Model name: model_name=MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6133156493306164
cohesive_energy=3.54027843892012
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-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: 0.013667490323719726
Energy: 0.01417043910388097
Energy: 0.6971412688314153
Energy: 0.10380359226281173
Energy: 0.01417043910388097
Energy: 0.7108730555725209
Energy: 0.10380359226343953
Energy: 0.7108730555719279
Energy: 0.6971412688375539
Energy: 0.10380359226159101
Energy: 0.013667490323719726
Energy: 0.01417043910388097
Energy: 0.10380359226281173
Energy: 0.7108730555700794
Energy: 0.01417043910388097
Energy: 0.7108730555694516

minimum gb energy = 0.013667490323719726 eV
minimum distance =  2.48462684746705 Angstroms
sigma value = 1


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

Energy: 1.2641387468202157
Energy: 0.8151610070703791
Energy: 0.910937714035844
Energy: 0.9095427726948639
Energy: 0.9354452546028049
Energy: 0.8966674199297672
Energy: 0.8784094563816596
Energy: 0.8966674199297672
Energy: 0.909574361232967
Energy: 0.9096326303322626
Energy: 1.376034833901036
Energy: 0.9096326303322626
Energy: 0.8737861428715582
Energy: 1.042770773170148
Energy: 0.8779842265610407
Energy: 1.042770773170148
Energy: 1.1735197099634351
Energy: 0.8566249875635144
Energy: 0.824262626718655
Energy: 0.8566249875627531
Energy: 0.9187069491366873
Energy: 1.178531107297345
Energy: 0.845986194482981
Energy: 1.178531107297345
Energy: 0.8863016362151869
Energy: 0.9465652030171823
Energy: 1.174428275314281
Energy: 0.9465652030164209
Energy: 0.8797835203714012
Energy: 1.202790519001292
Energy: 0.8964721205535342
Energy: 1.2027905190020536
Energy: 1.00765189041492
Energy: 0.990538247653977
Energy: 1.0111381724040502
Energy: 0.990538247653977
Energy: 0.894223187453662
Energy: 1.2410433103747567
Energy: 0.8799100783031645
Energy: 1.2410433103747567
Energy: 1.0830237829726028
Energy: 0.9906902571823212
Energy: 1.0096555308179482
Energy: 0.9906902571830825
Energy: 0.8768311967815761
Energy: 1.0790993665853506
Energy: 0.8995805465343252
Energy: 1.0790993665868736
Energy: 0.8827241734336067
Energy: 0.9467524428037963
Energy: 1.266892186831545
Energy: 0.9467524428045577
Energy: 0.9186155402805389
Energy: 1.179121776522215
Energy: 0.8826376160601159
Energy: 1.1791217765214537
Energy: 1.2654372423934792
Energy: 0.8562212182375615
Energy: 0.8210788220661867
Energy: 0.8562212182368001
Energy: 0.8554291707028622
Energy: 1.0422056806028197
Energy: 0.8777887661010516
Energy: 1.0422056806020583
Energy: 0.910072957740572
Energy: 0.9065499951127776
Energy: 1.4857742094855788
Energy: 0.9065499951127776
Energy: 0.8779408207063679
Energy: 0.8749941988961281
Energy: 0.9356802672686468
Energy: 0.8749941988976508
Energy: 1.3769031333438353
Energy: 0.90753239995329
Energy: 0.9090279368983628
Energy: 0.90753239995329
Energy: 0.9182007331862038
Energy: 1.0427172986027013
Energy: 0.8732723295327168
Energy: 1.042717298604224
Energy: 0.8212331552982155
Energy: 0.8565711868057301
Energy: 1.1743092351597937
Energy: 0.8565711868057301
Energy: 0.8699095807006464
Energy: 1.2772310009353838
Energy: 0.918429312733731
Energy: 1.2772310009361456
Energy: 1.1738170315178549
Energy: 0.9500990978489684
Energy: 0.8825704772265229
Energy: 0.950099097852014
Energy: 0.896835532395121
Energy: 1.2027946286092455
Energy: 0.8777393123370346
Energy: 1.2027946286092455
Energy: 1.0090531601851083
Energy: 0.9921425241953923
Energy: 1.0085053811103002
Energy: 0.9921425241953923
Energy: 0.8815777235324741
Energy: 0.9916448549799816
Energy: 0.896218071017906
Energy: 0.991644854980743
Energy: 1.0083364366727094
Energy: 0.992514760717146
Energy: 1.0863587934259171
Energy: 0.9925147607163846
Energy: 0.8972333793558951
Energy: 1.0211260924176828
Energy: 0.8876437577796366
Energy: 1.0211260924184442
Energy: 1.2707126622951437
Energy: 0.9469104318680999
Energy: 0.8821795173416445
Energy: 0.9469104318665771
Energy: 0.8827736501265283
Energy: 1.004853688091993
Energy: 0.918408459752046
Energy: 1.0048536880912315
Energy: 0.820670811265243
Energy: 0.8554968700523834
Energy: 1.2691248092613792
Energy: 0.8554968700523834
Energy: 0.8781144703537827
Energy: 1.0421465637676266
Energy: 0.8552763634981118
Energy: 1.0421465637676266
Energy: 1.4886076757371958
Energy: 0.8717680811523633
Energy: 0.9100772797437361
Energy: 0.8717680811516018

minimum gb energy = 0.8151610070703791 eV
minimum distance =  2.28664715030779 Angstroms
sigma value = 1


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

Energy: 1.4330390133776225
Energy: 0.8508197978757306
Energy: 0.9577758479738986
Energy: 0.9587091602826816
Energy: 0.9884520134460187
Energy: 0.9394631751250645
Energy: 0.9224808008144256
Energy: 0.9394631751250645
Energy: 0.9597279262881926
Energy: 0.9594954563569246
Energy: 1.3148620091963663
Energy: 0.9594954563551884
Energy: 0.9202640527262387
Energy: 1.065427336365586
Energy: 0.9230061627982273
Energy: 1.065427336366454
Energy: 1.3146696879637563
Energy: 0.8996599037844464
Energy: 0.8608847801164174
Energy: 0.8996599037835783
Energy: 0.9702677559244484
Energy: 1.2876385427195136
Energy: 0.8889488599185078
Energy: 1.2876385427221178
Energy: 0.9401348753748288
Energy: 1.0040702783166708
Energy: 1.100680459351383
Energy: 1.0040702783166708
Energy: 0.9223243492229204
Energy: 1.2189968935154878
Energy: 0.946066574317853
Energy: 1.218996893517224
Energy: 1.1005938016397128
Energy: 1.0476838003092412
Energy: 1.007645106053951
Energy: 1.0476838003109776
Energy: 0.9470112552552097
Energy: 1.068206418630881
Energy: 0.9227606962263493
Energy: 1.068206418631749
Energy: 1.1966557402398852
Energy: 1.0037107553548694
Energy: 0.9414499774827687
Energy: 1.0037107553557376
Energy: 0.9317640782631988
Energy: 1.178371256741964
Energy: 0.9697772357367026
Energy: 1.1783712561492783
Energy: 0.8617806876642533
Energy: 0.9007526405243403
Energy: 1.196137333767979
Energy: 0.9007526405226041
Energy: 0.9225458648856831
Energy: 1.065280268889875
Energy: 0.8973924826006471
Energy: 1.065280268889875
Energy: 1.434743138141389
Energy: 0.9592372801798627
Energy: 0.9584378662734832
Energy: 0.9592372801763903
Energy: 0.9884933971220135
Energy: 0.918813015585544
Energy: 0.9225819632412481
Energy: 0.918813015585544
Energy: 0.9577107426637753
Energy: 0.9589476962742228
Energy: 1.3156091077599805
Energy: 0.9589476962742228
Energy: 0.9177556694113806
Energy: 1.0653284940095582
Energy: 0.9692711436537457
Energy: 1.0653284940112944
Energy: 1.315219242116859
Energy: 0.8998082047744826
Energy: 0.8615579874540317
Energy: 0.8998082047753508
Energy: 0.9702616068640355
Energy: 1.28802635166951
Energy: 0.8895638548095712
Energy: 1.28802635166951
Energy: 0.9416643262086369
Energy: 1.0040902110494787
Energy: 1.1006585679615815
Energy: 1.0040902110503467
Energy: 0.922341449437554
Energy: 1.137987776703954
Energy: 0.9468010875873031
Energy: 1.1379877767030857
Energy: 1.1014338393354755
Energy: 1.0481772524465516
Energy: 1.0120418990350235
Energy: 1.0481772524465516
Energy: 0.9472871880931706
Energy: 1.043437277852209
Energy: 0.9357693144582757
Energy: 1.043437277852209
Energy: 1.194889543093339
Energy: 1.002989686992705
Energy: 0.9398710125184778
Energy: 1.0029896869944412
Energy: 0.9319858901784436
Energy: 1.0574699691441296
Energy: 0.9691728092607299
Energy: 1.0574699691423932
Energy: 0.8612732641359206
Energy: 0.8615769131065938
Energy: 1.199221575748417
Energy: 0.8615769131118026
Energy: 0.922591881660801
Energy: 0.8621411951166802
Energy: 0.8976076988037739
Energy: 0.8621411951149439
Energy: 1.438867153500077
Energy: 0.9190280206274603
Energy: 0.9576138725065886
Energy: 0.9190280206274603

minimum gb energy = 0.8508197978757306 eV
minimum distance =  2.29017627589438 Angstroms
sigma value = 25


