.9567338652217316
Energy: 1.3639714298995294
Energy: 0.9567338652252086
Energy: 1.1781980277197135
Energy: 0.9917387660705033
Energy: 1.1715443851263119
Energy: 0.991738766066157
Energy: 1.180079304170098
Energy: 0.9521363971598981
Energy: 0.9547812338519416
Energy: 0.9521363971633752
Energy: 1.1725673999021464
Energy: 0.9501814546364371
Energy: 0.9501416367171476
Energy: 0.9501814546346986
Energy: 1.360434260935226
Energy: 0.9503433491776093
Energy: 0.9500785090146939
Energy: 0.9503433491784784

minimum gb energy = 0.9248108469974664 eV
minimum distance =  2.50624500194603 Angstroms
sigma value = 17


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

Energy: 1.6158365747958086
Energy: 0.9430279392438785
Energy: 1.1264121587593763
Energy: 0.9209630297664017
Energy: 0.9408325242173797
Energy: 0.9416504492332101
Energy: 1.0936919168932508
Energy: 0.9416504492353591
Energy: 1.210121240782517
Energy: 0.9372270676159458
Energy: 1.1078782560639684
Energy: 0.9372270676186322
Energy: 1.2219171572130958
Energy: 0.9840063900813447
Energy: 1.0797487896430145
Energy: 0.9840063900808076
Energy: 1.0643970345236684
Energy: 0.921893078250897
Energy: 1.1314820415576707
Energy: 0.9218930782514343
Energy: 0.9227597239669908
Energy: 0.921639484181016
Energy: 1.2442239716686634
Energy: 0.9216394841799416
Energy: 0.9219539987287888
Energy: 0.9217096315097907
Energy: 1.080419172769562
Energy: 0.9217096315103279
Energy: 0.9251283978570475
Energy: 0.9228982363759191
Energy: 1.053076079418782
Energy: 0.9228982363764563
Energy: 1.2361388869971215
Energy: 0.9217476092082113
Energy: 1.2089903840277054
Energy: 0.921747609211435
Energy: 1.113591829607576
Energy: 0.9868454666645541
Energy: 1.081929759213124
Energy: 0.986845466660256
Energy: 1.232303259561171
Energy: 0.9379297679696021
Energy: 0.951105750743369
Energy: 0.9379297679701396
Energy: 1.2420083994045148
Energy: 0.9374648112392868
Energy: 1.0813029371852492
Energy: 0.9374648112387495
Energy: 1.1325573803643165
Energy: 0.9378512871276452
Energy: 0.9386369103256942
Energy: 0.9378512871271079
Energy: 0.9396382281305934
Energy: 0.9383725945943093
Energy: 0.9388067321202288
Energy: 0.9383725945953839
Energy: 1.2173735696726977
Energy: 0.9409604997783646
Energy: 0.9461259073344882
Energy: 0.9409604997789018
Energy: 1.046923842519245
Energy: 0.9389668080909696
Energy: 0.9414655103489703
Energy: 0.9389668080915067
Energy: 0.9387808008811594
Energy: 0.9432133911243005
Energy: 1.1411718339715002
Energy: 0.9432133911237632
Energy: 0.9372680710847937
Energy: 0.9381066111014501
Energy: 1.2363555436054063
Energy: 0.9381066111025246
Energy: 0.9419616706170778
Energy: 0.942840362861783
Energy: 1.0842998257266574
Energy: 0.942840362861783
Energy: 0.9402396661889336
Energy: 0.9381356422814381
Energy: 1.0545521337449923
Energy: 0.9381356422792889
Energy: 1.087477554053957
Energy: 0.9397622436203034
Energy: 1.0650327895317921
Energy: 0.9397622436208407
Energy: 1.0880563987590768
Energy: 0.9440420654940647
Energy: 1.213428347201098
Energy: 0.9440420654913783
Energy: 1.080153754421036
Energy: 0.982214266519504
Energy: 1.2173542741509111
Energy: 0.9822142665205787
Energy: 1.1347570155664641
Energy: 0.923171206314674
Energy: 1.0640411028180532
Energy: 0.9231712063152112
Energy: 1.240658496040367
Energy: 0.9216556308043334
Energy: 0.9219453726553446
Energy: 0.9216556308027215
Energy: 1.0811864851344564
Energy: 0.9221045149932208
Energy: 0.9235046544336909
Energy: 0.9221045149926834
Energy: 1.0576629269726012
Energy: 0.9223073437533732
Energy: 0.9228248998567351
Energy: 0.9223073437528357
Energy: 1.08312609968196
Energy: 0.9228083903612484
Energy: 1.2394079779907952
Energy: 0.9228083903596366
Energy: 1.086081874437628
Energy: 0.9862112617176406
Energy: 1.1091342009421505
Energy: 0.9862112617160289
Energy: 0.952214404807442
Energy: 0.9372746845138328
Energy: 1.2303543884158523
Energy: 0.9372746845181309
Energy: 1.0798523584292412
Energy: 0.9384448588815216
Energy: 1.2453914746104182
Energy: 0.938444858880447
Energy: 0.9379065666126033
Energy: 0.9380902537846738
Energy: 1.2470635667488532
Energy: 0.9380902537846738
Energy: 0.9377566351631791
Energy: 0.9378310718388202
Energy: 0.9400418880327902
Energy: 0.9378310718372083
Energy: 0.9494855104135136
Energy: 0.9434930237117387
Energy: 1.2215389494640854
Energy: 0.9434930237095895
Energy: 0.9434822982045458
Energy: 0.9634259037759301
Energy: 1.269315489590834
Energy: 0.9634259037743182
Energy: 1.4468755494805894
Energy: 0.9432486332082856
Energy: 0.9398816362025684
Energy: 0.9432486332115092
Energy: 1.2342175878333213
Energy: 0.9377823621967629
Energy: 0.9367330151309844
Energy: 0.9377823621956883
Energy: 1.2097631547690002
Energy: 0.9390122712222378
Energy: 0.9400964192929179
Energy: 0.9390122712217006

