Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
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=[-3.74415861952728e-25, 1.3955278917466799e-18, 1.59811511623281e-18, 1.75087464740154e-18, 1.846508570685e-18, 1.90918572060708e-18, 1.95678638840322e-18, 1.9980905020277398e-18, 2.03566154409504e-18, 2.06948349283878e-18, 2.09902762996974e-18, 2.1241657813571998e-18, 2.14513827349626e-18, 2.16244178114346e-18, 2.1766691096533798e-18, 2.18831693378256e-18, 2.1978338629885198e-18, 2.2055563543643998e-18, 2.2117247344053e-18, 2.2165312643072997e-18, 2.2201041182011198e-18, 2.2225394266848e-18, 2.22394934212272e-18, 2.2243979515802397e-18, 2.2239333203563796e-18, 2.22242727432042e-18, 2.2197836828743197e-18, 2.21584232835468e-18, 2.2104429930981e-18, 2.20337739414216e-18, 2.1944692920571197e-18, 2.18341427328252e-18, 2.16992394602424e-18, 2.15361378789012e-18, 2.13408325472166e-18, 2.110867715295e-18, 2.08367877781602e-18, 2.0498888726049598e-18, 2.00233627010784e-18, 1.93764037762692e-18, 1.85121896998896e-18, 1.7351893381546797e-18, 1.575534038753214e-18, 1.349263439263296e-18, 1.023111546233184e-18, 5.522766944463359e-19, -1.212088280213484e-19, -1.074041537074776e-18, -2.4329693057943596e-18, -4.44477443980914e-18, -7.537984714708559e-18, -1.2396409117883819e-17, -2.02656118081392e-17, -3.40690043807028e-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: 0.04258131671470674
Energy: 0.04362109055893588
Energy: 2.44727343667148
Energy: 1.288032549949487
Energy: 0.04362109055893588
Energy: 0.25737880531108964
Energy: 1.2860638325288833
Energy: 0.25737880531108964
Energy: 2.4472736291744894
Energy: 1.286063832531765
Energy: 1.5470325975378034
Energy: 1.286063832531765
Energy: 1.2880325499513714
Energy: 0.25737880531108964
Energy: 1.286063832531765
Energy: 0.25737880531108964

minimum gb energy = 0.04258131671470674 eV
minimum distance =  2.44011963328348 Angstroms
sigma value = 1


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

Energy: 2.479234812560998
Energy: 1.2691170897280424
Energy: 1.1894425538139701
Energy: 1.1854305826996179
Energy: 2.3105731393029165
Energy: 1.138356942619851
Energy: 1.2655158348009867
Energy: 1.1383569426174316
Energy: 2.329686553708781
Energy: 1.1378825983090397
Energy: 1.1394720859557224
Energy: 1.1378825983102494
Energy: 2.3013581402502816
Energy: 1.1756488885202934
Energy: 1.1742221229354284
Energy: 1.1756488885202934
Energy: 2.2994855802529908
Energy: 1.1426276495293688
Energy: 1.6221393157087578
Energy: 1.1426276495148513
Energy: 2.3005838942028376
Energy: 1.1370474996360727
Energy: 1.5508240197307475
Energy: 1.1370474996348632
Energy: 2.246144804442401
Energy: 1.1385118313263474
Energy: 1.5588910383523047
Energy: 1.1385118313251377
Energy: 1.9413235460095333
Energy: 1.4360794525494618
Energy: 1.5100404806541812
Energy: 1.4360794525470422
Energy: 1.942838526164234
Energy: 1.3215480625330274
Energy: 1.5089919769666513
Energy: 1.321548062510041
Energy: 1.943651627484028
Energy: 1.4407327029171344
Energy: 1.9434534514475876
Energy: 1.4407327029159247
Energy: 1.948741926512866
Energy: 1.1460368483005126
Energy: 1.9042544065376985
Energy: 1.1460368482884145
Energy: 1.5152719370945127
Energy: 1.1479961853255767
Energy: 1.9497931463291809
Energy: 1.147996185323157
Energy: 1.6047701702721444
Energy: 1.322432790245903
Energy: 1.9429067036505894
Energy: 1.3224327902483226
Energy: 1.5518794914324623
Energy: 1.1369373116294155
Energy: 2.306653182454325
Energy: 1.1369373116294155
Energy: 1.5390331509314472
Energy: 1.1384645189207303
Energy: 2.466055495168083
Energy: 1.138464518839784
Energy: 1.1758134983708255
Energy: 1.1828796706190694
Energy: 2.2861418764958508
Energy: 1.182879670620279
Energy: 1.137564864169671
Energy: 1.1388688229168769
Energy: 2.3371227090383404
Energy: 1.1388688229192963
Energy: 1.2231661781794787
Energy: 1.1384524189452416
Energy: 2.305556743393356
Energy: 1.1384524189416123
Energy: 1.1754733380749391
Energy: 1.1388794189381026
Energy: 2.651543444144839
Energy: 1.1388794189199558
Energy: 1.3571642630628107
Energy: 1.2227902210850687
Energy: 2.2994531133042724
Energy: 1.222790221083859
Energy: 1.2706537708753363
Energy: 1.1392779427763635
Energy: 2.362780735308571
Energy: 1.139277942773944
Energy: 1.2686231446951326
Energy: 1.1384217909190402
Energy: 2.1762559102715753
Energy: 1.1384217909166203
Energy: 1.3549583952456445
Energy: 1.1366560649714335
Energy: 2.301678756469696
Energy: 1.1366560649702238
Energy: 1.73753565892666
Energy: 1.287248668861912
Energy: 2.1849699889984313
Energy: 1.2872486688607023
Energy: 1.772149953276277
Energy: 1.1399887430098672
Energy: 2.193426315952594
Energy: 1.1399887430062379
Energy: 1.7567951162975572
Energy: 1.4631181327086633
Energy: 1.7240140453221489
Energy: 1.463118132711083
Energy: 1.728415228882091
Energy: 1.2082904244175763
Energy: 1.9442491405456634
Energy: 1.2082904244393526
Energy: 2.182407452720585
Energy: 1.1397472114326443
Energy: 1.7227519694703275
Energy: 1.1397472114253857
Energy: 2.0420120319352337
Energy: 1.138476259240864
Energy: 1.7379459740299013
Energy: 1.1384762592384443
Energy: 2.0416600270739376
Energy: 1.1381127306401142
Energy: 1.3117267314950647
Energy: 1.1381127306425338
Energy: 2.203818049741193
Energy: 1.1389085869787634
Energy: 1.290775883807209
Energy: 1.1389085869751339
Energy: 2.3185383728492455
Energy: 1.1378811713180499
Energy: 1.313345043139693
Energy: 1.1378811713192596
Energy: 2.2839557344689614
Energy: 1.1392381397159275
Energy: 1.25546276157191
Energy: 1.1392381397110882

minimum gb energy = 1.1366560649702238 eV
minimum distance =  2.36996241841934 Angstroms
sigma value = 1


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

Energy: 2.730002681382364
Energy: 1.536549056874712
Energy: 1.279567171475482
Energy: 1.1821435070203745
Energy: 2.2114396695378944
Energy: 1.1835161592177559
Energy: 1.2818648846099407
Energy: 1.183516159224653
Energy: 2.2139543833377187
Energy: 1.1837565489093276
Energy: 1.1809790481723699
Energy: 1.183756548911961
Energy: 2.2146581104771843
Energy: 1.18399246314775
Energy: 1.38747481643634
Energy: 1.1839924631532677
Energy: 2.3174914726520477
Energy: 1.1829850459791644
Energy: 1.367226656749616
Energy: 1.1829850459846818
Energy: 2.2149840754224406
Energy: 1.181903448561171
Energy: 1.56694065572659
Energy: 1.181903448554274
Energy: 2.2156454788944977
Energy: 1.1879489419674292
Energy: 1.4634052870252494
Energy: 1.1879489419729468
Energy: 1.9774529081944725
Energy: 1.4666654711693388
Energy: 1.478254369814153
Energy: 1.4666654711693388
Energy: 1.9593624318435099
Energy: 1.467915053582683
Energy: 1.4743532589891601
Energy: 1.4679150535799244
Energy: 1.971250938772916
Energy: 1.4290277683394568
Energy: 1.956643829020463
Energy: 1.4290277683422155
Energy: 1.7965395608419403
Energy: 1.3738894509449664
Energy: 1.898868310787845
Energy: 1.3738894509477253
Energy: 1.5515360246516432
Energy: 1.46653821076632
Energy: 1.7101045248715576
Energy: 1.4665382107676996
Energy: 1.5527747405643375
Energy: 1.348705646180595
Energy: 1.9619980311368448
Energy: 1.3487056461778364
Energy: 1.551353748779919
Energy: 1.182449786562201
Energy: 2.2167264101789805
Energy: 1.1824497865608214
Energy: 1.301719376332278
Energy: 1.1819149026579563
Energy: 2.194016200979315
Energy: 1.1819149026358862
Energy: 1.2813119875873016
Energy: 1.2792318380438843
Energy: 2.192684716471331
Energy: 1.2792318380452639
Energy: 1.1821022813922568
Energy: 1.1835853900974644
Energy: 2.2137703706395238
Energy: 1.1835853900988438
Energy: 1.2826838957232323
Energy: 1.181659086392396
Energy: 2.2151250760083725
Energy: 1.181659086393775
Energy: 1.280526153832419
Energy: 1.1830997719011658
Energy: 2.3178047988923507
Energy: 1.1830997718984069
Energy: 1.5633948763046042
Energy: 1.182504301150866
Energy: 2.214589883817242
Energy: 1.182504301155004
Energy: 1.4622654699422
Energy: 1.1854259730611396
Energy: 2.2151588534147044
Energy: 1.1854259730611396
Energy: 1.4756233964786065
Energy: 1.4299175375491153
Energy: 1.9722268645163394
Energy: 1.4299175375504947
Energy: 1.4884715345839823
Energy: 1.4308467246103875
Energy: 2.3257469492831495
Energy: 1.430846724613146
Energy: 1.970212698400307
Energy: 1.430366355829882
Energy: 1.9767198256260257
Energy: 1.4303663558312616
Energy: 1.8946171538788903
Energy: 1.3482415504863354
Energy: 1.973386239254437
Energy: 1.3482415504835765
Energy: 1.7158445274929846
Energy: 1.4678988048192934
Energy: 1.5553459204972042
Energy: 1.4678988048205475
Energy: 1.9599768725187974
Energy: 1.3481620536460872
Energy: 1.551232459759488
Energy: 1.3481620536474668
Energy: 2.2163843826452347
Energy: 1.1830010163957352
Energy: 1.5552534292989684
Energy: 1.1830010163957352
Energy: 2.1941256271534564
Energy: 1.280227215506233
Energy: 1.4620461275384966
Energy: 1.280227215499336

minimum gb energy = 1.1809790481723699 eV
minimum distance =  2.32230823712294 Angstroms
sigma value = 25