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

Energy: 1.3583458454790134
Energy: 0.8884513597685006
Energy: 1.0126430962681487
Energy: 1.0124476215705756
Energy: 1.0483302606423062
Energy: 0.9844875961673962
Energy: 0.9724121874313841
Energy: 0.9844875961673962
Energy: 1.0121806858055535
Energy: 1.0128009102832516
Energy: 1.2302854173490996
Energy: 1.0128009102812334
Energy: 0.9657909233457269
Energy: 1.0867782823136891
Energy: 0.9727940924533472
Energy: 1.0867782823146983
Energy: 1.2322824930895229
Energy: 0.9049480897987862
Energy: 0.9048364775487107
Energy: 0.9049480897826396
Energy: 1.027197034763982
Energy: 1.302809956171748
Energy: 0.9361390400425018
Energy: 1.3028099561707391
Energy: 1.0156455847819033
Energy: 1.0705944225393633
Energy: 1.0146936372444775
Energy: 1.0705944225393633
Energy: 0.9724342620146231
Energy: 1.3360271588014698
Energy: 1.0034900552627157
Energy: 1.3360271588004606
Energy: 1.0154720090714355
Energy: 1.068860153106162
Energy: 1.1072147570324202
Energy: 1.068860153106162
Energy: 1.0274659617544082
Energy: 1.1687165139114513
Energy: 0.990347470323162
Energy: 1.168716513910442
Energy: 1.362786194809018
Energy: 0.9469710792753059
Energy: 0.9036149906671425
Energy: 0.9469710792753059
Energy: 0.9444744039995925
Energy: 1.0869207659268947
Energy: 0.9724086240777075
Energy: 1.0869207659268947
Energy: 1.0119229784567298
Energy: 1.0122097385093078
Energy: 1.360525643085385
Energy: 1.0122097385093078
Energy: 0.9726200643693182
Energy: 0.9661106763390106
Energy: 1.0472465029452693
Energy: 0.9661106763390106
Energy: 1.2310661975636592
Energy: 1.0124809324896862
Energy: 1.01370084190281
Energy: 1.0124809324896862
Energy: 1.072744618077355
Energy: 0.9853900815073006
Energy: 0.9656206638183447
Energy: 0.9853900815073006
Energy: 0.9050637255472084
Energy: 0.9049188710070066
Energy: 1.2327626285384636
Energy: 0.9049188710090249
Energy: 0.9359157504227319
Energy: 1.3032817194353015
Energy: 1.027597278412186
Energy: 1.3032817194353015
Energy: 1.0147711643037018
Energy: 1.1121456536486074
Energy: 1.0165154550811546
Energy: 1.1121456536486074
Energy: 1.0045607942470043
Energy: 1.0709575068941841
Energy: 0.9739737107478303
Energy: 1.070957506893175
Energy: 1.1027792588335785
Energy: 1.0679178090002472
Energy: 1.0146293360146208
Energy: 1.0679178090002472
Energy: 0.9874836715289456
Energy: 1.083163936079655
Energy: 1.0265796527746165
Energy: 1.083163936079655
Energy: 0.904978034673973
Energy: 0.9476896227270543
Energy: 1.361345869857465
Energy: 0.9476896227280635
Energy: 0.972544592023024
Energy: 0.9490452556929011
Energy: 0.9440359247789263
Energy: 0.9490452556939103
Energy: 1.358781585925458
Energy: 0.9649855413749564
Energy: 1.012465038993587
Energy: 0.9649855413749564

minimum gb energy = 0.8884513597685006 eV
minimum distance =  2.29346180332508 Angstroms
sigma value = 9


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

Energy: 1.2474170527728152
Energy: 0.9221145032359604
Energy: 1.0700861432300013
Energy: 1.069597643005148
Energy: 1.1116020878428623
Energy: 1.025397389067726
Energy: 1.024755372569962
Energy: 1.025397389067726
Energy: 1.0700913535320946
Energy: 1.0695910200949041
Energy: 1.4687852786445799
Energy: 1.0695910200937004
Energy: 1.0122760249627767
Energy: 1.1050734226219094
Energy: 1.0248487195753135
Energy: 1.1050734226219094
Energy: 1.1187136597576564
Energy: 0.9535671307964582
Energy: 0.9531992785356073
Energy: 0.9535671307928466
Energy: 1.0921629028621689
Energy: 1.2943863139356866
Energy: 0.9844782387912604
Energy: 1.2943863139356866
Energy: 0.9902133459082324
Energy: 1.1750705952065437
Energy: 1.1210816726076682
Energy: 1.1750705952053397
Energy: 1.0527269894481552
Energy: 1.2911224319101409
Energy: 1.091481802752302
Energy: 1.2911224319113448
Energy: 0.951678609370265
Energy: 0.9532160270429758
Energy: 1.2509674885940059
Energy: 0.9532160270429758
Energy: 1.0245324265458808
Energy: 1.1046389632859082
Energy: 0.9904532011846247
Energy: 1.1046389632859082
Energy: 1.2502456981181984
Energy: 1.0695165973872802
Energy: 1.0766233752095338
Energy: 1.0695165973848724
Energy: 1.1112644906077627
Energy: 1.012619072785858
Energy: 1.0247968433881824
Energy: 1.012619072785858
Energy: 1.0707217951039227
Energy: 1.0697696511285255
Energy: 1.4699462056278274
Energy: 1.0697696511285255
Energy: 1.0126787111140594
Energy: 1.0248716387149313
Energy: 1.1487370522966156
Energy: 1.0248716387161352
Energy: 1.1188408057268058
Energy: 0.9534375152428041
Energy: 0.9526675756206808
Energy: 0.953437515244008
Energy: 1.0916405309553883
Energy: 0.9980943847840684
Energy: 0.9519765147222304
Energy: 0.9980943847840684
Energy: 0.9900958298253817
Energy: 1.176383589474446
Energy: 1.1205072079586138
Energy: 1.176383589473242
Energy: 0.9901492257899589
Energy: 1.1404277730365975
Energy: 1.0911474729877833
Energy: 1.1404277730365975
Energy: 0.9509931935098682
Energy: 0.9528909904757386
Energy: 1.2514985994166197
Energy: 0.9528909904853695
Energy: 1.0246599766251412
Energy: 0.9997736675731194
Energy: 0.9902373789366202
Energy: 0.9997736675731194
Energy: 1.2475553768186196
Energy: 1.0121867495786367
Energy: 1.0700276565220612
Energy: 1.0121867495786367

minimum gb energy = 0.9221145032359604 eV
minimum distance =  2.29592945025356 Angstroms
sigma value = 25


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

Energy: 1.0871566559153747
Energy: 0.9435696196887372
Energy: 1.1382034774240872
Energy: 1.1280999551774469
Energy: 1.1839387211383363
Energy: 1.0167735044243942
Energy: 1.0736029748626514
Energy: 1.0167735044243942
Energy: 1.1282571264263168
Energy: 1.1283650455900198
Energy: 1.3364788121750162
Energy: 1.1283650455900198
Energy: 1.0609669097033443
Energy: 1.0177259409807995
Energy: 1.0736413861246032
Energy: 1.0177259409807995
Energy: 1.0092134850290562
Energy: 1.1324643165577106
Energy: 1.013661046375689
Energy: 1.1324643165577106
Energy: 1.1884346179267589
Energy: 1.0534403022370338
Energy: 0.9621759305222377
Energy: 1.0534403022385224
Energy: 1.089659272887581
Energy: 1.1060123994995084
Energy: 1.0114574872619535
Energy: 1.1060123995009972
Energy: 1.0749373258083212
Energy: 1.0916210231539316
Energy: 1.0735936416427583
Energy: 1.0916210231539316
Energy: 1.1376500023829699
Energy: 1.1792917471561897
Energy: 1.593280030385533
Energy: 1.179291747154701
Energy: 1.0735827261266218
Energy: 1.0178860478830167
Energy: 1.18417713278595
Energy: 1.0178860478830167
Energy: 1.3376568501055046
Energy: 1.1283416147565029
Energy: 1.1299248343508075
Energy: 1.1283416147550138
Energy: 1.1876054242594725
Energy: 1.018028535382893
Energy: 1.1298106544687334
Energy: 1.018028535382893
Energy: 1.0801374733455018
Energy: 1.1070233712090105
Energy: 1.009668786325964
Energy: 1.1070233634796072
Energy: 1.0134685316803074
Energy: 1.1059335902449294
Energy: 1.1898492695273906
Energy: 1.1059335902464182
Energy: 1.010328887157882
Energy: 1.0910426762660068
Energy: 1.1516483161532634
Energy: 1.0910426762660068
Energy: 1.073624217350228
Energy: 1.0917933593804612
Energy: 1.0907995822348593
Energy: 1.0917933593789724
Energy: 1.1851268691863677
Energy: 1.1796368021263355
Energy: 1.1379856749425878
Energy: 1.1796368021263355

minimum gb energy = 0.9435696196887372 eV
minimum distance =  2.29547487119945 Angstroms
sigma value = 17


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

Energy: 1.5222191758409593
Energy: 1.176935953315739
Energy: 1.277505447817203
Energy: 1.2797067862737794
Energy: 1.0377414029940533
Energy: 1.0167292676733048
Energy: 1.2153688059772914
Energy: 1.0167292676176927
Energy: 1.0579166460721188
Energy: 1.0635707330252602
Energy: 1.3801933164721256
Energy: 1.0635707330252602
Energy: 1.0146834929626758
Energy: 1.0834507490793313
Energy: 1.2158638918175262
Energy: 1.0834507490793313
Energy: 1.1399730283450278
Energy: 1.2489705355610312
Energy: 1.0374725921104735
Energy: 1.2489705355610312
Energy: 1.2160356229867335
Energy: 1.1426292213829994
Energy: 1.0995916976688178
Energy: 1.1426292213829994
Energy: 1.2405143038542934
Energy: 1.0652799637009531
Energy: 1.0650456790434968
Energy: 1.0652799637009531
Energy: 1.2681204045665737
Energy: 1.0647004071310204
Energy: 1.0627381803162859
Energy: 1.0647004071310204
Energy: 1.2794051887769882
Energy: 1.2789502634700542
Energy: 1.3818657109025096
Energy: 1.2789502634700542
Energy: 1.2052810287996998
Energy: 1.1367324342778964
Energy: 1.2138657376763837
Energy: 1.1367324342787397
Energy: 1.1385156828762653
Energy: 1.1664979826456314
Energy: 1.0540959952445734
Energy: 1.1664979826557498
Energy: 1.2701586437535743
Energy: 1.1341462843716426
Energy: 0.9967147081300487
Energy: 1.1341462843733288
Energy: 1.0761845896181494
Energy: 1.1338377993948012
Energy: 0.9957259700469816
Energy: 1.1338377993948012
Energy: 1.2375565386621217
Energy: 1.04083858924893
Energy: 1.053598050000514
Energy: 1.04083858924893
Energy: 1.273929583939845
Energy: 1.2672794816517579
Energy: 1.3138583808383735
Energy: 1.2672794816509148
Energy: 1.280288819901742
Energy: 1.2241827135582866
Energy: 1.5508030865220868
Energy: 1.2241827135574432
Energy: 1.4387055519449452
Energy: 1.064809596253197
Energy: 1.0644139453448478
Energy: 1.0648095962548831
Energy: 1.3685874413806296
Energy: 1.0645163402021385
Energy: 1.057459141654192
Energy: 1.0645163402038247
Energy: 1.2138864403062097
Energy: 1.1220215529987725
Energy: 1.139292014345813
Energy: 1.1220215529970863
Energy: 1.0370571143889409
Energy: 1.3218008717549854
Energy: 1.1266870834201446
Energy: 1.3218008717549854
Energy: 1.0153676888237355
Energy: 1.017244134693464
Energy: 1.268975903282313
Energy: 1.0172441346943073
Energy: 1.06341193167128
Energy: 1.0708985586578457
Energy: 1.2357827695244896
Energy: 1.0708985586561592
Energy: 1.2153748289605748
Energy: 1.1500426609807324
Energy: 1.2315888823558705
Energy: 1.1500426609815755
Energy: 1.3811381709910489
Energy: 1.2792256950789642
Energy: 1.2802814264511182
Energy: 1.2792256950781213
Energy: 0.9971989524054435
Energy: 1.150588746027395
Energy: 1.1741078357107004
Energy: 1.150588746024022
Energy: 0.9956899353933931
Energy: 0.9969412957082078
Energy: 1.140305459178695
Energy: 0.9969412957082078
Energy: 1.0330157381619782
Energy: 0.9959408965655905
Energy: 1.2698003182814364
Energy: 0.9959408965647473
Energy: 0.9954103161223143
Energy: 0.9967265430671194
Energy: 1.2382917837564915
Energy: 0.9967265430629035
Energy: 1.055660798074981
Energy: 1.0143176262601743
Energy: 1.1728375487059644
Energy: 1.0143176262601743
Energy: 1.5232700057391981
Energy: 1.2801729498015137
Energy: 1.2749002579941366
Energy: 1.2801729498006702

