Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.017297064131973634
Energy: 1.8840649225511596
Energy: 0.017297064131973634
Energy: 1.8840649225511596
Energy: 0.017297064131973634
Energy: 1.8840649225508292
Energy: 1.8840649225508292
Energy: 0.3466541259961036
Energy: 1.8840649225514898
Energy: 0.3466541259957734
Energy: 1.8840649225514898
Energy: 0.3466541259964339
Energy: 0.017297064131643367
Energy: 1.8840649225511596
Energy: 0.017297064132303905
Energy: 1.8840649225508292
Energy: 0.017297064131643367
Energy: 1.8840649225511596
Energy: 1.8840649225508292
Energy: 0.3466541259970577
Energy: 1.8840649225508292
Energy: 0.3466541259961036
Energy: 1.8840649225508292
Energy: 0.3466541259964339
Energy: 0.017297064131643367
Energy: 1.8840649225508292
Energy: 0.017297064131973634
Energy: 1.8840649225504988
Energy: 0.017297064131643367
Energy: 1.8840649225514898
Energy: 1.8840649225508292
Energy: 0.3466541259964339
Energy: 1.8840649225508292
Energy: 0.3466541259961036
Energy: 1.8840649225508292
Energy: 0.3466541259961036

minimum gb energy = 0.017297064131643367 eV
minimum distance =  2.46006052905989 Angstroms
sigma value = 1


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

Energy: 2.117229167759079
Energy: 1.9014377752469618
Energy: 2.117229167755899
Energy: 1.901437775242192
Energy: 2.117229167758284
Energy: 1.9014377752453717
Energy: 2.2379459693026
Energy: 1.7412766006517744
Energy: 2.2379459693169093
Energy: 1.7412766006517744
Energy: 2.2379459692986243
Energy: 1.7412766006501843
Energy: 2.057243842571042
Energy: 1.9978801651604285
Energy: 2.057243842572632
Energy: 1.9978801651588385
Energy: 2.057243842570247
Energy: 1.9978801651588385
Energy: 2.1451453828018177
Energy: 1.8729051488662525
Energy: 2.1451453828042024
Energy: 1.8729051488678423
Energy: 2.145145382803407
Energy: 1.8729051488662525
Energy: 1.9782955770931356
Energy: 2.137108665476369
Energy: 1.9782955770891606
Energy: 2.137108665476369
Energy: 1.9782955770923405
Energy: 2.1371086654747793
Energy: 2.0527852635701005
Energy: 1.8283081408761102
Energy: 2.0527852635732806
Energy: 1.8283081408769053
Energy: 2.0527852635701005
Energy: 1.8283081408761102
Energy: 1.853296438209308
Energy: 2.0726764309057564
Energy: 1.853296438211693
Energy: 2.0726764309057564
Energy: 1.8532964382203656
Energy: 2.0726764309049615
Energy: 1.8536204572703654
Energy: 2.208521761707696
Energy: 1.8536204572655954
Energy: 2.208521761724391
Energy: 1.8536204572719555
Energy: 2.2085217617172357
Energy: 2.078889814355752
Energy: 2.075416699959032
Energy: 2.078889814357342
Energy: 2.075416699960622
Energy: 2.078889814356547
Energy: 2.0754166999598276
Energy: 1.7307712891522866
Energy: 2.196745986451198
Energy: 1.7307712891522866
Energy: 2.1967459864488124
Energy: 1.7307712891514917
Energy: 2.196745986448018
Energy: 1.994372933450975
Energy: 1.8388546555121623
Energy: 1.9943729334533598
Energy: 1.8388546555113674
Energy: 1.994372933449385
Energy: 1.8388546555113674
Energy: 1.6448573101363893
Energy: 2.120183825205548
Energy: 1.6448573101371842
Energy: 2.1201838252015723
Energy: 1.644857310135594
Energy: 2.1201838252071377
Energy: 2.2452048668462865
Energy: 1.6229872703614256
Energy: 2.2452048668446962
Energy: 1.6229872703606303
Energy: 2.2452048668462865
Energy: 1.6229872703598356
Energy: 1.8522950588969256
Energy: 1.9769863691854475
Energy: 1.8522950588977205
Energy: 1.9769863691862426
Energy: 1.8522950588961304
Energy: 1.9769863691886276
Energy: 2.3080312707185424
Energy: 1.737814059173249
Energy: 2.308031270708207
Energy: 1.737814059173249
Energy: 2.3080312707137725
Energy: 1.737814059171659
Energy: 2.3125666778481753
Energy: 2.0509447046195177
Energy: 2.3125666778489706
Energy: 2.0509447046226983
Energy: 2.3125666778497656
Energy: 2.050944704621108
Energy: 2.0568672757203816
Energy: 1.999202889504974
Energy: 2.0568672757243567
Energy: 1.999202889521669
Energy: 2.0568672757315114
Energy: 1.9992028895041791
Energy: 2.0563714041481584
Energy: 1.8752547161967204
Energy: 2.0563714041656485
Energy: 1.8752547161919504
Energy: 2.056371404156108
Energy: 1.8752547161903603
Energy: 1.81889368455272
Energy: 1.8721981892274622
Energy: 1.8188936845511299
Energy: 1.872198189223487
Energy: 1.818893684550335
Energy: 1.8721981892266673
Energy: 2.0252338584073515
Energy: 1.8284962317704851
Energy: 2.0252338584160965
Energy: 1.8284962317728701
Energy: 2.0252338584017866
Energy: 1.8284962317625353
Energy: 1.7587384573229645
Energy: 2.1698256913279526
Energy: 1.7587384573237594
Energy: 2.1698256913279526
Energy: 1.7587384573213745
Energy: 2.169825691107016
Energy: 2.080318635252591
Energy: 2.0763211018158803
Energy: 2.0803186352692857
Energy: 2.076321101816675
Energy: 2.080318635254976
Energy: 2.0763211018158803
Energy: 1.7391752409327057
Energy: 2.239578292154887
Energy: 1.7391752409342955
Energy: 2.2395782921532965
Energy: 1.7391752409335004
Energy: 2.239578292154887

minimum gb energy = 1.6229872703598356 eV
minimum distance =  2.27247803904304 Angstroms
sigma value = 33


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

Energy: 2.402210223224381
Energy: 2.1806298839913434
Energy: 2.2921277419607953
Energy: 2.180629883994509
Energy: 2.4022102232189546
Energy: 2.1806298839976743
Energy: 2.216563350666686
Energy: 1.9181086159234602
Energy: 2.2165633506549294
Energy: 1.9181086159189382
Energy: 2.216563350656286
Energy: 1.9181086159189382
Energy: 1.8363232637057048
Energy: 1.492887847780241
Energy: 1.8363232637011826
Energy: 1.9515281130402857
Energy: 1.8363232636980173
Energy: 1.6020517379075405
Energy: 2.192947406140104
Energy: 2.08708029521566
Energy: 2.1929474061387473
Energy: 2.0870802952102334
Energy: 2.1929474061419127
Energy: 2.0870802952075205
Energy: 2.0809236771690935
Energy: 1.9910140454779206
Energy: 2.0809236771650235
Energy: 1.9910140454847034
Energy: 2.0809236771668327
Energy: 1.991014045480634
Energy: 1.8783432235661093
Energy: 1.615821079205116
Energy: 1.8783432235778255
Energy: 1.6158210791974288
Energy: 1.8783432235706314
Energy: 1.6158210791911394
Energy: 2.2479154171065145
Energy: 1.6432451166526667
Energy: 2.2502488323133436
Energy: 1.6431759347450823
Energy: 2.2479154171182714
Energy: 1.6432434532168538
Energy: 1.7514490727428305
Energy: 2.2612310658058346
Energy: 1.751712982426788
Energy: 2.2612310651757683
Energy: 1.7514490727328822
Energy: 2.2612310653208394
Energy: 1.7619161511387615
Energy: 1.8418234986602773
Energy: 1.7619161511469008
Energy: 1.8418234986602773
Energy: 1.7619161511441876
Energy: 1.8418234986607298
Energy: 1.7988499947614573
Energy: 2.242922004222895
Energy: 1.7988500879378861
Energy: 2.242922004162343
Energy: 1.7988499947808603
Energy: 2.2429220041872133
Energy: 2.2538509453599413
Energy: 1.8025555803212292
Energy: 2.2538509452406448
Energy: 1.802555580320325
Energy: 2.2538509453106936
Energy: 1.8025555803198725
Energy: 1.8387932938105613
Energy: 1.913847873827811
Energy: 1.8387942573842284
Energy: 1.9138478738300717
Energy: 1.8387932938119183
Energy: 1.9138478738300717
Energy: 2.2334000420276467
Energy: 1.7681659091090187
Energy: 2.2334000420366906
Energy: 1.7681659091067579
Energy: 2.2334000420339772
Energy: 1.7681659091067579
Energy: 2.1613075365086347
Energy: 2.2042781079014953
Energy: 2.1613075365104435
Energy: 2.2042781079050715
Energy: 2.1613075365108956
Energy: 2.204278107904167
Energy: 2.1151179438775776
Energy: 1.9177801438695532
Energy: 2.115117943879386
Energy: 1.9177801438754316
Energy: 2.1151179438802905
Energy: 1.9177801438713622
Energy: 1.8363321450374799
Energy: 1.917401418104893
Energy: 1.8363321450343146
Energy: 1.9174014181021797
Energy: 1.8363321450388363
Energy: 1.9174014181067018
Energy: 2.1921685651496685
Energy: 2.0895007868617377
Energy: 2.192168636627876
Energy: 2.089500786854503
Energy: 2.192168542614811
Energy: 2.089500786861286
Energy: 2.09977789045216
Energy: 1.6239458517625172
Energy: 2.099777890449447
Energy: 1.6239458517679433
Energy: 2.0997778904548734
Energy: 1.6239458518036252
Energy: 1.882087780746368
Energy: 1.8815474087628474
Energy: 1.8820877807486287
Energy: 1.8815474087637516
Energy: 1.882087780754055
Energy: 1.8815474087628474
Energy: 2.1913816280751934
Energy: 2.2744186668514925
Energy: 2.1913816280751934
Energy: 2.274418666848327
Energy: 2.1913816280756455
Energy: 2.274418666848779
Energy: 1.6753804527153349
Energy: 2.3254181429667997
Energy: 1.6753804527090042
Energy: 2.325418141607678
Energy: 1.6753804527044827
Energy: 2.325418142623751
Energy: 1.9635329454142474
Energy: 1.841925188293063
Energy: 1.9635329454119865
Energy: 1.8419251882898977
Energy: 1.9635329454237433
Energy: 1.8419251882889933
Energy: 1.798981113465013
Energy: 2.1861819393698068
Energy: 1.7989659898085983
Energy: 2.1861819385828714
Energy: 1.7989811134672737
Energy: 2.1861819393490056
Energy: 2.2545972414914535
Energy: 2.0835833288850054
Energy: 2.254597241480149
Energy: 2.0835833288831966
Energy: 2.254597241475175
Energy: 2.083583328884101
Energy: 1.8360905251705995
Energy: 1.8890286669761196
Energy: 1.8363383640330904
Energy: 1.8890286669833547
Energy: 1.836090525179643
Energy: 1.8890286669937555
Energy: 2.345376086702264
Energy: 2.1758985109445983
Energy: 2.245704308757359
Energy: 2.175898510941433
Energy: 2.3453760867040727
Energy: 2.1758985109436937
Energy: 2.34553583051382
Energy: 2.197803714345173
Energy: 2.2458188815150124
Energy: 2.1978037143442686
Energy: 2.345535830510202
Energy: 2.19780371434653
Energy: 1.8362145309069022
Energy: 1.9628004696771943
Energy: 1.8362145308996671
Energy: 1.9628004696649854
Energy: 1.8362145308992148
Energy: 1.962800469666342
Energy: 2.2444049050035515
Energy: 1.9181671779657492
Energy: 2.244404904861193
Energy: 1.9181671779747516
Energy: 2.244404904965608
Energy: 1.9181671779747516
Energy: 1.7990401614741276
Energy: 2.14656982359764
Energy: 1.7990401614718663
Energy: 2.1465698237273365
Energy: 1.7990401614754838
Energy: 2.146569823438962
Energy: 1.5959457859884894
Energy: 1.615361330749566
Energy: 1.615806127741978
Energy: 1.615361330759514
Energy: 1.615958031505236
Energy: 1.6153613307509227
Energy: 1.7688282688386314
Energy: 1.60274309127731
Energy: 1.7688282688395358
Energy: 1.6027358217699899
Energy: 1.7688282688413448
Energy: 1.6027416030609185
Energy: 2.2527538902178827
Energy: 1.6369556660665472
Energy: 2.254894604060361
Energy: 1.6369829140772365
Energy: 2.252753890210647
Energy: 1.6369922591306696
Energy: 1.9224666996231572
Energy: 2.1150225527554007
Energy: 1.9224666996199917
Energy: 2.115022552751783
Energy: 1.9224666996145656
Energy: 2.115022552749522
Energy: 1.9175213150760244
Energy: 1.8363775463397798
Energy: 1.917521315084164
Energy: 1.8363775463370664
Energy: 1.9175213150864245
Energy: 1.8363775463411363
Energy: 2.085057143971863
Energy: 2.1979798867008484
Energy: 2.08505714396915
Energy: 2.1979798867126052
Energy: 2.085057143934331
Energy: 2.197979886704014
Energy: 1.836980682306614
Energy: 2.0807540299514433
Energy: 1.8369805431971133
Energy: 2.0807540299509912
Energy: 1.8369806823039005
Energy: 2.0807540299410427
Energy: 1.9067988586508458
Energy: 1.878471680695607
Energy: 1.9067988586598892
Energy: 1.8784716806983202
Energy: 1.906798858663959
Energy: 1.878471680695607
Energy: 2.1614864320095215
Energy: 2.1874315237659445
Energy: 2.1614864320104252
Energy: 2.187431523771371
Energy: 2.16148643201133
Energy: 2.1874315237559965
Energy: 2.3251076703800075
Energy: 1.6751657130475333
Energy: 2.325107671765356
Energy: 1.6751657130484379
Energy: 2.3251076782414715
Energy: 1.6751657130479858
Energy: 1.8388448850143368
Energy: 1.7630892098965774
Energy: 1.8388448850125279
Energy: 1.7630892098943163
Energy: 1.8388448850220238
Energy: 1.7630892098943163

minimum gb energy = 1.492887847780241 eV
minimum distance =  2.3143651017282 Angstroms
sigma value = 51


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

Energy: 2.050031659225568
Energy: 2.062544343803709
Energy: 2.050031659225568
Energy: 2.0625443438026614
Energy: 2.0500316592245205
Energy: 2.0625443438026614
Energy: 2.155041917852595
Energy: 1.8502409966466713
Energy: 2.155041917829592
Energy: 1.8502409966424807
Energy: 2.1550419178484517
Energy: 1.850240996643528
Energy: 1.9831919083596616
Energy: 1.9968446850429125
Energy: 1.9831919083607092
Energy: 1.9968446850418649
Energy: 1.983191908362805
Energy: 1.9968446850408172
Energy: 2.0294308065007596
Energy: 1.7070562750200635
Energy: 2.0294308065007596
Energy: 1.7070562750200635
Energy: 2.029430806502855
Energy: 1.7070562750211113
Energy: 2.035334699270922
Energy: 2.0020645340218572
Energy: 2.0353346992719694
Energy: 2.0020645340249525
Energy: 2.035334699270922
Energy: 2.0020645340208096
Energy: 2.058202389288383
Energy: 2.0020862999201476
Energy: 2.0582023892915258
Energy: 2.0020862999191
Energy: 2.0582023892894306
Energy: 2.002086299918052
Energy: 1.9811093497592644
Energy: 2.0021250850614924
Energy: 1.9811093497592644
Energy: 2.0021250850593972
Energy: 1.9811093497582168
Energy: 2.0021250850625405
Energy: 1.8628785778150099
Energy: 2.002896869904
Energy: 1.862878577817105
Energy: 2.0028968699050473
Energy: 1.8628785778192005
Energy: 2.0028968698945704
Energy: 2.2769427012042622
Energy: 1.7015960864473676
Energy: 2.2769427012063583
Energy: 1.7015960864473676
Energy: 2.2769427012042622
Energy: 1.7015960864473676
Energy: 1.7360792593614738
Energy: 2.2465144573971725
Energy: 1.736079259360426
Energy: 2.2465144573992686
Energy: 1.7360792593614738
Energy: 2.2465144573982205
Energy: 2.0685889193262708
Energy: 1.7177232812704513
Energy: 2.068588936753617
Energy: 1.7177232812704513
Energy: 2.0685889144104643
Energy: 1.7177232812704513
Energy: 2.0508212021860333
Energy: 2.0629775786871454
Energy: 2.0508212021839385
Energy: 2.0629775786829545
Energy: 2.0508212021860333
Energy: 2.0629775786871454
Energy: 2.153138865199323
Energy: 1.8519506326994115
Energy: 2.1531388647626146
Energy: 1.8519506326973163
Energy: 2.153138863828477
Energy: 1.8519506326983641
Energy: 1.983002997342615
Energy: 1.88981859812496
Energy: 1.9830029973447105
Energy: 1.8898185981260076
Energy: 1.9830029973447105
Energy: 1.8898185981207691
Energy: 1.999994505241778
Energy: 2.04078866223827
Energy: 1.9999945052407304
Energy: 2.04078866223827
Energy: 1.999994505241778
Energy: 2.0407886622393177
Energy: 2.0337946938476024
Energy: 2.0020909656697783
Energy: 2.0337946938392206
Energy: 2.0020909656676826
Energy: 2.0337946938455067
Energy: 2.0020909656687302
Energy: 2.035479495426973
Energy: 2.177673984678911
Energy: 2.035479495426973
Energy: 2.177673984678911
Energy: 2.035479495430116
Energy: 2.17767398467472
Energy: 1.98328786445974
Energy: 2.005627671003567
Energy: 1.9832878644618355
Energy: 2.005627671002519
Energy: 1.9832878644586922
Energy: 2.005627671002519

minimum gb energy = 1.7015960864473676 eV
minimum distance =  2.18666683743098 Angstroms
sigma value = 19