minimum gb energy = 0.9209630297664017 eV
minimum distance =  2.51534112977259 Angstroms
sigma value = 89


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

Energy: 1.9878134616470906
Energy: 0.8909758329147652
Energy: 1.0837298468878134
Energy: 0.8531687609782553
Energy: 1.0271450887939468
Energy: 0.9626449777563434
Energy: 0.8997459630864527
Energy: 0.9626449777591549
Energy: 1.033881032593545
Energy: 0.9644073586466416
Energy: 0.9021452870321651
Energy: 0.9644073586452357
Energy: 1.0399157308867455
Energy: 0.9659804022915661
Energy: 0.8902135182898369
Energy: 0.9659804022915661
Energy: 1.0248159009029771
Energy: 0.8439053439123027
Energy: 1.0306752135832995
Energy: 0.8439053439123027
Energy: 1.025791389658089
Energy: 0.8436111219621399
Energy: 1.0306492906292475
Energy: 0.8436111219635457
Energy: 1.02635465514885
Energy: 0.8438634454461571
Energy: 0.847660843081267
Energy: 0.8438634454461571
Energy: 1.024190801161759
Energy: 0.8485615448434114
Energy: 0.8521920190201228
Energy: 0.8485615448434114
Energy: 1.028294623502802
Energy: 0.8448600884988546
Energy: 0.8550902137774279
Energy: 0.8448600884988546
Energy: 1.0263632587545422
Energy: 0.9188368826248906
Energy: 0.8457166612430232
Energy: 0.9188368826235167
Energy: 1.0247696547951732
Energy: 0.9188732037495762
Energy: 1.0632034634216985
Energy: 0.9188732037495762
Energy: 1.0310265282810127
Energy: 0.8874892382080748
Energy: 0.8450611419128496
Energy: 0.8874892382066688
Energy: 1.0364091746465738
Energy: 0.8899043614502548
Energy: 0.8952987281521755
Energy: 0.889904361448849
Energy: 1.2068696488478976
Energy: 0.8871507323000133
Energy: 0.887627980366243
Energy: 0.8871507322972016
Energy: 1.038542082246453
Energy: 0.8888795967764104
Energy: 0.8934425361953147
Energy: 0.8888795967764104

minimum gb energy = 0.8436111219621399 eV
minimum distance =  2.50487132629297 Angstroms
sigma value = 13