minimum gb energy = 0.9954103161223143 eV
minimum distance =  2.28639284720937 Angstroms
sigma value = 53


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

Energy: 1.3594578452653088
Energy: 0.9167257813598497
Energy: 1.1730034618472136
Energy: 1.1723631195760724
Energy: 1.294571178766313
Energy: 1.1435625275676329
Energy: 1.118827520966832
Energy: 1.1435625275676329
Energy: 1.1681401369425466
Energy: 1.437351753261434
Energy: 1.1269652644295547
Energy: 1.437351753261434
Energy: 1.0992155057893331
Energy: 1.1435604266854098
Energy: 1.1189862662258354
Energy: 1.1435604266097044
Energy: 1.1324836116433628
Energy: 0.9729726031837749
Energy: 0.8966145250365881
Energy: 0.9729726031837749
Energy: 1.096574435923485
Energy: 1.4589647350382087
Energy: 0.896815138913535
Energy: 1.4589647350382087
Energy: 1.3640796608223307
Energy: 1.1952934856550796
Energy: 1.1711226951077083
Energy: 1.1952934856550796
Energy: 1.2908832268231059
Energy: 1.3844537084986948
Energy: 1.214579952825006
Energy: 1.3844537084986948
Energy: 1.1690229171708504
Energy: 1.437456209031
Energy: 1.1287687424693922
Energy: 1.437456209031
Energy: 1.0970054562562803
Energy: 1.1444118740273552
Energy: 1.118792336214655
Energy: 1.1444118740292966
Energy: 1.1315088215042752
Energy: 1.183436764466062
Energy: 0.8968759320999865
Energy: 1.183436764466062
Energy: 1.1177850940012677
Energy: 1.183369280644077
Energy: 0.8992672362709575
Energy: 1.183369280644077
Energy: 1.2908304445336807
Energy: 1.143585924043201
Energy: 1.1935737425072168
Energy: 1.143585924043201

minimum gb energy = 0.8966145250365881 eV
minimum distance =  2.27165456126576 Angstroms
sigma value = 9


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

Energy: 1.3169410683626717
Energy: 1.285936705198933
Energy: 1.380928928206969
Energy: 1.380727653790496
Energy: 1.2270117233292424
Energy: 1.2532800983384378
Energy: 1.4100555577978673
Energy: 1.253280098339156
Energy: 1.0086350610870969
Energy: 1.011421450522099
Energy: 1.2268038865881394
Energy: 1.011421450522099
Energy: 1.0119692963504967
Energy: 1.0399471417873447
Energy: 1.4027164706985407
Energy: 1.0399471417880632
Energy: 1.0103773207132807
Energy: 1.0084914487916135
Energy: 1.3759067932267315
Energy: 1.0084914487916135
Energy: 1.113283674444379
Energy: 1.2523156565045521
Energy: 1.3749943599120993
Energy: 1.2523156565045521
Energy: 1.4948276554093314
Energy: 1.3391437407611273
Energy: 1.3816099224773248
Energy: 1.3391437407611273
Energy: 1.4942934504049599
Energy: 1.3041376282149153
Energy: 1.3477957712680686
Energy: 1.3041376282156338
Energy: 1.096827352475556
Energy: 1.3495845673836186
Energy: 1.0565783274416738
Energy: 1.3495845673843372
Energy: 0.9767787023096101
Energy: 1.058981080702991
Energy: 1.2881901227707213
Energy: 1.0589811180576736
Energy: 1.136930514964225
Energy: 1.1385971255616005
Energy: 1.3577002357136412
Energy: 1.1385971255616005
Energy: 1.1642832587999075
Energy: 1.2198409243642556
Energy: 1.3215927188628154
Energy: 1.219840924364974
Energy: 1.4955373093389124
Energy: 1.1328838047855043
Energy: 1.2893942344880767
Energy: 1.1328838047855043
Energy: 1.4800799919324645
Energy: 1.1380456196121502
Energy: 1.1621691413287856
Energy: 1.1380456196128688
Energy: 1.2881439558116146
Energy: 1.1515678034164405
Energy: 1.0604628290688702
Energy: 1.1515678034178776
Energy: 1.1356799162716833
Energy: 1.335381892891273
Energy: 1.0939409087753085
Energy: 1.3353818928898362
Energy: 1.2990992757642235
Energy: 1.2935709612121733
Energy: 1.1936637050605239
Energy: 1.2935709611194923
Energy: 1.37972851185831
Energy: 1.3794945333212505
Energy: 1.3177148122764735
Energy: 1.3794945333219693
Energy: 1.3675841655410281
Energy: 1.3054542043630464
Energy: 1.2198447289645802
Energy: 1.3054542043630464
Energy: 1.2263488613114573
Energy: 1.01117607462707
Energy: 1.008591208254579
Energy: 1.0111760746292253
Energy: 1.4028884897399994
Energy: 1.0087433071642842
Energy: 1.0117941283638567
Energy: 1.008743307136983
Energy: 1.3775845570357363
Energy: 1.00836208582099
Energy: 1.008282043621419
Energy: 1.0083620858217084
Energy: 1.3761935613086524
Energy: 1.251440923697328
Energy: 1.0666313647144197
Energy: 1.2514409236980464
Energy: 1.3781053229426161
Energy: 1.3182846773549843
Energy: 1.4974848456990115
Energy: 1.3182846773549843
Energy: 1.3492232897155298
Energy: 1.303860629619332
Energy: 1.5009396047287302
Energy: 1.3038606296229245
Energy: 1.0585635180301818
Energy: 1.352265278502244
Energy: 1.106005198364442
Energy: 1.3522652785000886
Energy: 1.286978117090681
Energy: 1.122970219375502
Energy: 0.976685401428202
Energy: 1.1229702193776576
Energy: 1.474062714495822
Energy: 1.1327012862959924
Energy: 1.1377591888246839
Energy: 1.1327012862967112
Energy: 1.3191778504903608
Energy: 1.229928324438627
Energy: 1.1645884546354113
Energy: 1.2299283244379082
Energy: 1.268332378773175
Energy: 1.1320366429168691
Energy: 1.4119557517644177
Energy: 1.1320366429168691
Energy: 1.162347053671527
Energy: 1.139014472053822
Energy: 1.2290047860748656
Energy: 1.139014472053822
Energy: 1.1062744598918803
Energy: 1.1250472585579465
Energy: 1.2873488232199002
Energy: 1.1250472585579465
Energy: 1.0619971289232406
Energy: 1.1710974412717845
Energy: 1.1384119554038314
Energy: 1.1710974412732216
Energy: 1.1878710737794913
Energy: 1.3417766605220358
Energy: 1.2170301733455604
Energy: 1.3417766605227546
Energy: 1.319823356929912
Energy: 1.3800360570982866
Energy: 1.379438683079639
Energy: 1.3800360570997234

minimum gb energy = 0.976685401428202 eV
minimum distance =  2.28329874000523 Angstroms
sigma value = 73