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

Energy: 2.598174306669047
Energy: 1.3794188672479455
Energy: 1.3289000167584564
Energy: 1.6981297656953271
Energy: 2.153925095211361
Energy: 1.268123703870466
Energy: 1.4127413328174074
Energy: 1.268123703870466
Energy: 2.141714118268003
Energy: 1.2743905570333354
Energy: 1.2597384870245525
Energy: 1.2743905570317318
Energy: 2.162297696359458
Energy: 1.2656458474549803
Energy: 1.3574294685384245
Energy: 1.2656458474565835
Energy: 2.3590969661195937
Energy: 1.3884432794571766
Energy: 1.8057134772159675
Energy: 1.3884432794555732
Energy: 2.161939400155393
Energy: 1.3965491323847612
Energy: 1.7553966132743146
Energy: 1.3965491323767436
Energy: 2.187373503013339
Energy: 1.3569000082987306
Energy: 1.8371872637540398
Energy: 1.3569000082955238
Energy: 1.759254806155263
Energy: 1.5123977603767091
Energy: 1.7268638978529751
Energy: 1.5123977603799161
Energy: 1.9035308861925022
Energy: 1.3565816213305617
Energy: 1.7561690434670876
Energy: 1.356581621332165
Energy: 1.75838080006795
Energy: 1.2678092660706475
Energy: 2.142499233529788
Energy: 1.267809266072251
Energy: 1.659569163164529
Energy: 1.268581364373168
Energy: 2.1214830470432964
Energy: 1.2685813644260833
Energy: 1.3001898930994387
Energy: 1.3056692749231693
Energy: 2.1172447337137537
Energy: 1.3056692749135483
Energy: 1.272717417339062
Energy: 1.2628593790441474
Energy: 2.1665399188021546
Energy: 1.2628593790441474
Energy: 1.3577408736343357
Energy: 1.2655397630027065
Energy: 2.1474384672603737
Energy: 1.265539763001103
Energy: 1.300802130360552
Energy: 1.2644384155226631
Energy: 2.3548614685905864
Energy: 1.2644384155226631
Energy: 1.5286078562298235
Energy: 1.3574501394048146
Energy: 2.117569788144736
Energy: 1.357450139409625
Energy: 1.4388623308086346
Energy: 1.2677730118375834
Energy: 2.1660031629672742
Energy: 1.26777301183598
Energy: 1.43728868956764
Energy: 1.2678475007956787
Energy: 1.98635071118572
Energy: 1.267847500790868
Energy: 1.529042174753464
Energy: 1.3913623234264287
Energy: 1.8965853568231739
Energy: 1.3913623234152042
Energy: 2.0034343889779933
Energy: 1.5181724827127903
Energy: 1.9827816185643385
Energy: 1.5181724827127903
Energy: 1.962911108169417
Energy: 1.3881558730284214
Energy: 2.003280519581373
Energy: 1.3881558730220074
Energy: 1.8523847596532574
Energy: 1.5321329641700032
Energy: 1.4857689155936444
Energy: 1.5321329641683998
Energy: 2.003227514832376
Energy: 1.2675947253877455
Energy: 1.470109447232286
Energy: 1.2675947253925564
Energy: 2.1454697884254283
Energy: 1.2674291471238002
Energy: 1.5807457895478374
Energy: 1.2674291471238002
Energy: 2.11712664848337
Energy: 1.3268312121885155
Energy: 1.4102516804825187
Energy: 1.3268312121981365

minimum gb energy = 1.2597384870245525 eV
minimum distance =  2.33916511212211 Angstroms
sigma value = 9


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

Energy: 2.3383136477771878
Energy: 1.6496911168542103
Energy: 1.5576381054437067
Energy: 1.5589728499776636
Energy: 1.9493594727263013
Energy: 1.4334629287607814
Energy: 1.43492452935269
Energy: 1.4334629287626943
Energy: 2.027241046211465
Energy: 1.3299469635439107
Energy: 1.328591518909256
Energy: 1.3299469635419976
Energy: 2.0304738228005688
Energy: 1.473639976428138
Energy: 1.5620537770281817
Energy: 1.473639976430051
Energy: 1.823205070135038
Energy: 1.4417216239763522
Energy: 1.4912956018162091
Energy: 1.441721623978265
Energy: 2.030780776676673
Energy: 1.4996158034034797
Energy: 1.8058276487256149
Energy: 1.4996158034034797
Energy: 2.0284334337069296
Energy: 1.4994940625726163
Energy: 1.3100865449888834
Energy: 1.4994940625707034
Energy: 1.7639806568216068
Energy: 1.5538331920436574
Energy: 1.722760597703309
Energy: 1.5538331920436574
Energy: 1.8310169926118995
Energy: 1.4984774921595168
Energy: 1.8046124802353722
Energy: 1.498477492157604
Energy: 1.7609653395456355
Energy: 1.474785861318992
Energy: 1.9828148780035875
Energy: 1.474785861318992
Energy: 1.4921474403485178
Energy: 1.5609444483660515
Energy: 1.9489242701344323
Energy: 1.5609444483660515
Energy: 1.435265874418046
Energy: 1.5609805979052185
Energy: 1.949549009011331
Energy: 1.5609805979052185
Energy: 1.4327316511907218
Energy: 1.3299781095037262
Energy: 2.0287591478882363
Energy: 1.3299781095018133
Energy: 1.4319992594256006
Energy: 1.474385915202478
Energy: 2.0306044113953376
Energy: 1.4743859152005654
Energy: 1.432566420148061
Energy: 1.441305491694732
Energy: 1.8238486162472276
Energy: 1.441305491694732
Energy: 1.8064804199553632
Energy: 1.4996701539361443
Energy: 2.0297599359903242
Energy: 1.4996701539380572
Energy: 1.2986856642522386
Energy: 1.4732998630907406
Energy: 2.027531224064626
Energy: 1.4732998630907406
Energy: 1.3004681492455623
Energy: 1.5027393537640232
Energy: 1.7607104875124144
Energy: 1.5027393537659361
Energy: 1.806071629931435
Energy: 1.4994371962276085
Energy: 1.8299975223638065
Energy: 1.4994371962276085
Energy: 2.073638411770053
Energy: 1.4990834421754076
Energy: 1.761295532175669
Energy: 1.4990834421734949
Energy: 1.9494303835445648
Energy: 1.561258767096064
Energy: 1.685106139906641
Energy: 1.561258767097977

minimum gb energy = 1.2986856642522386 eV
minimum distance =  2.29734184763537 Angstroms
sigma value = 25


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

Energy: 2.0790258695134507
Energy: 1.5211811626117475
Energy: 1.6059578399899983
Energy: 1.551989651487556
Energy: 1.7700267096903501
Energy: 1.5278638504283566
Energy: 1.6163343592531054
Energy: 1.5278638504283566
Energy: 1.8848785991816381
Energy: 1.4495290259483444
Energy: 1.447143485574692
Energy: 1.449529025945979
Energy: 1.8863530542678086
Energy: 1.541171973971584
Energy: 1.4611436361008818
Energy: 1.5411719739739496
Energy: 1.7563370158102358
Energy: 1.5416826895213496
Energy: 1.867728955687208
Energy: 1.5416826895237152
Energy: 1.8859003493677344
Energy: 1.67418202461303
Energy: 1.885789945200431
Energy: 1.6741820246153958
Energy: 1.8677486474509029
Energy: 1.5409553277496812
Energy: 1.92628868507838
Energy: 1.5409553277496812
Energy: 1.4600635767338044
Energy: 1.53979245512863
Energy: 1.929122438034867
Energy: 1.53979245512863
Energy: 1.462166728913848
Energy: 1.4529631881863412
Energy: 1.8609992757270355
Energy: 1.4529631881792444
Energy: 1.4747180585669184
Energy: 1.4489239692860922
Energy: 1.8700638107134215
Energy: 1.4489239692860922
Energy: 1.563777447606372
Energy: 1.5502741268516622
Energy: 1.8662979373570523
Energy: 1.5502741268469313
Energy: 1.742214637716328
Energy: 1.4744259365896626
Energy: 1.8680215976298664
Energy: 1.4744259365896626
Energy: 1.6990104547407996
Energy: 1.6051179619987475
Energy: 1.8642214064527665
Energy: 1.6051179619987475
Energy: 1.6982172279382464
Energy: 1.6007195631404814
Energy: 1.7055364049317225
Energy: 1.6007195631404814
Energy: 1.7419059286231091
Energy: 1.6078013401103275
Energy: 1.7705280112394928
Energy: 1.607801340107962
Energy: 1.8626903053012158
Energy: 1.607171804789335
Energy: 1.8417191356596376
Energy: 1.607171804789335
Energy: 1.7702765941814282
Energy: 1.6077292068307598
Energy: 1.818137729271669
Energy: 1.607729206828394

minimum gb energy = 1.447143485574692 eV
minimum distance =  2.29284006495708 Angstroms
sigma value = 17