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

Energy: 1.6584806697590022
Energy: 1.6820956423101288
Energy: 1.6584806697602448
Energy: 1.6820956423101288
Energy: 1.6584806697602448
Energy: 1.682095642309507
Energy: 1.8335951657184069
Energy: 2.0517775541845795
Energy: 1.8335951657202716
Energy: 2.0517775541827157
Energy: 1.8335951657190281
Energy: 2.0517775541845795
Energy: 1.5970729725766966
Energy: 2.047691938283747
Energy: 1.5970729725748318
Energy: 2.0476919382812606
Energy: 1.5970729725754533
Energy: 2.0476919382818823
Energy: 1.73183705863306
Energy: 1.5974057583464858
Energy: 1.7318370586262235
Energy: 1.5974057583464858
Energy: 1.731837058634924
Energy: 1.5974057583464858
Energy: 1.644512524651978
Energy: 1.6537167661241954
Energy: 1.6445125246513568
Energy: 1.6537167661235737
Energy: 1.6445125246513568
Energy: 1.6537167661235737
Energy: 1.6445045511921705
Energy: 1.6540012406888165
Energy: 1.6445045511927923
Energy: 1.654001240689438
Energy: 1.6445045511921705
Energy: 1.6540012406900597
Energy: 1.7317243378846692
Energy: 1.5973981076118708
Energy: 1.7317243378865332
Energy: 1.5973981076118708
Energy: 1.7317243378834262
Energy: 1.5973981076118708
Energy: 1.5970670000581626
Energy: 2.047648180809569
Energy: 1.597067000058784
Energy: 2.0476481808114335
Energy: 1.597067000058784
Energy: 2.047648180814541
Energy: 1.8334776722481967
Energy: 2.0518281737417468
Energy: 1.8334776722500614
Energy: 2.051828173741125
Energy: 1.8334776722494397
Energy: 2.0518281737417468
Energy: 1.6584806697596237
Energy: 1.682095642309507
Energy: 1.6584806697583807
Energy: 1.6820956423107498
Energy: 1.6584806697602448
Energy: 1.6820956423101288
Energy: 1.8335951657196499
Energy: 2.051777554183337
Energy: 1.8335951657196499
Energy: 2.0517775541845795
Energy: 1.8335951657202716
Energy: 2.051777554183337
Energy: 1.5970729725754533
Energy: 2.0476919382812606
Energy: 1.5970729725754533
Energy: 2.0476919382818823
Energy: 1.5970729725748318
Energy: 2.0476919382800176
Energy: 1.7318370586305736
Energy: 1.5974057583471073
Energy: 1.731837058629331
Energy: 1.5974057583471073
Energy: 1.7318370586305736
Energy: 1.5974057583471073
Energy: 1.6445125246513568
Energy: 1.6537167661241954
Energy: 1.6445125246513568
Energy: 1.6537167661235737
Energy: 1.644512524650735
Energy: 1.6537167661235737
Energy: 1.6445045511927923
Energy: 1.654001240689438
Energy: 1.644504551193414
Energy: 1.654001240689438
Energy: 1.6445045511921705
Energy: 1.654001240689438
Energy: 1.731724337885912
Energy: 1.597398107610628
Energy: 1.7317243378846692
Energy: 1.5973981076112493
Energy: 1.7317243378852902
Energy: 1.5973981076112493
Energy: 1.597067000058784
Energy: 2.0476481808132982
Energy: 1.5970670000581626
Energy: 2.0476481808114335
Energy: 1.597067000057541
Energy: 2.0476481808164055
Energy: 1.833477672245711
Energy: 2.051828173741125
Energy: 1.833477672246954
Energy: 2.0518281737429898
Energy: 1.8334776722500614
Energy: 2.0518281737417468
Energy: 1.6584806697596237
Energy: 1.6820956423107498
Energy: 1.6584806697602448
Energy: 1.682095642309507
Energy: 1.6584806697596237
Energy: 1.6820956423088858
Energy: 1.8335951657215144
Energy: 2.051777554183337
Energy: 1.8335951657208929
Energy: 2.0517775541827157
Energy: 1.8335951657196499
Energy: 2.0517775541845795
Energy: 1.5970729725760748
Energy: 2.0476919382800176
Energy: 1.5970729725766966
Energy: 2.0476919382781533
Energy: 1.5970729725754533
Energy: 2.0476919382825036
Energy: 1.731837058628088
Energy: 1.5974057583458643
Energy: 1.7318370586311953
Energy: 1.5974057583464858
Energy: 1.731837058633681
Energy: 1.5974057583458643
Energy: 1.6445125246513568
Energy: 1.6537167661229524
Energy: 1.6445125246513568
Energy: 1.6537167661235737
Energy: 1.6445125246513568
Energy: 1.6537167661229524
Energy: 1.6445045511927923
Energy: 1.6540012406900597
Energy: 1.644504551193414
Energy: 1.654001240689438
Energy: 1.644504551193414
Energy: 1.654001240689438
Energy: 1.7317243378890195
Energy: 1.597398107610628
Energy: 1.7317243378815899
Energy: 1.5973981076112493
Energy: 1.7317243378822116
Energy: 1.5973981076112493
Energy: 1.597067000058784
Energy: 2.0476481808114335
Energy: 1.597067000058784
Energy: 2.0476481808114335
Energy: 1.597067000058784
Energy: 2.0476481808126765
Energy: 1.8334776722488184
Energy: 2.051828173741125
Energy: 1.8334776722463326
Energy: 2.051828173742368
Energy: 1.833477672250683
Energy: 2.051828173742368
Energy: 1.6584806697608665
Energy: 1.6820956423076427
Energy: 1.6584806697596237
Energy: 1.682095642309507
Energy: 1.6584806697608665
Energy: 1.682095642308264
Energy: 1.8335951657196499
Energy: 2.0517775541839587
Energy: 1.8335951657202716
Energy: 2.0517775541827157
Energy: 1.8335951657215144
Energy: 2.051777554183337
Energy: 1.5970729725760748
Energy: 2.047691938283747
Energy: 1.5970729725760748
Energy: 2.0476919382812606
Energy: 1.5970729725760748
Energy: 2.0476919382806393

minimum gb energy = 1.597067000057541 eV
minimum distance =  2.21273345368088 Angstroms
sigma value = 27


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

Energy: 1.5924335311480207
Energy: 1.5600207962081358
Energy: 1.5924335311480207
Energy: 1.5600207962081358
Energy: 1.5924335311464983
Energy: 1.5600207962081358
Energy: 1.8302341116323908
Energy: 1.6075198190975537
Energy: 1.8302341116308687
Energy: 1.6075198191005984
Energy: 1.8302341116323908
Energy: 1.6075198190990763
Energy: 1.5095694369875676
Energy: 1.754948299013771
Energy: 1.5095694369860455
Energy: 1.754948299013771
Energy: 1.5095694369860455
Energy: 1.754948299013771
Energy: 1.7326975663376885
Energy: 1.5188369473011494
Energy: 1.7326975663376885
Energy: 1.5188369472996273
Energy: 1.7326975663376885
Energy: 1.5188369473011494
Energy: 1.9242540890023454
Energy: 1.5189824146792152
Energy: 1.4654721096591778
Energy: 1.5189824146792152
Energy: 1.92425415489788
Energy: 1.5189824146792152
Energy: 1.8795326485531128
Energy: 1.9379108046509461
Energy: 1.8795326485515904
Energy: 1.9379108046509461
Energy: 1.8795326485515904
Energy: 1.9379108046509461
Energy: 1.6210917521970019
Energy: 1.6127397526745362
Energy: 1.6210917521985242
Energy: 1.6127397526745362
Energy: 1.6210917521970019
Energy: 1.6127397526745362
Energy: 1.5804918427477999
Energy: 1.5604263004741976
Energy: 1.5804918427493222
Energy: 1.5604263004741976
Energy: 1.5804918427477999
Energy: 1.560426300475685
Energy: 1.7844697510703782
Energy: 1.6204696365461353
Energy: 1.7844697514325127
Energy: 1.6204696620896684
Energy: 1.7844697515131605
Energy: 1.6204696296683754
Energy: 1.7340635260116959
Energy: 1.8711767892892983
Energy: 1.734063526013218
Energy: 1.8711767892908207
Energy: 1.7340635260116959
Energy: 1.8711767892892983
Energy: 1.602984880602501
Energy: 1.521442052776114
Energy: 1.602984880602501
Energy: 1.521442052776114
Energy: 1.602984880602501
Energy: 1.521442052776114
Energy: 2.1056218088914034
Energy: 1.7844609362072832
Energy: 2.1056218088914034
Energy: 1.7844609362027166
Energy: 2.105621808889881
Energy: 1.784460936201194

minimum gb energy = 1.4654721096591778 eV
minimum distance =  2.18994557319059 Angstroms
sigma value = 9


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

Energy: 1.6343829972734434
Energy: 1.4460446051108675
Energy: 1.6343829972730155
Energy: 1.4460446051104399
Energy: 1.6343829972725876
Energy: 1.4460446051095845
Energy: 1.4938219299916524
Energy: 1.4416379023348564
Energy: 1.4938219299792481
Energy: 1.4416379023344286
Energy: 1.4938219299830977
Energy: 1.4416379023352839
Energy: 1.3839777231484751
Energy: 1.5249596544012207
Energy: 1.3839777231489028
Energy: 1.5249596544003652
Energy: 1.3839777231463364
Energy: 1.5249596544046427
Energy: 1.4246427130882995
Energy: 1.3619473995095808
Energy: 1.4246427130874442
Energy: 1.361947399509153
Energy: 1.4246427130878718
Energy: 1.3619473995100084
Energy: 1.487159809323423
Energy: 1.4463814049304726
Energy: 1.4871598093259895
Energy: 1.4463814049309003
Energy: 1.4871598093272727
Energy: 1.4463814049287618
Energy: 1.558991344889587
Energy: 1.5285440865500117
Energy: 1.5589913448874482
Energy: 1.5285440865487288
Energy: 1.5589913448981414
Energy: 1.5285440865410294
Energy: 1.481181763175975
Energy: 1.5497991382768468
Energy: 1.481181763178969
Energy: 1.549799138276419
Energy: 1.4811817631768303
Energy: 1.549799138274708
Energy: 1.3442653874788157
Energy: 1.4936220250272423
Energy: 1.344265387480099
Energy: 1.493622025025959
Energy: 1.3442653874796715
Energy: 1.4936220250268144
Energy: 1.5028437227786322
Energy: 1.4475264999475304
Energy: 1.502843722773966
Energy: 1.4475264999492412
Energy: 1.502843722785476
Energy: 1.447526499948386
Energy: 1.478486961218514
Energy: 1.6153708087274792
Energy: 1.478486961216803
Energy: 1.6153708459598115
Energy: 1.4784869612215084
Energy: 1.6153708332986176
Energy: 1.4197892468594875
Energy: 1.3715766476701157
Energy: 1.4197892468582043
Energy: 1.3715766476705435
Energy: 1.4197892468582043
Energy: 1.371576647669688
Energy: 1.4184986980582355
Energy: 1.5310298642323332
Energy: 1.4184986980586634
Energy: 1.5310298642284836
Energy: 1.4184986980552414
Energy: 1.531029864245165
Energy: 1.5115687470771608
Energy: 1.5172851580957967
Energy: 1.5115687470822934
Energy: 1.5172851581013571
Energy: 1.5115687470814378
Energy: 1.5172851580975077
Energy: 1.6240049677567665
Energy: 1.4274041004146365
Energy: 1.6240049677755868
Energy: 1.4274041004227633
Energy: 1.6240049677695985
Energy: 1.4274041004163476
Energy: 1.385505295251571
Energy: 1.4748476519006661
Energy: 1.3855052952562759
Energy: 1.4748476519057987
Energy: 1.3855052952519984
Energy: 1.47484765190751
Energy: 1.3941588768412487
Energy: 1.5468573518870938
Energy: 1.394158876840821
Energy: 1.546857351891799
Energy: 1.394158876836116
Energy: 1.5468573518960762
Energy: 1.3819335921532159
Energy: 1.3634174102201064
Energy: 1.3819705555475945
Energy: 1.36341741021754
Energy: 1.3823406305356125
Energy: 1.3634174102188235
Energy: 1.403885176555382
Energy: 1.461955775661879
Energy: 1.4038851765528158
Energy: 1.4619557756614514
Energy: 1.4038851765540985
Energy: 1.4619557756614514
Energy: 1.337420703323231
Energy: 1.7039260582330384
Energy: 1.337420703331358
Energy: 1.7039260601625277
Energy: 1.337420703321948
Energy: 1.7039260570850892
Energy: 1.6350536597825631
Energy: 1.3872073466921186
Energy: 1.6350536597825631
Energy: 1.3872073466929742
Energy: 1.635053659782991
Energy: 1.3872073466925463
Energy: 1.3374390650090744
Energy: 1.7040411981128305
Energy: 1.3374390650116408
Energy: 1.70404119860367
Energy: 1.3374390650133514
Energy: 1.70404119663654
Energy: 1.4038904656710325
Energy: 1.4619938876834817
Energy: 1.4038904656667552
Energy: 1.4619938876839096
Energy: 1.4038904656693216
Energy: 1.4619938876839096
Energy: 1.382044581400773
Energy: 1.363356131012695
Energy: 1.3823550403483038
Energy: 1.3633561310109839
Energy: 1.382050632919455
Energy: 1.363356131012267
Energy: 1.3941018598689292
Energy: 1.6074432633478613
Energy: 1.3941018598697845
Energy: 1.6074432633350293
Energy: 1.3941018598762005
Energy: 1.6074432633251916
Energy: 1.385467174487208
Energy: 1.4760629514876926
Energy: 1.3854671744889189
Energy: 1.4760629514902592
Energy: 1.3854671744889189
Energy: 1.47606295148256
Energy: 1.6241217347524637
Energy: 1.525508100314075
Energy: 1.624121734758452
Energy: 1.5255081003162136
Energy: 1.6241217347597354
Energy: 1.5255081003132192
Energy: 1.5115800147885623
Energy: 1.5172825057137418
Energy: 1.51158001477958
Energy: 1.5172825057214407
Energy: 1.5115800147864238
Energy: 1.5172825057133141
Energy: 1.4182975486639313
Energy: 1.5122487371404592
Energy: 1.4182975486643592
Energy: 1.512248737136182
Energy: 1.4182975486622207
Energy: 1.5122487371464475
Energy: 1.419789781381951
Energy: 1.3713024352457013
Energy: 1.4197897813802403
Energy: 1.371302435244418
Energy: 1.4197897813836622
Energy: 1.3713024352439904
Energy: 1.4785584223024855
Energy: 1.4486472874243566
Energy: 1.4785584223067627
Energy: 1.4486472874170848
Energy: 1.4785584223024855
Energy: 1.4486472874273504
Energy: 1.5028970180426398
Energy: 1.447259690756499
Energy: 1.5028970180490557
Energy: 1.4472596907569266
Energy: 1.50289701805205
Energy: 1.4472596907586377
Energy: 1.3442399517482948
Energy: 1.4936598229446179
Energy: 1.344239951744445
Energy: 1.4936598229450455
Energy: 1.3442399517465835
Energy: 1.4936598229433347
Energy: 1.4810839158951807
Energy: 1.5523406041792331
Energy: 1.4810839158998859
Energy: 1.552340604177522
Energy: 1.481083915896464
Energy: 1.5523406041753833
Energy: 1.558771333697924
Energy: 1.5286996337913745
Energy: 1.5587713337000626
Energy: 1.5286996337815368
Energy: 1.5587713337030566
Energy: 1.5286996337943688
Energy: 1.487103225259759
Energy: 1.4466043683935146
Energy: 1.487103225255909
Energy: 1.4466043683930867
Energy: 1.487103225259331
Energy: 1.4466043683930867
Energy: 1.424529643157062
Energy: 1.3619037150804791
Energy: 1.424529643158345
Energy: 1.361903715079196
Energy: 1.424529643157062
Energy: 1.3619037150800513
Energy: 1.3836976915216224
Energy: 1.5248237010583072
Energy: 1.383697691520339
Energy: 1.5248237010591628
Energy: 1.38369769152205
Energy: 1.5248237010604457
Energy: 1.4935528279356536
Energy: 1.4413631053819984
Energy: 1.4935528279322319
Energy: 1.441363105382426
Energy: 1.4935528279531909
Energy: 1.4413631053819984
Energy: 1.634382997276865
Energy: 1.446044605116428
Energy: 1.634382997273871
Energy: 1.4460446051168556
Energy: 1.6343829972751542
Energy: 1.4460446051177112
Energy: 1.493821930003162
Energy: 1.4267338591288634
Energy: 1.493821929969838
Energy: 1.426733859129719
Energy: 1.493821929968555
Energy: 1.426733859129291
Energy: 1.3839777231578465
Energy: 1.5249596543982264
Energy: 1.38397772315528
Energy: 1.524959654399082
Energy: 1.3839777231539967
Energy: 1.5249596543995096
Energy: 1.42464271308445
Energy: 1.361947399512147
Energy: 1.4246427130840222
Energy: 1.3619473995130027
Energy: 1.4246427130870163
Energy: 1.3619473995130027
Energy: 1.4871598093217122
Energy: 1.4463814049240569
Energy: 1.4871598093242786
Energy: 1.4463814049244845
Energy: 1.4871598093225675
Energy: 1.4463814049244845

minimum gb energy = 1.337420703321948 eV
minimum distance =  2.29252176720273 Angstroms
sigma value = 57


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

Energy: 0.7602239928236847
Energy: 0.7735193816297401
Energy: 0.7602239928236847
Energy: 0.7735193816307138
Energy: 0.7602239928236847
Energy: 0.7735193816297401
Energy: 0.8604964369051511
Energy: 0.7602041391738448
Energy: 0.8604964369129406
Energy: 0.7602041391738448
Energy: 0.8604964369080723
Energy: 0.7602041391738448
Energy: 0.8072512348587052
Energy: 0.8757525995443652
Energy: 0.8072512348577315
Energy: 0.8757525995443652
Energy: 0.8072512348596789
Energy: 0.8757525995443652
Energy: 0.7759029525459534
Energy: 0.7591056951548735
Energy: 0.7759029525449798
Energy: 0.7591056951548735
Energy: 0.7759029525459534
Energy: 0.7591056951548735
Energy: 0.8602014840728831
Energy: 0.8630108368148971
Energy: 0.8602014840758042
Energy: 0.8630108368148971
Energy: 0.8602014840738568
Energy: 0.8630108368148971
Energy: 0.7593677712583693
Energy: 0.8099364945533207
Energy: 0.7593677712603166
Energy: 0.8099364945523471
Energy: 0.759367771259343
Energy: 0.8099364945533207
Energy: 0.7593784249095108
Energy: 0.8101618501120552
Energy: 0.7593784249095108
Energy: 0.8101618501120552
Energy: 0.7593784249104845
Energy: 0.8101618501120552
Energy: 0.8600944204370697
Energy: 0.8631072106185701
Energy: 0.8600944204360961
Energy: 0.8631072106185701
Energy: 0.8600944204380434
Energy: 0.8631072106175963
Energy: 0.7759010316754238
Energy: 0.7591066079609777
Energy: 0.77590103167445
Energy: 0.759106607960004
Energy: 0.775901031677371
Energy: 0.7591066079609777
Energy: 0.8071527956240387
Energy: 0.8757801065692841
Energy: 0.8071527956230653
Energy: 0.8757801065692841
Energy: 0.8071527956250125
Energy: 0.8757801065692841
Energy: 0.8604897443799423
Energy: 0.7599976986107168
Energy: 0.860489744380916
Energy: 0.7599976986107168
Energy: 0.8604897443789686
Energy: 0.7599976986107168
Energy: 0.7602239928236847
Energy: 0.7735193816297401
Energy: 0.7602239928236847
Energy: 0.7735193816297401
Energy: 0.7602239928236847
Energy: 0.7735193816297401
Energy: 0.8604964369080723
Energy: 0.7602041391738448
Energy: 0.860496436909046
Energy: 0.7602041391738448
Energy: 0.8604964369100196
Energy: 0.7602041391738448
Energy: 0.8072512348606526
Energy: 0.8757525995453389
Energy: 0.8072512348596789
Energy: 0.8757525995453389
Energy: 0.8072512348606526
Energy: 0.8757525995453389
Energy: 0.7759029525440061
Energy: 0.7591056951558471
Energy: 0.7759029525430324
Energy: 0.7591056951558471
Energy: 0.7759029525430324
Energy: 0.7591056951558471
Energy: 0.8602014840738568
Energy: 0.8630108368148971
Energy: 0.8602014840758042
Energy: 0.8630108368148971
Energy: 0.8602014840728831
Energy: 0.8630108368158709
Energy: 0.7593677712603166
Energy: 0.8099364945533207
Energy: 0.7593677712603166
Energy: 0.8099364945533207
Energy: 0.7593677712603166
Energy: 0.8099364945533207
Energy: 0.7593784249104845
Energy: 0.8101618501110815
Energy: 0.7593784249095108
Energy: 0.8101618501110815
Energy: 0.7593784249104845
Energy: 0.8101618501101079
Energy: 0.8600944204370697
Energy: 0.8631072106185701
Energy: 0.8600944204370697
Energy: 0.8631072106195438
Energy: 0.8600944204380434
Energy: 0.8631072106195438

minimum gb energy = 0.7591056951548735 eV
minimum distance =  2.36571806263345 Angstroms
sigma value = 11