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

Energy: 1.5069683379653946
Energy: 0.7984091218536223
Energy: 1.0127452320413883
Energy: 0.7872987182805337
Energy: 0.9509957474792342
Energy: 0.7950120439439444
Energy: 0.9530189407582687
Energy: 0.7950120439415876
Energy: 0.814852838824386
Energy: 0.7933301716296005
Energy: 0.9552834649981566
Energy: 0.7933301716378497
Energy: 1.136271109328054
Energy: 0.7928973676245861
Energy: 0.9539397495150334
Energy: 0.7928973676145693
Energy: 0.9575140285462866
Energy: 0.7957726576855919
Energy: 0.9566803203108171
Energy: 0.7957726576761645
Energy: 0.9563689144296088
Energy: 0.7945613324279105
Energy: 0.9620794966725169
Energy: 0.7945613324326243
Energy: 0.9546645195982894
Energy: 0.7933129367190067
Energy: 0.9518504873593397
Energy: 0.7933129367107574
Energy: 0.9542705542872413
Energy: 0.7941867036323431
Energy: 0.9576324256682271
Energy: 0.7941867036311646
Energy: 0.7925591256674902
Energy: 0.792764576361976
Energy: 0.9569306194504521
Energy: 0.7927645763684574
Energy: 0.7921255881047862
Energy: 0.7929726395629407
Energy: 1.1302023919627375
Energy: 0.7929726395700114
Energy: 0.7944566107222657
Energy: 0.7939064389000814
Energy: 1.507628406442917
Energy: 0.7939064389036168
Energy: 0.964914711994671
Energy: 0.8369025680836432
Energy: 0.9566571002092158
Energy: 0.8369025680801079
Energy: 0.9580058298195312
Energy: 0.8314366676992974
Energy: 0.9614364182393432
Energy: 0.8314366676898697
Energy: 0.9538364587862938
Energy: 0.831740640305152
Energy: 1.1338554663248084
Energy: 0.8317406403080982
Energy: 0.9543582704519193
Energy: 0.7966826902319191
Energy: 0.9544621806510853
Energy: 0.7966826902284373
Energy: 0.9575751158486576
Energy: 0.7950987999323248
Energy: 0.7981112442496868
Energy: 0.7950987999364494
Energy: 0.954811912670296
Energy: 0.794282500538938
Energy: 0.7955534295227599
Energy: 0.7942825005465979
Energy: 0.7998987505985005
Energy: 0.7944564577565975
Energy: 0.7942324303130289
Energy: 0.7944564577642573
Energy: 1.1146572038712357
Energy: 0.7930673601740195
Energy: 0.9506844471901692
Energy: 0.7930673601822686
Energy: 0.9619463825548054
Energy: 0.7926855734403695
Energy: 0.9669325543459986
Energy: 0.7926855734297635
Energy: 1.1405054828658256
Energy: 0.7937798037792058
Energy: 0.9514607302971364
Energy: 0.7937798037751348
Energy: 0.9624533231730039
Energy: 0.7931196469613938
Energy: 0.9632975072365892
Energy: 0.7931196469666967
Energy: 0.950953929910738
Energy: 0.7975436633291622
Energy: 0.9573333168971916
Energy: 0.7975436633297515
Energy: 0.7980002173004287
Energy: 0.79213263118694
Energy: 0.9546552981722374
Energy: 0.7921326311887077
Energy: 0.9512942989186559
Energy: 0.7928474697635345
Energy: 0.9531287014716565
Energy: 0.7928474697653021
Energy: 0.7935906069922519
Energy: 0.7934874170968395
Energy: 0.9666573831679665
Energy: 0.7934874170933041
Energy: 0.7917941800756911
Energy: 0.792784878556971
Energy: 0.9565047335257065
Energy: 0.7927848785422406
Energy: 0.7925797514261517
Energy: 0.793090870878214
Energy: 0.7994987656399823
Energy: 0.7930908708764461
Energy: 0.9597840496774624
Energy: 0.7933453496733007
Energy: 1.1166192271168858
Energy: 0.7933453496785502
Energy: 0.9678628042047402
Energy: 0.8321385645031509
Energy: 0.9573128213834102
Energy: 0.8321385645049187
Energy: 0.9550137154971976
Energy: 0.8342916198301825
Energy: 1.1408742448442315
Energy: 0.8342916198325394
Energy: 0.9661660266809564
Energy: 0.7942588611695649
Energy: 0.956658204914395
Energy: 0.7942588611648512
Energy: 0.9541030872149068
Energy: 0.7938649228322484
Energy: 0.7932504009205313
Energy: 0.7938649228293021
Energy: 1.1253715299932794
Energy: 0.7932627893082066
Energy: 0.7923758467634957
Energy: 0.793262789301136
Energy: 1.0995313335478005
Energy: 0.7928991706771109
Energy: 0.7935899872332679
Energy: 0.7928991706706295

minimum gb energy = 0.7872987182805337 eV
minimum distance =  2.52642077769416 Angstroms
sigma value = 37