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

Energy: 2.876903907319328
Energy: 1.6687036487437452
Energy: 1.685110952677647
Energy: 1.6461388601969154
Energy: 1.755786065409236
Energy: 1.5558436472145138
Energy: 1.7323576607393418
Energy: 1.555843647213174
Energy: 1.809617794838161
Energy: 1.5440845308131816
Energy: 1.4982035126275766
Energy: 1.5440845308118418
Energy: 1.8258930432331888
Energy: 1.55476572371397
Energy: 1.5444955102819986
Energy: 1.55476572371397
Energy: 1.7968237437057997
Energy: 1.6458726366798144
Energy: 1.8714903307654889
Energy: 1.6458726366784746
Energy: 1.8739540179791228
Energy: 1.6545609903626182
Energy: 1.7702954028404168
Energy: 1.6545609903639578
Energy: 1.9746099160084825
Energy: 1.607533495442596
Energy: 1.7802777265122305
Energy: 1.6075334954412561
Energy: 1.5947286098326738
Energy: 1.6002802490823587
Energy: 1.9068385928345721
Energy: 1.6002802490823587
Energy: 1.564987412171725
Energy: 1.564176131337343
Energy: 1.7828570899731
Energy: 1.564176131337343
Energy: 1.5201086966868016
Energy: 1.5969495739890476
Energy: 1.7956555125953113
Energy: 1.5969495739903876
Energy: 1.5168215367722768
Energy: 1.4922683519350604
Energy: 1.8070633920286254
Energy: 1.4922683519283615
Energy: 1.7837146157345352
Energy: 1.635652177092754
Energy: 1.8404439579846417
Energy: 1.635652177092754
Energy: 1.781171665362848
Energy: 1.6364255208396894
Energy: 1.7827525318249093
Energy: 1.6364255208396894
Energy: 1.7814476285492893
Energy: 1.6286649485090887
Energy: 1.515629109029415
Energy: 1.6286649485104285
Energy: 1.7721622899993523
Energy: 1.5707406323676725
Energy: 1.518880421186115
Energy: 1.5707406323676725
Energy: 1.7638716682909334
Energy: 1.5724057238859976
Energy: 1.582865908281113
Energy: 1.5724057238859976
Energy: 1.8484495783556245
Energy: 1.6007861069260017
Energy: 1.6003160382351385
Energy: 1.600786106923322
Energy: 1.8486351328056314
Energy: 1.5993745119202598
Energy: 1.8471790057732513
Energy: 1.5993745119202598
Energy: 1.7765452158392054
Energy: 1.6776769341634303
Energy: 1.8271901755297932
Energy: 1.6776769341620905
Energy: 1.5968730712149792
Energy: 1.6749969890590466
Energy: 1.8581621341021581
Energy: 1.6749969890603864
Energy: 1.4883879542671608
Energy: 1.5683084159780318
Energy: 1.804118635768159
Energy: 1.5683084159780318
Energy: 1.5296283033773714
Energy: 1.5434676986339495
Energy: 1.8400827296142033
Energy: 1.5434676986339495
Energy: 1.6812733395883626
Energy: 1.5914846085397152
Energy: 1.7976953957671906
Energy: 1.5914846085370358
Energy: 1.7602698210545813
Energy: 1.5496119013907
Energy: 1.8430534666271887
Energy: 1.5496119013813217
Energy: 1.8319790215189633
Energy: 1.627693981723677
Energy: 1.8002846836642836
Energy: 1.627693981722337
Energy: 1.6732621980836533
Energy: 1.6034510190682414
Energy: 1.8398594112739688
Energy: 1.6034510190669018
Energy: 1.6645288421311122
Energy: 1.5894720489590122
Energy: 1.7141943713458583
Energy: 1.5894720489576724
Energy: 1.8201681475418723
Energy: 1.6037310405500136
Energy: 1.647728407282148
Energy: 1.6037310405513534
Energy: 1.8159267305651146
Energy: 1.6665590784495339
Energy: 1.794067785879343
Energy: 1.6665590784535533
Energy: 1.8052288157028156
Energy: 1.5328436873090434
Energy: 1.7609133519075086
Energy: 1.5328436874604376

minimum gb energy = 1.4883879542671608 eV
minimum distance =  2.31917879253959 Angstroms
sigma value = 53


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

Energy: 1.8828048062645077
Energy: 1.815246502024863
Energy: 2.3196797287481945
Energy: 2.2014220935608817
Energy: 1.8272891807879994
Energy: 1.788904474032806
Energy: 1.8822559869023057
Energy: 1.7889044740297215
Energy: 1.7859679889689073
Energy: 1.7912354087098143
Energy: 1.7788501568153858
Energy: 1.7912354087098143
Energy: 1.677296426593866
Energy: 1.7971091280202485
Energy: 1.9335859521472583
Energy: 1.7971091280295017
Energy: 1.682090490576057
Energy: 1.3995182949986664
Energy: 1.5234161225798564
Energy: 1.3995182949986664
Energy: 1.677892502938082
Energy: 1.3698984122717066
Energy: 1.6778223606369282
Energy: 1.3698984122717066
Energy: 1.7053234395095485
Energy: 1.368094030177534
Energy: 1.3767858076204407
Energy: 1.368094030177534
Energy: 1.5624708301668362
Energy: 1.3992540537488787
Energy: 1.369653271134046
Energy: 1.3992540537488787
Energy: 1.6282239073309905
Energy: 1.3688124493110432
Energy: 1.6757391557874006
Energy: 1.3688124493079588
Energy: 1.8354065130718644
Energy: 1.789271026043869
Energy: 1.9329946057996177
Energy: 1.789271026046953
Energy: 1.62704971106281
Energy: 1.7932084032556783
Energy: 1.932802069302952
Energy: 1.793208403252594
Energy: 1.7854777282622845
Energy: 1.794153431488874
Energy: 1.933092887096775
Energy: 1.7941534314271863
Energy: 1.8870334895987255
Energy: 1.944961450462123
Energy: 2.0720859731674115
Energy: 1.944961450468292

minimum gb energy = 1.368094030177534 eV
minimum distance =  2.3280869979664 Angstroms
sigma value = 9


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

Energy: 2.2427416455998603
Energy: 1.7324606708347767
Energy: 2.2290513505711456
Energy: 2.2363175825394896
Energy: 2.0269931952663813
Energy: 1.6692716377504913
Energy: 1.857558483207893
Energy: 1.6692716377516328
Energy: 1.749465597880991
Energy: 1.6246157951233817
Energy: 1.7469385808052742
Energy: 1.6246157951245233
Energy: 1.7665756857378099
Energy: 1.6280488850421597
Energy: 1.6843313327554617
Energy: 1.628048885043301
Energy: 1.6561735930209194
Energy: 1.6238070251102703
Energy: 1.7971271427644764
Energy: 1.6238070251102703
Energy: 1.8187874072145507
Energy: 1.669162205471472
Energy: 1.9458383895766178
Energy: 1.6691622054703306
Energy: 1.9148143388875036
Energy: 1.9110385455363672
Energy: 2.20636116262629
Energy: 1.9110385455375087
Energy: 2.0357787942507155
Energy: 1.8435447903856679
Energy: 2.2078299278338043
Energy: 1.8435447903811013
Energy: 1.922678460071076
Energy: 1.6846144672680854
Energy: 1.8643720804825032
Energy: 1.6846144672646606
Energy: 1.6855244229285968
Energy: 1.6629565087547564
Energy: 1.7625477290199782
Energy: 1.662956508753615
Energy: 1.9220605232721775
Energy: 1.643805712909745
Energy: 1.5605552268235754
Energy: 1.643805712909745
Energy: 1.926198922923577
Energy: 1.7289411817909912
Energy: 1.739580442827891
Energy: 1.7289411817898497
Energy: 2.171874257924629
Energy: 1.720795050665307
Energy: 1.7347061880962198
Energy: 1.7207950506687317
Energy: 2.1712365829208844
Energy: 1.7292673266681082
Energy: 2.0090700084820283
Energy: 1.7292673266681082
Energy: 1.9706389340686126
Energy: 1.7572019206938105
Energy: 2.039891009051091
Energy: 1.7572019206949523
Energy: 1.8367466056779276
Energy: 1.712716402638789
Energy: 1.9578161870808937
Energy: 1.7127164026376478
Energy: 1.5895009862364937
Energy: 1.6200902964613164
Energy: 2.097951094382811
Energy: 1.6200902964590331
Energy: 1.6319835538497007
Energy: 1.690749828368752
Energy: 1.9448081418579717
Energy: 1.6907498283698936
Energy: 1.6437746147141494
Energy: 1.682051232717497
Energy: 2.1808017770310926
Energy: 1.6820512327186383
Energy: 1.643641290027549
Energy: 1.7562847893505908
Energy: 2.0412928835018977
Energy: 1.7562847893483076
Energy: 1.98521018427157
Energy: 1.7054335719927158
Energy: 1.970078492579352
Energy: 1.7054335719881493
Energy: 2.1318723782412765
Energy: 1.7445289262417774
Energy: 1.979467420272921
Energy: 1.7445289262463437
Energy: 2.1313584699583132
Energy: 1.732101639306404
Energy: 1.6403000473136296
Energy: 1.7321016393075452
Energy: 1.9954826352474884
Energy: 1.6406875870558277
Energy: 1.6560880619014788
Energy: 1.6406875870558277
Energy: 2.1162757102363283
Energy: 1.6533479788339702
Energy: 1.5992201288178653
Energy: 1.6533479788339702
Energy: 1.8510243419062067
Energy: 1.7126574461323056
Energy: 1.641110615647857
Energy: 1.7126574461323056
Energy: 2.0924013489222166
Energy: 1.7084865384356185
Energy: 2.0009682542277396
Energy: 1.7084865384333354
Energy: 1.9873957549368697
Energy: 1.7290949013374226
Energy: 1.9706792452922448
Energy: 1.7290949013374226
Energy: 1.7132499088974613
Energy: 1.76577807922786
Energy: 2.129042390142962
Energy: 1.7657780792232936
Energy: 1.7192435099491687
Energy: 1.7082453344005022
Energy: 2.0485263283020205
Energy: 1.7082453344005022
Energy: 1.6683137560511525
Energy: 1.6518026232498886
Energy: 1.964992160321076
Energy: 1.651802623248747
Energy: 1.6017150256989057
Energy: 1.6283698084374043
Energy: 1.89319160317863
Energy: 1.6283698084396876
Energy: 1.780078549529026
Energy: 1.6802670939813378
Energy: 1.8490270162883624
Energy: 1.6802670939813378
Energy: 1.9410285675216927
Energy: 1.6726999297980918
Energy: 1.992399481556236
Energy: 1.6726999298003749
Energy: 2.1283042381597057
Energy: 1.9442317151528288
Energy: 2.0179591785240847
Energy: 1.9442317151562536

minimum gb energy = 1.5605552268235754 eV
minimum distance =  2.25999973753167 Angstroms
sigma value = 73