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

Energy: 1.1872873201288003
Energy: 1.1273287156073168
Energy: 1.1872873201302268
Energy: 1.127328715613023
Energy: 1.187287320128087
Energy: 1.127328715604464
Energy: 1.3288146152322995
Energy: 1.3080971369770622
Energy: 1.3288146152422846
Energy: 1.3080971369763488
Energy: 1.328814615231586
Energy: 1.3080971369770622
Energy: 1.3301744488241989
Energy: 1.6936110818642374
Energy: 1.3301744488220593
Energy: 1.6936110818585315
Energy: 1.3301744488220593
Energy: 1.6936110818563916
Energy: 1.635220025364485
Energy: 1.122132638874831
Energy: 1.6352200253659115
Energy: 1.1221326388741177
Energy: 1.6352200253623452
Energy: 1.1221326388726913
Energy: 1.5430829419988776
Energy: 1.0903020457145762
Energy: 1.5430829419981646
Energy: 1.0903020457152892
Energy: 1.5430829419981646
Energy: 1.0903020457145762
Energy: 1.142395272502572
Energy: 1.1093251812014557
Energy: 1.1423952725004323
Energy: 1.1093251812078748
Energy: 1.1423952725011457
Energy: 1.1093251812043086
Energy: 1.0864205168361445
Energy: 1.1582239668702714
Energy: 1.0864205168382841
Energy: 1.1582239668667054
Energy: 1.0864205168382841
Energy: 1.1582239668659922
Energy: 1.1378116890254082
Energy: 1.046955995745308
Energy: 1.1378116890346803
Energy: 1.046955995745308
Energy: 1.1378116890475187
Energy: 1.046955995746021
Energy: 1.358460886047012
Energy: 1.0543788236213614
Energy: 1.3584608860491516
Energy: 1.0543788236213614
Energy: 1.3584608860505782
Energy: 1.0543788236213614
Energy: 1.0594009081346834
Energy: 1.6186929167695432
Energy: 1.059400908133257
Energy: 1.6186929167731097
Energy: 1.0594009081318305
Energy: 1.6186929167781021
Energy: 1.1581225260453671
Energy: 1.5173268903619666
Energy: 1.1581225260411527
Energy: 1.51732689036268
Energy: 1.1581225260439407
Energy: 1.51732689036268
Energy: 1.3293476067808863
Energy: 1.0870952584744653
Energy: 1.3293476067808863
Energy: 1.0870952584744653
Energy: 1.3293476067823127
Energy: 1.0870952584744653
Energy: 1.1388982399914693
Energy: 1.1307030472232855
Energy: 1.1388982400021679
Energy: 1.1307030472218589
Energy: 1.138898239995749
Energy: 1.130703047222572
Energy: 1.5982144489724264
Energy: 1.6630237472757752
Energy: 1.5982144489759926
Energy: 1.6630237472679297
Energy: 1.5982144489731396
Energy: 1.663023747272209
Energy: 1.3277676995776715
Energy: 1.0894305453064226
Energy: 1.3277677024336423
Energy: 1.0894305453085624
Energy: 1.3277677005479895
Energy: 1.0894305453085624
Energy: 1.1382147546016026
Energy: 1.5739541862476014
Energy: 1.1382147546023158
Energy: 1.5739541862476014
Energy: 1.1382147546001762
Energy: 1.5739541862483148
Energy: 1.2644270141630742
Energy: 1.3123387597786407
Energy: 1.2644270141637872
Energy: 1.3123387597786407
Energy: 1.2644270141645004
Energy: 1.3123387597786407
Energy: 1.6339135308590138
Energy: 1.2079477679869792
Energy: 1.6339135308590138
Energy: 1.2079477679905453
Energy: 1.63391353086258
Energy: 1.2079477679841264
Energy: 1.4086819200565925
Energy: 1.1148456979163028
Energy: 1.408681920048747
Energy: 1.114845697917016
Energy: 1.408681920052313
Energy: 1.1148456979155899
Energy: 1.3281786724203917
Energy: 1.1313112177021307
Energy: 1.3281786724232445
Energy: 1.1313112177007045
Energy: 1.3281786724203917
Energy: 1.1313112177014175
Energy: 1.0638043639528418
Energy: 1.1137858465585342
Energy: 1.0638043639528418
Energy: 1.1137858465556811
Energy: 1.0638043639521289
Energy: 1.1137858465556811
Energy: 1.1174769151785138
Energy: 1.157890980357006
Energy: 1.1174769151785138
Energy: 1.1578909803562927
Energy: 1.1174769151778006
Energy: 1.1578909803619986
Energy: 1.3385873805030282
Energy: 1.34452596531759
Energy: 1.3385873804987487
Energy: 1.3445259653183033
Energy: 1.3385873805030282
Energy: 1.3445259653162283
Energy: 1.1490323751619016
Energy: 1.3168215522748248
Energy: 1.149032375163328
Energy: 1.3168215522755382
Energy: 1.1490323751604752
Energy: 1.3168215522755382
Energy: 1.0637517006054804
Energy: 1.619324440472453
Energy: 1.06375170060762
Energy: 1.6193244404838647
Energy: 1.0637517006061936
Energy: 1.6193244403020557
Energy: 2.1532460792032397
Energy: 1.495352969701516
Energy: 2.153246079203953
Energy: 1.4953529697000896
Energy: 2.153246079203953
Energy: 1.4953529697022294

minimum gb energy = 1.046955995745308 eV
minimum distance =  2.2429818723001 Angstroms
sigma value = 41


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

Energy: 1.338968834800654
Energy: 1.2127193296652115
Energy: 1.3389688347995299
Energy: 1.2127193296657734
Energy: 1.3389688347995299
Energy: 1.2127193296652115
Energy: 1.256426125571731
Energy: 1.189277103348443
Energy: 1.2564261255739797
Energy: 1.189277103349005
Energy: 1.256426125572293
Energy: 1.1892771033495673
Energy: 1.4983716565420147
Energy: 1.3583893194370684
Energy: 1.4983716565425769
Energy: 1.358389319439317
Energy: 1.4983716565414527
Energy: 1.3583893194381929
Energy: 1.2399821958479178
Energy: 1.1680951607459251
Energy: 1.2399821958462314
Energy: 1.168095160745363
Energy: 1.23998219584848
Energy: 1.168095160745363
Energy: 1.1777257025116616
Energy: 1.255465634481804
Energy: 1.1777257025122239
Energy: 1.2554656344823663
Energy: 1.1777257025110996
Energy: 1.2554656344823663
Energy: 1.233629384171452
Energy: 1.2056633892101765
Energy: 1.2336293841742625
Energy: 1.2056633892101765
Energy: 1.2336293841725763
Energy: 1.2056633892101765
Energy: 1.1719577229896814
Energy: 1.2556833594417727
Energy: 1.1719577229908058
Energy: 1.2556798565202318
Energy: 1.1719577229902436
Energy: 1.2556824289016506
Energy: 1.1316530201219848
Energy: 1.1678829430110471
Energy: 1.1316530201208603
Energy: 1.1678829430116093
Energy: 1.1316530201214225
Energy: 1.1678829430110471
Energy: 1.1935145041370459
Energy: 1.2498543789724397
Energy: 1.1935145041370459
Energy: 1.2498543789724397
Energy: 1.1935145041370459
Energy: 1.249854378973002
Energy: 1.232605276682516
Energy: 1.2624664649627897
Energy: 1.2326052766819535
Energy: 1.2624664649566062
Energy: 1.232605276682516
Energy: 1.2624664649644761
Energy: 1.2422858654623095
Energy: 1.279634764985757
Energy: 1.2422858654623095
Energy: 1.2796347649908162
Energy: 1.2422858654617475
Energy: 1.2796347649874436
Energy: 1.1244642229587387
Energy: 1.1846527358063477
Energy: 1.1244642229581767
Energy: 1.1846527358046612
Energy: 1.1244642229587387
Energy: 1.184652735804099
Energy: 1.1290766469290328
Energy: 1.1680493080832928
Energy: 1.1290766469290328
Energy: 1.1680493080838552
Energy: 1.1290766469290328
Energy: 1.1680493080832928
Energy: 1.1171116666735426
Energy: 1.2643596714471166
Energy: 1.1171116666712941
Energy: 1.2643596714471166
Energy: 1.1171116666729806
Energy: 1.2643596714443057
Energy: 1.2419138863334989
Energy: 1.206405652594044
Energy: 1.2419138863329364
Energy: 1.2064056525962927
Energy: 1.2419138863340606
Energy: 1.2064056525951683
Energy: 1.1020807932301293
Energy: 1.2699976220301288
Energy: 1.102080793229567
Energy: 1.2699976220301288
Energy: 1.1020807932312537
Energy: 1.269997622030691
Energy: 1.1441312190739787
Energy: 1.1682088570793034
Energy: 1.1441312190722925
Energy: 1.1682088570793034
Energy: 1.1441312190717303
Energy: 1.1682088570793034
Energy: 1.1792038409996464
Energy: 1.3599530232204498
Energy: 1.179203841002457
Energy: 1.3599530232215742
Energy: 1.179203841001333
Energy: 1.3599530232198878
Energy: 1.256593275568908
Energy: 1.1895029815515556
Energy: 1.2565932755711566
Energy: 1.1895029815521176
Energy: 1.256593275568908
Energy: 1.1895029815532419
Energy: 1.235430140199269
Energy: 1.1910853097636223
Energy: 1.2354301401987065
Energy: 1.19108530976306
Energy: 1.235430140200955
Energy: 1.1910853097624978
Energy: 1.1470580567156103
Energy: 1.190645671690189
Energy: 1.1470580567150481
Energy: 1.190645671689627
Energy: 1.1470580567156103
Energy: 1.1906456716890645
Energy: 1.1970434526859721
Energy: 1.342102982075391
Energy: 1.1970434526870966
Energy: 1.342102982075391
Energy: 1.1970434526865346
Energy: 1.3421029820776396
Energy: 1.2397884265975163
Energy: 1.177653433040962
Energy: 1.239788426599765
Energy: 1.177653433040962
Energy: 1.2397884265992027
Energy: 1.177653433040962
Energy: 1.1013450876929163
Energy: 1.2314733076831748
Energy: 1.101345087691792
Energy: 1.2314733076814885
Energy: 1.1013450876912299
Energy: 1.2314733076826125
Energy: 1.1020938392233675
Energy: 1.2061071729655037
Energy: 1.1020938392239297
Energy: 1.2061071729615687
Energy: 1.1020938392239297
Energy: 1.2061071729621307
Energy: 1.167960165184382
Energy: 1.1727924770924225
Energy: 1.167960165184944
Energy: 1.172792477093547
Energy: 1.167960165184944
Energy: 1.1727924770924225
Energy: 1.1310914051635204
Energy: 1.1779364269971055
Energy: 1.1310914051640821
Energy: 1.1779364269971055
Energy: 1.1310914051635204
Energy: 1.1779364269965436
Energy: 1.191908083959768
Energy: 1.2798705204185032
Energy: 1.1919080839614544
Energy: 1.279870520417379
Energy: 1.1919080839603302
Energy: 1.2798705204179412
Energy: 1.2332523867989045
Energy: 1.192412117534727
Energy: 1.233252386800029
Energy: 1.192412117534727
Energy: 1.2332523867983423
Energy: 1.1924121175324787
Energy: 1.335284154170718
Energy: 1.1064368971442948
Energy: 1.3352841541712803
Energy: 1.1064368971442948
Energy: 1.335284154170718
Energy: 1.1064368971442948
Energy: 1.1250105347356796
Energy: 1.172517493985591
Energy: 1.1250105347373658
Energy: 1.1725174939709753
Energy: 1.1250105347368038
Energy: 1.1725174939749103
Energy: 1.1967273205153588
Energy: 1.2364265453289214
Energy: 1.1967273205159208
Energy: 1.2364265453289214
Energy: 1.1967273205159208
Energy: 1.2364265453289214
Energy: 1.102082560567879
Energy: 1.188055068567536
Energy: 1.1020825605673168
Energy: 1.188055068570909
Energy: 1.102082560567879
Energy: 1.1880550685714708

minimum gb energy = 1.1013450876912299 eV
minimum distance =  2.31901125117366 Angstroms
sigma value = 33


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

Energy: 1.3669160036075823
Energy: 1.2528366249741325
Energy: 1.366916003605215
Energy: 1.2528366249741325
Energy: 1.3669160036099492
Energy: 1.2528366249741325
Energy: 1.3939542682501214
Energy: 1.1516525283274233
Energy: 1.3939542682516994
Energy: 1.1516525283266346
Energy: 1.3939542682875647
Energy: 1.1516525283274233
Energy: 1.3129582148997907
Energy: 1.3978012311319927
Energy: 1.3129582149037358
Energy: 1.3978012311312038
Energy: 1.3129582148978538
Energy: 1.3978012311312038
Energy: 1.2541372055203595
Energy: 1.1911640511771642
Energy: 1.2541372055195703
Energy: 1.191164051177953
Energy: 1.254137205518351
Energy: 1.19116405118032
Energy: 1.2670256486986147
Energy: 1.2642604848759615
Energy: 1.2670256486982558
Energy: 1.2642604848759615
Energy: 1.2670256487001925
Energy: 1.2642604848759615
Energy: 1.2899655100804739
Energy: 1.250789592407318
Energy: 1.2899655100816934
Energy: 1.2507895924065289
Energy: 1.2899655100812628
Energy: 1.2507895924081072
Energy: 1.2358720939765973
Energy: 1.3426356421837307
Energy: 1.2358720939758083
Energy: 1.3426356421833003
Energy: 1.2358720939762387
Energy: 1.342635642181722
Energy: 1.2891825970811313
Energy: 1.290110135229763
Energy: 1.2891825970827093
Energy: 1.290110135229763
Energy: 1.2891825970803423
Energy: 1.2901101352317716
Energy: 1.4188388820640123
Energy: 1.292836188528791
Energy: 1.418838882068388
Energy: 1.292836188528791
Energy: 1.41883888206681
Energy: 1.2928361885295798
Energy: 1.3823438046624559
Energy: 1.2218131972658963
Energy: 1.3823438046620253
Energy: 1.2218131972651074
Energy: 1.3823438046592997
Energy: 1.221813197265538
Energy: 1.297296689929063
Energy: 1.290458198800518
Energy: 1.2972966899278437
Energy: 1.2904581988013069
Energy: 1.297296689930211
Energy: 1.2904581988016657
Energy: 1.2550160292438983
Energy: 1.2259953379111872
Energy: 1.255016029246624
Energy: 1.2259953379119763
Energy: 1.255016029250569
Energy: 1.2259953379111872
Energy: 1.2928795631687744
Energy: 1.300376391710047
Energy: 1.292879563167555
Energy: 1.3003763917120557
Energy: 1.2928795631722891
Energy: 1.3003763917104776
Energy: 1.2894824842069261
Energy: 1.2886686427269702
Energy: 1.2894824842085042
Energy: 1.2886686427261813
Energy: 1.2894824842116603
Energy: 1.2886686427265397
Energy: 1.3132141349916162
Energy: 1.2291836793318458
Energy: 1.3132141349936248
Energy: 1.2291836793318458
Energy: 1.3132141349920468
Energy: 1.2291836793310569
Energy: 1.221720229726496
Energy: 1.3953117425366661
Energy: 1.2217202297261374
Energy: 1.3953117425374553
Energy: 1.2217202297245593
Energy: 1.395311742538603
Energy: 1.3041672340793897
Energy: 1.1939693912833433
Energy: 1.3041672340765924
Energy: 1.1939693912837737
Energy: 1.3041672340825459
Energy: 1.1939693912833433
Energy: 1.2149211013560677
Energy: 1.257559294232286
Energy: 1.2149211013560677
Energy: 1.257559294233075
Energy: 1.2149211013552785
Energy: 1.257559294232286
Energy: 1.4047154348160666
Energy: 1.2523828674542785
Energy: 1.4047154348144888
Energy: 1.2523828674542785
Energy: 1.4047154348144888
Energy: 1.2523828674542785
Energy: 1.1908139484417881
Energy: 1.2471932470545313
Energy: 1.1908139484429359
Energy: 1.2471932470537421
Energy: 1.1908139484406406
Energy: 1.2471932470545313
Energy: 1.1960058913192555
Energy: 1.2948543439200142
Energy: 1.1960058913176774
Energy: 1.294854343920373
Energy: 1.196005891319614
Energy: 1.2948543439195839
Energy: 1.1840008191389142
Energy: 1.3510561109740644
Energy: 1.1840008191397031
Energy: 1.3510561109748533
Energy: 1.1840008191361884
Energy: 1.351056110974423
Energy: 1.3128251567876734
Energy: 1.1651222970733497
Energy: 1.312825156786454
Energy: 1.16512229707213
Energy: 1.3128251567884623
Energy: 1.1651222970705521
Energy: 1.1919277332104805
Energy: 1.301607123259446
Energy: 1.1919277332093328
Energy: 1.3016071232542812
Energy: 1.1919277332104805
Energy: 1.301607123259446
Energy: 1.2773381975954787
Energy: 1.1931887120588678
Energy: 1.2773381975974873
Energy: 1.1931887120584372
Energy: 1.2773381975966984
Energy: 1.1931887120592264
Energy: 1.2412874597060892
Energy: 1.2893223935103193
Energy: 1.2412874597073087
Energy: 1.2893223935114673
Energy: 1.2412874597065198
Energy: 1.2893223935106781
Energy: 1.351969870469944
Energy: 1.2442188839134916
Energy: 1.3519698704695855
Energy: 1.2442188839150699
Energy: 1.3519698704715222
Energy: 1.2442188839154285
Energy: 1.2943836630613834
Energy: 1.1950136586678082
Energy: 1.2943836630621723
Energy: 1.1950136586682387
Energy: 1.2943836630613834
Energy: 1.195013658668597
Energy: 1.2473926350758693
Energy: 1.3033704796376995
Energy: 1.247392635075439
Energy: 1.3033704796373409
Energy: 1.2473926350746498
Energy: 1.3033704796369106
Energy: 1.2125471150253178
Energy: 1.3821828654555768
Energy: 1.212547115027685
Energy: 1.3821828654622477
Energy: 1.212547115026107
Energy: 1.3821828654520618
Energy: 1.2524703139367046
Energy: 1.206388820888714
Energy: 1.252470313937135
Energy: 1.2063888208890727
Energy: 1.252470313935557
Energy: 1.206388820890292
Energy: 1.1918214494591806
Energy: 1.3238087179033171
Energy: 1.1918214494580328
Energy: 1.323808717902528
Energy: 1.1918214494572439
Energy: 1.3238087179096296
Energy: 1.1896720331318111
Energy: 1.2231831300618832
Energy: 1.1896720331318111
Energy: 1.223183130063461
Energy: 1.1896720331298745
Energy: 1.2231831300622418
Energy: 1.3046641226674027
Energy: 1.3232653646267338
Energy: 1.3046641226642468
Energy: 1.323265364630679
Energy: 1.3046641226642468
Energy: 1.3232653646294597
Energy: 1.3048242280987066
Energy: 1.3239680763963184
Energy: 1.3048242281010738
Energy: 1.3239680763955295
Energy: 1.3048242280987066
Energy: 1.3239680763959598
Energy: 1.1894168185812464
Energy: 1.222954571752108
Energy: 1.1894168185796683
Energy: 1.2229545717524668
Energy: 1.1894168185808878
Energy: 1.2229545717540447
Energy: 1.1920576655164616
Energy: 1.3236960510171372
Energy: 1.1920576655145247
Energy: 1.3236960510218714
Energy: 1.1920576655156725
Energy: 1.3236960510171372
Energy: 1.2523964280916016
Energy: 1.206410777466544
Energy: 1.2523964280951165
Energy: 1.2064107774673332
Energy: 1.2523964280923907
Energy: 1.2064107774669026
Energy: 1.2124927035512907
Energy: 1.3822614209721154
Energy: 1.2124927035520796
Energy: 1.382261420969318
Energy: 1.2124927035512907
Energy: 1.3822614209697484
Energy: 1.2473870053268332
Energy: 1.3020546514543547
Energy: 1.247387005331998
Energy: 1.3020546514515572
Energy: 1.2473870053288416
Energy: 1.302054651453135
Energy: 1.2943637203033131
Energy: 1.19512582173912
Energy: 1.2943637203029545
Energy: 1.1951258217371115
Energy: 1.2943637203041023
Energy: 1.19512582173912
Energy: 1.352208420965589
Energy: 1.24423767459537
Energy: 1.352208420969534
Energy: 1.244237674596159
Energy: 1.352208420968745
Energy: 1.2442376745958004
Energy: 1.2412652055295705
Energy: 1.289131225425549
Energy: 1.2412652055284228
Energy: 1.2891312254274858
Energy: 1.2412652055264144
Energy: 1.289131225425549
Energy: 1.276747433453262
Energy: 1.1931237227101128
Energy: 1.2767474334564182
Energy: 1.1931237227096827
Energy: 1.2767474334575657
Energy: 1.1931237227088936
Energy: 1.1919116488090429
Energy: 1.3016325788521081
Energy: 1.191911648806317
Energy: 1.3016325788564835
Energy: 1.1919116488078951
Energy: 1.3016325788533274
Energy: 1.3125371749093262
Energy: 1.1650445903008548
Energy: 1.3125371749124826
Energy: 1.1650445903008548
Energy: 1.3125371749124826
Energy: 1.1650445903012854
Energy: 1.1841881230063416
Energy: 1.3515396134092874
Energy: 1.1841881230047635
Energy: 1.3515396134104352
Energy: 1.1841881230063416
Energy: 1.3515396134104352

minimum gb energy = 1.1516525283266346 eV
minimum distance =  2.30952164002891 Angstroms
sigma value = 67


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

Energy: 1.49335280483315
Energy: 1.3399775248984165
Energy: 1.493352804826049
Energy: 1.3399775249010533
Energy: 1.493352804832371
Energy: 1.3399775248984165
Energy: 1.3831601427595626
Energy: 1.2058536047732045
Energy: 1.3831601427621991
Energy: 1.2058536047732045
Energy: 1.3831601427558768
Energy: 1.2058536047758412
Energy: 1.8438827923976533
Energy: 1.5738514296215458
Energy: 1.843882792395017
Energy: 1.5738514296207367
Energy: 1.8438827923976533
Energy: 1.5738514296217854
Energy: 1.3831094112141358
Energy: 1.2061195154529498
Energy: 1.3831094112159634
Energy: 1.2061195154529498
Energy: 1.3831094112146451
Energy: 1.2061195154529498
Energy: 1.4933528048305134
Energy: 1.3399775249010533
Energy: 1.4933528048252398
Energy: 1.3399775248984165
Energy: 1.4933528048315619
Energy: 1.3399775248984165
Energy: 1.3831601427514126
Energy: 1.2058536047758412
Energy: 1.383160142759053
Energy: 1.2058536047758412
Energy: 1.3831601427550981
Energy: 1.2058536047758412
Energy: 1.843882792395017
Energy: 1.5738514296223247
Energy: 1.8438827923976533
Energy: 1.573851429622864
Energy: 1.8438827923976533
Energy: 1.5738514296217854

minimum gb energy = 1.2058536047732045 eV
minimum distance =  2.31496049867401 Angstroms
sigma value = 3