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

Energy: 1.306450316280502
Energy: 0.7122987356209726
Energy: 0.7151011754416312
Energy: 0.7130642806083294
Energy: 0.9756978211780191
Energy: 0.7105893542579587
Energy: 0.9742353745647457
Energy: 0.710589354256945
Energy: 1.236195561298433
Energy: 0.7083708502605581
Energy: 0.9777175395037353
Energy: 0.7083708502605581
Energy: 1.233321087652762
Energy: 0.7861868324025941
Energy: 0.9757087019024092
Energy: 0.7861868323924569
Energy: 0.7179058495889498
Energy: 0.7901179528848775
Energy: 0.977788850173131
Energy: 0.7901179528848775
Energy: 0.7160693863004534
Energy: 0.7110806073203182
Energy: 0.8586595158948283
Energy: 0.7110806073203182
Energy: 0.7125992404495657
Energy: 0.7084417807266485
Energy: 0.7196635874472408
Energy: 0.7084417807266485
Energy: 0.7153226268359995
Energy: 0.7104562783519156
Energy: 0.9760191980114505
Energy: 0.7104562783509019
Energy: 0.7102055975744268
Energy: 0.7087842744803461
Energy: 1.2407534645180514
Energy: 0.7087842744793323
Energy: 0.7089229852848856
Energy: 0.7111901104716334
Energy: 1.239420650585249
Energy: 0.7111901104716334
Energy: 0.7151011754629195
Energy: 0.7130642806083294
Energy: 1.306450316280502
Energy: 0.7122987356240137
Energy: 0.9742353745657594
Energy: 0.7105893542579587
Energy: 0.97569782119728
Energy: 0.710589354256945
Energy: 0.9777175395017078
Energy: 0.7083708502615719
Energy: 1.2361955612974191
Energy: 0.7083708502615719
Energy: 0.9757087019024092
Energy: 0.7861868324046217
Energy: 1.2333210876517484
Energy: 0.7861868324015806
Energy: 0.977788850173131
Energy: 0.7901179528868588
Energy: 0.7179058495899635
Energy: 0.7901179528868588
Energy: 0.9747714710364341
Energy: 0.7110806073213319
Energy: 0.7160693862994397
Energy: 0.7110806073213319
Energy: 0.7196637795780433
Energy: 0.7084417807256349
Energy: 0.7125992404515932
Energy: 0.7084417807266485
Energy: 0.9760191980104368
Energy: 0.7104562783529293
Energy: 0.7153226268359995
Energy: 0.7104562783519156
Energy: 1.2407534645180514
Energy: 0.7087842744783187
Energy: 0.7102055975754406
Energy: 0.7087842744793323
Energy: 1.2394206505822079
Energy: 0.7111901104696061
Energy: 0.7089229852848856
Energy: 0.7111901104706199

minimum gb energy = 0.7083708502605581 eV
minimum distance =  2.53422364936665 Angstroms
sigma value = 25


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

Energy: 1.5765621497994007
Energy: 0.6241797899979115
Energy: 0.8612137672358201
Energy: 0.6271459556492482
Energy: 1.0641723510274488
Energy: 0.6219692087487275
Energy: 0.839131534140005
Energy: 0.6219692087479359
Energy: 1.0743724666160366
Energy: 0.6217637110306882
Energy: 0.8428334947435079
Energy: 0.6217637110298967
Energy: 1.071898234098441
Energy: 0.6249675039114013
Energy: 0.8471539358965331
Energy: 0.6249675039074433
Energy: 1.0642109551121528
Energy: 0.6865400813574499
Energy: 1.0675576599187855
Energy: 0.6865400813566583
Energy: 1.0555397289385846
Energy: 0.6828271697396452
Energy: 1.2339648108326795
Energy: 0.6828271697396452
Energy: 1.0584567645179759
Energy: 0.6857680539355467
Energy: 1.0629750891069136
Energy: 0.6857680539379215
Energy: 0.8475543955066209
Energy: 0.6252028257297447
Energy: 1.2392781784465028
Energy: 0.6252028257297447
Energy: 0.8424981780039441
Energy: 0.621883119606397
Energy: 1.0659690628451812
Energy: 0.6218831196056055
Energy: 0.8393321673094568
Energy: 0.6246495956636458
Energy: 1.2316637907236312
Energy: 0.6246495956636458
Energy: 0.6267263488594802
Energy: 0.6244134704420057
Energy: 1.3269394826944376
Energy: 0.6244134704412141
Energy: 0.6221984714419456
Energy: 0.6239630042582159
Energy: 1.0648908926182528
Energy: 0.6239630042582159
Energy: 0.6241168764599712
Energy: 0.6217873948758655
Energy: 1.0565711743172472
Energy: 0.6217873948758655
Energy: 0.6284986325678106
Energy: 0.6224107253352203
Energy: 1.0554757223593678
Energy: 0.6224107253344288
Energy: 0.8424467046656431
Energy: 0.6216479352275407
Energy: 1.0627767128147576
Energy: 0.6216479352275407
Energy: 0.8393846190689509
Energy: 0.6215077154766485
Energy: 1.0539622512065243
Energy: 0.621507715475857
Energy: 1.0624618044948306
Energy: 0.6227149430551076
Energy: 1.0648486729092013
Energy: 0.6227149430558991
Energy: 0.8488338866297976
Energy: 0.6868601165899206
Energy: 1.0635494160276333
Energy: 0.6868601165875459
Energy: 1.2307989044072576
Energy: 0.6836723913871148
Energy: 1.057766966456997
Energy: 0.6836723913886981
Energy: 1.0660651269061057
Energy: 0.6850335387257507
Energy: 1.0560135404007225
Energy: 0.6850335387249592
Energy: 1.3276560531641675
Energy: 0.6229224934396649
Energy: 0.8433905423743348
Energy: 0.6229224934341238
Energy: 1.0643019749097467
Energy: 0.6209587344394307
Energy: 0.6225392935651365
Energy: 0.6209587344394307
Energy: 1.063387751589044
Energy: 0.6223849506413458
Energy: 0.8382369433875507
Energy: 0.6223849506397627
Energy: 1.2391525611414793
Energy: 0.6223965766704269
Energy: 0.6256194321846259
Energy: 0.6223965766696352
Energy: 1.062637349119523
Energy: 0.62144381379164
Energy: 0.622001752548298
Energy: 0.62144381379164
Energy: 1.4080051752846983
Energy: 0.6222131429807042
Energy: 0.6237185783596526
Energy: 0.6222131429822874