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

Energy: 2.2779882437490167
Energy: 1.710438293863208
Energy: 2.231272304913636
Energy: 2.217025753237193
Energy: 2.0135368836608385
Energy: 1.7059543020449766
Energy: 1.8028046624153558
Energy: 1.7059543020449766
Energy: 1.7824899426616536
Energy: 1.6456238169548236
Energy: 1.740739449001658
Energy: 1.6456238169566348
Energy: 1.735632582361108
Energy: 1.642991376247309
Energy: 1.7388442924363587
Energy: 1.6429913762454977
Energy: 1.699517747320129
Energy: 1.6234276406918344
Energy: 1.8276977453833787
Energy: 1.6234276406900234
Energy: 1.8114390364263513
Energy: 1.678196931790646
Energy: 1.9321969984257295
Energy: 1.6781969317888348
Energy: 1.8065768187086066
Energy: 1.8030278530093957
Energy: 2.0838569840071504
Energy: 1.8030278530093957
Energy: 2.007522479091418
Energy: 1.7711679283084285
Energy: 2.0838730702635906
Energy: 1.7711679283102395
Energy: 1.962866798891151
Energy: 1.6808018057669991
Energy: 1.859564189486054
Energy: 1.6808018057669991
Energy: 1.7466915914115269
Energy: 1.7015216523519727
Energy: 1.7212938670271585
Energy: 1.7015216523519727
Energy: 2.0084036454869336
Energy: 1.6664268523576242
Energy: 1.5627757112963292
Energy: 1.6664268523576242
Energy: 1.912626373626944
Energy: 1.7242371427946315
Energy: 1.7184082403469672
Energy: 1.724237142796443
Energy: 1.9638209799165265
Energy: 1.6342868684469267
Energy: 1.6355223001714596
Energy: 1.6342868684469267
Energy: 1.9366520115327877
Energy: 1.6474447144825817
Energy: 2.009176325579571
Energy: 1.6474447144807705
Energy: 2.0617981305768036
Energy: 1.741668209215481
Energy: 2.088160129221295
Energy: 1.741668209215481
Energy: 1.8935520438665339
Energy: 1.7363320637572355
Energy: 2.1083060133530744
Energy: 1.7363320637572355
Energy: 1.633956918748439
Energy: 1.6671998102070844
Energy: 2.107525422931205
Energy: 1.6671998102070844
Energy: 1.6461856733068785
Energy: 1.7182206036851337
Energy: 2.0272065554769223
Energy: 1.7182206036851337
Energy: 1.6108016463784076
Energy: 1.597002152250393
Energy: 1.9661412864774002
Energy: 1.597002152250393
Energy: 1.722193202797001
Energy: 1.8029594213551832
Energy: 1.9425297582495582
Energy: 1.8029594213569946
Energy: 1.8899517121743226
Energy: 1.6950076464432438
Energy: 2.051864954207255
Energy: 1.6950076464450552
Energy: 2.1024732511644237
Energy: 1.7025775732007946
Energy: 2.0436813690890894
Energy: 1.7025775732007946

minimum gb energy = 1.5627757112963292 eV
minimum distance =  2.26263569308291 Angstroms
sigma value = 7


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

Energy: 2.944791525380796
Energy: 2.1396903513678054
Energy: 2.206257083603604
Energy: 2.4360306474827125
Energy: 2.393470776367247
Energy: 1.6859262542768472
Energy: 1.877556151499462
Energy: 1.6859262542794087
Energy: 1.8786657723895952
Energy: 1.701126161973844
Energy: 1.8121310739433354
Energy: 1.7011261619815283
Energy: 1.7663620467904178
Energy: 1.706685950560428
Energy: 1.7563584662131593
Energy: 1.7066859505591474
Energy: 1.7693545592795152
Energy: 1.6536504528694376
Energy: 1.8167631714107473
Energy: 1.6536504528694376
Energy: 1.8128064301302953
Energy: 1.739326512599716
Energy: 1.95874291768251
Energy: 1.7393265125971542
Energy: 1.9368197809953762
Energy: 1.7982290145967448
Energy: 2.0859403315021776
Energy: 1.7982290145993063
Energy: 1.990424288659371
Energy: 1.7080712272335485
Energy: 2.073211487103084
Energy: 1.708071227232268
Energy: 2.0644785685383966
Energy: 1.8324924717471764
Energy: 1.962547769708
Energy: 1.8324924717509021
Energy: 1.83559258174746
Energy: 1.6914103301452574
Energy: 1.6805720024483588
Energy: 1.6914103301593455
Energy: 2.060402247462704
Energy: 1.7402447140858863
Energy: 1.6055031200280323
Energy: 1.7402447140871669
Energy: 2.007984968113508
Energy: 1.7923622915134012
Energy: 1.7246374310720762
Energy: 1.7923622915172435
Energy: 2.1192545503982942
Energy: 1.662219979517018
Energy: 1.6750143472990493
Energy: 1.662219979515737
Energy: 2.1192995005157536
Energy: 1.7010897357746613
Energy: 1.9327438416347
Energy: 1.701089735770819
Energy: 2.142348011494945
Energy: 1.790669389640571
Energy: 2.012684978257613
Energy: 1.790669389640571
Energy: 2.0778523003101976
Energy: 1.6934813452010156
Energy: 2.2960381829363277
Energy: 1.693481345199735
Energy: 1.877649855335437
Energy: 1.6861579982005745
Energy: 2.29710671368395
Energy: 1.6861579982005745
Energy: 1.8123720423711558
Energy: 1.7207409797587547
Energy: 1.8768823101436771
Energy: 1.7207409797600355
Energy: 1.7047947249334015
Energy: 1.650483649250425
Energy: 1.76630896063591
Energy: 1.650483649250425
Energy: 1.8163503496824074
Energy: 1.656890580698882
Energy: 1.7077019163039129
Energy: 1.6568905806976015
Energy: 1.866940773663682
Energy: 1.785522056558575
Energy: 1.8082090658244718
Energy: 1.785522056557294
Energy: 2.0842911661972283
Energy: 1.7915313888752324
Energy: 1.7901476541430295
Energy: 1.791531388879075
Energy: 2.0848418760259593
Energy: 1.7921297541275236
Energy: 2.128336711088886
Energy: 1.792129754126243
Energy: 1.9589865269607176
Energy: 1.7429166284705253
Energy: 2.0582557434186888
Energy: 1.7429166284718056
Energy: 1.865982530326959
Energy: 1.6906435746263404
Energy: 1.830812418985316
Energy: 1.6906435746314632
Energy: 1.6092627526785723
Energy: 1.641743915361987
Energy: 1.815584392342773
Energy: 1.641743915360706
Energy: 1.7035047862184236
Energy: 1.8098351805739878
Energy: 1.9496731065733188
Energy: 1.8098351805752684
Energy: 1.6821695616432364
Energy: 1.6463640009654388
Energy: 2.126910164350086
Energy: 1.6463640009654388
Energy: 1.7549770507733553
Energy: 1.6926214623479037
Energy: 2.091520895757108
Energy: 1.6926214623479037
Energy: 2.0143384798929973
Energy: 1.7887671627460497
Energy: 2.0583493106136133
Energy: 1.7887671627473303
Energy: 2.2967520609566723
Energy: 1.693654309807812
Energy: 2.073886242876833
Energy: 1.6936543098052508

minimum gb energy = 1.6055031200280323 eV
minimum distance =  2.26803474953143 Angstroms
sigma value = 29


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

Energy: 2.105276106270499
Energy: 1.5875757700708752
Energy: 2.0219764496106647
Energy: 2.09344936326737
Energy: 1.846121478602804
Energy: 1.5979479692268672
Energy: 1.7809538653059753
Energy: 1.597947969231229
Energy: 1.8698391118259272
Energy: 1.6261110313576008
Energy: 1.7751479919615123
Energy: 1.6261110313576008
Energy: 1.7754183596357944
Energy: 1.6099181379793408
Energy: 1.4492644562645303
Energy: 1.6099181379793408
Energy: 1.7779471058672243
Energy: 1.637106754007293
Energy: 1.6663381563007702
Energy: 1.637106754007293
Energy: 1.7786352514816566
Energy: 1.6261434083536883
Energy: 1.8311388467291452
Energy: 1.6261434083536883
Energy: 1.8859037177534916
Energy: 1.8542704678957445
Energy: 1.6530233195979194
Energy: 1.8542704678957445
Energy: 1.9100314974784345
Energy: 1.582254159756455
Energy: 1.8194960800822508
Energy: 1.582254159756455
Energy: 1.8449178937476176
Energy: 1.596278911165375
Energy: 1.9218600028363515
Energy: 1.596278911165375

minimum gb energy = 1.4492644562645303 eV
minimum distance =  2.27495609568681 Angstroms
sigma value = 5