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

Energy: 1.6978188825523677
Energy: 1.589622715617088
Energy: 1.6978188825523677
Energy: 1.5896227156134997
Energy: 1.6978188825523677
Energy: 1.5896227156134997
Energy: 1.5319005708891777
Energy: 1.3749725512630269
Energy: 1.5319005708927658
Energy: 1.3749725512630269
Energy: 1.5319005708891777
Energy: 1.3749725512630269
Energy: 1.5234866409332304
Energy: 1.718666713419244
Energy: 1.5234866409332304
Energy: 1.718666713419244
Energy: 1.5234866409332304
Energy: 1.718666713419244
Energy: 1.4819124052633696
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Energy: 1.5388790998299637
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Energy: 1.5301796650699626
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Energy: 1.661149770369526
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Energy: 1.5545986647998125
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Energy: 1.6621248602576382
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Energy: 1.4241041342410596
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Energy: 1.5965609376458099
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Energy: 1.4215611969461468
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Energy: 1.5127450308200021
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Energy: 1.3797761643951114
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Energy: 1.4933539179933464
Energy: 1.4646887416785268
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Energy: 1.4380430039803025
Energy: 1.5121207036378088
Energy: 1.4080377402160957
Energy: 1.5121207036342206
Energy: 1.4080261444045543
Energy: 1.5121207036413968
Energy: 1.4076547055081505
Energy: 1.4058705616886567
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Energy: 1.405870561692245
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Energy: 1.4541364369529926
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Energy: 1.455914552886214
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Energy: 1.4542777363499253
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Energy: 1.4924780892985048
Energy: 1.5013257204264108
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Energy: 1.3679601260043575
Energy: 1.512599237956791
Energy: 1.3680382193041778
Energy: 1.512599237963967
Energy: 1.3682480402596298
Energy: 1.341611917351489
Energy: 1.6207967322618044
Energy: 1.3416119173550773
Energy: 1.6207967322618044
Energy: 1.3416119173586654
Energy: 1.6207967322618044
Energy: 1.490172327393911
Energy: 1.4564623067422386
Energy: 1.4895404021502965
Energy: 1.4564623067351274
Energy: 1.4894264436850362
Energy: 1.4564623067422386
Energy: 1.4263904717571712
Energy: 1.3759760434737465
Energy: 1.426390471753583
Energy: 1.375619235405616
Energy: 1.426390471753583
Energy: 1.378288349300768
Energy: 1.7277324841004735
Energy: 1.369848360502105
Energy: 1.7277324841004735
Energy: 1.369848360502105
Energy: 1.7277324840968853
Energy: 1.369848360502105
Energy: 1.4333381279547466
Energy: 1.4514690680058775
Energy: 1.4333382823861094
Energy: 1.4514690679987012
Energy: 1.4333382858399488
Energy: 1.4514690680058775
Energy: 1.4969140069757043
Energy: 1.3797250606856373
Energy: 1.5020033701141735
Energy: 1.3797250606856373
Energy: 1.5003991135657009
Energy: 1.379725060682049
Energy: 1.5164589265681325
Energy: 1.5054954138309373
Energy: 1.5164589265681325
Energy: 1.5054954138309373
Energy: 1.5164589265681325
Energy: 1.505495413827349
Energy: 1.6216597997994786
Energy: 1.373445242957496
Energy: 1.6216597997994786
Energy: 1.373445242961084
Energy: 1.6216597997994786
Energy: 1.373445242961084
Energy: 1.52566162049092
Energy: 1.4514207154269128
Energy: 1.5256613647406845
Energy: 1.4514207154269128
Energy: 1.525660208081457
Energy: 1.451420715430501
Energy: 1.499771863387515
Energy: 1.46759192093895
Energy: 1.499036483043786
Energy: 1.467592048381865
Energy: 1.4973404975510574
Energy: 1.4675905456104124
Energy: 1.4263340232379162
Energy: 1.376959703549531
Energy: 1.4263340232379162
Energy: 1.3774324551534523
Energy: 1.4263340232379162
Energy: 1.3767208235713628
Energy: 1.5283493700611397
Energy: 1.451622456581348
Energy: 1.5283493700611397
Energy: 1.451622456581348
Energy: 1.5283493700647277
Energy: 1.451622456584936
Energy: 1.5116617015499352
Energy: 1.4521002178324012
Energy: 1.4138859796735344
Energy: 1.4521002178324012
Energy: 1.4129693166469335
Energy: 1.4521002178324012

minimum gb energy = 1.341611917351489 eV
minimum distance =  2.28881355459342 Angstroms
sigma value = 81


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

Energy: 1.7494227750524292
Energy: 1.7151686822038898
Energy: 1.5690082987289227
Energy: 1.7151686822033971
Energy: 1.7494227791124204
Energy: 1.7151686822033971
Energy: 1.6865482436577721
Energy: 1.6677792013250123
Energy: 1.6865482436607269
Energy: 1.6677792013328914
Energy: 1.6865482436626966
Energy: 1.6677792013328914
Energy: 1.540781426834779
Energy: 1.3723001749315533
Energy: 1.540614986800445
Energy: 1.372300174933523
Energy: 1.5407814268411364
Energy: 1.3723001749330308
Energy: 1.5678173081987061
Energy: 1.6197527239108374
Energy: 1.5678173082006759
Energy: 1.6197527238734102
Energy: 1.5678173081991984
Energy: 1.6197527239142848
Energy: 1.6833990704344408
Energy: 1.485974970191486
Energy: 1.6833990704334558
Energy: 1.485974970187054
Energy: 1.6833990704309936
Energy: 1.4859749701875462
Energy: 1.6231843442357097
Energy: 1.5640966061959682
Energy: 1.6231843442322627
Energy: 1.564096606200893
Energy: 1.6231843442337401
Energy: 1.5640966062004007
Energy: 1.6214535805919261
Energy: 1.5892409284419928
Energy: 1.6216024981552954
Energy: 1.589240928439038
Energy: 1.6214535805978356
Energy: 1.5892409284405153
Energy: 1.685943026511601
Energy: 1.6624774845334072
Energy: 1.6862285311658949
Energy: 1.6624774845373025
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Energy: 1.6498383736015434
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Energy: 1.7112165568493798
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Energy: 1.6200709570297547
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Energy: 1.6200709570341867
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Energy: 1.6374276413452835
Energy: 1.677528533374855
Energy: 1.6374276413477458
Energy: 1.6775285333778096
Energy: 1.6374276413511932
Energy: 1.6290363913092623
Energy: 1.377432049706427
Energy: 1.6290363912797148
Energy: 1.3774320497113515
Energy: 1.6290363913530468
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Energy: 1.6586739562503545
Energy: 1.5416038512955852
Energy: 1.6586739562538015
Energy: 1.541603851296078
Energy: 1.6586739562508468
Energy: 1.541603851295093
Energy: 1.6857618928113534
Energy: 1.5046477369463205
Energy: 1.6857618928162783
Energy: 1.5046477369463205
Energy: 1.6857618928207105
Energy: 1.5046477369458278
Energy: 1.8213115194228926
Energy: 1.6146265676966223
Energy: 1.8218468390053966
Energy: 1.6146265676867728
Energy: 1.82131151889372
Energy: 1.6146265676872653
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Energy: 1.5337039188474246
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Energy: 1.5336706196583645
Energy: 1.899846481407289
Energy: 1.3706176207303027
Energy: 1.4893330217657568
Energy: 1.3706176207322727
Energy: 1.489333021773636
Energy: 1.3706176207352272
Energy: 1.4893330217741285
Energy: 1.6198089163775333
Energy: 1.3700370397103634
Energy: 1.6198089163868903
Energy: 1.3693718987169647
Energy: 1.6198089144597516
Energy: 1.3695983432591161
Energy: 1.4819708409766597
Energy: 1.6862929820437946
Energy: 1.4819708409722274
Energy: 1.6862929819522416
Energy: 1.481970840969765
Energy: 1.6862929819857289
Energy: 1.6885609950166385
Energy: 1.694269017917684
Energy: 1.5147446081040334
Energy: 1.6942690179137443
Energy: 1.6885609950205782
Energy: 1.6942690179137443
Energy: 1.6888490465311388
Energy: 1.3812455552893874
Energy: 1.51525768603434
Energy: 1.38124555528988
Energy: 1.6888490465331087
Energy: 1.38124555528988
Energy: 1.6439391098559972
Energy: 1.640021015302977
Energy: 1.6439391098427005
Energy: 1.6400210153044545
Energy: 1.6439391098466405
Energy: 1.640021015304947
Energy: 1.357863448075791
Energy: 1.5546128267793156
Energy: 1.3873643486595513
Energy: 1.5546123919777288
Energy: 1.3756990605334154
Energy: 1.5546128269161752
Energy: 1.6578643592681226
Energy: 1.907873008399393
Energy: 1.6578643592681226
Energy: 1.9078717267628569
Energy: 1.657864359280434
Energy: 1.90790180759874
Energy: 1.5348476420952737
Energy: 1.553112332780511
Energy: 1.5348476420962587
Energy: 1.5531123327701692
Energy: 1.5348476420982282
Energy: 1.553112332772139
Energy: 1.580739817604362
Energy: 1.5695831966823197
Energy: 1.5977113891380865
Energy: 1.569583196690199
Energy: 1.5798161465291651
Energy: 1.569583196690199
Energy: 1.6849063718733897
Energy: 1.6687348972331137
Energy: 1.684738314114467
Energy: 1.668734897233606
Energy: 1.6849063718797916
Energy: 1.6687348972331137
Energy: 1.3750331267839413
Energy: 1.5118638858317137
Energy: 1.375033126782464
Energy: 1.5118638858317137
Energy: 1.375033126782464
Energy: 1.5118638858317137
Energy: 1.6191952193309
Energy: 1.6551522106961571
Energy: 1.61919521933287
Energy: 1.6551522106951724
Energy: 1.6191952193289303
Energy: 1.6551522106932024
Energy: 1.4979581392896557
Energy: 1.6863168572093183
Energy: 1.4979581392886705
Energy: 1.6863168571975442
Energy: 1.4979581392871932
Energy: 1.686316857195082
Energy: 1.5154963620519672
Energy: 1.6248760543571945
Energy: 1.5154963620514748
Energy: 1.6248760543527625
Energy: 1.515496362054922
Energy: 1.6248760543562095
Energy: 1.5131300627803532
Energy: 1.3788842817338267
Energy: 1.513130062782323
Energy: 1.3788842817372737
Energy: 1.5131300627828155
Energy: 1.3788842817357965
Energy: 1.553206644148801
Energy: 1.9107099629414657
Energy: 1.5531898404020854
Energy: 1.910709962937526
Energy: 1.5523770636123113
Energy: 1.9107099629365412
Energy: 1.3784779716447102
Energy: 1.618879658461723
Energy: 1.3789422795877755
Energy: 1.6188758883179335
Energy: 1.378526021570892
Energy: 1.6188787524566473
Energy: 1.685480334763761
Energy: 1.5045873186020573
Energy: 1.6854803347228866
Energy: 1.5045873186079668
Energy: 1.6854803347780427
Energy: 1.5045873186069818
Energy: 1.6946546041855393
Energy: 1.5889088113842424
Energy: 1.694654604185047
Energy: 1.5889088113866598
Energy: 1.6946546041840618
Energy: 1.5889088113852272

minimum gb energy = 1.357863448075791 eV
minimum distance =  2.23488534987086 Angstroms
sigma value = 43


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

Energy: 1.677862133183656
Energy: 1.5903164058723507
Energy: 1.6778621331830514
Energy: 1.5903164058723507
Energy: 1.6778621331800267
Energy: 1.5903164058723507
Energy: 1.5105192710598234
Energy: 1.406789128607406
Energy: 1.5105192710598234
Energy: 1.406789128606801
Energy: 1.510519271056799
Energy: 1.406789128606801
Energy: 1.328184708253425
Energy: 1.6891093439646132
Energy: 1.328184708247376
Energy: 1.6891093439640084
Energy: 1.328184708246771
Energy: 1.6891093439652183
Energy: 1.4476310825888692
Energy: 1.4618716478899283
Energy: 1.4476310825882641
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Energy: 1.4476310825888692
Energy: 1.4618716479703528
Energy: 1.577455792408323
Energy: 1.4707564175400292
Energy: 1.5774557924071135
Energy: 1.4716942010464933
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Energy: 1.469230589731526
Energy: 1.440248796829503
Energy: 1.5143963703275891
Energy: 1.4401884829822384
Energy: 1.514396370328194
Energy: 1.4402919975969715
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Energy: 1.5936419167879508
Energy: 1.5899360608291737
Energy: 1.5936419167891605
Energy: 1.5899360608297788
Energy: 1.5936419167891605
Energy: 1.4920313377318606
Energy: 1.38149341447214
Energy: 1.4920313377312557
Energy: 1.381058837081169
Energy: 1.4920313377318606
Energy: 1.3821265189303886
Energy: 1.6022598302557405
Energy: 1.3784540876807319
Energy: 1.6021116691165267
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Energy: 1.60130957362263
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Energy: 1.4182448289438094
Energy: 1.5204369650030312
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Energy: 1.5204369650042409
Energy: 1.4182448287884322
Energy: 1.5204369650030312
Energy: 1.688289234944785
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Energy: 1.688289234944785
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Energy: 1.688289234944785
Energy: 1.469347682669456
Energy: 1.491300887730945
Energy: 1.4871415592512316
Energy: 1.491300887730945
Energy: 1.4859562213606627
Energy: 1.491300887730945
Energy: 1.4854083654968118
Energy: 1.5709645968092876
Energy: 1.5158959310496158
Energy: 1.5707798408152849
Energy: 1.5158959310496158
Energy: 1.5706599297370203
Energy: 1.515895931050798
Energy: 1.3499050152349417
Energy: 1.7623764198179959
Energy: 1.3499050152343368
Energy: 1.7623764198179959
Energy: 1.3499050152355465
Energy: 1.762376419817391
Energy: 1.4399907481214664
Energy: 1.5331070202949555
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Energy: 1.5331069960890829
Energy: 1.4399907481208618
Energy: 1.5331069713765226
Energy: 1.4436632492400694
Energy: 1.380434236984833
Energy: 1.4438194917049547
Energy: 1.3797361856183625
Energy: 1.4440823878286029
Energy: 1.3806343540345583
Energy: 1.4483597357617908
Energy: 1.3574973415344826
Energy: 1.4481212537443966
Energy: 1.3574973415338776
Energy: 1.4483992803464267
Energy: 1.3574973415344826
Energy: 1.7924750389807385
Energy: 1.5565836198526406
Energy: 1.7924750389813435
Energy: 1.5565836198526406
Energy: 1.7924750389807385
Energy: 1.5565836198532457
Energy: 1.6947312775798673
Energy: 1.5153495243719906
Energy: 1.6947312775816818
Energy: 1.5153495243719906
Energy: 1.6947312775798673
Energy: 1.5153495243719906
Energy: 1.4812155749262255
Energy: 1.5049746709056442
Energy: 1.4592137808347871
Energy: 1.5049746709062493
Energy: 1.4591189797577024
Energy: 1.5049746709062493
Energy: 1.444712296151593
Energy: 1.4708137212718149
Energy: 1.4448759115367902
Energy: 1.4708137212718149
Energy: 1.4448840647744623
Energy: 1.4708137212718149
Energy: 1.5879592506213855
Energy: 1.3493946566161958
Energy: 1.587959250625015
Energy: 1.3493902353242695
Energy: 1.58795925062562
Energy: 1.3495239671155588
Energy: 1.3486652559726109
Energy: 1.5311568450514261
Energy: 1.3486652559720058
Energy: 1.5311568450484017
Energy: 1.3486652559720058
Energy: 1.5311568450496116
Energy: 1.570128279269679
Energy: 1.5163631045620105
Energy: 1.5694511002642453
Energy: 1.5163631045620105
Energy: 1.5703768167402594
Energy: 1.5163631045620105
Energy: 1.4890582214110282
Energy: 1.514740107167645
Energy: 1.4890582214116328
Energy: 1.514740107167645
Energy: 1.4890582214116328
Energy: 1.514740107167645
Energy: 1.588634730688895
Energy: 1.5803548740755395
Energy: 1.5886347306882902
Energy: 1.5803548740755395
Energy: 1.5886347306882902
Energy: 1.5803548740779592
Energy: 1.4991462852634962
Energy: 1.4066603466333725
Energy: 1.4991447123746
Energy: 1.4066603466345824
Energy: 1.49914684427561
Energy: 1.4066603466315577
Energy: 1.4793288520694203
Energy: 1.3779118882135193
Energy: 1.4795313465609703
Energy: 1.3779118882129147
Energy: 1.4792980504076363
Energy: 1.3779118882129147
Energy: 1.4889061737770555
Energy: 1.3821030841516155
Energy: 1.48890617377766
Energy: 1.3821663682481378
Energy: 1.4889061737782652
Energy: 1.3812907758500415
Energy: 1.6172228382514384
Energy: 1.651558452056414
Energy: 1.6172228382508338
Energy: 1.651558452057019
Energy: 1.6172228382520435
Energy: 1.651558452055809
Energy: 1.438554824886136
Energy: 1.515004686544866
Energy: 1.43864110689302
Energy: 1.515004686545471
Energy: 1.4387216489061367
Energy: 1.515004686545471

minimum gb energy = 1.328184708246771 eV
minimum distance =  2.31054243874942 Angstroms
sigma value = 57


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

Energy: 1.6376711136165454
Energy: 1.505148921934832
Energy: 1.637671113615762
Energy: 1.505148921934832
Energy: 1.637671113622028
Energy: 1.505148921934832
Energy: 1.5723213814474328
Energy: 1.3324960072671868
Energy: 1.5723213814458665
Energy: 1.3324960072734524
Energy: 1.5723213814458665
Energy: 1.3324960072742356
Energy: 1.6174041086771478
Energy: 1.7396618425315844
Energy: 1.6174041086802806
Energy: 1.7396618425308013
Energy: 1.6174041086779314
Energy: 1.7396618425315844
Energy: 1.5355165265644939
Energy: 1.3202326141975322
Energy: 1.5355165265668436
Energy: 1.321686186174759
Energy: 1.5355165265691932
Energy: 1.3195404583545705
Energy: 1.4838611872584693
Energy: 1.330943393489095
Energy: 1.4838611872584693
Energy: 1.3300462788124192
Energy: 1.4838611872600356
Energy: 1.3316959158406947
Energy: 1.4941887662536368
Energy: 1.3294404938366893
Energy: 1.4942073246617922
Energy: 1.3294404938374726
Energy: 1.4942188324665515
Energy: 1.3294404938359061
Energy: 1.565453649174495
Energy: 1.5818361444525242
Energy: 1.5654536491752782
Energy: 1.58183614445879
Energy: 1.5654536491760613
Energy: 1.581836144483034
Energy: 1.535175624528096
Energy: 1.5174195600172546
Energy: 1.5351756245304458
Energy: 1.5174195600180376
Energy: 1.535175624531229
Energy: 1.5174195600172546
Energy: 1.5133839259696396
Energy: 1.3313371471535085
Energy: 1.5133839259696396
Energy: 1.3313371471589552
Energy: 1.5133839259696396
Energy: 1.3313371471581723
Energy: 1.2370679778004194
Energy: 1.570915622251839
Energy: 1.2370679778004194
Energy: 1.570915622251839
Energy: 1.2370679778004194
Energy: 1.570915622251839
Energy: 1.5650134898419985
Energy: 1.3225160682524955
Energy: 1.5650134898419985
Energy: 1.31922236658709
Energy: 1.5650134898419985
Energy: 1.322442807397833
Energy: 1.734222190390365
Energy: 1.4222175208582006
Energy: 1.7342221903895823
Energy: 1.4227566072228421
Energy: 1.7342221903895823
Energy: 1.4204332706257323
Energy: 1.220997408139177
Energy: 1.3307267548305641
Energy: 1.2207470798082782
Energy: 1.3307267548313473
Energy: 1.235242941896596
Energy: 1.3307267548321307
Energy: 1.575351905571727
Energy: 1.3327011483131503
Energy: 1.5753519055020564
Energy: 1.3327011483092341
Energy: 1.5753519055200704
Energy: 1.3327011483131503
Energy: 1.3918497212472398
Energy: 1.3289659456708425
Energy: 1.3918497212448904
Energy: 1.3289659456747585
Energy: 1.3918497212433238
Energy: 1.3289659456716256
Energy: 1.732930479081345
Energy: 1.5764106271461245
Energy: 1.7329304790829112
Energy: 1.5764106271469078
Energy: 1.7329304790805615
Energy: 1.5764106271469078
Energy: 1.2392746768689744
Energy: 1.5250442079194069
Energy: 1.2392746768705407
Energy: 1.525044207918624
Energy: 1.2392746768689744
Energy: 1.5250442079194069
Energy: 1.5631957731044066
Energy: 1.2344352432147045
Energy: 1.5631957731012736
Energy: 1.234435243188075
Energy: 1.56319577310284
Energy: 1.2344352432201513
Energy: 1.2381463107166195
Energy: 1.5251695366050513
Energy: 1.2381463107134867
Energy: 1.5251695366058342
Energy: 1.2381463107158361
Energy: 1.5251695366058342
Energy: 1.7328472838625337
Energy: 1.5759149610839922
Energy: 1.7328472838617501
Energy: 1.5759149610808594
Energy: 1.7328472838625337
Energy: 1.5759149610855587
Energy: 1.3927543272879241
Energy: 1.3285944206341722
Energy: 1.3927543272941898
Energy: 1.3285944206294729
Energy: 1.3927543272941898
Energy: 1.3285944206279061
Energy: 1.5758951626651607
Energy: 1.5661950434305796
Energy: 1.5758951631348777
Energy: 1.5661950434305796
Energy: 1.5758951628569422
Energy: 1.5661950434305796
Energy: 1.2356837183099842
Energy: 1.3299996347650787
Energy: 1.219841138889514
Energy: 1.3299996347650787
Energy: 1.2342675708624355
Energy: 1.329999634766645
Energy: 1.7339816933078953
Energy: 1.4232912342817918
Energy: 1.7339816933063288
Energy: 1.4240513791406413
Energy: 1.7339816933071122
Energy: 1.4233784549373227

minimum gb energy = 1.219841138889514 eV
minimum distance =  2.32582522762085 Angstroms
sigma value = 17