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

Energy: 1.381547950851824
Energy: 1.2055069275118182
Energy: 1.295364073531336
Energy: 1.295135260830154
Energy: 1.379801893242434
Energy: 1.3392423616270765
Energy: 1.4555088531137803
Energy: 1.3392423616270765
Energy: 1.0433931148181133
Energy: 1.2474450264383736
Energy: 1.1820379712869526
Energy: 1.2474450264383736
Energy: 1.0736266404671453
Energy: 1.0817145097629048
Energy: 1.4205729893627494
Energy: 1.081714509761765
Energy: 1.0703531859752653
Energy: 1.0513397676912304
Energy: 1.4234924853600577
Energy: 1.0513397676923701
Energy: 1.1426392719320317
Energy: 1.2552174179247746
Energy: 1.4155074374778083
Energy: 1.2552174179259146
Energy: 1.6637444183415697
Energy: 1.4798870666340853
Energy: 1.3505047554841663
Energy: 1.4798870666340853
Energy: 1.5996251709185298
Energy: 1.2418313042614055
Energy: 1.3082047160625188
Energy: 1.2418313042614055
Energy: 1.1754932705294192
Energy: 1.297719774512507
Energy: 1.204405484095061
Energy: 1.297719774512507
Energy: 1.046204496298765
Energy: 1.2164422557734276
Energy: 1.2842641918217264
Energy: 1.2164422557734276
Energy: 1.1873505204102863
Energy: 1.0730831087175046
Energy: 1.2849242450267624
Energy: 1.0730831087175046
Energy: 1.1434125935616317
Energy: 1.0748859034957736
Energy: 1.2495979323452007
Energy: 1.0748859034969136
Energy: 1.2273701953372946
Energy: 1.1742383975991173
Energy: 1.1642689117599891
Energy: 1.1742383975979773
Energy: 1.1819057592714814
Energy: 1.2301222915729333
Energy: 1.1157805593387728
Energy: 1.2301222915717935
Energy: 1.2831563512092279
Energy: 1.2032954578447292
Energy: 1.0756411504750651
Energy: 1.2032954578447292
Energy: 1.3896004667929283
Energy: 1.3144464716899897
Energy: 1.1115900378327803
Energy: 1.3144464716899897
Energy: 1.3703095035661115
Energy: 1.2136334326280331
Energy: 1.157803763508688
Energy: 1.2136334326280331
Energy: 1.3165618575328668
Energy: 1.3536892901696036
Energy: 1.6601470652261638
Energy: 1.3536892901696036
Energy: 1.2245813107211918
Energy: 1.210909871521311
Energy: 1.4744533800260522
Energy: 1.210909871521311
Energy: 1.1286990750890202
Energy: 1.2213799734210997
Energy: 1.1638840937079353
Energy: 1.2213799734210997
Energy: 1.1723423439320093
Energy: 1.2137598780985297
Energy: 1.0469080958116304
Energy: 1.2137598780996692
Energy: 1.3827217951922972
Energy: 1.245699212103585
Energy: 1.2790333406712442
Energy: 1.245699212104699

minimum gb energy = 1.0433931148181133 eV
minimum distance =  2.27505634727266 Angstroms
sigma value = 7


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

Energy: 1.57600535680712
Energy: 1.1985023772922425
Energy: 1.3717935539797939
Energy: 1.3374088467750873
Energy: 1.3317058895130112
Energy: 1.1924438685368433
Energy: 1.3921289054357184
Energy: 1.1924438685376493
Energy: 1.0261867615344025
Energy: 1.2294328654843623
Energy: 1.0951304179674584
Energy: 1.2294328654803324
Energy: 1.0487869062252522
Energy: 1.0906717303713913
Energy: 1.3652623991349229
Energy: 1.090671730370585
Energy: 1.1103652404090447
Energy: 1.1088049422535724
Energy: 1.1949510633092135
Energy: 1.1088049422527664
Energy: 1.2800628301358106
Energy: 1.2025195017526318
Energy: 1.1895183174239092
Energy: 1.2025195017510195
Energy: 1.3887865305637663
Energy: 1.3373494929143135
Energy: 1.1614286797535849
Energy: 1.3373494929143135
Energy: 1.3612282145252936
Energy: 1.0979124319841747
Energy: 1.1355515353811023
Energy: 1.0979124319833686
Energy: 1.3505326624480207
Energy: 1.0257943148550277
Energy: 1.0255006982818025
Energy: 1.025794314855834
Energy: 1.1909642074642535
Energy: 1.2301880145106103
Energy: 1.0262531021673709
Energy: 1.2301880145106103
Energy: 1.4686096967403428
Energy: 1.2088365157747079
Energy: 1.2627389017662936
Energy: 1.2088365157707144
Energy: 1.3461844972550592
Energy: 1.2791915244362535
Energy: 1.383979787435073
Energy: 1.2791915244354477
Energy: 1.1346258245312548
Energy: 1.1216336241287046
Energy: 1.255836197052712
Energy: 1.1216336241303164
Energy: 1.0984227874649226
Energy: 1.0599679808766758
Energy: 1.0016894294961756
Energy: 1.0599679808759064
Energy: 1.2281042079533069
Energy: 1.2362796092203914
Energy: 1.0003929983494106
Energy: 1.2362796092195854
Energy: 1.579185664470995
Energy: 1.2782001324360595
Energy: 1.3469294892325196
Energy: 1.2782001324376717
Energy: 1.4954002002869626
Energy: 1.1942088335308836
Energy: 1.4731570535709797
Energy: 1.1942088335316896
Energy: 1.0262573273511453
Energy: 1.3931123147369935
Energy: 1.0936462006054033
Energy: 1.3931123147353814
Energy: 1.0237003732243217
Energy: 1.0256967571739972
Energy: 1.3509175422863495
Energy: 1.0256967571748035
Energy: 1.1079460868546187
Energy: 1.1079832757093706
Energy: 1.4442744061811876
Energy: 1.1079832757069523
Energy: 1.1244673391642144
Energy: 1.3371278104218918
Energy: 1.1935850268407922
Energy: 1.3371278104243098
Energy: 1.3941950679753294
Energy: 1.098101090581979
Energy: 1.2819324962618641
Energy: 1.0981010905835908
Energy: 1.3938834363064523
Energy: 1.1089029365915406
Energy: 1.1315947226687169
Energy: 1.1089029365907346
Energy: 1.35050708966769
Energy: 1.0904073797788396
Energy: 1.0280750355199224
Energy: 1.0904073797820637
Energy: 1.1927657664529436
Energy: 1.2289735617331046
Energy: 1.0260605756249301
Energy: 1.2289735617331046
Energy: 1.261640204663986
Energy: 1.192180560979974
Energy: 1.390141977507129
Energy: 1.1921805609969007
Energy: 1.3683101996165439
Energy: 1.3289249078513072
Energy: 1.3807650227877972
Energy: 1.3289249078593675
Energy: 1.2032402439579155
Energy: 1.1965224614007666
Energy: 1.2551234618420213
Energy: 1.1965224613959302
Energy: 1.0959910361027507
Energy: 1.187073570453637
Energy: 1.133788824486703
Energy: 1.1870735704552493
Energy: 1.1870526783489115
Energy: 1.163939929689107
Energy: 1.001435641345482
Energy: 1.163939929710064
Energy: 1.5313570815193445
Energy: 1.209713077045582
Energy: 1.2787644094711998
Energy: 1.20971307704397

minimum gb energy = 1.0003929983494106 eV
minimum distance =  2.24780561401198 Angstroms
sigma value = 29


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

Energy: 0.9049500874870663
Energy: 0.9065329544081503
Energy: 1.1733503230436129
Energy: 1.2386803645193512
Energy: 0.9088481179855907
Energy: 1.0165969501701704
Energy: 1.1321660087621663
Energy: 1.0165969501709815
Energy: 1.3359821821988926
Energy: 1.2406209688298868
Energy: 1.0910180503562206
Energy: 1.2406209688301366
Energy: 1.0990029179634067
Energy: 0.924776903689227
Energy: 1.1317954674396171
Energy: 0.924776903689227
Energy: 1.0999266560540473
Energy: 1.0982703751003478
Energy: 0.90897462868194
Energy: 1.0982703751006284
Energy: 1.1316883642053612
Energy: 1.1781507282763624
Energy: 0.9089136428790441
Energy: 1.1781507282766432
Energy: 0.9117432385915015
Energy: 0.9901628939624127
Energy: 1.3368181155966599
Energy: 0.9901628939626935
Energy: 1.1315903995839007
Energy: 0.9260020930019219
Energy: 0.9385793582214377
Energy: 0.9260020929997382
Energy: 0.9089350552397192
Energy: 0.9285711424088748
Energy: 1.0946796849875762
Energy: 0.9285711424088748

minimum gb energy = 0.9049500874870663 eV
minimum distance =  2.32207335666247 Angstroms
sigma value = 5


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

Energy: 1.2224649901320657
Energy: 0.9272192868876434
Energy: 1.249570022305562
Energy: 1.2072093305558613
Energy: 1.3012635488441218
Energy: 0.9360148739587179
Energy: 1.1015892842176653
Energy: 0.9360148739579564
Energy: 1.1035987693823268
Energy: 1.0045253206923572
Energy: 1.08874840491879
Energy: 1.004525320691596
Energy: 0.9462428230775417
Energy: 0.9338914715474909
Energy: 1.2669109760140151
Energy: 0.9338914715474909
Energy: 1.122322444141148
Energy: 0.9736194457841649
Energy: 1.4023505304585149
Energy: 0.9736194457834036
Energy: 0.9768536582742311
Energy: 0.9792761439702348
Energy: 1.3499967489294713
Energy: 0.9792761439702348
Energy: 0.9333321613114898
Energy: 0.93440184649346
Energy: 1.2737468610163707
Energy: 0.93440184649346
Energy: 0.9809286522846024
Energy: 0.9364635804764339
Energy: 1.227909072369432
Energy: 0.9364635804756726
Energy: 1.2743408943602528
Energy: 0.9822059631103763
Energy: 1.2804448252302822
Energy: 0.9822059631111376
Energy: 1.082662534190784
Energy: 0.9240833568598127
Energy: 1.1429646132962719
Energy: 0.9240833568598127
Energy: 1.2588726948084836
Energy: 0.9233301226144595
Energy: 0.9242395861686942
Energy: 0.9233301226152208
Energy: 1.2437530502266643
Energy: 0.963168247021291
Energy: 0.9682640638648596
Energy: 0.9631682470220525
Energy: 1.263037447353862
Energy: 1.1870402286329769
Energy: 1.1090651251996542
Energy: 1.1870402286329769
Energy: 1.253258259823109
Energy: 1.1852126005399608
Energy: 1.0979574637720064
Energy: 1.1852126005414838
Energy: 0.9395551178958443
Energy: 0.9354831177745314
Energy: 1.1008033641021622
Energy: 0.9354831177745314
Energy: 0.9380871883970241
Energy: 0.934835368672943
Energy: 1.3007710831074095
Energy: 0.934835368672943
Energy: 1.242844169312822
Energy: 1.2065148339300606
Energy: 1.5999629159630429
Energy: 1.2065148339300606
Energy: 1.1386222684811074
Energy: 0.9369214962926932
Energy: 1.3046911065137528
Energy: 0.9369214962934546
Energy: 1.0868884321934686
Energy: 1.006600321586959
Energy: 1.1393608085869833
Energy: 1.0066003215861974
Energy: 1.102579752563439
Energy: 0.9341503188288537
Energy: 0.9437449370587716
Energy: 0.9341503188151485
Energy: 1.3502019903928657
Energy: 0.9789759069315936
Energy: 1.1218646203738223
Energy: 0.9789759069323549
Energy: 1.4253040790247973
Energy: 0.9957901859604006
Energy: 1.1108725880591435
Energy: 0.9957901859596392
Energy: 1.2754422437583233
Energy: 0.9346030130572652
Energy: 0.9346667376559774
Energy: 0.9346030130572652
Energy: 1.246653998211066
Energy: 0.9351757136608158
Energy: 0.9398167415728046
Energy: 0.9351757136653496
Energy: 1.246039850178706
Energy: 0.9819460413444722
Energy: 1.2750966313910341
Energy: 0.9819460413444722
Energy: 1.1450688716948965
Energy: 0.9250543425397036
Energy: 1.0824975440157247
Energy: 0.9250543425389424
Energy: 0.9253336528996889
Energy: 0.9603075054293937
Energy: 1.2585543672246169
Energy: 0.9603075054301551
Energy: 0.9650127424028349
Energy: 0.962123443756226
Energy: 1.2165498511883672
Energy: 0.9621234437554647
Energy: 1.1086268010589466
Energy: 0.9231238963448429
Energy: 1.2258293170875476
Energy: 0.9231238963448429
Energy: 1.0988678131633485
Energy: 1.1855104978479893
Energy: 1.2186216602099638
Energy: 1.1855104978479893
Energy: 1.097446005422812
Energy: 0.9364831694715555
Energy: 0.9363146422176071
Energy: 0.9364831694715555
Energy: 1.261600239000924
Energy: 0.9352883065901413
Energy: 0.9357717105052085
Energy: 0.9352883065909026
Energy: 1.602299024467815
Energy: 0.9343355664180585
Energy: 1.1005375425363177
Energy: 0.9343355664195812