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

Energy: 2.0696223471000117
Energy: 1.9856371893992544
Energy: 2.2266047043561996
Energy: 2.1821307419376463
Energy: 1.9984259184941142
Energy: 1.843224893535265
Energy: 1.9662661720381622
Energy: 1.8432248935340554
Energy: 1.5545115402874672
Energy: 1.5680799538413543
Energy: 1.9597910098300064
Energy: 1.5680799538413543
Energy: 1.5563475391942028
Energy: 1.67962545062639
Energy: 1.8851209394636492
Energy: 1.67962545062639
Energy: 1.5769692905918624
Energy: 1.7804627314244195
Energy: 1.8575855885338917
Energy: 1.7804627314244195
Energy: 1.6377863942359336
Energy: 1.6361101056152116
Energy: 1.832845427749865
Energy: 1.6361101056164218
Energy: 1.601360508820393
Energy: 1.6280518783855757
Energy: 1.8012849823664334
Energy: 1.6280518783855757
Energy: 1.6027537901950282
Energy: 1.6081961988649496
Energy: 1.8253875038769836
Energy: 1.6081961988637397
Energy: 2.1143252805824604
Energy: 1.7173312232747393
Energy: 1.8280832271513237
Energy: 1.7173312232759492
Energy: 1.9462713811765697
Energy: 1.8402068377784682
Energy: 1.9005541936445212
Energy: 1.8402068377760483
Energy: 2.1155252846374357
Energy: 1.7257992161723064
Energy: 2.0354248571838096
Energy: 1.7257992161723064
Energy: 1.9954013080569233
Energy: 1.7709226493818748
Energy: 2.0381502478736357
Energy: 1.7709226493806651
Energy: 1.8092656605917135
Energy: 1.7912409189710643
Energy: 2.0222057619859433
Energy: 1.7912409189783232
Energy: 1.8240174155976014
Energy: 1.8341000774112954
Energy: 1.618423185622249
Energy: 1.834100077408876
Energy: 1.8100414207414106
Energy: 1.62504866622567
Energy: 1.6167800397702137
Energy: 1.62504866622567
Energy: 1.8053729312138607
Energy: 1.6010157284486404
Energy: 1.608849898723949
Energy: 1.6010157284474305
Energy: 1.8657317526853616
Energy: 1.6928409978378633
Energy: 1.6916591364440112
Energy: 1.6928409978390728
Energy: 1.9505396785206424
Energy: 1.5660769195244764
Energy: 1.560674023105067
Energy: 1.5660769195244764
Energy: 1.9550375336462105
Energy: 1.6731329192644897
Energy: 1.5682607712181527
Energy: 1.6731329192669095
Energy: 1.9700429567679298
Energy: 1.5775291913314544
Energy: 1.5576934928866848
Energy: 1.5775291913302445
Energy: 2.0025014016371907
Energy: 1.7035072095404067
Energy: 2.1241943910836896
Energy: 1.7035072095295183
Energy: 2.1356381292648483
Energy: 1.8430217734890344
Energy: 2.0974468657240397
Energy: 1.8430217734914538
Energy: 2.1135496255233575
Energy: 1.7651953046251392
Energy: 1.7156073508109424
Energy: 1.7651953046215099
Energy: 2.054408602070164
Energy: 1.6404025038763472
Energy: 1.6816335833003933
Energy: 1.6404025038702983
Energy: 2.043117694999467
Energy: 1.602664128435666
Energy: 1.601574287827276
Energy: 1.6026641284380858
Energy: 1.7693556947999676
Energy: 1.6171910438463264
Energy: 1.7781174873544696
Energy: 1.6171910438487458
Energy: 1.7044701671635893
Energy: 1.6080174384850072
Energy: 1.6896129400050437
Energy: 1.6080174384850072
Energy: 1.692858021850947
Energy: 1.6059828911299452
Energy: 1.7063558555479115
Energy: 1.605982891131155
Energy: 1.7140342987772474
Energy: 1.7822514743531808
Energy: 1.798812433685102
Energy: 1.7822514743507611
Energy: 1.6283111110157638
Energy: 1.6043902059011328
Energy: 1.9632398222114653
Energy: 1.604390205902343
Energy: 1.7142363421221518
Energy: 1.608443355356593
Energy: 1.9642448083006263
Energy: 1.6084433553602224
Energy: 1.7823871485609377
Energy: 1.7606117200088982
Energy: 2.0581906622597788
Energy: 1.760611720010108
Energy: 2.1654017118282622
Energy: 1.996967550091431
Energy: 2.116539238898884
Energy: 1.9969675500926407

minimum gb energy = 1.5545115402874672 eV
minimum distance =  2.24313883522756 Angstroms
sigma value = 1


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

Energy: 2.469288479442448
Energy: 1.6263971504718095
Energy: 1.9031946591584437
Energy: 1.9777006362373528
Energy: 1.994882351082525
Energy: 1.7354154877215806
Energy: 1.5353680197664843
Energy: 1.7354154877215806
Energy: 1.538559960049211
Energy: 1.5302012109732546
Energy: 1.8005926119792501
Energy: 1.530201210971582
Energy: 1.5500048633123011
Energy: 1.560788364589994
Energy: 1.5899745729515744
Energy: 1.560788364591667
Energy: 1.553133037844101
Energy: 1.5710289204107353
Energy: 1.635350309572695
Energy: 1.5710289204090624
Energy: 1.5468794924739697
Energy: 1.5730538153739748
Energy: 1.537989428461187
Energy: 1.573053815372302
Energy: 1.5336450348158803
Energy: 1.5613298000041778
Energy: 1.8022383752799553
Energy: 1.5613298000075235
Energy: 1.5168370315369648
Energy: 1.5320152636074478
Energy: 1.7988340239415326
Energy: 1.5320152636091204
Energy: 1.5393547318801983
Energy: 1.7354230387546083
Energy: 1.7467366116723493
Energy: 1.7354230387529357
Energy: 1.7894935563682113
Energy: 1.9199778859988998
Energy: 1.8873135050541994
Energy: 1.9199778860022452
Energy: 1.5393344892082599
Energy: 1.734655210432606
Energy: 1.778034946272835
Energy: 1.7346552104309332
Energy: 1.5392270852392842
Energy: 1.5059603319981927
Energy: 1.9973008876133973
Energy: 1.5059603319915016
Energy: 1.772151574447963
Energy: 1.5265578600040288
Energy: 1.9978072201496342
Energy: 1.5265578600057015
Energy: 1.5421960671437474
Energy: 1.7365563814752942
Energy: 1.5397158174054846
Energy: 1.7365563814736213
Energy: 1.593250525343969
Energy: 1.5606259959429567
Energy: 1.5391987040165929
Energy: 1.5606259959396114
Energy: 1.598574198183527
Energy: 1.5152354384934332
Energy: 1.5461241611516265
Energy: 1.5152354384850693
Energy: 1.630396397860906
Energy: 1.5253553676653355
Energy: 1.6388622564363258
Energy: 1.525355367663663
Energy: 1.7995140409391732
Energy: 1.515130845367385
Energy: 1.5348772110367555
Energy: 1.515130845362367
Energy: 1.802178846204316
Energy: 1.5783216704855605
Energy: 1.5374510595672986
Energy: 1.5783216704855605
Energy: 1.842999528784477
Energy: 1.5157253259204388
Energy: 1.5395386330811827
Energy: 1.5157253259221115
Energy: 1.798895609887868
Energy: 1.6975046288618698
Energy: 1.7957930791962762
Energy: 1.6975046288635423
Energy: 1.8271099575606888
Energy: 1.7757217720219887
Energy: 1.7946931746573183
Energy: 1.775721772020316
Energy: 1.794611572639335
Energy: 1.6668795272599999
Energy: 1.5389064014511744
Energy: 1.666879527261673
Energy: 1.9980461374159777
Energy: 1.5295145283942277
Energy: 1.7891701262686641
Energy: 1.5295145283908822

minimum gb energy = 1.5059603319915016 eV
minimum distance =  2.29025416243932 Angstroms
sigma value = 17


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

Energy: 2.3723662720045935
Energy: 1.9275610321210952
Energy: 2.0993282990350246
Energy: 2.096045262439927
Energy: 1.5303751971054915
Energy: 1.7862938083325222
Energy: 1.9587542461560576
Energy: 1.7862938083334616
Energy: 1.5163409985103342
Energy: 1.5187313644470402
Energy: 1.9274468646174903
Energy: 1.5187313644449727
Energy: 1.5245957849929788
Energy: 1.5269982542789102
Energy: 1.9387509290420917
Energy: 1.5269982542736469
Energy: 1.5548027828089004
Energy: 1.7481541290156761
Energy: 1.8591055754665617
Energy: 1.7481541290136084
Energy: 1.6448980217937925
Energy: 1.531041395320346
Energy: 1.6495701981551436
Energy: 1.5310413953235413
Energy: 1.6507988245184535
Energy: 1.5390859243213733
Energy: 1.6558026216550297
Energy: 1.5390859243213733
Energy: 1.6821569349992953
Energy: 1.5998411560134527
Energy: 1.6413795667981785
Energy: 1.599841156012325
Energy: 1.9821610802412761
Energy: 1.521573474644942
Energy: 1.5394791145290616
Energy: 1.521573474644942
Energy: 1.8868878914985792
Energy: 1.5236812140885505
Energy: 1.53406523369173
Energy: 1.5236812140894906
Energy: 2.0136307317822437
Energy: 1.510496435871898
Energy: 1.5176897939605076
Energy: 1.5104964358811088
Energy: 2.0457456943142525
Energy: 1.541373283653607
Energy: 2.1033177882568954
Energy: 1.5413732836588705
Energy: 2.073659908584686
Energy: 1.878565823983121
Energy: 2.0806129209262383
Energy: 1.8785658239801135
Energy: 1.9537388755058076
Energy: 1.8911770813144144
Energy: 1.5214621200536378
Energy: 1.891177081312347
Energy: 1.943368092419112
Energy: 1.5902731517691457
Energy: 1.6805775708181319
Energy: 1.5902731517702737
Energy: 2.0941161030936453
Energy: 1.524135817680652
Energy: 1.6053552722682685
Energy: 1.5241358176795243
Energy: 1.7217727222913686
Energy: 1.5958637884259783
Energy: 1.7728116097368496
Energy: 1.5958637884227824
Energy: 1.594679849483307
Energy: 1.5564184124137779
Energy: 1.7488068097974045
Energy: 1.5564184124169738
Energy: 1.6045356985579204
Energy: 1.544040415122204
Energy: 1.734101341305071
Energy: 1.5440404151233318
Energy: 1.616927709085556
Energy: 1.6911962047431046
Energy: 1.8897435331889927
Energy: 1.691196204741037
Energy: 1.5521960638127168
Energy: 1.5606457755020493
Energy: 1.8704536066961117
Energy: 1.5606457755009215
Energy: 1.5677770660863437
Energy: 1.5608938866083273
Energy: 1.8763633570003933
Energy: 1.5608938866053192
Energy: 1.5693642967008365
Energy: 1.8651869327199433
Energy: 1.8192808912414389
Energy: 1.8651869327199433
Energy: 2.0232450700198124
Energy: 1.7943697589782721
Energy: 1.8432466765245317
Energy: 1.7943697589792118
Energy: 2.104878795581434
Energy: 1.5577514690862673
Energy: 1.9329179625884458
Energy: 1.5577514690862673
Energy: 1.876430191874985
Energy: 1.6901599150594697
Energy: 1.7174852229077917
Energy: 1.690159915065673
Energy: 1.856687184172828
Energy: 1.8270732505819216
Energy: 2.0633753875546286
Energy: 1.827073250577786
Energy: 1.7767699115058166
Energy: 1.8279219766470582
Energy: 1.8772206767011739
Energy: 1.8279219766459303
Energy: 1.860280239213523
Energy: 1.5605664066409395
Energy: 1.5526691551474574
Energy: 1.5605664066398117
Energy: 1.811285447517547
Energy: 1.6033275045723405
Energy: 1.5556692405447994
Energy: 1.6033275045732804
Energy: 1.8447721943180104
Energy: 1.6094300314149397
Energy: 1.5647642135936164
Energy: 1.6094300314139998
Energy: 1.7810813175767772
Energy: 1.5682868071052178
Energy: 1.5923739947022018
Energy: 1.56828680710409
Energy: 1.7503183485727856
Energy: 1.5523306955855776
Energy: 1.5991961880011512
Energy: 1.5523306955887735
Energy: 1.734084942829184
Energy: 1.5471361446006293
Energy: 1.6115719600039748
Energy: 1.5471361446006293
Energy: 1.6426091422314781
Energy: 1.756520252343392
Energy: 1.9416959602542532
Energy: 1.756520252343392
Energy: 1.632534073708028
Energy: 1.6716065620943512
Energy: 1.9951803806467228
Energy: 1.6716065620934115
Energy: 1.663935287675704
Energy: 1.508837135564475
Energy: 2.0609740586573877
Energy: 1.5088371354984942
Energy: 2.101950544190388
Energy: 1.544610188311363
Energy: 2.0413383774827802
Energy: 1.5446101883092949

minimum gb energy = 1.5088371354984942 eV
minimum distance =  2.26274352248624 Angstroms
sigma value = 89