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

Energy: 1.3943172689426222
Energy: 1.3393949741436697
Energy: 1.3943172689426222
Energy: 1.3393949741447775
Energy: 1.3943172689426222
Energy: 1.3393949741436697
Energy: 1.346786780910628
Energy: 1.3212452224169327
Energy: 1.3467867809095202
Energy: 1.3212452224191478
Energy: 1.3467867809095202
Energy: 1.3212452224169327
Energy: 1.376461731884735
Energy: 1.600122954209446
Energy: 1.3764596441337815
Energy: 1.6001229542083382
Energy: 1.3764230204038443
Energy: 1.600122954209446
Energy: 1.2041019964849289
Energy: 1.3095702261831017
Energy: 1.2041019964827135
Energy: 1.3108130472268102
Energy: 1.204101996483821
Energy: 1.3109424652614061
Energy: 1.1696479794213175
Energy: 1.4189980652824221
Energy: 1.1708758105813581
Energy: 1.4189047755599964
Energy: 1.1694683201332103
Energy: 1.418470128881922
Energy: 1.194568980640178
Energy: 1.5891535955137805
Energy: 1.1950004002935144
Energy: 1.589153595512673
Energy: 1.1945013762978027
Energy: 1.589153595514888
Energy: 1.4419657212590251
Energy: 1.3756138394662205
Energy: 1.4419657212590251
Energy: 1.375613839465113
Energy: 1.4419657212590251
Energy: 1.37561383946179
Energy: 1.204334787799034
Energy: 1.4620299234481098
Energy: 1.2043347877979267
Energy: 1.462029923456971
Energy: 1.2043347877979267
Energy: 1.4620299234547554
Energy: 1.1892277959648405
Energy: 1.4460468825708628
Energy: 1.1891092472606846
Energy: 1.446046882569755
Energy: 1.1887927149048483
Energy: 1.4460468825686472
Energy: 1.4200245413798838
Energy: 1.3199857770511991
Energy: 1.4200245413798838
Energy: 1.3199857770478765
Energy: 1.4200245413798838
Energy: 1.3199857770500916
Energy: 1.3947652053140909
Energy: 1.3128629738003976
Energy: 1.3947652053129833
Energy: 1.31286297379929
Energy: 1.3947652053140909
Energy: 1.3128629738003976
Energy: 1.3628099923090806
Energy: 1.3182026433024765
Energy: 1.3628099923101884
Energy: 1.3182026433013687
Energy: 1.3628099923057575
Energy: 1.318202643303584
Energy: 1.2044073142270542
Energy: 1.4504273551262685
Energy: 1.2044073142237313
Energy: 1.450427355127376
Energy: 1.2044073142259466
Energy: 1.4504273551262685
Energy: 1.417597637718593
Energy: 1.3572102735856753
Energy: 1.417597637718593
Energy: 1.3572097919220445
Energy: 1.417597637718593
Energy: 1.357208885692428
Energy: 1.3245589834925957
Energy: 1.2487144756283164
Energy: 1.3243680253171004
Energy: 1.2487144756294237
Energy: 1.3244836228229762
Energy: 1.2487144756283164
Energy: 1.188150917073577
Energy: 1.4557988670431705
Energy: 1.1883707028631176
Energy: 1.455798867044278
Energy: 1.1880294274509713
Energy: 1.455798867044278
Energy: 1.4156213569229332
Energy: 1.5017544071461433
Energy: 1.4156213569229332
Energy: 1.501754407152789
Energy: 1.415621356924041
Energy: 1.5017544071461433

minimum gb energy = 1.1694683201332103 eV
minimum distance =  2.25696302020049 Angstroms
sigma value = 17


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

Energy: 1.2605097521862807
Energy: 1.3279779056524432
Energy: 1.2605097521867081
Energy: 1.3279779056528709
Energy: 1.260509752187136
Energy: 1.3279779056520153
Energy: 1.2679788372315168
Energy: 1.2794350402604027
Energy: 1.2679788372289504
Energy: 1.2794350402604027
Energy: 1.2679788372289504
Energy: 1.2794350402604027
Energy: 1.3485754707858821
Energy: 1.4009322846824173
Energy: 1.348575473701289
Energy: 1.4009322846824173
Energy: 1.3485754654779871
Energy: 1.4009322846819894
Energy: 1.1502764963739733
Energy: 1.4343286696952249
Energy: 1.1502764963739733
Energy: 1.4343286696879536
Energy: 1.1502764963735457
Energy: 1.4343286696952249
Energy: 1.283290602224259
Energy: 1.275746080511937
Energy: 1.2832906022225479
Energy: 1.2757460805136478
Energy: 1.2832906022216928
Energy: 1.2757460805136478
Energy: 1.3557018655792927
Energy: 1.3214159522398459
Energy: 1.3557018655061899
Energy: 1.3214159522398459
Energy: 1.3557018654895083
Energy: 1.3214159522402738
Energy: 1.2689695970031643
Energy: 1.376562547464619
Energy: 1.2689695970010257
Energy: 1.3765625474663299
Energy: 1.2689695970031643
Energy: 1.3765625474744567
Energy: 1.3615989768401962
Energy: 1.3611097166038943
Energy: 1.3615989768461843
Energy: 1.3611097166056054
Energy: 1.3615989768363852
Energy: 1.3611097166081718
Energy: 1.4045555305757853
Energy: 1.3882101051448348
Energy: 1.4045555305804902
Energy: 1.3882101051452622
Energy: 1.404555530577496
Energy: 1.38821010514569
Energy: 1.256971127347809
Energy: 1.2362254813120652
Energy: 1.2569711273525142
Energy: 1.236225481310782
Energy: 1.2569711273520863
Energy: 1.2362254813116373
Energy: 1.1511163531724506
Energy: 1.3293326062435675
Energy: 1.1511163531728785
Energy: 1.3293326062499833
Energy: 1.15111635317074
Energy: 1.3293326062388624
Energy: 1.5247557563642096
Energy: 1.2391876675264877
Energy: 1.5247557563642096
Energy: 1.2391876675264877
Energy: 1.524755756366776
Energy: 1.2391876675269153
Energy: 1.3613219931500127
Energy: 1.2702418171234948
Energy: 1.3613219931504403
Energy: 1.2702418171239227
Energy: 1.361321993149585
Energy: 1.2702418171222116
Energy: 1.3608761433645107
Energy: 1.3283357250154335
Energy: 1.360876143365366
Energy: 1.3283357250150059
Energy: 1.360876143365366
Energy: 1.3283357250150059
Energy: 1.2798414189438985
Energy: 1.2389867911070702
Energy: 1.2798414190178569
Energy: 1.2389867911070702
Energy: 1.2798414189729839
Energy: 1.2389867911070702
Energy: 1.2630681344057042
Energy: 1.3850172501850162
Energy: 1.2630681344039933
Energy: 1.385017250185444
Energy: 1.2630681344052765
Energy: 1.3850172501837332
Energy: 1.3620400409484075
Energy: 1.4466216227941722
Energy: 1.3620400409479796
Energy: 1.4466216227933169
Energy: 1.3620400409471245
Energy: 1.4466216227941722
Energy: 1.4536964525851837
Energy: 1.3908879239568945
Energy: 1.4536964525394165
Energy: 1.390887923956039
Energy: 1.453696452521063
Energy: 1.390887923954328
Energy: 1.4107557499857777
Energy: 1.34634273572786
Energy: 1.4107557499827836
Energy: 1.3463427357282878
Energy: 1.4107557499874885
Energy: 1.3463427357274325
Energy: 1.3611741858814927
Energy: 1.2340708997551966
Energy: 1.3611741858844866
Energy: 1.2340708997556242
Energy: 1.3611741858844866
Energy: 1.2340708997551966
Energy: 1.4112735032163093
Energy: 1.3461351553444973
Energy: 1.411273503218448
Energy: 1.3461351553432142
Energy: 1.411273503215026
Energy: 1.3461351553444973
Energy: 1.4537735862065115
Energy: 1.3911290382216808
Energy: 1.4537735861423522
Energy: 1.3911290382238195
Energy: 1.4537735866571055
Energy: 1.3911290382221086
Energy: 1.3619309033838165
Energy: 1.4465273919506745
Energy: 1.3619309033855274
Energy: 1.4465273919502468
Energy: 1.3619309033855274
Energy: 1.4465273919502468
Energy: 1.2634360741354396
Energy: 1.4044740915686509
Energy: 1.2634360741341564
Energy: 1.404474091560524
Energy: 1.263436074136295
Energy: 1.4044740915665124
Energy: 1.2798187892921602
Energy: 1.2386281098572571
Energy: 1.2798187891429602
Energy: 1.238628109865384
Energy: 1.279818789376384
Energy: 1.2386281098619623
Energy: 1.3608677756457843
Energy: 1.329495524079489
Energy: 1.3608677756483507
Energy: 1.329495524081628
Energy: 1.3608677756474952
Energy: 1.3294955240803448
Energy: 1.3613689085813798
Energy: 1.2614150743184815
Energy: 1.361368908580952
Energy: 1.2614150743189094
Energy: 1.36136890857928
Energy: 1.2614150743214758
Energy: 1.5245075254875324
Energy: 1.330086610923541
Energy: 1.5245075254892433
Energy: 1.3300866109231135
Energy: 1.5245075254871046
Energy: 1.3300866109239688
Energy: 1.1498248991469773
Energy: 1.3289705872826396
Energy: 1.1498248991448388
Energy: 1.3289705872976103
Energy: 1.1498248991465496
Energy: 1.328970587286917
Energy: 1.2568077836615528
Energy: 1.2362078537991583
Energy: 1.2568077836645082
Energy: 1.2362078538000136
Energy: 1.2568077836649356
Energy: 1.2362078537995858
Energy: 1.4044562652260462
Energy: 1.3875523533153522
Energy: 1.4044562652269015
Energy: 1.3875523533136414
Energy: 1.4044562652230521
Energy: 1.3875523533149243
Energy: 1.3604020949621412
Energy: 1.3628923941045585
Energy: 1.3604020949565807
Energy: 1.3628923941028475
Energy: 1.360402094965991
Energy: 1.3628923941105466
Energy: 1.2566466050437868
Energy: 1.3765417459196079
Energy: 1.256646605041648
Energy: 1.3765417459106255
Energy: 1.256646605041648
Energy: 1.376541745932012
Energy: 1.3557899672693043
Energy: 1.2831054034440577
Energy: 1.3557899673569502
Energy: 1.2831054034440577
Energy: 1.3557899673736318
Energy: 1.2831054034444855
Energy: 1.28362574820114
Energy: 1.275781221352922
Energy: 1.2836257481972906
Energy: 1.2757812213533495
Energy: 1.2836257482002846
Energy: 1.2757812213533495
Energy: 1.150147752649978
Energy: 1.462729427358678
Energy: 1.1501477526504058
Energy: 1.4627294273591058
Energy: 1.1501477526512611
Energy: 1.4627294273612446
Energy: 1.3485916226864074
Energy: 1.4009867781345178
Energy: 1.3485916616660554
Energy: 1.40098677813409
Energy: 1.34859152176175
Energy: 1.4009867781349454
Energy: 1.2676795450886946
Energy: 1.2794496358499143
Energy: 1.26767954508955
Energy: 1.2794496358499143
Energy: 1.26767954508955
Energy: 1.279449635849059
Energy: 1.260509752182003
Energy: 1.327977905659287
Energy: 1.260509752182003
Energy: 1.3279779056597145
Energy: 1.2605097521815753
Energy: 1.327977905659287
Energy: 1.2679788372195793
Energy: 1.3044620460234122
Energy: 1.2679788372191516
Energy: 1.3044620460229843
Energy: 1.267978837221718
Energy: 1.3044620460229843
Energy: 1.348575465838408
Energy: 1.4009322846879777
Energy: 1.3485754678290243
Energy: 1.400932284689261
Energy: 1.348575467690945
Energy: 1.400932284688833
Energy: 1.1502764963791061
Energy: 1.434328669702924
Energy: 1.1502764963803893
Energy: 1.434328669691803
Energy: 1.1502764963799619
Energy: 1.434328669696508
Energy: 1.2832906022238313
Energy: 1.275746080508943
Energy: 1.283290602217843
Energy: 1.2757460805097982
Energy: 1.283290602240474
Energy: 1.275746080510226

minimum gb energy = 1.1498248991448388 eV
minimum distance =  2.2837592817966 Angstroms
sigma value = 57


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

Energy: 1.2428922166990968
Energy: 1.2125491169663836
Energy: 1.242892216701186
Energy: 1.2125491169670801
Energy: 1.2428922166970076
Energy: 1.2125491169663836
Energy: 1.2042487762161853
Energy: 1.1897513171380567
Energy: 1.204248776212703
Energy: 1.1897513171387535
Energy: 1.2042487762161853
Energy: 1.1897513171387535
Energy: 1.2492758079223862
Energy: 1.2903454283807259
Energy: 1.1618443591945504
Energy: 1.2903454283793332
Energy: 1.2492630443628094
Energy: 1.2903454283793332
Energy: 1.2255943694242932
Energy: 1.3438904505747533
Energy: 1.2255943694229001
Energy: 1.3438904505733602
Energy: 1.2255943694242932
Energy: 1.3438904505733602
Energy: 1.204858044709483
Energy: 1.1269277151325017
Energy: 1.2048580447310728
Energy: 1.1269277151325017
Energy: 1.2048580447066972
Energy: 1.126927715133198
Energy: 1.3782014769335853
Energy: 1.1986151768490063
Energy: 1.3782014769342816
Energy: 1.1986151768490063
Energy: 1.378201476936371
Energy: 1.1986151768490063
Energy: 1.1419591510046345
Energy: 1.302660841506934
Energy: 1.141959151003938
Energy: 1.3026608415076304
Energy: 1.1419591510011522
Energy: 1.3026608415076304
Energy: 1.2305654374442454
Energy: 1.269479009503079
Energy: 1.2305654374428523
Energy: 1.2694784010971685
Energy: 1.2305654374442454
Energy: 1.2694729382635928
Energy: 1.2289509058081347
Energy: 1.2007527301819743
Energy: 1.2289509058102241
Energy: 1.2007527301812777
Energy: 1.2289509058088315
Energy: 1.2007527301812777
Energy: 1.2174611632259718
Energy: 1.2522699310006458
Energy: 1.2174611632273646
Energy: 1.2522699310013423
Energy: 1.2174611632252754
Energy: 1.2522699310006458
Energy: 1.1413586313604016
Energy: 1.2769783273338144
Energy: 1.1413586313624913
Energy: 1.2769783273212783
Energy: 1.1413586313610984
Energy: 1.2769783273372965
Energy: 1.2820919277823855
Energy: 1.1538886236218882
Energy: 1.2820919277830818
Energy: 1.1538886236218882
Energy: 1.2820919277823855
Energy: 1.1538886236218882
Energy: 1.2139611190852315
Energy: 1.2963981830381694
Energy: 1.2139611190852315
Energy: 1.2963981830402587
Energy: 1.2139611190824457
Energy: 1.2963981830374727
Energy: 1.1666664968184923
Energy: 1.2751213136302662
Energy: 1.1666664968205815
Energy: 1.2751213136302662
Energy: 1.1666664968191889
Energy: 1.2751213136295698
Energy: 1.3587834373040109
Energy: 1.2253562076213345
Energy: 1.3587834373033145
Energy: 1.2253562076220308
Energy: 1.3587834373033145
Energy: 1.2253562076213345
Energy: 1.2105645746508182
Energy: 1.2000917903236803
Energy: 1.2105645746452467
Energy: 1.200091790322984
Energy: 1.2105645746494251
Energy: 1.200091790326466
Energy: 1.2557828810975054
Energy: 1.3462991314723272
Energy: 1.2557828810968088
Energy: 1.3462991314716306
Energy: 1.2557828810988982
Energy: 1.3462991314716306
Energy: 1.197612706128915
Energy: 1.2796414358361299
Energy: 1.1976127061337902
Energy: 1.2796414358354335
Energy: 1.1976127061337902
Energy: 1.2796414358361299
Energy: 1.1815088838578953
Energy: 1.2643227773041967
Energy: 1.1815088838585919
Energy: 1.2643227773035004
Energy: 1.1815088838571988
Energy: 1.2643227772993217
Energy: 1.1666801994367413
Energy: 1.3345808015512668
Energy: 1.166680199439527
Energy: 1.3345808015519633
Energy: 1.1666801994367413
Energy: 1.3345808015519633
Energy: 1.2462438764346389
Energy: 1.2695890112301567
Energy: 1.2462438764402104
Energy: 1.2695890112266743
Energy: 1.2462438764422996
Energy: 1.2695890112287638
Energy: 1.1419670256367358
Energy: 1.266357044250333
Energy: 1.1419670256353431
Energy: 1.266357044250333
Energy: 1.1419670256346468
Energy: 1.266357044248244
Energy: 1.2558988688600996
Energy: 1.2837980317151998
Energy: 1.2558988688614923
Energy: 1.2837980317158963
Energy: 1.2558988688621886
Energy: 1.2837980317151998
Energy: 1.2611026398954095
Energy: 1.2634647984818654
Energy: 1.2611026399135172
Energy: 1.263464798477687
Energy: 1.2611026398557121
Energy: 1.263464798483195
Energy: 1.2603708018480297
Energy: 1.502928840398063
Energy: 1.2603707784731306
Energy: 1.502928840398063
Energy: 1.2603707613453567
Energy: 1.5029288403973664
Energy: 1.2102007631986718
Energy: 1.2820219174372538
Energy: 1.2102007631965823
Energy: 1.2820219174379501
Energy: 1.2102007631951894
Energy: 1.2820219174379501
Energy: 1.1568490368811328
Energy: 1.2636434199299569
Energy: 1.1568490368818294
Energy: 1.2636434199299569
Energy: 1.1568490368832223
Energy: 1.2636434199299569

minimum gb energy = 1.1269277151325017 eV
minimum distance =  2.27080207040294 Angstroms
sigma value = 43