minimum gb energy = 0.6209587344394307 eV
minimum distance =  2.54228366076151 Angstroms
sigma value = 41


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

Energy: 1.7490199195958205
Energy: 0.5633362593336971
Energy: 0.8078828659506267
Energy: 0.5603329592441711
Energy: 1.2384368344398302
Energy: 0.5602354006302378
Energy: 0.7398048422322402
Energy: 0.5602354006308867
Energy: 1.2438132442061622
Energy: 0.5605158347009676
Energy: 0.7430444052694489
Energy: 0.5605158347022655
Energy: 1.2401946481423891
Energy: 0.5611221094021679
Energy: 0.9315489951817636
Energy: 0.5611221094034659
Energy: 1.2358679196175293
Energy: 0.558716820618056
Energy: 1.0801933423168726
Energy: 0.5587168206148111
Energy: 1.234403324038063
Energy: 0.7718285003367287
Energy: 1.0775903656044314
Energy: 0.7718285003367287
Energy: 1.2394940049626082
Energy: 0.613469026601406
Energy: 1.2349479478472218
Energy: 0.6134690266007571
Energy: 1.0829751778449166
Energy: 0.61361488358191
Energy: 1.0837922916749483
Energy: 0.6136148835845058
Energy: 0.9205018093536735
Energy: 0.7694456701824808
Energy: 1.2377144894719143
Energy: 0.7694456701870236
Energy: 0.9196822719555245
Energy: 0.558928251923693
Energy: 1.238043054946737
Energy: 0.5589282519217461
Energy: 0.7490623468492648
Energy: 0.5633679622379304
Energy: 1.244060462694111
Energy: 0.5633679622775181
Energy: 0.7410452777097678
Energy: 0.5596506931628221
Energy: 1.2381630166405457
Energy: 0.5596506931641201
Energy: 0.7408351263782684
Energy: 0.5613011364641607
Energy: 1.2402734467905914
Energy: 0.5613011364641607
Energy: 0.5641183549593645
Energy: 0.5619077102478184
Energy: 1.386512910633514
Energy: 0.5619077102491162
Energy: 0.5592631753595843
Energy: 0.5605723116239544
Energy: 1.2356134521619955
Energy: 0.5605723116233055
Energy: 0.5615412565405759
Energy: 0.5608758512539276
Energy: 1.2469717788484924
Energy: 0.5608758512532787
Energy: 0.745181415333565
Energy: 0.5605749836831944
Energy: 1.2525131898212987
Energy: 0.5605749836799495
Energy: 0.7424876889205915
Energy: 0.5594794635076701
Energy: 1.2356588896863039
Energy: 0.5594794635044251
Energy: 0.7419836284133416
Energy: 0.5615329577869445
Energy: 1.237633063514839
Energy: 0.5615329577869445
Energy: 1.0774284562680863
Energy: 0.5597842453756722
Energy: 1.2343876230041193
Energy: 0.5597842453743742
Energy: 1.0874091178295175
Energy: 0.5597477154731874
Energy: 1.2348722931243978
Energy: 0.5597477154692937
Energy: 1.0784521261717246
Energy: 0.6112834900811829
Energy: 1.2392233054378967
Energy: 0.6112834900863748
Energy: 1.2390685226461085
Energy: 0.6099686539341894
Energy: 1.2317276089328648
Energy: 0.6099686539328915
Energy: 1.0829886792905457
Energy: 0.611029949215736
Energy: 1.077628266835206
Energy: 0.6110299492144381
Energy: 1.2341915721904326
Energy: 0.5655993640828443
Energy: 0.926284623201497
Energy: 0.5655993640620771
Energy: 1.3777509671086878
Energy: 0.5597498495341454
Energy: 1.0760814817657494
Energy: 0.5597498495321984
Energy: 1.2443995651784467
Energy: 0.5622067408900525
Energy: 0.7427510982960149
Energy: 0.5622067408894035
Energy: 1.2352390460282583
Energy: 0.5602482534917737
Energy: 0.7414903992496173
Energy: 0.5602482534924227
Energy: 1.2410977995773878
Energy: 0.5630013725805071
Energy: 0.7452612236749167
Energy: 0.563001372583103
Energy: 1.3776944285978687
Energy: 0.5609246652062512
Energy: 0.5614383745833232
Energy: 0.5609246652062512
Energy: 1.2360844330434893
Energy: 0.560425725582999
Energy: 0.5614206247456739
Energy: 0.5604257255823499
Energy: 1.245115300859618
Energy: 0.5614446071236813
Energy: 0.5625617500497633
Energy: 0.5614446071230322