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

Energy: 2.6588452384716614
Energy: 1.4228282399656387
Energy: 1.786456655348228
Energy: 1.788765913059026
Energy: 1.4751392842460085
Energy: 1.4309040569608946
Energy: 1.4453541907027883
Energy: 1.4309040569690101
Energy: 1.4486873596362082
Energy: 1.4291216172078876
Energy: 1.642066012477358
Energy: 1.4291216172078876
Energy: 1.4451286080291552
Energy: 1.4279408548171457
Energy: 1.6398553644596505
Energy: 1.427940854819851
Energy: 1.4774456481179978
Energy: 1.4401545207683342
Energy: 1.6284920564141774
Energy: 1.4401545207710396
Energy: 1.5622077646517532
Energy: 1.4251308853979743
Energy: 1.5670998724115384
Energy: 1.4251308853979743
Energy: 1.5670125468877787
Energy: 1.4229367850301966
Energy: 1.5616230170830363
Energy: 1.4229367850274912
Energy: 1.6307050496931816
Energy: 1.4384095555956242
Energy: 1.5623356494272038
Energy: 1.4384095556010346
Energy: 1.5936980249649375
Energy: 1.4313277154240966
Energy: 1.448725431050978
Energy: 1.4313277154268016
Energy: 1.835550982887635
Energy: 1.4296053485717533
Energy: 1.4489323907684932
Energy: 1.4296053485744582
Energy: 1.706763310925215
Energy: 1.430444418831973
Energy: 1.4498684275421039
Energy: 1.430444418831973
Energy: 1.7252931990056997
Energy: 1.4282058927728358
Energy: 1.8053622246422565
Energy: 1.4282058927728358
Energy: 1.7596062894579751
Energy: 1.7305445376405586
Energy: 1.8065986824814393
Energy: 1.7305445376405586
Energy: 1.452495806463796
Energy: 1.8525109302956453
Energy: 1.449587778680712
Energy: 1.8525109302956453
Energy: 1.989791324455422
Energy: 1.4293274166479266
Energy: 1.448715662689855
Energy: 1.429327416650632

minimum gb energy = 1.4228282399656387 eV
minimum distance =  2.28851240609365 Angstroms
sigma value = 13


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

Energy: 1.725283089054494
Energy: 1.3980928233337968
Energy: 1.6606219166163223
Energy: 1.7136765413345143
Energy: 1.4299707027718904
Energy: 1.401964466586172
Energy: 1.4300423140541034
Energy: 1.4019644665884397
Energy: 1.41693881470861
Energy: 1.4027526538434267
Energy: 1.6903495020427834
Energy: 1.4027526538388917
Energy: 1.414072099173652
Energy: 1.4027808261268784
Energy: 1.681510795000269
Energy: 1.4027808261268784
Energy: 1.4220348754386274
Energy: 1.4128534454002355
Energy: 1.5512226059945762
Energy: 1.4128534454080697
Energy: 1.6055635550922123
Energy: 1.3796786584809717
Energy: 1.485445380580358
Energy: 1.3796786584774672
Energy: 1.6175231667936456
Energy: 1.38216759050188
Energy: 1.4889863597712403
Energy: 1.3821675905031168
Energy: 1.6599221260460502
Energy: 1.6674195999681447
Energy: 1.4751052580658133
Energy: 1.6674195999681447
Energy: 1.6163895379043134
Energy: 1.3802368093911828
Energy: 1.481559839818092
Energy: 1.3802368093911828
Energy: 1.6213509520837206
Energy: 1.3807875771781026
Energy: 1.477330836291538
Energy: 1.3807875771781026
Energy: 1.566499513778252
Energy: 1.5458045299327232
Energy: 1.5607761520838201
Energy: 1.5458045299248893
Energy: 1.421765314249237
Energy: 1.4016735623506817
Energy: 1.6935805407283682
Energy: 1.401673562342848
Energy: 1.422627428682334
Energy: 1.4000995313056934
Energy: 1.582438864849451
Energy: 1.4000995313056934
Energy: 1.417671862605704
Energy: 1.4030974467064676
Energy: 1.5881589382522514
Energy: 1.4030974467042
Energy: 1.580351406758325
Energy: 1.4067296199834702
Energy: 1.6840249898391029
Energy: 1.406729619977698
Energy: 1.9248962351013528
Energy: 1.3969963079703756
Energy: 1.695574114593438
Energy: 1.3969963079635725
Energy: 1.4198246214047896
Energy: 1.4035318894631474
Energy: 1.4169851436988299
Energy: 1.4035318894709812
Energy: 1.4207371660255743
Energy: 1.4010401007422741
Energy: 1.6806599229639168
Energy: 1.4010401007400062
Energy: 1.420012295192739
Energy: 1.398609851151038
Energy: 1.453483346532569
Energy: 1.3986098511815488
Energy: 1.588025713935673
Energy: 1.401095690337371
Energy: 1.4171083851239226
Energy: 1.4010956903361338
Energy: 1.682870043654076
Energy: 1.448721942857406
Energy: 1.416991717010027
Energy: 1.4487219428619418
Energy: 1.5495334267123893
Energy: 1.567756626364678
Energy: 1.423570525106329
Energy: 1.5677566263657086
Energy: 1.547314392838474
Energy: 1.3816417597191064
Energy: 1.6087025442537297
Energy: 1.3816417597178694
Energy: 1.482887791836534
Energy: 1.381130590739664
Energy: 1.530245429078603
Energy: 1.3811305907431688
Energy: 1.4794326309922217
Energy: 1.5467842168599033
Energy: 1.6120617177200292
Energy: 1.5467842168588726
Energy: 1.4772557072325587
Energy: 1.381030314956765
Energy: 1.667000476840766
Energy: 1.381030314956765
Energy: 1.4713937496324827
Energy: 1.3801084141914082
Energy: 1.603931503387028
Energy: 1.3801084141959437
Energy: 1.5521069573467385
Energy: 1.3832924356865848
Energy: 1.6033987977418747
Energy: 1.383292435685554
Energy: 1.5640507801176384
Energy: 1.4005195853820933
Energy: 1.4137910669006073
Energy: 1.4005195853752903
Energy: 1.6013243815819935
Energy: 1.3990153551258102
Energy: 1.4164646900968243
Energy: 1.3990153551245732
Energy: 1.59263968651068
Energy: 1.403550850251566
Energy: 1.4200726486606188
Energy: 1.4035508502548644
Energy: 1.6792820003401265
Energy: 1.3976609407772742
Energy: 1.9242656863995822
Energy: 1.3976609407548035
Energy: 1.6896923985816652
Energy: 1.43420544303493
Energy: 1.5805471985407011
Energy: 1.4342054430258593
Energy: 1.4151212965945326
Energy: 1.740957784174602
Energy: 1.4176964484829178
Energy: 1.7409577841564603
Energy: 1.4260500813453245
Energy: 1.4015887106795042
Energy: 1.4230087420139474
Energy: 1.4015887106795042

minimum gb energy = 1.3796786584774672 eV
minimum distance =  2.28188997706334 Angstroms
sigma value = 37


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

Energy: 1.722704818447212
Energy: 1.3837369503882195
Energy: 1.5537251354209785
Energy: 1.5899977744237586
Energy: 1.331421938489306
Energy: 1.3230889004095132
Energy: 1.32752934715594
Energy: 1.3230889004134148
Energy: 1.3303188037975064
Energy: 1.3173002613550961
Energy: 1.6449944984146643
Energy: 1.317300261357047
Energy: 1.3229669679907052
Energy: 1.3136248237245618
Energy: 1.6413628621077765
Energy: 1.3136248237226111
Energy: 1.5364212222199156
Energy: 1.5053291284047337
Energy: 1.4296237804410883
Energy: 1.5053291284066843
Energy: 1.4854004045850016
Energy: 1.2777516848639303
Energy: 1.368019870003836
Energy: 1.2777516848619797
Energy: 1.4856264579087612
Energy: 1.276037721611155
Energy: 1.3606758319832224
Energy: 1.2760377216131058
Energy: 1.5205071841266324
Energy: 1.4399653835378647
Energy: 1.3665922087488487
Energy: 1.4399653835398156
Energy: 1.4443454471060995
Energy: 1.2571285015220433
Energy: 1.435369432249111
Energy: 1.2571285015220433
Energy: 1.4351713038501948
Energy: 1.255558868411125
Energy: 1.4416635521382986
Energy: 1.255558868409174
Energy: 1.5133140906356994
Energy: 1.5816101142980838
Energy: 1.519314937936697
Energy: 1.5816101142980838
Energy: 1.3759141290088197
Energy: 1.277456816949315
Energy: 1.5681073055170751
Energy: 1.2774568169512657
Energy: 1.3677364573842175
Energy: 1.2778802884312659
Energy: 1.5681841339088822
Energy: 1.2778802884332165
Energy: 1.4274550936063783
Energy: 1.4823957552635811
Energy: 1.3342126343982763
Energy: 1.4823957552635811
Energy: 1.5663303391795653
Energy: 1.312816554267064
Energy: 1.3317672642570897
Energy: 1.312816554267064
Energy: 1.4445194511168047
Energy: 1.3134899708186656
Energy: 1.326393607996438
Energy: 1.3134899708186656
Energy: 1.3307387966031095
Energy: 1.7029044365091148
Energy: 1.3269843535784058
Energy: 1.7029044365071642
Energy: 1.5722346850738602
Energy: 1.5755248747686714
Energy: 1.3263001031711388
Energy: 1.5755248747667208
Energy: 1.3261784100390404
Energy: 1.3168718087447286
Energy: 1.3267788021562632
Energy: 1.3168718087447286
Energy: 1.3314220187109118
Energy: 1.3210001004982121
Energy: 1.3285867610677888
Energy: 1.3210001005040644

minimum gb energy = 1.255558868409174 eV
minimum distance =  2.28225738751353 Angstroms
sigma value = 25