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

Energy: 1.1364403666096428
Energy: 1.062933039470852
Energy: 1.13644036661218
Energy: 1.062933039470852
Energy: 1.1364403666106577
Energy: 1.0629330394703445
Energy: 1.0530273293417942
Energy: 1.063068772420934
Energy: 1.0530273293397645
Energy: 1.0630687724214414
Energy: 1.0530273293423018
Energy: 1.063068772420934
Energy: 1.1455227728498512
Energy: 1.1478747339201065
Energy: 1.1455227728518806
Energy: 1.147874733919599
Energy: 1.1455227728513733
Energy: 1.147874733919599
Energy: 1.0810546597238493
Energy: 1.1250334785739013
Energy: 1.0810546597253716
Energy: 1.1250334785723792
Energy: 1.0810546597228345
Energy: 1.125033478574409
Energy: 1.0535814225356637
Energy: 0.9958176153502669
Energy: 1.053581422539723
Energy: 0.9958176153497595
Energy: 1.0535814225422602
Energy: 0.9958176153507745
Energy: 1.1084276015717174
Energy: 1.0515243136616113
Energy: 1.1084276015701948
Energy: 1.0515243136621188
Energy: 1.1084276015707024
Energy: 1.0515243136621188
Energy: 1.0566141696698503
Energy: 1.1021162320627502
Energy: 1.056614169668328
Energy: 1.1021162320622429
Energy: 1.0566141696688354
Energy: 1.102116232061228
Energy: 1.0558139350301847
Energy: 1.0077067520374097
Energy: 1.055813935035259
Energy: 1.0077067520374097
Energy: 1.055813935026125
Energy: 1.0077067520399468
Energy: 1.0638945323726865
Energy: 1.0358416984367127
Energy: 1.063894532375224
Energy: 1.0358416984367127
Energy: 1.063894532375224
Energy: 1.0358416984367127
Energy: 1.1721260488325393
Energy: 1.0540806145793105
Energy: 1.1721260488325393
Energy: 1.0540806145762658
Energy: 1.1721260488315246
Energy: 1.0540806145782955
Energy: 1.1591648073772691
Energy: 1.1369929585784315
Energy: 1.159164807374732
Energy: 1.1369929585784315
Energy: 1.1591648073757468
Energy: 1.136992958576402
Energy: 1.0132353007385286
Energy: 1.038606998088734
Energy: 1.0132353007425883
Energy: 1.0386069980892414
Energy: 1.013235300740051
Energy: 1.038606998089749
Energy: 1.1710190091183057
Energy: 1.00272108558274
Energy: 1.1710190091177983
Energy: 1.0027210855852768
Energy: 1.1710190091177983
Energy: 1.0027210855837547
Energy: 1.0582722858359148
Energy: 1.1330931139978917
Energy: 1.0582722858359148
Energy: 1.1330931139978917
Energy: 1.0582722858359148
Energy: 1.1330931139994138
Energy: 1.0498312015019071
Energy: 1.0229257224482753
Energy: 1.0498312015044444
Energy: 1.0229257224482753
Energy: 1.0498312015024145
Energy: 1.0229257224482753
Energy: 1.0925524330650627
Energy: 1.0690280485132846
Energy: 1.0925524330660776
Energy: 1.069028048513792
Energy: 1.0925524330660776
Energy: 1.069028048513792
Energy: 1.0641497471090862
Energy: 1.1229736803092198
Energy: 1.06414974710761
Energy: 1.1229736803066823
Energy: 1.0641497471090862
Energy: 1.1229736803056678
Energy: 1.0755314988433256
Energy: 1.0262838105175776
Energy: 1.0755314988478923
Energy: 1.0262838105175776
Energy: 1.075531498845355
Energy: 1.0262838105175776
Energy: 1.0024924133963717
Energy: 1.146071300504255
Energy: 1.0024924133984014
Energy: 1.146071300504255
Energy: 1.0024924133984014
Energy: 1.146071300504255
Energy: 1.0561834619109616
Energy: 1.0152931345789942
Energy: 1.0561834619140065
Energy: 1.0152931345795018
Energy: 1.0561834619114692
Energy: 1.0152931345795018
Energy: 1.1452488426448575
Energy: 1.0609763940661778
Energy: 1.1452488426443501
Energy: 1.060976394066685
Energy: 1.1452488426433354
Energy: 1.060976394066685
Energy: 1.094983119312975
Energy: 1.151423156054258
Energy: 1.0949831193109454
Energy: 1.151423156054258
Energy: 1.0949831193114528
Energy: 1.151423156054258
Energy: 1.0919631885572798
Energy: 1.1420499163744882
Energy: 1.0919631885557575
Energy: 1.1420499163734732
Energy: 1.0919631885567724
Energy: 1.1420499163739806
Energy: 1.094221416184504
Energy: 1.0602866420227606
Energy: 1.0942214161839967
Energy: 1.0602866420242365
Energy: 1.0942214161824746
Energy: 1.0602866420242365
Energy: 1.0017095461014847
Energy: 1.006356293702048
Energy: 1.0017095460999623
Energy: 1.0063562937025554
Energy: 1.0017095461014847
Energy: 1.006356293703063
Energy: 1.0260057118341874
Energy: 1.1196056169410402
Energy: 1.026005711834695
Energy: 1.1196056169410402
Energy: 1.0260057118352026
Energy: 1.1196056169410402
Energy: 1.0749188781949632
Energy: 1.0220538279814648
Energy: 1.0749188781929333
Energy: 1.0220538279814648
Energy: 1.074918878192426
Energy: 1.0220538279789277
Energy: 0.9512313242713827
Energy: 1.0109694748364026
Energy: 0.9512313242698603
Energy: 1.0109694748369102
Energy: 0.9512313242729049
Energy: 1.01096947483894
Energy: 1.0258450350952493
Energy: 1.0639258033044299
Energy: 1.0258450350952493
Energy: 1.0639258033044299
Energy: 1.025845035093727
Energy: 1.0639258033044299
Energy: 1.0437474070438582
Energy: 1.0050967730987586
Energy: 1.043747407045888
Energy: 1.005096773098251
Energy: 1.0437474070443655
Energy: 1.005096773099266
Energy: 0.9268345518605077
Energy: 1.0108308941148987
Energy: 0.9268345518594928
Energy: 1.010830894117436
Energy: 0.9268345518605077
Energy: 1.0108308941143913
Energy: 1.0267002748492204
Energy: 1.0299035329485873
Energy: 1.0267002748507426
Energy: 1.0299035329485873
Energy: 1.0267002748502352
Energy: 1.0299035329485873
Energy: 1.0086074118040054
Energy: 1.0062413390127396
Energy: 1.0086074117984238
Energy: 1.006241339012232
Energy: 1.0086074117979165
Energy: 1.0062413390127396
Energy: 1.15985790730628
Energy: 1.1367689349090684
Energy: 1.1598579073067874
Energy: 1.1367689349095758
Energy: 1.1598579073072952
Energy: 1.1367689349095758
Energy: 1.0285277333578124
Energy: 0.9970987254941973
Energy: 1.0285277333573049
Energy: 0.9970987254941973
Energy: 1.0285277333567975
Energy: 0.9970987254941973
Energy: 0.9266267469972291
Energy: 1.0070654010969458
Energy: 0.9266267469967218
Energy: 1.0070654010999902
Energy: 0.9266267469987514
Energy: 1.0070654010989757

minimum gb energy = 0.9266267469967218 eV
minimum distance =  2.25135233059792 Angstroms
sigma value = 81


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

Energy: 0.7452898425637805
Energy: 0.8026710329326696
Energy: 0.01859725162714633
Energy: 0.802671032934534
Energy: 0.7452898425637805
Energy: 0.8026710329326696
Energy: 1.622832823366893
Energy: 0.019950573877401085
Energy: 1.622832823366893
Energy: 0.01995057387367222
Energy: 1.622832823366893
Energy: 0.019950573875536653
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.7501885974469384
Energy: 0.019386749994829425
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.01859725162714633
Energy: 0.8026710329308052
Energy: 0.01859725162714633
Energy: 0.8026710329308052
Energy: 0.01859725162714633
Energy: 0.8026710329326696
Energy: 1.6228328233632063
Energy: 0.01995057385689234
Energy: 1.6228328233632063
Energy: 0.01995057385875677
Energy: 1.6228328233613416
Energy: 0.01995057385689234
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.7452898425637805
Energy: 0.8026710329326696
Energy: 0.01859725162714633
Energy: 0.8026710329326696
Energy: 0.7452898425619161
Energy: 0.8026710329326696
Energy: 1.6228328233650708
Energy: 0.019950573841976887
Energy: 1.622832823366893
Energy: 0.01995057384384132
Energy: 1.6228328233650708
Energy: 0.019950573838248026
Energy: 0.7501885974432095
Energy: 0.019386749994829425
Energy: 0.7501885974450739
Energy: 0.019386749994829425
Energy: 0.7501885974432095
Energy: 0.01938674999296499
Energy: 0.01859725162714633
Energy: 0.8026710329326696
Energy: 0.01859725162714633
Energy: 0.8026710329308052
Energy: 0.01859725162714633
Energy: 0.8026710329326696

minimum gb energy = 0.01859725162714633 eV
minimum distance =  2.40430056915625 Angstroms
sigma value = 3


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

Energy: 0.8392379389269828
Energy: 0.9037959300344967
Energy: 0.8392379389286565
Energy: 0.9037959300344967
Energy: 0.8392379389269828
Energy: 0.9037959300339389
Energy: 0.7274480036723866
Energy: 0.799630639976407
Energy: 0.7274480036718287
Energy: 0.7996306399758492
Energy: 0.7274480036707127
Energy: 0.799630639976407
Energy: 0.8719004774707537
Energy: 0.8018306126905369
Energy: 0.8719004774713116
Energy: 0.8018306126905369
Energy: 0.8719004774713116
Energy: 0.8018306126905369
Energy: 0.7958367310787715
Energy: 0.8495205432871625
Energy: 0.7958367310770977
Energy: 0.8495205432877205
Energy: 0.7958367310787715
Energy: 0.8495205432871625
Energy: 0.7611786800786575
Energy: 0.7974267388060466
Energy: 0.7611786800775416
Energy: 0.7974267388071624
Energy: 0.7611786800786575
Energy: 0.7974267388066045
Energy: 0.8626324742491445
Energy: 0.8114047539633285
Energy: 0.8626324742480287
Energy: 0.8114047539633285
Energy: 0.8626324742480287
Energy: 0.8114047539627705
Energy: 0.8185310532170226
Energy: 0.8414682084670533
Energy: 0.8185310532181386
Energy: 0.8414682084709589
Energy: 0.8185310532170226
Energy: 0.8414682084748645
Energy: 0.7589803778872314
Energy: 0.7959222745576772
Energy: 0.7589803778861154
Energy: 0.7959222745576772
Energy: 0.7589803778883473
Energy: 0.7959222745576772
Energy: 0.8791919543959855
Energy: 0.835193533505029
Energy: 0.8791919543965435
Energy: 0.835193533505029
Energy: 0.8791919543948695
Energy: 0.835193533505587
Energy: 0.8195330471632426
Energy: 0.8342621326803183
Energy: 0.8195330471621267
Energy: 0.8342621326792026
Energy: 0.8195330471632426
Energy: 0.8342621326808765
Energy: 0.8095367769835752
Energy: 0.794969708378135
Energy: 0.8095367769813434
Energy: 0.7949697083770192
Energy: 0.8095367769819015
Energy: 0.7949697083770192
Energy: 0.897496690039467
Energy: 0.8896087127266405
Energy: 0.8974966900389091
Energy: 0.8896087127294303
Energy: 0.8974966900389091
Energy: 0.8896087127277565
Energy: 0.7957854452526404
Energy: 0.7853418703330705
Energy: 0.7957854452531983
Energy: 0.7853418703325126
Energy: 0.7957854452537562
Energy: 0.7853418703330705
Energy: 0.8392554058567416
Energy: 0.7638289393069255
Energy: 0.8392554058634368
Energy: 0.7638289393063677
Energy: 0.8392554058612053
Energy: 0.7638289393069255
Energy: 0.8313429824047548
Energy: 0.866689887718527
Energy: 0.8313429824064287
Energy: 0.8666898877168531
Energy: 0.8313429824041969
Energy: 0.8666898877174112
Energy: 0.7969152988461377
Energy: 0.7693436686339326
Energy: 0.7969152988461377
Energy: 0.7693436686344906
Energy: 0.7969152988466957
Energy: 0.7693436686344906
Energy: 0.8524343853824314
Energy: 0.8743353134745784
Energy: 0.8524343853824314
Energy: 0.8743353134751365
Energy: 0.8524343853824314
Energy: 0.8743353134756943
Energy: 0.8512171950287059
Energy: 0.8172896990093784
Energy: 0.8512171950287059
Energy: 0.8172896990088205
Energy: 0.8512171950270322
Energy: 0.8172896990093784
Energy: 0.798744222845804
Energy: 0.7458870146154283
Energy: 0.798744222846362
Energy: 0.7458870146154283
Energy: 0.7987442228452462
Energy: 0.7458870146154283
Energy: 0.8256893262505919
Energy: 0.8852103341620965
Energy: 0.8256893262511499
Energy: 0.8852103341615384
Energy: 0.8256893262500339
Energy: 0.8852103341604226
Energy: 0.8454799799236823
Energy: 0.6072704016734142
Energy: 0.8454799799231244
Energy: 0.6072704016734142
Energy: 0.8454799799253562
Energy: 0.6072704016750878
Energy: 0.7624835412924859
Energy: 0.8150507943863282
Energy: 0.7624835412941596
Energy: 0.8150507943863282
Energy: 0.7624835412930439
Energy: 0.8150507943857702
Energy: 0.8586618881827836
Energy: 0.7617508292284582
Energy: 0.8586618881900369
Energy: 0.761750829229016
Energy: 0.8586618881844574
Energy: 0.7617508292295742
Energy: 0.8498654182908245
Energy: 0.6095441112270437
Energy: 0.8498654182919405
Energy: 0.6095441112264858
Energy: 0.8498654182919405
Energy: 0.60954411122537
Energy: 0.7963560130133102
Energy: 0.850377839457929
Energy: 0.796356013013868
Energy: 0.8503778394584869
Energy: 0.7963560130127522
Energy: 0.8503778394584869
Energy: 0.8641833740597421
Energy: 0.7963690851193854
Energy: 0.8641833740608579
Energy: 0.7963690851188274
Energy: 0.8641833740591841
Energy: 0.7963690851188274
Energy: 0.9674204537373144
Energy: 0.7402191221152107
Energy: 0.9674204537367564
Energy: 0.7402191221146528
Energy: 0.9674204537350828
Energy: 0.7402191221146528
Energy: 0.8196191036136157
Energy: 0.8860838068360625
Energy: 0.8196191036141736
Energy: 0.8860838068355044
Energy: 0.8196191036130578
Energy: 0.8860838068366204
Energy: 0.8645384542417677
Energy: 0.7966547944835018
Energy: 0.8645384542400939
Energy: 0.7966547944835018
Energy: 0.8645384542412098
Energy: 0.796654794482944
Energy: 0.9668562119004425
Energy: 0.9278034820154528
Energy: 0.9668562119010005
Energy: 0.9278034820171267
Energy: 0.9668562118993265
Energy: 0.9278034820176846
Energy: 0.9003707173991756
Energy: 0.8822298647477769
Energy: 0.9003707174014072
Energy: 0.8822298647472191
Energy: 0.9003707174025232
Energy: 0.8822298647477769
Energy: 0.8318422788740983
Energy: 0.811386695255068
Energy: 0.8318422788735403
Energy: 0.811386695256184
Energy: 0.831842278875214
Energy: 0.8113866952556259
Energy: 0.8274080184852951
Energy: 0.8754099291717186
Energy: 0.8274080184875269
Energy: 0.8754099291711607
Energy: 0.8274080184858532
Energy: 0.8754099291706027

minimum gb energy = 0.6072704016734142 eV
minimum distance =  2.30931948972517 Angstroms
sigma value = 67


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

Energy: 1.1044918856944226
Energy: 1.0863809270035736
Energy: 1.1044918856928325
Energy: 1.0863809270043687
Energy: 1.1044918856944226
Energy: 1.0863809270027787
Energy: 1.0750633719509797
Energy: 1.088336894886014
Energy: 1.0750633719532923
Energy: 1.088336894886014
Energy: 1.0750633719517746
Energy: 1.088336894885219
Energy: 1.160632774487905
Energy: 1.08695823563984
Energy: 1.1606327744910852
Energy: 1.0869582356382501
Energy: 1.1606327744902902
Energy: 1.0869582356382501
Energy: 1.092161235544421
Energy: 1.1593935122352093
Energy: 1.0921612355452162
Energy: 1.1593935122320291
Energy: 1.0921612355452162
Energy: 1.159393512237594
Energy: 1.0854349008167568
Energy: 1.0881960051013984
Energy: 1.0854349008167568
Energy: 1.0881960051021935
Energy: 1.0854349008159614
Energy: 1.0881960051021935
Energy: 1.1469348912405528
Energy: 1.0858951101033634
Energy: 1.1469348912405528
Energy: 1.0858951101033634
Energy: 1.1469348912397577
Energy: 1.0858951101025685
Energy: 1.0862009617584492
Energy: 1.1235542968076373
Energy: 1.0862009617592443
Energy: 1.1235542968053247
Energy: 1.0862009617592443
Energy: 1.1235542968092274
Energy: 1.1362549065816592
Energy: 1.092702825284619
Energy: 1.1362549065800691
Energy: 1.092702825283824
Energy: 1.1362549065808643
Energy: 1.092702825283824
Energy: 1.1759397067200992
Energy: 1.1809569477253752
Energy: 1.175939706720894
Energy: 1.1809569477237856
Energy: 1.175939706720894
Energy: 1.1809569477237856
Energy: 1.0819906998138673
Energy: 1.06899311960145
Energy: 1.0819906998138673
Energy: 1.06899311960145
Energy: 1.0819906998146622
Energy: 1.0689931196022453
Energy: 1.1392963812381751
Energy: 1.0936337080345648
Energy: 1.13929638123897
Energy: 1.093633708036155
Energy: 1.1392963812381751
Energy: 1.0936337080376728
Energy: 1.0818686672655102
Energy: 1.1223165882407653
Energy: 1.0818686672671005
Energy: 1.1223165882391755
Energy: 1.0818686672686904
Energy: 1.1223165882391755
Energy: 1.0810913751742683
Energy: 1.0784995620100697
Energy: 1.0810913751710882
Energy: 1.0784995620116593
Energy: 1.0810913751726783
Energy: 1.0784995620100697
Energy: 1.1214400604952375
Energy: 1.065196533656628
Energy: 1.1214400604968275
Energy: 1.065196533656628
Energy: 1.1214400604976225
Energy: 1.065196533657423
Energy: 1.0683861555391578
Energy: 1.0743889196384069
Energy: 1.0683861555391578
Energy: 1.0743889196376117
Energy: 1.0683861555399528
Energy: 1.0743889196384069
Energy: 1.067344789756902
Energy: 1.0923368705188696
Energy: 1.067344789757697
Energy: 1.0923368705180747
Energy: 1.067344789757697
Energy: 1.0923368705188696
Energy: 1.167012878380186
Energy: 1.0897658657089495
Energy: 1.167012878380186
Energy: 1.0897658657081546
Energy: 1.167012878381776
Energy: 1.0897658657089495
Energy: 1.0648958297254882
Energy: 1.069916210016596
Energy: 1.0648958297223083
Energy: 1.0699162100189807
Energy: 1.0648958297238982
Energy: 1.0699162100181858
Energy: 1.0855320115158975
Energy: 1.1404765021146666
Energy: 1.0855320115166924
Energy: 1.1404765021153895
Energy: 1.0855320115151024
Energy: 1.1404765021153895
Energy: 1.0687415126794593
Energy: 1.0874165910986184
Energy: 1.0687415126794593
Energy: 1.0874165910970286
Energy: 1.0687415126802542
Energy: 1.0874165910978233
Energy: 1.1204138227238907
Energy: 1.095483796208169
Energy: 1.120413822727071
Energy: 1.0954837962089636
Energy: 1.120413822725481
Energy: 1.0954837962089636
Energy: 1.0934846115856696
Energy: 1.1831301555405607
Energy: 1.0934846115864647
Energy: 1.1831301555381757
Energy: 1.0934846115872596
Energy: 1.1831301555373808
Energy: 1.1223079971417553
Energy: 1.086038390988633
Energy: 1.12230799714414
Energy: 1.086038390988633
Energy: 1.1223079971417553
Energy: 1.086038390988633

minimum gb energy = 1.0648958297223083 eV
minimum distance =  2.32472201780142 Angstroms
sigma value = 33