minimum gb energy = 0.5587168206148111 eV
minimum distance =  2.55175609437447 Angstroms
sigma value = 15


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

Energy: 1.503242131671784
Energy: 0.5194393567855271
Energy: 0.76477299628952
Energy: 0.5154667831347625
Energy: 1.3560184811883382
Energy: 0.5141687336072346
Energy: 0.6664830869599596
Energy: 0.5141687336066848
Energy: 1.3640825141327335
Energy: 0.515302061698214
Energy: 0.6680754567500284
Energy: 0.5153020616971145
Energy: 1.3619917564833992
Energy: 0.5171129570951791
Energy: 0.9668531605683087
Energy: 0.5171129570946292
Energy: 1.3537605847411742
Energy: 0.5131972812274904
Energy: 0.9609463642889842
Energy: 0.5131972812214429
Energy: 1.3552899051137113
Energy: 0.5136163437942036
Energy: 0.9572813103828395
Energy: 0.5136163437870565
Energy: 1.0970837940747848
Energy: 0.5213921051213606
Energy: 1.222073988346301
Energy: 0.5213921051433515
Energy: 1.2261433917073314
Energy: 0.5597488087391567
Energy: 0.9621925209006541
Energy: 0.5597488086864283
Energy: 1.0961857705726443
Energy: 0.5572952082250887
Energy: 1.2216751030249384
Energy: 0.5572952082212403
Energy: 1.094381837864235
Energy: 0.5656951340502921
Energy: 1.3566140307271437
Energy: 0.5656951340573892
Energy: 0.964289858471908
Energy: 0.5164896559517287
Energy: 1.235599353784125
Energy: 0.5164896559500793
Energy: 0.8192113529792733
Energy: 0.5134005734122944
Energy: 1.35446848431085
Energy: 0.5134005734128443
Energy: 0.9588462185394651
Energy: 0.5142648324142723
Energy: 1.4747860214722017
Energy: 0.5142648324164715
Energy: 0.6746270946046656
Energy: 0.5172051011073018
Energy: 1.2310416335798766
Energy: 0.5172051011067521
Energy: 0.6694852435602806
Energy: 0.5133282393410935
Energy: 1.3533142728389316
Energy: 0.5133282393438424
Energy: 0.6701726497490869
Energy: 0.5157298024884582
Energy: 1.4764305031968854
Energy: 0.5157298024879085
Energy: 0.5179139588711198
Energy: 0.5158853831130826
Energy: 1.3616774068959292
Energy: 0.5158853831136324
Energy: 0.514533602290563
Energy: 0.5142312543372378
Energy: 1.352857986421506
Energy: 0.5142312543372378
Energy: 0.5173922195993194
Energy: 0.5153343475875132
Energy: 1.3579581122817077
Energy: 0.515334347588063
Energy: 0.6725665482877784
Energy: 0.5158891369145466
Energy: 1.365076548715448
Energy: 0.5158891369150964
Energy: 0.6662638951315022
Energy: 0.5134780239367901
Energy: 1.3528255766472257
Energy: 0.5134780239367901
Energy: 0.6736745185252291
Energy: 0.5168083615388865
Energy: 1.36087746314268
Energy: 0.5168083615223934
Energy: 0.9575541615845414
Energy: 0.5139378504070107
Energy: 1.3523721986860806
Energy: 0.5139378504053614
Energy: 0.9605048559626809
Energy: 0.5131714514833847
Energy: 1.3542995659466612
Energy: 0.5131714513454413
Energy: 0.9659664452453729
Energy: 0.5158942184215265
Energy: 1.1025901324240424
Energy: 0.5158942185033929
Energy: 1.2254888036983251
Energy: 0.5615255149577153
Energy: 1.3587704921446764
Energy: 0.5615255149214301
Energy: 0.959280793195659
Energy: 0.5577926375587483
Energy: 1.2240923516952906
Energy: 0.5577926375400559
Energy: 1.2262756310175285
Energy: 0.5598655133840836
Energy: 1.1025601514993804
Energy: 0.5598655133890317
Energy: 1.226582753636002
Energy: 0.5224775512636549
Energy: 1.2221263194414642
Energy: 0.5224775517208674
Energy: 1.2260448126684524
Energy: 0.5140148306329262
Energy: 0.9589134953698322
Energy: 0.5140148306609648
Energy: 1.3527144094475492
Energy: 0.5133030978178746
Energy: 0.8191460119532256
Energy: 0.5133030978162252
Energy: 1.232700942956802
Energy: 0.5172242146436936
Energy: 0.9645990390388466
Energy: 0.5172242146491913
Energy: 1.47527690372547
Energy: 0.5144467790455239
Energy: 0.6661578470888114
Energy: 0.5144467790504718
Energy: 1.3542244175720575
Energy: 0.5146783623172234
Energy: 0.6659260518604581
Energy: 0.5146783623177733
Energy: 1.3680226043440353
Energy: 0.5178896639797066
Energy: 0.519169373445508
Energy: 0.5178896639807561
Energy: 1.3550760654707994
Energy: 0.5144677248371616
Energy: 0.515496042603221
Energy: 0.5144677248382612
Energy: 1.3610961961670922
Energy: 0.5147067953280507
Energy: 0.516741428523834
Energy: 0.5147067953269512