minimum gb energy = 0.9231238963448429 eV
minimum distance =  2.29035286495182 Angstroms
sigma value = 1


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

Energy: 1.2949276889675103
Energy: 0.8948032608073035
Energy: 1.206436797828942
Energy: 1.2051131408540257
Energy: 1.2051572175450171
Energy: 0.8976658666883652
Energy: 1.1151625088135826
Energy: 0.8976658666894181
Energy: 1.1156007444138987
Energy: 1.146322667953592
Energy: 1.1126994412498494
Energy: 1.1463226679546208
Energy: 0.9082591027315569
Energy: 0.8952891848803313
Energy: 1.3167123228203128
Energy: 0.8952891848803313
Energy: 0.9772601232431983
Energy: 0.9539266667784615
Energy: 1.4062500066713837
Energy: 0.9539266667784615
Energy: 0.9537891651631012
Energy: 0.906021736917925
Energy: 1.4071379307330443
Energy: 0.9060217369158197
Energy: 0.8933532586832754
Energy: 0.8950008330064213
Energy: 1.2616646451946651
Energy: 0.895000833007474
Energy: 0.8985183533336074
Energy: 0.8993712582546961
Energy: 1.3014656651172898
Energy: 0.8993712582568014
Energy: 1.2968559392664165
Energy: 0.9616010490348712
Energy: 1.3062111696894698
Energy: 0.9616010490348712
Energy: 1.1008528038321392
Energy: 0.9004868673296147
Energy: 1.0616053438628446
Energy: 0.9004868673296147
Energy: 1.2609481252021237
Energy: 0.9008303797505011
Energy: 0.893967699333555
Energy: 0.9008303797505011
Energy: 1.3042352733941234
Energy: 0.8976447821093042
Energy: 0.9552537287710656
Energy: 0.8976447821082515
Energy: 1.2992862091755424
Energy: 0.8961650842178798
Energy: 0.9757310858744779
Energy: 0.8961650842178798
Energy: 1.2725877843487143
Energy: 0.8954722346486903
Energy: 1.1122903896493728
Energy: 0.8954722346476376
Energy: 0.910748510136859
Energy: 1.1448676844662924
Energy: 1.1146495736052773
Energy: 1.1448676844673453
Energy: 0.9074676705279234
Energy: 0.8966843284630029
Energy: 1.3050559799650965
Energy: 0.8966843284640318
Energy: 0.9762495144429427
Energy: 0.97722472861129
Energy: 1.5596360416529245
Energy: 0.9772247286081317
Energy: 0.9586748003225176
Energy: 0.8985924276397276
Energy: 1.405990848518234
Energy: 0.8985924276397276
Energy: 0.9516758235566061
Energy: 0.8976008969452831
Energy: 1.3072383197632165
Energy: 0.8976008969463358
Energy: 1.063372685042774
Energy: 0.8979551987476997
Energy: 1.3002748810587843
Energy: 0.8979551987487524
Energy: 1.1107126925584014
Energy: 0.9631337074095054
Energy: 1.2947658749852429
Energy: 0.9631337074095054
Energy: 1.123828973624685
Energy: 0.9000711256818037
Energy: 0.8980449309818509
Energy: 0.9000711256818037
Energy: 1.2637973144281667
Energy: 0.895316779305371
Energy: 0.8952398048672112
Energy: 0.895316779305371
Energy: 1.2996777401968154
Energy: 0.8967379842497648
Energy: 0.8948410897651234
Energy: 0.8967379842487121

minimum gb energy = 0.8933532586832754 eV
minimum distance =  2.30446152804873 Angstroms
sigma value = 17


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

Energy: 1.3775804750983933
Energy: 0.8840977131658659
Energy: 1.214191551960654
Energy: 0.9302445429135714
Energy: 1.4444008083967748
Energy: 0.8868342746732975
Energy: 1.0318830564037313
Energy: 0.8868342746759004
Energy: 1.157827022340865
Energy: 0.8851598435226498
Energy: 1.0329842518163663
Energy: 0.8851598435187457
Energy: 1.1312789208658516
Energy: 0.8763587058380542
Energy: 1.1182526530000112
Energy: 0.8763587058380542
Energy: 1.0281283043636795
Energy: 0.8761610653298487
Energy: 1.272750080492199
Energy: 0.87616106533115
Energy: 0.8982243716174813
Energy: 0.8950701813430921
Energy: 1.4213800512666162
Energy: 0.8950701813430921
Energy: 0.8767346238367169
Energy: 0.8756283953007004
Energy: 1.2846486748455304
Energy: 0.8756283953007004
Energy: 0.880740066252277
Energy: 0.8780533535276477
Energy: 1.3810392361993198
Energy: 0.8780533535289491
Energy: 1.2496463409225544
Energy: 0.8784449608328625
Energy: 1.2896756929896735
Energy: 0.8784449608315611
Energy: 1.0098712705714619
Energy: 0.8890946705672035
Energy: 1.036559222210101
Energy: 0.8890946705685049
Energy: 1.3251999363344482
Energy: 0.9398296330744659
Energy: 0.8915356913432086
Energy: 0.9398296330913836
Energy: 1.431714284160294
Energy: 0.9066946204549177
Energy: 1.0675835767962083
Energy: 0.906694620454267
Energy: 1.5508668222453554
Energy: 0.9260478869933043
Energy: 0.9494736549999404
Energy: 0.9260478869946056
Energy: 1.3460888052000248
Energy: 0.8853846227348731
Energy: 0.8871608245385001
Energy: 0.8853846227348731
Energy: 1.1658039867470553
Energy: 0.8877684541633163
Energy: 0.8901151492500821
Energy: 0.8877684541652683
Energy: 1.3552268585522012
Energy: 0.926578489171986
Energy: 1.2919771946999061
Energy: 0.9265784891726367
Energy: 0.888339016026988
Energy: 0.8901308798636253
Energy: 1.2542118329104324
Energy: 0.8901308798642759
Energy: 0.888622376096404
Energy: 0.8863920607308808
Energy: 1.3223339103978085
Energy: 0.8863920607308808
Energy: 0.8947547055242917
Energy: 0.8879129775889902
Energy: 1.4769357392619218
Energy: 0.8879129775896409
Energy: 0.9603918697984427
Energy: 0.9372321515949739
Energy: 1.3781863985558618
Energy: 0.9372321515923712
Energy: 1.030071049615308
Energy: 0.8869247093205421
Energy: 1.4293573767230507
Energy: 0.8869247093205421
Energy: 1.028526378137546
Energy: 1.127529500249753
Energy: 1.1559633760709929
Energy: 1.127529500249753
Energy: 1.1764375239447284
Energy: 0.8756311408201585
Energy: 1.1550876665874004
Energy: 0.8756311408201585
Energy: 1.2713963659041405
Energy: 0.8766469088532792
Energy: 1.0284482158885886
Energy: 0.8766469088513271
Energy: 1.4176879129708257
Energy: 0.8795960781198775
Energy: 0.8950046180972714
Energy: 0.8795960781198775
Energy: 1.2870331052684356
Energy: 0.8771981318916565
Energy: 0.8791625586052897
Energy: 0.8771981318923072
Energy: 1.3796134105009978
Energy: 0.87863200141414
Energy: 0.8837557731655291
Energy: 0.8786320014212975
Energy: 1.2856759219339269
Energy: 0.8771951673621727
Energy: 1.2492461505163388
Energy: 0.8771951673608713
Energy: 1.0334967384107938
Energy: 1.1266056024419253
Energy: 1.0120941101538532
Energy: 1.1266056024412745
Energy: 0.8928659341231069
Energy: 0.8849205559336287
Energy: 1.3278917732462288
Energy: 0.8849205559323274
Energy: 1.0667402860459878
Energy: 0.9249778998843553
Energy: 1.50860029783896
Energy: 0.9249778998837046
Energy: 0.951647159209774
Energy: 0.9255385315722039
Energy: 1.4811666368469356
Energy: 0.9255385315702519
Energy: 0.8851406981919173
Energy: 0.8852338839285576
Energy: 1.3217936387238731
Energy: 0.885233883929859
Energy: 0.8934768004036715
Energy: 0.8871997647122056
Energy: 1.1318866194451642
Energy: 0.8871997647148083
Energy: 1.2923634080890458
Energy: 0.9254455450002084
Energy: 1.353119698529537
Energy: 0.9254455449989071
Energy: 1.2536393741307796
Energy: 0.8892241235788139
Energy: 0.8867788426423762
Energy: 0.8892241235788139
Energy: 1.321264064098583
Energy: 0.8852535040076169
Energy: 0.8858037251922091
Energy: 0.8852535040069662
Energy: 1.479243191347749
Energy: 0.8888461913642195
Energy: 0.9329714215861614
Energy: 0.888846191365521

minimum gb energy = 0.8756283953007004 eV
minimum distance =  2.29692854362276 Angstroms
sigma value = 89