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

Energy: 1.3626000276239345
Energy: 1.414909720800164
Energy: 1.2742222320295036
Energy: 1.4149097208067205
Energy: 1.3626000276204042
Energy: 1.4149097208067205
Energy: 1.3618975947665453
Energy: 1.3499616783474517
Energy: 1.3618975947665453
Energy: 1.3499616783454345
Energy: 1.3618975947660408
Energy: 1.349961678345939
Energy: 1.2997679909772946
Energy: 1.3624234461013525
Energy: 1.2997679909767903
Energy: 1.3624234460953006
Energy: 1.29976799097326
Energy: 1.3624234460953006
Energy: 1.3446965607629806
Energy: 1.465997787424
Energy: 1.3446965607584416
Energy: 1.4659977874245043
Energy: 1.344696560760459
Energy: 1.4659977874245043
Energy: 1.3801480569687987
Energy: 1.2369817992745091
Energy: 1.3801480569698072
Energy: 1.236981799278544
Energy: 1.380148056964764
Energy: 1.236981799278544
Energy: 1.351192592533166
Energy: 1.3520182430429541
Energy: 1.351192592536696
Energy: 1.3520182430464844
Energy: 1.351192592534679
Energy: 1.3520182430469887
Energy: 1.2610009308192986
Energy: 1.3328883529107123
Energy: 1.2610009308203076
Energy: 1.3328883529021385
Energy: 1.2610009308238377
Energy: 1.3328883529021385
Energy: 1.4756566896997811
Energy: 1.3590357554564776
Energy: 1.4756566897023027
Energy: 1.359035755455973
Energy: 1.475656689702807
Energy: 1.359035755455973
Energy: 1.3585459312374077
Energy: 1.3297133252879325
Energy: 1.3592370236837659
Energy: 1.3297133252824307
Energy: 1.358545931241947
Energy: 1.3297133252809177
Energy: 1.2422003111464988
Energy: 1.396268473444681
Energy: 1.242200311144986
Energy: 1.3962684734436726
Energy: 1.242200311148012
Energy: 1.396268473443168
Energy: 1.5086014104602323
Energy: 1.3474976788311996
Energy: 1.5084595910080516
Energy: 1.3474976788317041
Energy: 1.5086014104627081
Energy: 1.3474976788311996
Energy: 1.2586134070405295
Energy: 1.3985124462191663
Energy: 1.258613407038512
Energy: 1.3985124462156358
Energy: 1.2586134070375035
Energy: 1.3985124462166445
Energy: 1.240749129761137
Energy: 1.373805139251436
Energy: 1.2407491297601287
Energy: 1.3738051392600097
Energy: 1.24074912975912
Energy: 1.3738051392590012
Energy: 1.3820326279854587
Energy: 1.3534592225865176
Energy: 1.38203262798445
Energy: 1.3534592225955957
Energy: 1.3820326279804154
Energy: 1.3534592225915612
Energy: 1.2898346226842683
Energy: 1.3660997523348177
Energy: 1.2898346226852768
Energy: 1.3660997523378438
Energy: 1.2898346226832595
Energy: 1.3660997523373395
Energy: 1.3511276359678
Energy: 1.3146441789584642
Energy: 1.3511276359642694
Energy: 1.3146441789589685
Energy: 1.351127635963261
Energy: 1.314644178955438
Energy: 1.3896421785295132
Energy: 1.2588233744542152
Energy: 1.3896421785259827
Energy: 1.2588233744451374
Energy: 1.3896421785269912
Energy: 1.2588233744466504
Energy: 1.310064601799037
Energy: 1.4477786171316251
Energy: 1.3100646017955069
Energy: 1.4477786171285993
Energy: 1.3100646017960111
Energy: 1.4477786171291036
Energy: 1.2648793609205546
Energy: 1.3393982492013348
Energy: 1.264879360919546
Energy: 1.3393982492028478
Energy: 1.2648793609220677
Energy: 1.339398249199822
Energy: 1.4825270892768734
Energy: 1.2386550027583116
Energy: 1.4825270892783866
Energy: 1.2386550027699113
Energy: 1.482527089277378
Energy: 1.2386550027704155
Energy: 1.341216829861052
Energy: 1.4174676932511883
Energy: 1.3417741327914443
Energy: 1.4174676932496753
Energy: 1.3412168298509652
Energy: 1.4174676932496753
Energy: 1.2464862973125928
Energy: 1.395234448114573
Energy: 1.2464862973171318
Energy: 1.3952344481130603
Energy: 1.246486297317636
Energy: 1.3952344481130603
Energy: 1.5435947525507516
Energy: 1.3467642903571873
Energy: 1.321960310157608
Energy: 1.3467642903576917
Energy: 1.5435947525517604
Energy: 1.3467642903571873
Energy: 1.3651780676047234
Energy: 1.3829483198721912
Energy: 1.2423584932409306
Energy: 1.3829483198782433
Energy: 1.3651780676077494
Energy: 1.3829483198767303
Energy: 1.3618369244351491
Energy: 1.3774815185849725
Energy: 1.2586193435421675
Energy: 1.3774815185844682
Energy: 1.3618369244447315
Energy: 1.3774815185849725
Energy: 1.4370076557869067
Energy: 1.376429006746285
Energy: 1.4370076557879154
Energy: 1.3764290067493108
Energy: 1.4370076557944718
Energy: 1.3764290067493108
Energy: 1.257768252631729
Energy: 1.3730348779619022
Energy: 1.2577682526281986
Energy: 1.373034877959885
Energy: 1.2577682526297116
Energy: 1.3730348779603894
Energy: 1.336817025383173
Energy: 1.372837091246237
Energy: 1.3368170253836773
Energy: 1.3728370912386723
Energy: 1.3368170253856948
Energy: 1.372837091241698
Energy: 1.373604294409753
Energy: 1.2373747601147904
Energy: 1.3736042944137874
Energy: 1.2373747601173124
Energy: 1.373604294420344
Energy: 1.2373747601163037
Energy: 1.2625071048194803
Energy: 1.4503579720712794
Energy: 1.2625071048149412
Energy: 1.4503579720738011
Energy: 1.262507104811457
Energy: 1.4503579720738011
Energy: 1.4431202738640423
Energy: 1.3767014548660406
Energy: 1.443120273863538
Energy: 1.3767014548589798
Energy: 1.4431202738665638
Energy: 1.3767014548584755
Energy: 1.3989250934682327
Energy: 1.2383610423694045
Energy: 1.3989228863778136
Energy: 1.238361042363857
Energy: 1.3989250934727715
Energy: 1.2383610423643612
Energy: 1.3517270221768385
Energy: 1.4019231942759498
Energy: 1.3517265034079216
Energy: 1.4019231942835146
Energy: 1.3517270221738125
Energy: 1.401923194278976
Energy: 1.371763923354662
Energy: 1.3501877849275032
Energy: 1.37176392335214
Energy: 1.3501877849340596
Energy: 1.3717639233501226
Energy: 1.3501877849340596
Energy: 1.2875492613551829
Energy: 1.361827355408554
Energy: 1.2875492613491308
Energy: 1.3618273554035107
Energy: 1.287549261345142
Energy: 1.3618273554045195
Energy: 1.2431658002343275
Energy: 1.373004416385687
Energy: 1.2431658002393708
Energy: 1.3730044163967823
Energy: 1.2431658002429011
Energy: 1.373004416396278
Energy: 1.3634777183960956
Energy: 1.391217532056295
Energy: 1.3634777183960956
Energy: 1.3912175320497386
Energy: 1.363477718399626
Energy: 1.3912175320492344

minimum gb energy = 1.2369817992745091 eV
minimum distance =  2.17991943331955 Angstroms
sigma value = 41


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

Energy: 1.5758685783051294
Energy: 1.5725918233229443
Energy: 1.5758685783037525
Energy: 1.5725918233229443
Energy: 1.5758685783051294
Energy: 1.5725918233229443
Energy: 1.602602055067689
Energy: 1.5586022462320082
Energy: 1.602602055066312
Energy: 1.5586022462333853
Energy: 1.602602055067689
Energy: 1.5586022462320082
Energy: 1.7250901588995218
Energy: 1.554027423337234
Energy: 1.7250901588995218
Energy: 1.554027423335857
Energy: 1.7250901588981444
Energy: 1.554027423337234
Energy: 1.5433754143121594
Energy: 1.687377608377175
Energy: 1.5433754143121594
Energy: 1.6873776083757983
Energy: 1.5433754143107825
Energy: 1.6873776083785523
Energy: 1.68190892926807
Energy: 1.5759847653538377
Energy: 1.6819089292666933
Energy: 1.5759847653552144
Energy: 1.6819089292666933
Energy: 1.5759847653552144
Energy: 1.7022041409514743
Energy: 1.683446204786274
Energy: 1.7022041409487203
Energy: 1.683446204786274
Energy: 1.7022041409473436
Energy: 1.683446204786274
Energy: 1.5579837061365327
Energy: 1.6042656786100968
Energy: 1.5579837061379096
Energy: 1.6042656786100968
Energy: 1.5579837061365327
Energy: 1.6042656786100968
Energy: 1.6102114650076367
Energy: 1.5591815055566198
Energy: 1.6102114650103905
Energy: 1.5591815055566198
Energy: 1.6102114650103905
Energy: 1.5591815055566198
Energy: 1.6159763402432297
Energy: 1.6064250637319675
Energy: 1.6159763402432297
Energy: 1.6064250637319675
Energy: 1.6159763402432297
Energy: 1.6064250637319675
Energy: 1.5428385876652995
Energy: 1.6155483778125765
Energy: 1.5428385876666766
Energy: 1.6155483778111996
Energy: 1.5428385876666766
Energy: 1.6155483778125765
Energy: 1.602718409345426
Energy: 1.5544357974195486
Energy: 1.602718409344049
Energy: 1.5544357974195486
Energy: 1.602718409344049
Energy: 1.5544357974195486
Energy: 1.6219001058968714
Energy: 1.5565042668467968
Energy: 1.6219001058954947
Energy: 1.5565042668454196
Energy: 1.6219001058968714
Energy: 1.5565042668467968
Energy: 1.5870964789132866
Energy: 1.686467080804149
Energy: 1.5870964789132866
Energy: 1.6864670808055262
Energy: 1.5870964789132866
Energy: 1.6864670808027722
Energy: 1.6820972585700125
Energy: 1.5591827425762153
Energy: 1.6820972585686356
Energy: 1.5591827425775924
Energy: 1.6820972585700125
Energy: 1.5591827425775924

minimum gb energy = 1.5428385876652995 eV
minimum distance =  2.29275038661401 Angstroms
sigma value = 11


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

Energy: 1.8735061142860674
Energy: 1.902658591386147
Energy: 1.8735061142848575
Energy: 1.902658591386147
Energy: 1.8735061142854625
Energy: 1.902658591386147
Energy: 1.8665805772478956
Energy: 1.8195962724370038
Energy: 1.8665805772472903
Energy: 1.8195962724370038
Energy: 1.8665805772478956
Energy: 1.8195962724370038
Energy: 1.9785464865805706
Energy: 1.8299721742935806
Energy: 1.9785464865811755
Energy: 1.829972174292976
Energy: 1.9785464865805706
Energy: 1.8299721742935806
Energy: 1.824614510198315
Energy: 1.9336481231867104
Energy: 1.824614510198315
Energy: 1.9336481231867104
Energy: 1.8246145101977103
Energy: 1.9336481231867104
Energy: 1.9667169184794036
Energy: 1.8499018070453856
Energy: 1.9667169184818234
Energy: 1.8499018070453856
Energy: 1.966716918481218
Energy: 1.8499018070453856
Energy: 1.8271043532137408
Energy: 1.910075108251438
Energy: 1.8271043532119533
Energy: 1.910075108251438
Energy: 1.8271043532137408
Energy: 1.910075108250833
Energy: 1.8338656492946313
Energy: 1.9740435992927208
Energy: 1.833865649295236
Energy: 1.9740435992921157
Energy: 1.8338656492940264
Energy: 1.9740435992945355
Energy: 1.9199078812535983
Energy: 1.8248944731110726
Energy: 1.9199078812535983
Energy: 1.8248944731116776
Energy: 1.9199078812523886
Energy: 1.824894473110468
Energy: 1.9261031416721264
Energy: 1.8239215685871533
Energy: 1.9261031416721264
Energy: 1.8239215685871533
Energy: 1.9261031416715217
Energy: 1.8239215685871533
Energy: 1.8464196459305757
Energy: 1.974258101921628
Energy: 1.8464196459299707
Energy: 1.9742581019246528
Energy: 1.8464196459317852
Energy: 1.9742581019204186
Energy: 1.9373786476377266
Energy: 1.8581604400787421
Energy: 1.937378647638332
Energy: 1.8581604400787421
Energy: 1.9373786476377266
Energy: 1.8581604400787421
Energy: 1.9056322264855872
Energy: 1.903899752785856
Energy: 1.9056322264844046
Energy: 1.903899752785856
Energy: 1.9056322264855872
Energy: 1.903899752785856
Energy: 1.825134300961429
Energy: 1.939799347990966
Energy: 1.8251343009620336
Energy: 1.9397993479915712
Energy: 1.8251343009620336
Energy: 1.9397993479915712
Energy: 1.9919313722120473
Energy: 1.8195077982470815
Energy: 1.9919313722084182
Energy: 1.8195077982470815
Energy: 1.9919313722108376
Energy: 1.8195077982470815
Energy: 1.903436258084281
Energy: 1.8526717253684872
Energy: 1.903436258084886
Energy: 1.8526717253678822
Energy: 1.903436258084281
Energy: 1.8526717253678822
Energy: 1.8619281835304937
Energy: 1.9318359515358996
Energy: 1.8619281835323083
Energy: 1.9318359515389238
Energy: 1.8619281835317036
Energy: 1.931835951534717
Energy: 1.9333208126169785
Energy: 1.8391448541120352
Energy: 1.9333208126175834
Energy: 1.8391448541120352
Energy: 1.9333208126157688
Energy: 1.8391448541120352
Energy: 1.8899136521057536
Energy: 1.9081453743252943
Energy: 1.8899136521063584
Energy: 1.9081453743258996
Energy: 1.8899136521063584
Energy: 1.9081453743258996
Energy: 1.836858101084545
Energy: 1.8970700478715405
Energy: 1.836858101084545
Energy: 1.8970700478703306
Energy: 1.836858101084545
Energy: 1.8970700478703306
Energy: 1.927420676996072
Energy: 1.8601710055246747
Energy: 1.9274206770051456
Energy: 1.8601710055246747
Energy: 1.9274206769984916
Energy: 1.8601710055240699
Energy: 1.8397015243074883
Energy: 1.923081884496739
Energy: 1.8397015243080932
Energy: 1.923081884496739
Energy: 1.8397015243068835
Energy: 1.9230818844973436
Energy: 1.8244948053964387
Energy: 1.9407601659467797
Energy: 1.8244948053970436
Energy: 1.9407601659461746
Energy: 1.8244948053970436
Energy: 1.9407601659467797
Energy: 1.96379428378294
Energy: 1.8317677085762574
Energy: 1.9637942837841498
Energy: 1.8317677085768624
Energy: 1.963794283783545
Energy: 1.8317677085768624
Energy: 1.9372183855153586
Energy: 1.8186558228660514
Energy: 1.9372183855147538
Energy: 1.8186558228660514
Energy: 1.9372183855153586
Energy: 1.8186558228654466
Energy: 1.8441293071363871
Energy: 1.9438376190925104
Energy: 1.844129307136992
Energy: 1.9438376190919058
Energy: 1.844129307135782
Energy: 1.9438376190925104
Energy: 1.9196381948860732
Energy: 1.8610328969494323
Energy: 1.9196381948848633
Energy: 1.8610328969494323
Energy: 1.9196381948848633
Energy: 1.8610328969500372
Energy: 1.8379306875316976
Energy: 1.9889806323027064
Energy: 1.8379306875323025
Energy: 1.9889806323027064
Energy: 1.8379306875316976
Energy: 1.9889806323021015
Energy: 1.816980642773321
Energy: 1.9078850750328846
Energy: 1.8169806427715063
Energy: 1.9078850750328846
Energy: 1.8169806427727164
Energy: 1.9078850750328846
Energy: 1.9323927188275163
Energy: 1.8470062074882725
Energy: 1.9323927188257015
Energy: 1.8470062074888776
Energy: 1.9323927188269114
Energy: 1.8470062074882725
Energy: 1.8695511088560017
Energy: 1.8309667980128097
Energy: 1.8695511088560017
Energy: 1.8309667980128097
Energy: 1.8695511088566066
Energy: 1.8309667980128097
Energy: 1.8399607613721904
Energy: 1.9583242052899401
Energy: 1.8399607613734001
Energy: 1.9583242052911498
Energy: 1.8399607613734001
Energy: 1.9583242052923595

minimum gb energy = 1.8169806427715063 eV
minimum distance =  2.24847976371555 Angstroms
sigma value = 57


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

Energy: 1.9456011100807158
Energy: 2.1690287335842107
Energy: 1.9456011100796395
Energy: 2.169028733583134
Energy: 1.9456011100807158
Energy: 2.1690287335842107
Energy: 1.942422980603483
Energy: 1.9877305782909438
Energy: 1.942422980603483
Energy: 1.9877305782920203
Energy: 1.942422980603483
Energy: 1.9877305782909438
Energy: 2.1196936309444196
Energy: 1.9842881134180526
Energy: 2.119693630946572
Energy: 1.9842881134180526
Energy: 2.1196936309444196
Energy: 1.9842881134180526
Energy: 1.9289742073771543
Energy: 2.1778904982349157
Energy: 1.9289742073771543
Energy: 2.1778904982349157
Energy: 1.9289742073771543
Energy: 2.1778904982349157
Energy: 2.119681219839603
Energy: 1.9843228918608171
Energy: 2.119681219838526
Energy: 1.9843228918597409
Energy: 2.119681219839603
Energy: 1.9843228918597409
Energy: 1.9424059864388705
Energy: 1.995567430575431
Energy: 1.9424059864377943
Energy: 1.995567430575431
Energy: 1.9424059864399468
Energy: 1.995567430575431
Energy: 1.9456011100828687
Energy: 2.16902873358744
Energy: 1.9456011100796395
Energy: 2.169028733588516
Energy: 1.945601110081792
Energy: 2.16902873358744
Energy: 1.9424229806077888
Energy: 1.9877305782984789
Energy: 1.9424229806056361
Energy: 1.9877305782974022
Energy: 1.9424229806067121
Energy: 1.9877305782974022
Energy: 2.119693630946572
Energy: 1.9842881134212815
Energy: 2.119693630946572
Energy: 1.9842881134212815
Energy: 2.119693630946572
Energy: 1.9842881134212815
Energy: 1.928974207378231
Energy: 2.137707239624915
Energy: 1.9289742073793077
Energy: 2.137707239624915
Energy: 1.928974207376078
Energy: 2.137707239624915
Energy: 2.119681219836373
Energy: 1.9843228918597409
Energy: 2.119681219836373
Energy: 1.9843228918597409
Energy: 2.1196812198374495
Energy: 1.9843228918597409
Energy: 1.9424059864399468
Energy: 1.9721211771817133
Energy: 1.9424059864377943
Energy: 1.9721211771817133
Energy: 1.9424059864399468
Energy: 1.9721211771817133
Energy: 1.9456011100807158
Energy: 2.1690287335820577
Energy: 1.9456011100796395
Energy: 2.169028733583134
Energy: 1.945601110081792
Energy: 2.1690287335820577
Energy: 1.942422980603483
Energy: 1.9877305782963262
Energy: 1.942422980603483
Energy: 1.9877305782963262
Energy: 1.9424229806024065
Energy: 1.9877305782974022
Energy: 2.119693630943343
Energy: 1.9842881134180526
Energy: 2.1196936309444196
Energy: 1.9842881134180526
Energy: 2.119693630943343
Energy: 1.9842881134180526
Energy: 1.9289742073771543
Energy: 2.1038774235795703
Energy: 1.928974207376078
Energy: 2.1038774235806468
Energy: 1.928974207376078
Energy: 2.1038774235795703
Energy: 2.119681219839603
Energy: 1.9843228918586642
Energy: 2.119681219839603
Energy: 1.9843228918575877
Energy: 2.1196812198374495
Energy: 1.9843228918575877

minimum gb energy = 1.928974207376078 eV
minimum distance =  2.25638593399769 Angstroms
sigma value = 9