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

Energy: 1.6473226451104415
Energy: 1.270667137224597
Energy: 1.4116629507373282
Energy: 1.434749334057556
Energy: 1.2252357089492094
Energy: 1.2950389764534045
Energy: 1.2289803345767345
Energy: 1.2950389764473114
Energy: 1.230383555797466
Energy: 1.2248799594615818
Energy: 1.3478183461475217
Energy: 1.2248799594600583
Energy: 1.2297681334770696
Energy: 1.2211110941958427
Energy: 1.473559013050204
Energy: 1.221111094197366
Energy: 1.2921044518047082
Energy: 1.187055350322341
Energy: 1.3005684807727496
Energy: 1.1870553503360504
Energy: 1.4073356976327003
Energy: 1.182702524244029
Energy: 1.2570662836262438
Energy: 1.1827025242425058
Energy: 1.3256250314867526
Energy: 1.1816617187661933
Energy: 1.2555755908893629
Energy: 1.18166171876924
Energy: 1.3636901354669655
Energy: 1.5799377964176373
Energy: 1.3180172524459413
Energy: 1.5799377964191608
Energy: 1.2923664959639058
Energy: 1.1482245261573563
Energy: 1.362180766196911
Energy: 1.1482245261573563
Energy: 1.2957797841961487
Energy: 1.1480354034664741
Energy: 1.4340646108663058
Energy: 1.1480354034664741
Energy: 1.3531440561256263
Energy: 1.5629232664295356
Energy: 1.3800067242039131
Energy: 1.5629232664295356
Energy: 1.3483827162807411
Energy: 1.1377943858555264
Energy: 1.3560486932632956
Energy: 1.13779438585248
Energy: 1.3540240092509614
Energy: 1.137099963105893
Energy: 1.3552503693744868
Energy: 1.1370999631074161
Energy: 1.3848449560906204
Energy: 1.5657942935346274
Energy: 1.3086528110037094
Energy: 1.5657942935346274
Energy: 1.3651252889328296
Energy: 1.1478165203798043
Energy: 1.2975445286091365
Energy: 1.1478165203782809
Energy: 1.367182224068779
Energy: 1.1518241840280703
Energy: 1.294386232569136
Energy: 1.1518241840265468
Energy: 1.301693417029743
Energy: 1.1828587923920257
Energy: 1.3627103876187088
Energy: 1.1828587923875944
Energy: 1.2533491818816473
Energy: 1.181995450217174
Energy: 1.3619734209096013
Energy: 1.181995450221744
Energy: 1.2470424540528222
Energy: 1.1813903044344751
Energy: 1.281325473327033
Energy: 1.181390304432952
Energy: 1.3004067051176915
Energy: 1.292731214352992
Energy: 1.2457627613142113
Energy: 1.292731214293723
Energy: 1.3342043517270974
Energy: 1.241401850162974
Energy: 1.2290991314839104
Energy: 1.2414018501660204
Energy: 1.3002898651273995
Energy: 1.2263461776915041
Energy: 1.2286461534795061
Energy: 1.2263461776884579
Energy: 1.2295539926660408
Energy: 1.2236946384368461
Energy: 1.3081407487607777
Energy: 1.2236946384398926
Energy: 1.4387735002184365
Energy: 1.241178392837173
Energy: 1.3484516023066715
Energy: 1.241178392832603
Energy: 1.22938713904591
Energy: 1.2928370003021465
Energy: 1.231333624254954
Energy: 1.2928370003097631
Energy: 1.3502144758117367
Energy: 1.2220541215060248
Energy: 1.2295782734016698
Energy: 1.2220541215075482

minimum gb energy = 1.137099963105893 eV
minimum distance =  2.28238818197806 Angstroms
sigma value = 41


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

Energy: 1.4144984462222947
Energy: 1.190726190448948
Energy: 1.2950343851981772
Energy: 1.3098633456172049
Energy: 1.1463577489412615
Energy: 1.1935456878612782
Energy: 1.1516244480581828
Energy: 1.1935456878437944
Energy: 1.1482785555737707
Energy: 1.1428559743106759
Energy: 1.2121967808909038
Energy: 1.1428559743230506
Energy: 1.1491933294180237
Energy: 1.1421593871806452
Energy: 1.201859598829068
Energy: 1.1421593871831428
Energy: 1.2513021612516937
Energy: 1.2000613476793105
Energy: 1.1588065462932613
Energy: 1.2000613476755642
Energy: 1.2441525024175892
Energy: 1.1078443779447114
Energy: 1.1690625794249452
Energy: 1.1078443779422138
Energy: 1.1629909968398453
Energy: 1.105345712294335
Energy: 1.1620931657931088
Energy: 1.1053457122980817
Energy: 1.259464014935222
Energy: 1.2806512944492001
Energy: 1.2337512130298995
Energy: 1.2806512944479513
Energy: 1.1873459943774207
Energy: 1.0704773507708734
Energy: 1.2982819467652484
Energy: 1.0704773507696246
Energy: 1.1934047565025234
Energy: 1.0689093900714357
Energy: 1.2973627293692782
Energy: 1.068909390070187
Energy: 1.2213068667188614
Energy: 1.4897114496694768
Energy: 1.2745064357207119
Energy: 1.4897114496719746
Energy: 1.2648649192796295
Energy: 1.0504509681700513
Energy: 1.2266391043369032
Energy: 1.0504509681713001
Energy: 1.3025220955834522
Energy: 1.0532181544198718
Energy: 1.2303982778530551
Energy: 1.0532181544211208
Energy: 1.259946796470237
Energy: 1.524916016618688
Energy: 1.2646593782270914
Energy: 1.5249160166199367
Energy: 1.2848988285463152
Energy: 1.0443119923519149
Energy: 1.2951780200475393
Energy: 1.0443119923519149
Energy: 1.279664270156677
Energy: 1.0499302090184446
Energy: 1.2631835734580767
Energy: 1.049930209015947
Energy: 1.2297590689484554
Energy: 1.0554031463037818
Energy: 1.2709552149178396
Energy: 1.0554031463075282
Energy: 1.2456357612098485
Energy: 1.0526188133883914
Energy: 1.2612442768033814
Energy: 1.05261881338964
Energy: 1.238284110908178
Energy: 1.0525872589516736
Energy: 1.3401755251738539
Energy: 1.0525872589541714
Energy: 1.2641225746002978
Energy: 1.073927183745815
Energy: 1.2066665024821355
Energy: 1.073927183747064
Energy: 1.2093025890744293
Energy: 1.0700666938379806
Energy: 1.189116322662493
Energy: 1.0700666938329852
Energy: 1.2487672435160175
Energy: 1.06985928769299
Energy: 1.2278441427843778
Energy: 1.0698592876904927
Energy: 1.174083572854934
Energy: 1.106457735268692
Energy: 1.2536624248940842
Energy: 1.1064577352736873
Energy: 1.1596136634714764
Energy: 1.106591744991779
Energy: 1.2223335062292446
Energy: 1.106591744991779
Energy: 1.1578009454122524
Energy: 1.1085675334408471
Energy: 1.1582902871292184
Energy: 1.1085675334982934
Energy: 1.2562129866537306
Energy: 1.1427785769050127
Energy: 1.2048272367044248
Energy: 1.1427785769050127
Energy: 1.2438018137365268
Energy: 1.14273085063383
Energy: 1.1568294595206805
Energy: 1.14273085063383
Energy: 1.2051604539425749
Energy: 1.6941043987441213
Energy: 1.1565469261797856
Energy: 1.694104398752863
Energy: 1.1547760574368444
Energy: 1.1420201645762618
Energy: 1.2439319825508939
Energy: 1.1420201645000831
Energy: 1.163176222715161
Energy: 1.1428887222490691
Energy: 1.2408597872773988
Energy: 1.1428887222515667
Energy: 1.1498834823944677
Energy: 1.198895048576027
Energy: 1.1537196369783358
Energy: 1.198895048571032
Energy: 1.2465135897755049
Energy: 1.1425091354375094
Energy: 1.206444782148007
Energy: 1.1425091355199324

minimum gb energy = 1.0443119923519149 eV
minimum distance =  2.27726427486851 Angstroms
sigma value = 15