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

Energy: 1.4478410318446533
Energy: 0.8400991998552466
Energy: 0.8112690940880176
Energy: 0.8098762858803571
Energy: 1.3461456246813248
Energy: 1.1566794845177673
Energy: 1.0798983523587027
Energy: 1.1566794845177673
Energy: 0.8008914630339284
Energy: 0.8928810181400583
Energy: 1.087259833867232
Energy: 0.8928810181400583
Energy: 0.8016646864067251
Energy: 1.084039455710852
Energy: 1.089268093448168
Energy: 1.084039455710852
Energy: 0.8656407512837092
Energy: 0.8082254785970542
Energy: 1.1208440742538954
Energy: 0.8082254785970542
Energy: 0.810229289783972
Energy: 0.8118076419195291
Energy: 1.1235881996893444
Energy: 0.8118076419195291
Energy: 0.8060166016652949
Energy: 0.8065265287349264
Energy: 1.0895357507515944
Energy: 0.8065265287349264
Energy: 0.8101916352442463
Energy: 0.8107576174076433
Energy: 1.4507654469634985
Energy: 0.8107576174076433
Energy: 1.078627449535774
Energy: 1.1583006784632037
Energy: 1.3481002541091616
Energy: 1.1583006784632037
Energy: 1.1338546622323318
Energy: 0.8946322680730808
Energy: 1.089870602074576
Energy: 0.8946322680730808
Energy: 1.0893527897946913
Energy: 0.8965877265396014
Energy: 0.7994204104624536
Energy: 0.8965877265396014
Energy: 1.1244226987873636
Energy: 1.0859195999449531
Energy: 0.8688285522845768
Energy: 1.0859195999466553
Energy: 1.1240018032777752
Energy: 0.809211263492902
Energy: 0.8098324009012312
Energy: 0.809211263492902
Energy: 1.3525988419494597
Energy: 0.8064739321820547
Energy: 0.8049735498196856
Energy: 0.8064739321820547
Energy: 1.3458585560629335
Energy: 0.8087836829651717
Energy: 0.8093684903972035
Energy: 0.8087836829651717

minimum gb energy = 0.7994204104624536 eV
minimum distance =  2.31748444015365 Angstroms
sigma value = 13


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

Energy: 1.2816956618222861
Energy: 0.7863871200890529
Energy: 1.1324740656214352
Energy: 0.7761258109801039
Energy: 1.3930688537111673
Energy: 0.7755505956206465
Energy: 0.9258819175703181
Energy: 0.7755505956185058
Energy: 1.2830594573482819
Energy: 0.7717650651013362
Energy: 0.9199382954992337
Energy: 0.7717650651213166
Energy: 1.0121732060056667
Energy: 0.8335940303149181
Energy: 1.103780702808395
Energy: 0.8335940303170587
Energy: 1.1828481359255791
Energy: 0.8313877095124772
Energy: 1.1805859936571854
Energy: 0.8313877095153316
Energy: 0.923785867717175
Energy: 1.0515105440439265
Energy: 1.1746337141778358
Energy: 1.0515105440446404
Energy: 0.9228192022714501
Energy: 0.7739368043600751
Energy: 1.4210590826022507
Energy: 0.7739368043600751
Energy: 0.9340292676108213
Energy: 0.9278632966932997
Energy: 1.4426899276181449
Energy: 0.9278632966940132
Energy: 0.7824644034683521
Energy: 0.7751027148706525
Energy: 1.414525795468861
Energy: 0.7751027148713661
Energy: 0.7746989296793984
Energy: 0.7729749912081834
Energy: 1.4135292233809673
Energy: 0.7729749912096107
Energy: 0.772484166541528
Energy: 0.7788084782847678
Energy: 1.2822109831174902
Energy: 0.7788084782840543
Energy: 1.1744996913923298
Energy: 1.0858956030954934
Energy: 1.4140347994785027
Energy: 1.085895603094066
Energy: 1.177634201785955
Energy: 1.049596965685818
Energy: 1.1692188946040656
Energy: 1.0495969656851043
Energy: 1.2398385690836624
Energy: 0.7717870834879891
Energy: 1.013363226984321
Energy: 0.7717870834887026
Energy: 1.3823300274899497
Energy: 0.7744768607827283
Energy: 1.1519382027216714
Energy: 0.7744768607798739
Energy: 1.3805168850757148
Energy: 0.7750590561082085
Energy: 0.7823849888780342
Energy: 0.7750590561060678
Energy: 1.3181270212086709
Energy: 0.7734933280185521
Energy: 0.7750745763864876
Energy: 0.7734933280185521
Energy: 1.2833057261199434
Energy: 0.797296790055456
Energy: 0.792621923589995
Energy: 0.797296790053315
Energy: 1.4346560275035134
Energy: 0.774583606187214
Energy: 0.9431212440492184
Energy: 0.7745836061857868
Energy: 1.3600647868633735
Energy: 0.7711763668365677
Energy: 0.894018219100523
Energy: 0.7711763668372813
Energy: 1.010249227714087
Energy: 0.7775636219780918
Energy: 0.937577133790737
Energy: 0.7775636219752375
Energy: 1.2681505354843263
Energy: 1.0993686085136982
Energy: 1.1730011128325333
Energy: 1.0993686085115575
Energy: 0.9258176974503426
Energy: 1.0509850937727288
Energy: 1.180702285730159
Energy: 1.050985093774156
Energy: 0.7742133476925811
Energy: 0.771617772811487
Energy: 1.417000177842476
Energy: 0.7716177728093462
Energy: 0.9284624525593673
Energy: 0.7946591770279096
Energy: 1.3828278328294679
Energy: 0.7946591770271961
Energy: 0.7886219312351392
Energy: 0.7936471468673252
Energy: 1.3793615648530742
Energy: 0.7936471468687525
Energy: 0.7724182736355903
Energy: 0.7725752688063373
Energy: 1.4104604590433165
Energy: 0.7725752688077646
Energy: 0.7722699133829444
Energy: 0.7763092030206709
Energy: 1.2845741774661852
Energy: 0.7763092030206709
Energy: 1.1686670229023801
Energy: 1.0861759669040634
Energy: 1.434730521876053
Energy: 1.086175966902636
Energy: 0.8928693732257135
Energy: 1.0499035014967515
Energy: 1.1713397923546476
Energy: 1.0499035014981786
Energy: 1.233122627978895
Energy: 0.830455193329927
Energy: 1.0113192738260943
Energy: 0.8304551933306408
Energy: 1.3796020851534985
Energy: 0.7749281878782122
Energy: 1.1725159499885356
Energy: 0.7749281878746442
Energy: 1.382459242580247
Energy: 0.7744119992608293
Energy: 0.7724494741157911
Energy: 0.7744119992622563
Energy: 1.4114708608053421
Energy: 0.7718866433914107
Energy: 0.7726286409989499
Energy: 0.7718866433921242
Energy: 1.4762959970404819
Energy: 0.773538504602805
Energy: 0.8066822079415734
Energy: 0.7735385045999508

minimum gb energy = 0.7711763668365677 eV
minimum distance =  2.30850176528141 Angstroms
sigma value = 37


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

Energy: 1.2515201629570751
Energy: 0.764171553801965
Energy: 0.7359284685633974
Energy: 0.7359394447281649
Energy: 1.5241133804657525
Energy: 0.7227212191491627
Energy: 0.9553414128122104
Energy: 0.7227212191503902
Energy: 1.239783866042883
Energy: 1.023446782329893
Energy: 0.958973570121043
Energy: 1.0234467823286655
Energy: 1.2577656491496865
Energy: 0.8137177917808975
Energy: 1.127393338516229
Energy: 0.8137177917980574
Energy: 1.1772855273426441
Energy: 0.8133791312281867
Energy: 1.0129486729857107
Energy: 0.8133791312294144
Energy: 0.9364661102509737
Energy: 0.9334093661822539
Energy: 1.1868211263776176
Energy: 0.9334093661822539
Energy: 0.8105051379446676
Energy: 0.9320528525339696
Energy: 1.3700814131669028
Energy: 0.9320528525339696
Energy: 0.9788308711515253
Energy: 0.7163779004860998
Energy: 1.5287433120507579
Energy: 0.7163779004860998
Energy: 0.8107726149445382
Energy: 0.7174247580422235
Energy: 1.3756534416025357
Energy: 0.7174247580422235
Energy: 0.8169567335105766
Energy: 0.7010611173568718
Energy: 1.4424929835942177
Energy: 0.7010611173568718
Energy: 0.8889988115052117
Energy: 0.8901012754529786
Energy: 1.115449323172866
Energy: 0.8901012754529786
Energy: 1.0435365259460605
Energy: 0.7009573964654233
Energy: 1.4426618630499142
Energy: 0.7009573964654233
Energy: 1.0518840170243708
Energy: 1.0176618907003045
Energy: 1.2393923486563923
Energy: 1.0176618907003045
Energy: 1.2234201280564234
Energy: 0.8076744653932
Energy: 1.2581960647467492
Energy: 0.8076744653944278
Energy: 1.0129486729857107
Energy: 0.9635151757763672
Energy: 1.2269740196860317
Energy: 0.9635151757763672
Energy: 1.1868211263776176
Energy: 0.9679355043225409
Energy: 0.9498220048001198
Energy: 0.9679355043213131
Energy: 1.304367672999223
Energy: 0.7224528785597076
Energy: 0.8056615665470528
Energy: 0.7224528785597076
Energy: 1.5287433120507579
Energy: 0.7236595332643806
Energy: 0.8981713021604875
Energy: 0.7236595333085498
Energy: 1.3756534416025357
Energy: 0.7258189533305388
Energy: 0.7235796455289417
Energy: 0.7258189533317666
Energy: 1.5201317253252422
Energy: 0.7237838235771313
Energy: 0.7233117530315121
Energy: 0.7237838235771313

minimum gb energy = 0.7009573964654233 eV
minimum distance =  2.29943045392125 Angstroms
sigma value = 25