minimum gb energy = 0.5131714513454413 eV
minimum distance =  2.54391064658772 Angstroms
sigma value = 85


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

Energy: 1.6222575917612634
Energy: 0.4560688207843809
Energy: 0.4565853047494154
Energy: 0.4407477438564683
Energy: 1.4251330823657689
Energy: 0.4516832311608595
Energy: 0.5906056367273783
Energy: 0.4516832311608595
Energy: 1.4244279370073525
Energy: 0.45166068089101613
Energy: 0.5918924304815316
Energy: 0.45166068089196976
Energy: 1.2055500050401644
Energy: 0.4540225200160157
Energy: 0.8587612965219266
Energy: 0.45402252001649257
Energy: 1.4222031874323933
Energy: 0.4513685808020045
Energy: 0.8516370534778299
Energy: 0.45136858079914355
Energy: 1.2002995747189373
Energy: 0.4527764095625762
Energy: 0.8509880015463707
Energy: 0.4527764095530398
Energy: 1.2039694414165631
Energy: 0.4528043561151642
Energy: 1.087650988772358
Energy: 0.45280435611468733
Energy: 1.3128396749800098
Energy: 0.45321647958629246
Energy: 0.8466487146083129
Energy: 0.453216479598213
Energy: 1.2043830709130083
Energy: 0.4520897232252956
Energy: 1.0853870457598718
Energy: 0.4520897232257725
Energy: 1.203050574416042
Energy: 0.5301732316484455
Energy: 1.309088328462513
Energy: 0.5301732316422468
Energy: 1.0898357592023813
Energy: 0.6531705524512756
Energy: 1.0836913384421045
Energy: 0.6531705524436465
Energy: 0.9746116849909285
Energy: 0.45167922460897697
Energy: 1.3093058347430782
Energy: 0.45167922462757293
Energy: 1.08557714273356
Energy: 0.4540694745706072
Energy: 1.3124214112151538
Energy: 0.4540694758894057
Energy: 0.8566743468310775
Energy: 0.45341220597018267
Energy: 1.0878983482332107
Energy: 0.45341220597161314
Energy: 0.7215669614309117
Energy: 0.45186117707933865
Energy: 1.4218264038423165
Energy: 0.4518611770774314
Energy: 0.852750706525188
Energy: 0.45268332630374714
Energy: 1.3142898291540988
Energy: 0.4526833263027935
Energy: 0.5960975048019428
Energy: 0.45285059192002297
Energy: 1.317908682450798
Energy: 0.4528505919185925
Energy: 0.5895741518610372
Energy: 0.45205665553518
Energy: 1.4213955562324987
Energy: 0.4520566555366104
Energy: 0.595462433801392
Energy: 0.45322224122966803
Energy: 1.427047633866494
Energy: 0.4532222412301448
Energy: 0.45529615225834796
Energy: 0.45269828535530277
Energy: 1.424947078120405
Energy: 0.45269828535530277
Energy: 0.4522114410304033
Energy: 0.45123003497154063
Energy: 1.4222287058410077
Energy: 0.451230034970587
Energy: 0.45612529503993565
Energy: 0.4534355538293657
Energy: 1.420758798090221
Energy: 0.4534355538298424
Energy: 0.5932753204397502
Energy: 0.45263482093501584
Energy: 1.4216775524248029
Energy: 0.45263482091689666
Energy: 0.5906607727291233
Energy: 0.45144098909176383
Energy: 1.4236716645822654
Energy: 0.451440989091287
Energy: 0.5981543510127942
Energy: 0.45361160267944023
Energy: 1.1940586465923753
Energy: 0.4536116026813475