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

Energy: 1.2752308895711266
Energy: 1.1683012774536141
Energy: 1.2760803911217786
Energy: 1.2023877947800143
Energy: 1.0785431004702881
Energy: 1.116385679662718
Energy: 1.1399363135625824
Energy: 1.116385679665988
Energy: 1.1498195764800225
Energy: 1.0758090461972267
Energy: 1.0965265767064882
Energy: 1.0758090461951106
Energy: 1.1065962114254313
Energy: 1.076658943596777
Energy: 1.1292665402927
Energy: 1.0766589435956229
Energy: 1.1815300836068048
Energy: 1.1123435796775523
Energy: 1.0875313227688006
Energy: 1.1123435796956334
Energy: 1.1654135944240356
Energy: 1.0448138977936907
Energy: 1.100687253349625
Energy: 1.0448138977946526
Energy: 1.1979444996864252
Energy: 1.042995007143916
Energy: 1.1130989657581776
Energy: 1.042995007147186
Energy: 1.1340762186113214
Energy: 1.1120482494228305
Energy: 1.1645351121866163
Energy: 1.112048249402826
Energy: 1.1092937378710828
Energy: 1.0268614055852643
Energy: 1.1345405506296038
Energy: 1.0268614055852643
Energy: 1.123794973666158
Energy: 1.0187281262513341
Energy: 1.1572770809474375
Energy: 1.0187281262501802
Energy: 1.152976390716925
Energy: 1.486482574440087
Energy: 1.1935050038076236
Energy: 1.4864825744389327
Energy: 1.3109550688646536
Energy: 0.9941130746802048
Energy: 1.1345923558779953
Energy: 0.9941130746832825
Energy: 1.2442477146053894
Energy: 0.9969719031126449
Energy: 1.1403589424581477
Energy: 0.9969719031157225
Energy: 1.1732917816451505
Energy: 1.3545356224886513
Energy: 1.1577993877231076
Energy: 1.3545356224907674
Energy: 1.1793786480127948
Energy: 0.9793909723802392
Energy: 1.286636718810155
Energy: 0.9793909723769693
Energy: 1.173958384350261
Energy: 0.9862370040640775
Energy: 1.1885245567479332
Energy: 0.9862370040652317
Energy: 1.211230574446994
Energy: 0.9779727656239852
Energy: 1.1729377978849225
Energy: 0.9779727656230235
Energy: 1.2391475099989124
Energy: 0.968147540010652
Energy: 1.2346810672390613
Energy: 0.9681475400127678
Energy: 1.1760727370266568
Energy: 0.9754064885282931
Energy: 1.2148359603331922
Energy: 0.9754064885282931
Energy: 1.187853813449764
Energy: 0.9889288542132187
Energy: 1.1696480355237664
Energy: 0.988928854212257
Energy: 1.2905043441519257
Energy: 0.9788348330781748
Energy: 1.1818544013558236
Energy: 0.9788348330770206
Energy: 1.1971676638794087
Energy: 1.0983693958022294
Energy: 1.173340775805656
Energy: 1.0983693958001135
Energy: 1.1459386580796729
Energy: 0.9967586284494655
Energy: 1.1701961338304394
Energy: 0.996758628446388
Energy: 1.1359142963390427
Energy: 0.9905116128698706
Energy: 1.2224340775506495
Energy: 0.9905116128687166
Energy: 1.1810048534246778
Energy: 1.1425222338668937
Energy: 1.149884680292492
Energy: 1.1425222338490049
Energy: 1.169904249038037
Energy: 1.0198939801389904
Energy: 1.1264930410754899
Energy: 1.0198939801401443
Energy: 1.2957640455071369
Energy: 1.0117990378458634
Energy: 1.1088925483352896
Energy: 1.0117990378449015
Energy: 1.1605899762456924
Energy: 1.1488156335369628
Energy: 1.1419417785539885
Energy: 1.1488156337389324
Energy: 1.0998026236205902
Energy: 1.042188758038148
Energy: 1.1750219701527422
Energy: 1.0421887580329543
Energy: 1.099031287579218
Energy: 1.0443395798574706
Energy: 1.147522655629851
Energy: 1.0443395798670883
Energy: 1.1285805533342124
Energy: 1.1125045304226429
Energy: 1.1776704906896045
Energy: 1.112504530409948
Energy: 1.2700631040347048
Energy: 1.076051768683651
Energy: 1.128352467538064
Energy: 1.0760517686930762
Energy: 1.1151312218101155
Energy: 1.0752807181263253
Energy: 1.1479181859590328
Energy: 1.0752807181326731
Energy: 1.140528085989565
Energy: 1.0591156178276528
Energy: 1.1318546008505241
Energy: 1.059115617837078
Energy: 1.2314394209849477
Energy: 1.239437142909197
Energy: 1.1631155722747328
Energy: 1.239437142911313
Energy: 1.1300399865968291
Energy: 1.088539220832762
Energy: 1.0885323691158113
Energy: 1.0885392208275686
Energy: 1.125724388067691
Energy: 1.0763893846253163
Energy: 1.1541465788157121
Energy: 1.07638938463378

minimum gb energy = 0.968147540010652 eV
minimum distance =  2.29141349044172 Angstroms
sigma value = 85


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

Energy: 1.221614869441345
Energy: 0.9480359101493545
Energy: 1.0861008768553921
Energy: 1.0648328533724367
Energy: 0.9335268966493364
Energy: 0.9351902203115706
Energy: 0.9403359086414865
Energy: 0.9351902203115706
Energy: 0.9427922028330874
Energy: 0.93246987246815
Energy: 0.9992760351343138
Energy: 0.9324698724699851
Energy: 0.939717168475295
Energy: 0.9336135824339489
Energy: 1.1070941969566528
Energy: 0.9336135824348664
Energy: 0.953977903875554
Energy: 0.977472750461039
Energy: 0.9862276753337401
Energy: 0.9774727504720495
Energy: 1.058214962596202
Energy: 0.9072767244580401
Energy: 0.9523726271192549
Energy: 0.9072767244580401
Energy: 1.108468835720782
Energy: 0.9086825619562899
Energy: 0.95610689300815
Energy: 0.9086825619553724
Energy: 0.9993353463974002
Energy: 1.043478374773061
Energy: 0.9837703146769652
Energy: 1.0434783748327014
Energy: 0.9822194230492726
Energy: 0.883111941515963
Energy: 1.00065170293776
Energy: 0.883111941515963
Energy: 0.9964194438949822
Energy: 0.884104887299459
Energy: 1.0277978586588403
Energy: 0.8841048872985414
Energy: 1.0121470134014428
Energy: 1.4010533962536291
Energy: 1.0398864340625718
Energy: 1.4010533962536291
Energy: 1.0527670802930105
Energy: 0.874112296198861
Energy: 1.009354240316726
Energy: 0.874112296198861
Energy: 1.050325764014384
Energy: 0.8721443469614395
Energy: 1.028166964546407
Energy: 0.8721443469614395
Energy: 1.0535931785937587
Energy: 0.8689269479633408
Energy: 1.0246564540101697
Energy: 0.8689269479596706
Energy: 1.0504512763855876
Energy: 0.8648417060662221
Energy: 1.1316169882769196
Energy: 0.8648417060653045
Energy: 1.0400155377610438
Energy: 0.868470152986198
Energy: 1.0542411320129814
Energy: 0.8684701529852804
Energy: 1.1294544843846201
Energy: 0.8661200335515569
Energy: 1.0549666485889102
Energy: 0.8661200335506395
Energy: 1.1315722337509955
Energy: 0.8643475554433995
Energy: 1.0836244180228407
Energy: 0.8643475554452346
Energy: 1.056206996879045
Energy: 0.8667644847200842
Energy: 1.0865808870636933
Energy: 0.866764484718249
Energy: 1.058660127959967
Energy: 0.8653868794395873
Energy: 1.117602877925805
Energy: 0.8653868794395873
Energy: 1.1157386769184832
Energy: 0.8663470018102402
Energy: 1.1144997108840635
Energy: 0.8663470018120754
Energy: 1.0476364987565372
Energy: 1.2883387439315699
Energy: 1.0574016666032546
Energy: 1.288338743929735
Energy: 1.0891182258702656
Energy: 0.8633135196330111
Energy: 1.0581901313461566
Energy: 0.8633135196339287
Energy: 1.0888869383594129
Energy: 0.8635129288812582
Energy: 1.1288879632289932
Energy: 0.8635129288794231
Energy: 1.0554867139352395
Energy: 1.3826548414641366
Energy: 1.0458378158749404
Energy: 1.3826548414641366
Energy: 1.0578957258116712
Energy: 0.8672803263878202
Energy: 1.0577793122568715
Energy: 0.8672803263887375
Energy: 1.055469080043467
Energy: 0.8676972613205516
Energy: 1.0447815234601028
Energy: 0.8676972613214692
Energy: 1.02535856741329
Energy: 1.3935989661878578
Energy: 1.051045662505808
Energy: 1.3935989661878578
Energy: 1.030368464972878
Energy: 0.873261233852998
Energy: 1.0135054088027284
Energy: 0.8732612338493277
Energy: 1.0129706151746192
Energy: 0.871109521217965
Energy: 1.01282896141606
Energy: 0.871109521217965
Energy: 1.0412617832661888
Energy: 0.887093542860041
Energy: 1.0127290464627794
Energy: 0.8870935428462778
Energy: 1.0651536695079769
Energy: 0.8883753734590693
Energy: 0.9845164377575688
Energy: 0.8883753734609043
Energy: 0.9837531020240653
Energy: 0.8860349326188874
Energy: 0.9796773092871514
Energy: 0.8860349326179698
Energy: 1.0223214564490695
Energy: 0.9691674058496675
Energy: 1.0287481442964872
Energy: 0.9691674058726062
Energy: 0.9522518707149892
Energy: 0.9066391565427829
Energy: 1.110760364765617
Energy: 0.906639156544618
Energy: 0.9532435164022675
Energy: 0.907744976940234
Energy: 1.028517820471213
Energy: 0.907744976938399
Energy: 0.9902162437054737
Energy: 0.9342676810718095
Energy: 0.9585324234403907
Energy: 0.9342676810708919
Energy: 0.9804348334764397
Energy: 0.9433070770595468
Energy: 0.9404006129106817
Energy: 0.9433070770604643
Energy: 0.9879472936623221
Energy: 0.9457000018525585
Energy: 0.9452268200754258
Energy: 0.945700001853476
Energy: 0.9409376206471912
Energy: 0.9355206145183133
Energy: 1.0094880777484856
Energy: 0.9355206145173958
Energy: 0.943306721886014
Energy: 0.9321104794721377
Energy: 1.1102480502351144
Energy: 0.9321104794730554
Energy: 0.9411054923687188
Energy: 0.9807269567077179
Energy: 0.9415468086416096
Energy: 0.9807269567187284
Energy: 0.9724670330497284
Energy: 0.9337752687916142
Energy: 0.941298629879383
Energy: 0.9337752687989547

minimum gb energy = 0.8633135196330111 eV
minimum distance =  2.27949575437045 Angstroms
sigma value = 113


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

Energy: 0.04817526046725367
Energy: 0.04951416246284036
Energy: 1.2665134415191803
Energy: 0.14544678430081767
Energy: 0.05018090227783015
Energy: 0.5210370816708682
Energy: 0.13496140739169446
Energy: 0.5210370816701627
Energy: 0.13858848100280624
Energy: 0.1458083242473623
Energy: 0.04973196851080393
Energy: 0.14580832424806764
Energy: 0.13281090211628074
Energy: 0.14722433346261887
Energy: 0.05131247949289438
Energy: 0.14722433346128652
Energy: 0.13473266117831809
Energy: 0.519351739239204
Energy: 0.13408108646385666
Energy: 0.519351739239204
Energy: 0.0493605454901333
Energy: 0.14610273626825954
Energy: 0.13878189460493218
Energy: 0.1461027362662218

minimum gb energy = 0.04817526046725367 eV
minimum distance =  2.45588889354917 Angstroms
sigma value = 1