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

Energy: 2.0186499860389673
Energy: 2.0443104164944024
Energy: 2.018649986039846
Energy: 2.044310416493523
Energy: 2.0186499860389673
Energy: 2.044310416493523
Energy: 2.0511620897352887
Energy: 2.033240856784738
Energy: 2.0511620897388037
Energy: 2.0332408567838587
Energy: 2.0511620897352887
Energy: 2.0332408567838587
Energy: 2.1060276771625626
Energy: 2.004404487694172
Energy: 2.1060276771634414
Energy: 2.0044044876932925
Energy: 2.1060276771625626
Energy: 2.0044044876932925
Energy: 1.9475964429181314
Energy: 2.169760918435935
Energy: 1.947596442919889
Energy: 2.169760918435935
Energy: 1.947596442919889
Energy: 2.169760918435935
Energy: 2.0453778950719013
Energy: 1.9938510506084302
Energy: 2.0453778950710224
Energy: 1.9938510506075513
Energy: 2.0453778950692647
Energy: 1.9938510506084302
Energy: 2.095401907555774
Energy: 1.967224624108647
Energy: 2.0954019075531374
Energy: 1.967224624108647
Energy: 2.0954019075531374
Energy: 1.967224624108647
Energy: 1.9430182617842935
Energy: 2.112825322813925
Energy: 1.9430182617834149
Energy: 2.1128253228148037
Energy: 1.9430182617851728
Energy: 2.1128253228165614
Energy: 1.9385032166202474
Energy: 2.0970094368047536
Energy: 1.9385032166211262
Energy: 2.0970094368047536
Energy: 1.9385032166211262
Energy: 2.0970094368038743
Energy: 2.1642847331056094
Energy: 1.9933228728521126
Energy: 2.16428473310473
Energy: 1.9933228728521126
Energy: 2.1642847331038513
Energy: 1.9933228728521126
Energy: 1.9477862951441969
Energy: 2.0815681284339496
Energy: 1.9477862951468337
Energy: 2.0815681284339496
Energy: 1.9477862951441969
Energy: 2.0815681284330703
Energy: 2.0602071771309225
Energy: 2.053246511429497
Energy: 2.0602071771291643
Energy: 2.053246511429497
Energy: 2.0602071771300436
Energy: 2.053246511429497
Energy: 2.124737201953599
Energy: 1.967728521191824
Energy: 2.1247372019509623
Energy: 1.967728521191824
Energy: 2.1247372019544777
Energy: 1.967728521191824
Energy: 1.940406307247955
Energy: 2.135547236835254
Energy: 1.9404063072497129
Energy: 2.135547236835254
Energy: 1.940406307247955
Energy: 2.135547236835254
Energy: 2.0445371273702158
Energy: 2.100653187465576
Energy: 2.0445371273702158
Energy: 2.100653187465576
Energy: 2.0445371273702158
Energy: 2.100653187464697
Energy: 2.117650493737493
Energy: 1.9634155571970564
Energy: 2.1176504937392506
Energy: 1.9634155571979355
Energy: 2.1176504937383718
Energy: 1.9634155572005723
Energy: 2.015747446598665
Energy: 2.1341493489952126
Energy: 2.0157474465977865
Energy: 2.1341493489969703
Energy: 2.0157474465977865
Energy: 2.1341493489881813
Energy: 2.0143732123244393
Energy: 2.144738675058217
Energy: 2.014373212325318
Energy: 2.1447386750564594
Energy: 2.014373212325318
Energy: 2.1447386750590964
Energy: 2.322932121199251
Energy: 1.9664428635317843
Energy: 2.32293212120013
Energy: 1.9664428635317843
Energy: 2.322932121197493
Energy: 1.9664428635309052
Energy: 1.9717521974666483
Energy: 2.1128620842075616
Energy: 1.9717521974648904
Energy: 2.1128620842066828
Energy: 1.9717521974666483
Energy: 2.1128620842075616
Energy: 2.0049333609188844
Energy: 2.0259906255120788
Energy: 2.004933360916248
Energy: 2.0259906255129576
Energy: 2.0049333609188844
Energy: 2.0259906255120788
Energy: 2.121896271175599
Energy: 1.9737922236363636
Energy: 2.121896271175599
Energy: 1.9737922236363636
Energy: 2.121896271175599
Energy: 1.9737922236407581

minimum gb energy = 1.9385032166202474 eV
minimum distance =  2.25788450461391 Angstroms
sigma value = 27


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

Energy: 2.1445835256495074
Energy: 2.0903616492198007
Energy: 2.0809673246271942
Energy: 2.0903616492198007
Energy: 2.1445835256495074
Energy: 2.0903616492168378
Energy: 2.204167720319206
Energy: 1.9857105279268235
Energy: 2.2041677203199472
Energy: 1.9857105279268235
Energy: 2.2041677203184653
Energy: 1.985710527930528
Energy: 2.0656383201576407
Energy: 2.0352570177922704
Energy: 2.0656383201598634
Energy: 2.035257017793011
Energy: 2.0656383201583814
Energy: 2.0352570177848617
Energy: 2.020060971058809
Energy: 2.1410251750039073
Energy: 2.020060971058809
Energy: 2.141025175003166
Energy: 2.0200609710610316
Energy: 2.1410251750105744
Energy: 1.9835576647528064
Energy: 2.1401918302907954
Energy: 1.9835576647550293
Energy: 2.140191830289314
Energy: 1.9835576647528064
Energy: 2.140191830289314
Energy: 2.1129669230147634
Energy: 2.0882897973440766
Energy: 2.112966923015504
Energy: 2.088289797344817
Energy: 2.1129669230147634
Energy: 2.0882897973507104
Energy: 1.9954465139425945
Energy: 2.180676797446514
Energy: 1.9954465139433355
Energy: 2.180676797447255
Energy: 1.9954465139411128
Energy: 2.180676797447255
Energy: 2.156911179804019
Energy: 2.0629420609221616
Energy: 2.1569111798025373
Energy: 2.0629420609258653
Energy: 2.156911179803278
Energy: 2.062942060922902
Energy: 2.216853814345879
Energy: 1.9888654364654548
Energy: 2.216925787354785
Energy: 1.9888654364661955
Energy: 2.216853814347361
Energy: 1.9888654364639728
Energy: 2.1559163318333434
Energy: 2.037329213039806
Energy: 2.156865603627227
Energy: 2.0373292130405467
Energy: 2.155916331834825
Energy: 2.037329213042028
Energy: 2.1602312814836844
Energy: 2.0631455728694665
Energy: 2.1612269588135433
Energy: 2.0631455728694665
Energy: 2.160231281484425
Energy: 2.0631455728709485
Energy: 2.1583543220827806
Energy: 1.9881451791581641
Energy: 2.158354322080558
Energy: 1.988145179158905
Energy: 2.15835432208204
Energy: 1.9881451791596458
Energy: 2.0662437575877863
Energy: 2.135213288330262
Energy: 2.066243757588527
Energy: 2.135213288330262
Energy: 2.066243757587046
Energy: 2.135213288331003
Energy: 1.9980740853002668
Energy: 2.056741507014961
Energy: 1.9980740853002668
Energy: 2.05674150701422
Energy: 1.9980740853010073
Energy: 2.056741507014961
Energy: 2.11997007457986
Energy: 2.0971907682243205
Energy: 2.1220437445831326
Energy: 2.0971907682235797
Energy: 2.119970074578378
Energy: 2.0971907682243205
Energy: 2.003224632143017
Energy: 2.021585476535059
Energy: 2.0032246321452396
Energy: 2.0215854765357992
Energy: 2.003224632143758
Energy: 2.0215854765372816
Energy: 2.0311927868456006
Energy: 2.070761648292283
Energy: 2.031192786843378
Energy: 2.070761648292283
Energy: 2.03119278684486
Energy: 2.0707616482937645
Energy: 2.140992903824737
Energy: 2.03569661601244
Energy: 2.1409929038276667
Energy: 2.0356966160131806
Energy: 2.1409929038254782
Energy: 2.0356966160079946
Energy: 2.120514303311229
Energy: 1.9886164003210034
Energy: 2.0465962175092645
Energy: 1.9886164003202627
Energy: 2.1205143033119698
Energy: 1.9886164003224853
Energy: 2.144583525648766
Energy: 2.090361649218319
Energy: 2.080967324624972
Energy: 2.09036164921906
Energy: 2.1445835256495074
Energy: 2.09036164921906
Energy: 2.2041677203140204
Energy: 1.9857105279320098
Energy: 2.2041677203155023
Energy: 1.985710527929787
Energy: 2.2041677203132797
Energy: 1.9857105279379366
Energy: 2.065638320160604
Energy: 2.0352570177900478
Energy: 2.0656383201672717
Energy: 2.035257017789307
Energy: 2.065638320160604
Energy: 2.0352570177856024
Energy: 2.0200609710580677
Energy: 2.141025175008352
Energy: 2.0200609710543636
Energy: 2.141025175008352
Energy: 2.020060971056586
Energy: 2.1410251750165012
Energy: 1.9835576647609559
Energy: 2.1401918302870913
Energy: 1.9835576647602151
Energy: 2.140191830288573
Energy: 1.9835576647609559
Energy: 2.1401918302900547
Energy: 2.1129669230140227
Energy: 2.0882897973470063
Energy: 2.1129669230147634
Energy: 2.0882897973470063
Energy: 2.1129669230140227
Energy: 2.088289797351451

minimum gb energy = 1.9835576647528064 eV
minimum distance =  2.23221638916832 Angstroms
sigma value = 19


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

Energy: 2.017608888166124
Energy: 2.0719604338330875
Energy: 2.0176088881654843
Energy: 2.071960433833727
Energy: 2.017608888164845
Energy: 2.0719604338330875
Energy: 1.9666206810532234
Energy: 1.9600934713325364
Energy: 1.9666206810532234
Energy: 1.9600934713325364
Energy: 1.9666206810538631
Energy: 1.9600934713325364
Energy: 1.9921052284056977
Energy: 1.9376799501898814
Energy: 1.9921052284050582
Energy: 1.9376799501898814
Energy: 1.9921052284069767
Energy: 1.9376799501898814
Energy: 1.9427517439695712
Energy: 1.9810218499802266
Energy: 1.9427517439689317
Energy: 1.981021849979587
Energy: 1.9427517439695712
Energy: 1.981021849979587
Energy: 1.9515284261925476
Energy: 1.9959236606341222
Energy: 1.9515284261931871
Energy: 1.9959236606341222
Energy: 1.9515284261931871
Energy: 1.9959236606341222
Energy: 1.9926809277886544
Energy: 1.9597762107275576
Energy: 1.9926809277886544
Energy: 1.959776210726918
Energy: 1.9926809277899333
Energy: 1.9597762107339525
Energy: 1.9410154502123325
Energy: 1.977080076108531
Energy: 1.9410154502136114
Energy: 1.977080076108531
Energy: 1.941015450212972
Energy: 1.977080076108531
Energy: 1.9507327826052137
Energy: 1.9917436209052248
Energy: 1.9507327826052137
Energy: 1.9917436209058643
Energy: 1.9507327826058531
Energy: 1.9917436209058643
Energy: 2.068072505706138
Energy: 1.936614249567417
Energy: 2.0680725057035807
Energy: 1.9366142495642198
Energy: 2.0680725057054987
Energy: 1.9366142495642198
Energy: 1.9688786876206632
Energy: 1.976362569973117
Energy: 1.9688786876200237
Energy: 1.9763625699724776
Energy: 1.968878687621942
Energy: 1.9763625699724776
Energy: 1.9443578731589255
Energy: 2.052832580689947
Energy: 1.9443578731602045
Energy: 2.0528325806880283
Energy: 1.9443578731589255
Energy: 2.0528325806803545
Energy: 2.012429568334161
Energy: 1.940252520000956
Energy: 2.0124295683335216
Energy: 1.9402525200015954
Energy: 2.0124295683335216
Energy: 1.9402525200015954
Energy: 1.9409250955083774
Energy: 1.9694494481648082
Energy: 1.9409250955083774
Energy: 1.9694494481648082
Energy: 1.940925095509017
Energy: 1.9694494481654476
Energy: 1.9415041256889427
Energy: 1.9734917461312882
Energy: 1.9415041256883032
Energy: 1.9734917461312882
Energy: 1.9415041256889427
Energy: 1.9734917461312882
Energy: 2.026680173025011
Energy: 1.9356856097556328
Energy: 2.0266801730275694
Energy: 1.935685609757551
Energy: 2.02668017302629
Energy: 1.9356856097569115
Energy: 2.020474473345717
Energy: 1.92756610306354
Energy: 2.020474473344438
Energy: 1.92756610306354
Energy: 2.0204744733450775
Energy: 1.92756610306354
Energy: 1.9445871425959664
Energy: 2.015230348997006
Energy: 1.944587142596606
Energy: 2.015230348997006
Energy: 1.9445871425959664
Energy: 2.015230348997006
Energy: 2.0111556983751235
Energy: 1.9778132509008062
Energy: 2.0111556983751235
Energy: 1.9778132509014457
Energy: 2.0111556983751235
Energy: 1.9778132509014457
Energy: 1.99896856036621
Energy: 1.9637481494904105
Energy: 1.9989685603674892
Energy: 1.9637481494904105
Energy: 1.99896856036621
Energy: 1.96374814949105
Energy: 1.9400316191695222
Energy: 2.0006893254154376
Energy: 1.9400316191701616
Energy: 2.0006893254154376
Energy: 1.9400316191695222
Energy: 2.0006893254154376
Energy: 1.9306148787503399
Energy: 2.0251549555259207
Energy: 1.9306148787490607
Energy: 2.02515495552656
Energy: 1.9306148787509794
Energy: 2.02515495552656
Energy: 2.072534340527464
Energy: 1.9248567731559383
Energy: 2.072534340534498
Energy: 1.9248567731597752
Energy: 2.072534340526185
Energy: 1.9248567731584962
Energy: 1.9903881112182213
Energy: 1.9877124434945612
Energy: 1.9903881112182213
Energy: 1.9877124434939217
Energy: 1.9903881112188608
Energy: 1.9877124434939217
Energy: 1.9912305164547484
Energy: 1.9821624131023003
Energy: 1.991230516456667
Energy: 1.9821624131061373
Energy: 1.991230516456667
Energy: 1.9821624131080557
Energy: 1.9691943983264248
Energy: 1.9367206778394703
Energy: 1.9691943983270643
Energy: 1.9367206778394703
Energy: 1.9691943983264248
Energy: 1.9367206778381911
Energy: 1.9664794063034634
Energy: 1.9941741388079413
Energy: 1.966479406304103
Energy: 1.9941741388079413
Energy: 1.9664794063034634
Energy: 1.994174138808581
Energy: 1.9338494351865514
Energy: 2.02619805829673
Energy: 1.9338494351871909
Energy: 2.026198058298009
Energy: 1.9338494351878304
Energy: 2.026198058298009
Energy: 1.9889999333977373
Energy: 1.958180483897676
Energy: 1.9889999333958186
Energy: 1.9581804838983154
Energy: 1.9889999333970978
Energy: 1.958180483897676
Energy: 1.9283914778202202
Energy: 1.967113187051064
Energy: 1.9283914778214992
Energy: 1.967113187051064
Energy: 1.9283914778189415
Energy: 1.9671131870517036

minimum gb energy = 1.9248567731559383 eV
minimum distance =  2.22306166108052 Angstroms
sigma value = 101


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

Energy: 2.0011685089419187
Energy: 1.9287503568505675
Energy: 2.001168508940232
Energy: 1.9287503568500053
Energy: 2.001168508941356
Energy: 1.9287503568500053
Energy: 1.9276518278649057
Energy: 1.8976956442946251
Energy: 1.9276518278609707
Energy: 1.8976956442946251
Energy: 1.9276518278637813
Energy: 1.8976956442940631
Energy: 1.9170693402531245
Energy: 1.8941408248758433
Energy: 1.9170693402548111
Energy: 1.8941408248758433
Energy: 1.9170693402548111
Energy: 1.8941408248758433
Energy: 1.86377749572833
Energy: 1.9507704236233778
Energy: 1.8637774957272055
Energy: 1.9507704236250645
Energy: 1.8637774957272055
Energy: 1.9507704236228158
Energy: 1.8823303539139347
Energy: 1.9041437744136225
Energy: 1.8823303539144969
Energy: 1.90414377441306
Energy: 1.8823303539144969
Energy: 1.9041437744136225
Energy: 1.886323457664177
Energy: 1.9059136519833475
Energy: 1.886323457664739
Energy: 1.9059136519839097
Energy: 1.886323457664739
Energy: 1.9059136519839097
Energy: 1.882842286606541
Energy: 1.9335777743158373
Energy: 1.8828422866059789
Energy: 1.9335777743152753
Energy: 1.8828422866048546
Energy: 1.9335777743158373
Energy: 1.8744712625115465
Energy: 1.9723663018940578
Energy: 1.8744712625143571
Energy: 1.9723663018940578
Energy: 1.8744712625115465
Energy: 1.9723663018940578
Energy: 1.8871267833828955
Energy: 1.8861403765504268
Energy: 1.8871267833840195
Energy: 1.886140376549865
Energy: 1.887126783382333
Energy: 1.8861403765504268
Energy: 1.9023094447453381
Energy: 1.8971642681423175
Energy: 1.9023094447453381
Energy: 1.897164268141193
Energy: 1.9023094447464624
Energy: 1.8971642681428795
Energy: 1.8780654624718653
Energy: 2.1536517082166338
Energy: 1.8780654624713031
Energy: 2.153651708220569
Energy: 1.8780654624718653
Energy: 2.1536517082166338
Energy: 1.9398686124467626
Energy: 1.8974597598622265
Energy: 1.9398686124506976
Energy: 1.8974597598627887
Energy: 1.9398686124450761
Energy: 1.8974597598622265
Energy: 1.8678260815745056
Energy: 1.8919080838956988
Energy: 1.8678260815750676
Energy: 1.8919080838951365
Energy: 1.8678260815739431
Energy: 1.8919080838945745
Energy: 1.9070431288568814
Energy: 1.9642340604123518
Energy: 1.9070431288535088
Energy: 1.9642340604117894
Energy: 1.9070431288563194
Energy: 1.9642340604129138
Energy: 1.9024685408129485
Energy: 1.8987855395440585
Energy: 1.9024685408107
Energy: 1.898785539544621
Energy: 1.9024685408129485
Energy: 1.898785539545183
Energy: 1.9177228131803665
Energy: 1.8980785897601011
Energy: 1.9177228131775559
Energy: 1.8980785897584147
Energy: 1.9177228131798048
Energy: 1.8980785897601011
Energy: 1.8652473178174533
Energy: 1.9508565344396183
Energy: 1.8652473178191395
Energy: 1.9508565344407427
Energy: 1.8652473178197018
Energy: 1.9508565344401805
Energy: 1.8720995439809411
Energy: 1.8919335385425056
Energy: 1.8720995439786923
Energy: 1.89193353854363
Energy: 1.8720995439792547
Energy: 1.8919335385425056
Energy: 1.8858107888193494
Energy: 1.8859853981933385
Energy: 1.8858107888182252
Energy: 1.885985398192776
Energy: 1.8858107888199116
Energy: 1.8859853981933385
Energy: 1.9034817967421385
Energy: 1.898470009216329
Energy: 1.9034817967421385
Energy: 1.8984700092180156
Energy: 1.9034817967427005
Energy: 1.898470009216329
Energy: 1.8741781297986329
Energy: 2.118510074812937
Energy: 1.874178129799757
Energy: 2.118510074813499
Energy: 1.874178129799195
Energy: 2.118510074812937
Energy: 1.9757179917141379
Energy: 1.8836990400798466
Energy: 1.9757179917135759
Energy: 1.8836990400798466
Energy: 1.9757179917124517
Energy: 1.8836990400798466
Energy: 1.9647854673074272
Energy: 1.8910622182076728
Energy: 1.9647854673102378
Energy: 1.891062218208235
Energy: 1.9647854673068652
Energy: 1.891062218208235
Energy: 1.864518578818091
Energy: 2.015735582925237
Energy: 1.8645185788192151
Energy: 2.0650258067590994
Energy: 1.864518578818653
Energy: 2.0157355829241124
Energy: 1.9391330335354586
Energy: 1.8976387452438266
Energy: 1.9391330335371448
Energy: 1.8976387452421402
Energy: 1.9391330335371448
Energy: 1.8976387452443888
Energy: 1.867337942210899
Energy: 1.8972655408517378
Energy: 1.8673379422114609
Energy: 1.8972655408539867
Energy: 1.8673379422120233
Energy: 1.897265540851176
Energy: 1.9102275211297344
Energy: 1.9670268177554446
Energy: 1.9102275211364803
Energy: 1.9670268177543206
Energy: 1.9102275211331072
Energy: 1.9670268177554446
Energy: 1.9093795799249917
Energy: 1.8960756802302174
Energy: 1.9093795799261157
Energy: 1.896075680229093
Energy: 1.9093795799244295
Energy: 1.8960756802285308
Energy: 2.0684601146557444
Energy: 1.8860480600951464
Energy: 2.0684601146557444
Energy: 1.8860480600957084
Energy: 2.068460114655183
Energy: 1.8860480600951464
Energy: 1.8707592197672445
Energy: 1.9330918175890637
Energy: 1.8707592197678062
Energy: 1.9330918175896257
Energy: 1.8707592197678062
Energy: 1.933091817590188
Energy: 1.8737455608026374
Energy: 1.9145842471138117
Energy: 1.8737455608031994
Energy: 1.9145842471138117
Energy: 1.8737455608026374
Energy: 1.9145842471132497
Energy: 1.9763891760347476
Energy: 1.896539171824206
Energy: 1.9763891760353098
Energy: 1.8965391718219575
Energy: 1.9763891760364338
Energy: 1.8965391718236437
Energy: 1.969823203446672
Energy: 1.8891239903133725
Energy: 1.9698232034444239
Energy: 1.8891239903128105
Energy: 1.969823203446672
Energy: 1.8891239903128105

minimum gb energy = 1.8637774957272055 eV
minimum distance =  2.22942637594491 Angstroms
sigma value = 33


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

Energy: 0.019564530874895965
Energy: 1.197053946641469
Energy: 0.019564530875363032
Energy: 1.197053946641936
Energy: 0.019564530875363032
Energy: 1.1970539466410017
Energy: 0.020548785647642225
Energy: 0.3715783315842007
Energy: 0.020548785647642225
Energy: 0.3715783315823844
Energy: 0.020548785647642225
Energy: 0.3715783315833185
Energy: 1.4062020078206319
Energy: 0.3707620254617671
Energy: 1.4062020078192827
Energy: 0.37076120902194215
Energy: 1.4062020078183486
Energy: 0.3707612775645001
Energy: 0.020548785646241016
Energy: 0.3715783315823844
Energy: 0.020548785646241016
Energy: 0.3715783315823844
Energy: 0.020548785646708083
Energy: 0.371578331581035

minimum gb energy = 0.019564530874895965 eV
minimum distance =  2.4753804471061 Angstroms
sigma value = 1