Energy: 0.8504065463827026
Energy: 0.45233148541472407
Energy: 1.43102006235434
Energy: 0.4523314854152009
Energy: 0.8509805893699338
Energy: 0.4515543199260429
Energy: 1.421620396069751
Energy: 0.451554319920321
Energy: 0.8507584888365923
Energy: 0.45295356881272336
Energy: 1.1970925476139307
Energy: 0.45295356880509424
Energy: 1.0904000872878326
Energy: 0.45335889201244867
Energy: 1.4231764177805115
Energy: 0.45335889202866053
Energy: 1.087458229081693
Energy: 0.4517418086214681
Energy: 1.2006051598184755
Energy: 0.4517418086166999
Energy: 1.2022423422547917
Energy: 0.5299322194690509
Energy: 0.9697596892471073
Energy: 0.5299322194828354
Energy: 1.0907379777604145
Energy: 0.530036756034087
Energy: 1.201683390388784
Energy: 0.5300367560374246
Energy: 1.3115547111387043
Energy: 0.4515448057232088
Energy: 0.9697442867245888
Energy: 0.4515448057284539
Energy: 1.4241674020216644
Energy: 0.4535906002978367
Energy: 0.9710831653936948
Energy: 0.45359060029879045
Energy: 1.0799939921177357
Energy: 0.4526614055620458
Energy: 0.8505421333582184
Energy: 0.4526614055606154
Energy: 1.4248666138021657
Energy: 0.45147466839232503
Energy: 0.8510818706690492
Energy: 0.45147466839137146
Energy: 1.4243036959875253
Energy: 0.4524451267762433
Energy: 0.8503257358934685
Energy: 0.45244512678049137
Energy: 1.3092840391925635
Energy: 0.45359945715292005
Energy: 0.5969104027890506
Energy: 0.45359945713575456
Energy: 1.423064335677708
Energy: 0.4511978019519591
Energy: 0.5903977150862053
Energy: 0.45119780195148224
Energy: 1.4241978602576344
Energy: 0.45296175185557797
Energy: 0.5938864999412454
Energy: 0.4529617518560548
Energy: 1.3064666382214534
Energy: 0.45323782483825303
Energy: 0.4537523790494956
Energy: 0.45323782483872993
Energy: 1.421902387843491
Energy: 0.4509089931152396
Energy: 0.4515534103240519
Energy: 0.45090899311428595
Energy: 1.4282315160979413
Energy: 0.4527575151216333
Energy: 0.4539762167476608
Energy: 0.4527575151206797

minimum gb energy = 0.4407477438564683 eV
minimum distance =  2.53800882555729 Angstroms
sigma value = 113


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

Energy: 0.01985785138869202
Energy: 0.3704615840114133
Energy: 1.218744439806438
Energy: 0.02073224810787523
Energy: 0.9405993782453703
Energy: 0.10673222512595273
Energy: 0.9421026253448079
Energy: 0.10673222512664511
Energy: 0.031219655645902886
Energy: 0.10541256369420496
Energy: 0.9409287816076661
Energy: 0.10541256369314601
Energy: 0.021521639720422824
Energy: 0.10655494738749302
Energy: 0.9452050635953934
Energy: 0.1065549473864341
Energy: 0.9422586943064759
Energy: 0.10520311617823776
Energy: 0.9439608770984822
Energy: 0.1052031161778712
Energy: 0.0271888705361178
Energy: 0.1052466279450602
Energy: 0.941768490388315
Energy: 0.10524662794400126

minimum gb energy = 0.01985785138869202 eV
minimum distance =  2.76991922572652 Angstroms
sigma value = 1