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

Energy: 1.332530789448002
Energy: 0.6674118859607677
Energy: 0.6358093691569061
Energy: 0.6342044554467953
Energy: 1.495737852825276
Energy: 0.6300565626038008
Energy: 0.8178558531118594
Energy: 0.6300565626047595
Energy: 1.2459016863471348
Energy: 0.6312457431970996
Energy: 0.8158254211662178
Energy: 0.6312457431970996
Energy: 0.938675111970389
Energy: 0.6300976520654109
Energy: 1.1288646301379923
Energy: 0.6300976520596588
Energy: 1.2565005819985706
Energy: 0.9212599680961014
Energy: 1.1323059172264152
Energy: 0.9212599680961014
Energy: 0.9979640865788737
Energy: 0.6994099263944425
Energy: 1.1295991785987534
Energy: 0.6994099263963599
Energy: 0.9914771693575706
Energy: 0.9211531640366002
Energy: 1.2555784666471246
Energy: 0.9211531640366002
Energy: 1.022178318222538
Energy: 0.6299905648169944
Energy: 1.137496860691107
Energy: 0.6299905648160357
Energy: 0.8230373722245606
Energy: 0.631308137898601
Energy: 1.374248780720623
Energy: 0.631308137898601
Energy: 0.8243070419841502
Energy: 0.6303854670608073
Energy: 1.2567350217351996
Energy: 0.6303854670608073
Energy: 0.6305789290464028
Energy: 0.630419583981039
Energy: 1.1342110492254214
Energy: 0.6304195839819978
Energy: 0.6338580271439984
Energy: 0.6301965826720999
Energy: 1.3730463997665776
Energy: 0.6301965826720999
Energy: 0.6299037701270211
Energy: 0.632357825202751
Energy: 1.4986538741704662
Energy: 0.6323578252017924
Energy: 0.8202180447635538
Energy: 0.6366539853944572
Energy: 1.3345564847276965
Energy: 0.6366539853944572
Energy: 0.8168461590871595
Energy: 0.6293015095072456
Energy: 1.2548267115884335
Energy: 0.6293015095072456
Energy: 0.8192975117188035
Energy: 0.6316153385471224
Energy: 1.2485282524795067
Energy: 0.6316153385490396
Energy: 1.1336575993198559
Energy: 0.9261317011248773
Energy: 1.2527201298952981
Energy: 0.9261317011248773
Energy: 0.7838989307006355
Energy: 0.9222630402960351
Energy: 1.253598857210667
Energy: 0.9222630402969937
Energy: 1.1296457970625955
Energy: 0.7011467699769593
Energy: 0.9963766260620621
Energy: 0.7011467699769593
Energy: 1.372266198946824
Energy: 0.900197302811172
Energy: 0.9971552279475931
Energy: 0.900197302811172
Energy: 1.1357905263228443
Energy: 0.6310120245050909
Energy: 0.8233085350408494
Energy: 0.6310119742593898
Energy: 1.3734252956237873
Energy: 0.6306187561121096
Energy: 0.6302080151155794
Energy: 0.6306187560938947
Energy: 1.372675573870815
Energy: 0.6321896779647427
Energy: 0.8274738064411484
Energy: 0.6321896779647427
Energy: 1.1368894639897156
Energy: 0.6295701310873071
Energy: 0.6302053035547324
Energy: 0.6295701310863484
Energy: 1.5157711543188255
Energy: 0.6289905502057815
Energy: 0.6299057932466225
Energy: 0.6289905502057815
Energy: 1.2473432761968841
Energy: 0.6312812164655289
Energy: 0.6303388840425003
Energy: 0.6312812164655289

minimum gb energy = 0.6289905502057815 eV
minimum distance =  2.3116447588096 Angstroms
sigma value = 41


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

Energy: 1.4686687242914014
Energy: 0.6041148438388131
Energy: 0.5807835661395249
Energy: 0.5796566137217457
Energy: 1.538534498698999
Energy: 0.5728905457477544
Energy: 0.7303703743247005
Energy: 0.5728905457477544
Energy: 1.3124276240161459
Energy: 0.574480453120432
Energy: 0.701577437270054
Energy: 0.5744804531259338
Energy: 1.133293824345703
Energy: 0.5748173341178595
Energy: 1.0088541916026965
Energy: 0.5748173341155017
Energy: 1.3185360284027972
Energy: 0.8241430925416956
Energy: 0.990886394747152
Energy: 0.8241430925409097
Energy: 1.0963451618257527
Energy: 0.8289286151058972
Energy: 0.989713545816154
Energy: 0.8289286151074691
Energy: 1.1014040324849015
Energy: 1.0251915839085952
Energy: 1.2090593786404822
Energy: 1.0251915839085952
Energy: 1.1074910929665704
Energy: 1.0272305936276978
Energy: 0.9772940396989678
Energy: 1.0272305936269115
Energy: 0.8259013000638561
Energy: 1.0178763030845355
Energy: 1.2048442813499909
Energy: 1.0178763030845355
Energy: 0.8762495932791359
Energy: 0.824020521984684
Energy: 1.4196786199499658
Energy: 0.8240205219838981
Energy: 0.7006829346117855
Energy: 0.5736146851265246
Energy: 1.301013716973976
Energy: 0.5736146851273106
Energy: 0.6970520725552602
Energy: 0.5738567194145839
Energy: 1.4206683193348284
Energy: 0.5738567194145839
Energy: 0.7425523568955132
Energy: 0.5747750724856193
Energy: 1.4215255819488677
Energy: 0.5747750724910853
Energy: 0.572629275054936
Energy: 0.5791136072465943
Energy: 1.3011920418496261
Energy: 0.5791136072473803
Energy: 0.574275209855036
Energy: 0.5731495771164394
Energy: 1.3197888881652158
Energy: 0.5731495771156535
Energy: 0.5720494397734268
Energy: 0.5763626555356053
Energy: 1.3146653206981362
Energy: 0.5763626555363912
Energy: 0.7366716307542457
Energy: 0.5762401171342104
Energy: 1.3191357372717658
Energy: 0.5762401171342104
Energy: 0.6961162201870913
Energy: 0.5724107684787693
Energy: 1.317359492385717
Energy: 0.5724107684779832
Energy: 0.7340928906957191
Energy: 0.5780128662606714
Energy: 1.1256578979955643
Energy: 0.5780128662606714
Energy: 1.001828581595858
Energy: 0.8267030448760678
Energy: 1.12467084753467
Energy: 0.8267030448768538
Energy: 0.9770286099848529
Energy: 0.8310524338638147
Energy: 1.209154621679271
Energy: 0.8310524338622427
Energy: 0.9930865437866202
Energy: 0.8298358342023112
Energy: 1.1177262288312282
Energy: 0.8298358342015253
Energy: 1.2052510607185627
Energy: 1.0641100511583854
Energy: 1.0958996407003294
Energy: 1.0641100511583854
Energy: 0.9774288269569822
Energy: 0.8305929920265251
Energy: 0.9940545700207319
Energy: 0.8305929920272752
Energy: 1.210968533500599
Energy: 1.022074217559938
Energy: 0.8192842596299486
Energy: 1.0220742175607236
Energy: 1.206394121641194
Energy: 0.5731185411499963
Energy: 0.9906475696306325
Energy: 0.5731185411460665
Energy: 1.2090449067673221
Energy: 0.5754594801627019
Energy: 0.743755079505963
Energy: 0.5754594801627019
Energy: 1.4248885840005814
Energy: 0.5736774873513634
Energy: 0.695233482949676
Energy: 0.5736774873505772
Energy: 1.2228390933283557
Energy: 0.5788779030081205
Energy: 0.7519828230171782
Energy: 0.5788779030112642
Energy: 1.219948038611443
Energy: 0.5770096675848201
Energy: 0.571911057987021
Energy: 0.577009667587178
Energy: 1.4214293796133621
Energy: 0.5724167013190937
Energy: 0.5735966433954086
Energy: 0.5724167013206656
Energy: 1.3983506544834101
Energy: 0.5785884798444362
Energy: 0.5721602521583369
Energy: 0.5785884798444362

minimum gb energy = 0.571911057987021 eV
minimum distance =  2.31575405067357 Angstroms
sigma value = 15


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

Energy: 1.269657289171902
Energy: 0.5542921223454169
Energy: 0.5354744517706707
Energy: 0.5348519801261902
Energy: 1.4629585705659338
Energy: 0.5284038314916535
Energy: 0.6374618295706441
Energy: 0.5284038314929851
Energy: 1.359485181887272
Energy: 0.5297601300839346
Energy: 0.6379063039449518
Energy: 0.529760130082603
Energy: 1.2713226236124433
Energy: 0.5314397230444048
Energy: 0.8960498519330431
Energy: 0.5314397230529997
Energy: 1.365603152703275
Energy: 0.7482900784260299
Energy: 0.8694444594650441
Energy: 0.7482900784260299
Energy: 1.1692285901256319
Energy: 0.7562871800532428
Energy: 0.8858236335753641
Energy: 0.7562871800519112
Energy: 0.9996510460288177
Energy: 0.7554583965765732
Energy: 1.0822883747751137
Energy: 0.7554583965765732
Energy: 1.1803372892346078
Energy: 0.9741571380744762
Energy: 0.864455004172183
Energy: 0.9741571380738103
Energy: 0.9813904543255719
Energy: 0.9661830848682763
Energy: 1.0756748761777286
Energy: 0.9661830848689421
Energy: 0.9806266671113238
Energy: 0.9719939958918589
Energy: 1.2644087747646136
Energy: 0.9719939958918589
Energy: 0.8765362355160531
Energy: 0.7556018570334758
Energy: 1.1318482945936235
Energy: 0.75560185703281
Energy: 0.7362672133848069
Energy: 0.9256610587356698
Energy: 1.2642487082315963
Energy: 0.9256610587343382
Energy: 0.8871862549894335
Energy: 0.7500110882194176
Energy: 1.263568886236808
Energy: 0.7500110882160888
Energy: 0.6673239008431864
Energy: 0.5312370992827155
Energy: 1.132858158554627
Energy: 0.5312370992833813
Energy: 0.631926464283193
Energy: 0.5304804416302876
Energy: 1.4525319954318159
Energy: 0.5304804416242953
Energy: 0.6777458311902389
Energy: 0.5313019380322553
Energy: 1.2661615871695298
Energy: 0.531301938037582
Energy: 0.5450035494345394
Energy: 0.5335510885864245
Energy: 1.271609969632064
Energy: 0.533551088584427
Energy: 0.5270649477000682
Energy: 0.5280262059625858
Energy: 1.456395362448087
Energy: 0.5280262059619805
Energy: 0.5426641289091925
Energy: 0.5312509855529545
Energy: 1.2103733564812393
Energy: 0.5312509855522887
Energy: 0.6488099974325904
Energy: 0.5318594899555618
Energy: 1.3644777117591103
Energy: 0.53185948995423
Energy: 0.6295147048592734
Energy: 0.5289420724992574
Energy: 1.3663857095905085
Energy: 0.5289420725025259
Energy: 0.6521409670399313
Energy: 0.5347621420790658
Energy: 1.1772765276193082
Energy: 0.5347621420790658
Energy: 0.8970345460021517
Energy: 0.7489131580641044
Energy: 1.1681054588436983
Energy: 0.748913158065436
Energy: 0.8655785441882928
Energy: 0.7509741598471004
Energy: 1.267252023221462
Energy: 0.7509741598471004
Energy: 0.9042270021896468
Energy: 0.7535908037639691
Energy: 0.9936181910890085
Energy: 0.7535908037639691
Energy: 1.0756555200952038
Energy: 0.9696114390969243
Energy: 1.2662253826585523
Energy: 0.9696114390969243
Energy: 0.8695792508104717
Energy: 0.9681978039992104
Energy: 1.0775224124756289
Energy: 0.9681978039992104
Energy: 1.0881127155280448
Energy: 0.9754484280057295
Energy: 0.9939049893544937
Energy: 0.9754484280057295
Energy: 1.0789361741402808
Energy: 0.7484340874623748
Energy: 1.0804292519655254
Energy: 0.7484340874670355
Energy: 1.0761150470679905
Energy: 0.7496369804074431
Energy: 0.8652448305372602
Energy: 0.7496369804067773
Energy: 1.2734142464983507
Energy: 0.7477932610064504
Energy: 0.7357040082976065
Energy: 0.7477932610210983
Energy: 1.1335169441700343
Energy: 0.5299535337555369
Energy: 0.9065982409855586
Energy: 0.5299535337562028
Energy: 1.2649251854820105
Energy: 0.5314354158175161
Energy: 0.6374236705179591
Energy: 0.5314354158161845
Energy: 1.3675804969970695
Energy: 0.5285869510890099
Energy: 0.6539993797341056
Energy: 0.5285869510876782
Energy: 1.4153055840906419
Energy: 0.5375693230030747
Energy: 0.6586394731683033
Energy: 0.5375693230044063
Energy: 1.4516723210011624
Energy: 0.5290320356344862
Energy: 0.533419026616919
Energy: 0.5290320356358179
Energy: 1.3576264713483612
Energy: 0.5295705163897155
Energy: 0.5326475507169731
Energy: 0.5295705163890497

minimum gb energy = 0.5270649477000682 eV
minimum distance =  2.31443748427038 Angstroms
sigma value = 85


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

Energy: 1.3571473849415798
Energy: 0.5225770770970184
Energy: 0.47587535484403193
Energy: 0.4761225267140043
Energy: 1.4621133021532278
Energy: 0.47710543615499074
Energy: 0.5721180778170045
Energy: 0.47710543615499074
Energy: 1.210149687999882
Energy: 0.4776368420499351
Energy: 0.5653831223388308
Energy: 0.4776368420505126
Energy: 1.1128002469605447
Energy: 0.47676093705052086
Energy: 0.7992283396824585
Energy: 0.47676093705283074
Energy: 1.3828355533006287
Energy: 0.6741140383231202
Energy: 0.7965653450342246
Energy: 0.6741140383231202
Energy: 1.0397876902600163
Energy: 0.6750350360340406
Energy: 0.801061958626403
Energy: 0.6750350360340406
Energy: 1.0455144258942006
Energy: 0.4770097850656761
Energy: 0.9592711053610261
Energy: 0.47700978288326473
Energy: 1.2179543353891416
Energy: 0.8774874829455116
Energy: 0.7654795089124912
Energy: 0.8774874829449342
Energy: 1.0435741995624652
Energy: 0.8830054396842728
Energy: 0.961220410503081
Energy: 0.8830054396842728
Energy: 1.042557132250368
Energy: 0.8967569064487764
Energy: 1.1277902862397833
Energy: 0.8967569064487764
Energy: 0.9675300281265791
Energy: 0.8651174659833635
Energy: 0.9955782486878529
Energy: 0.8651174659833635
Energy: 0.8906861563074037
Energy: 0.8782883368134755
Energy: 1.128470095981587
Energy: 0.8782883368128981
Energy: 0.9590941760201465
Energy: 0.8793707743305179
Energy: 1.126295625446762
Energy: 0.8793707743299405
Energy: 0.7698304690097697
Energy: 0.47645923171936067
Energy: 0.9955953980207731
Energy: 0.47645923172051563
Energy: 0.6533798975422571
Energy: 0.6749815949476751
Energy: 1.2969567188596336
Energy: 0.6749815949482525
Energy: 0.7686879054545229
Energy: 0.6768758267164724
Energy: 1.1261317231605814
Energy: 0.6768758267164724
Energy: 0.5661307062738924
Energy: 0.4786139561526325
Energy: 1.1293325848904447
Energy: 0.47861395615321
Energy: 0.565154646515102
Energy: 0.47614510508328606
Energy: 1.462875295368436
Energy: 0.47614510508328606
Energy: 0.6006636168759774
Energy: 0.47552873007613405
Energy: 1.295008330701052
Energy: 0.47552873007555657
Energy: 0.4756343240871682
Energy: 0.4759003239721375
Energy: 1.298905019561728
Energy: 0.47590032397098264
Energy: 0.4765055779873609
Energy: 0.47598489206691974
Energy: 1.4608428521715007
Energy: 0.4759848920674973
Energy: 0.4772918396513407
Energy: 0.4754812344822068
Energy: 1.208791182006428
Energy: 0.47548123448336166
Energy: 0.5670237749192436
Energy: 0.4790630525114344
Energy: 1.380869113645918
Energy: 0.4790630525131668
Energy: 0.5673466324181974
Energy: 0.4760434911461335
Energy: 1.3846463762989254
Energy: 0.4760434911478658
Energy: 0.5673472528659294
Energy: 0.47894641044584085
Energy: 1.1112989403703926
Energy: 0.4789464104475733
Energy: 0.7918581620962675
Energy: 0.6747936502018388
Energy: 1.3782163625689554
Energy: 0.6747936502018388
Energy: 0.796481734065818
Energy: 0.6750853479440534
Energy: 1.2106593519964544
Energy: 0.6750853479446308
Energy: 0.9593816818119751
Energy: 0.476288936058918
Energy: 1.1136718486551764
Energy: 0.4762889360923845
Energy: 0.9609173842151536
Energy: 0.8760291776172526
Energy: 1.220118003237637
Energy: 0.8760291776166752
Energy: 0.9590295458090954
Energy: 0.8814745519337538
Energy: 1.0415230106173197
Energy: 0.8814745519337538
Energy: 1.1323060483777274
Energy: 0.8819145240077354
Energy: 0.878550844545924
Energy: 0.8819145240077354
Energy: 1.0121241625110027
Energy: 0.8817908446030225
Energy: 1.1334700137893556
Energy: 0.8817908446035999
Energy: 1.1267643296964496
Energy: 0.8820853467905224
Energy: 0.8890752537464346
Energy: 0.8820853467905224
Energy: 1.2950522839320373
Energy: 0.8763109155198017
Energy: 0.8888441267860326
Energy: 0.8763109155198017
Energy: 0.9935036784410163
Energy: 0.6763028034092722
Energy: 0.8976972259287582
Energy: 0.6763028034092722
Energy: 1.2945902854823124
Energy: 0.6753876998114815
Energy: 0.7691985505360921
Energy: 0.6753876998109039
Energy: 1.2945426084496738
Energy: 0.6751863516413161
Energy: 0.771419015379326
Energy: 0.6751863516413161
Energy: 1.2362047523898765
Energy: 0.47815426339493816
Energy: 0.5660358778469883
Energy: 0.47815426334183797
Energy: 1.4594862950331398
Energy: 0.47638805741188617
Energy: 0.5664841207246716
Energy: 0.47638805741246365
Energy: 1.296074121902196
Energy: 0.480091073879042
Energy: 0.5661649918690196
Energy: 0.4800910738784645
Energy: 1.1382938787008081
Energy: 0.4756657812956866
Energy: 0.47585568772902115
Energy: 0.47566578129222176
Energy: 1.3829003528180792
Energy: 0.4754514065302456
Energy: 0.47606514817053164
Energy: 0.47545140652966816
Energy: 1.2126056344859026
Energy: 0.47596754693035254
Energy: 0.47545940581772905
Energy: 0.4759675469309301

minimum gb energy = 0.47545140652966816 eV
minimum distance =  2.31107083463681 Angstroms
sigma value = 113


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

Energy: 0.01546300014317578
Energy: 0.016212764536693923
Energy: 1.1095340320936582
Energy: 0.49483245957363764
Energy: 0.016172932470868602
Energy: 0.11151452257586562
Energy: 0.721608181215384
Energy: 0.11151452257586562
Energy: 0.016070280735550453
Energy: 0.11005209336359492
Energy: 0.7201368735463824
Energy: 0.11005209336401417
Energy: 0.017167524562436854
Energy: 0.11139830225360878
Energy: 0.7224778495976751
Energy: 0.11139830225405269
Energy: 0.7213052530300914
Energy: 0.11192647909774163
Energy: 0.7225098201908586
Energy: 0.11192647909774163
Energy: 0.015969694299057667
Energy: 0.10987157121557323
Energy: 0.7202953064851834
Energy: 0.10987157121557323

minimum gb energy = 0.01546300014317578 eV
minimum distance =  2.52121295660292 Angstroms
sigma value = 1