Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6200000196695328
cohesive_energy=3.540278438731604
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.566521795186964e-19, 2.2398589560983397e-19, 2.75700953002086e-19, 3.1792952254442397e-19, 3.53485026406152e-19, 3.8396964122127e-19, 4.10407157858904e-19, 4.3350093186138e-19, 4.53763659751578e-19, 4.715830682749259e-19, 4.8726196881525e-19, 5.0104229004428395e-19, 5.1312109968801e-19, 5.23661819763096e-19, 5.328038396366999e-19, 5.40660913849836e-19, 5.47337183883714e-19, 5.52917565099936e-19, 5.57482166330202e-19, 5.61096676816506e-19, 5.638203770943059e-19, 5.657109455224259e-19, 5.668116408699839e-19, 5.67170528436e-19, 5.6678600604383995e-19, 5.65545921329124e-19, 5.63299669688256e-19, 5.5987261386813e-19, 5.550548687296919e-19, 5.485948925414039e-19, 5.40193078272708e-19, 5.2948733400432e-19, 5.16038663338524e-19, 4.9931193927956395e-19, 4.786502694075e-19, 4.53241350168894e-19, 4.22074208107692e-19, 3.83878317153132e-19, 3.37040285434776e-19, 2.7949971380129997e-19, 2.0857936509728998e-19, 1.2076983162363238e-19, 1.1396731007099518e-20, -1.2588173639207277e-19, -3.00262320801306e-19, -5.262974003260259e-19, -8.284839352647659e-19, -1.2507423936853678e-18, -1.8773504708895e-18, -2.88213952513626e-18, -4.65358612051836e-18, -8.14102797797982e-18, -1.5905079815745778e-17, -3.55281066412866e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.013617062578172566
Energy: 0.3462174749832069
Energy: 0.014043283620910615
Energy: 0.013826107597032757
Energy: 0.3459339058824095
Energy: 0.013895612775335676
Energy: 0.3462174749832069
Energy: 0.09763501555210861
Energy: 0.09782281518439236
Energy: 0.09771653043345396
Energy: 0.09755746068263005
Energy: 0.09765790990645101
Energy: 0.014043283620632622
Energy: 0.09782281518439236
Energy: 0.0985999097422491
Energy: 0.014293810725983333
Energy: 0.09839572540066817
Energy: 0.09837934104744567
Energy: 0.013826107597032757
Energy: 0.09771653043376673
Energy: 0.014293810725983333
Energy: 0.0138292302402352
Energy: 0.09798522599227096
Energy: 0.013931765430700935
Energy: 0.3459339058824095
Energy: 0.09755746068235205
Energy: 0.09839572540094617
Energy: 0.0979852259919582
Energy: 0.09756355409548731
Energy: 0.09834556105388459
Energy: 0.013895612775335676
Energy: 0.09765790990645101
Energy: 0.09837934104685493
Energy: 0.01393176543101368
Energy: 0.09834556105419734
Energy: 0.014071635407875989

minimum gb energy = 0.013617062578172566 eV
minimum distance =  2.55549230595183 Angstroms
sigma value = 1


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

Energy: 1.2450994068155643
Energy: 1.0878733084309353
Energy: 1.1063210885533254
Energy: 0.9969594741291967
Energy: 1.1038057703817117
Energy: 1.101295736747952
Energy: 1.0067073491073533
Energy: 0.8079113540425671
Energy: 0.8080834273594419
Energy: 0.7888230671725642
Energy: 0.8094399854807351
Energy: 0.805249948172558
Energy: 1.0666706564891466
Energy: 0.8080762914714857
Energy: 0.7901452348215144
Energy: 0.8013181505978972
Energy: 0.8081995544958512
Energy: 0.7562401577034592
Energy: 1.066182771581774
Energy: 0.8303591843190802
Energy: 0.7655213160981602
Energy: 0.7805877923205349
Energy: 0.8538390245836601
Energy: 0.7665389224413012
Energy: 1.0443523128711623
Energy: 0.8297928047321304
Energy: 0.8265285519561872
Energy: 0.9060566558344617
Energy: 0.8249098172340833
Energy: 0.8273972731471326
Energy: 1.0048259240651218
Energy: 0.8269749827702289
Energy: 0.8040905291706842
Energy: 0.9244691703693714
Energy: 0.8130983740813544
Energy: 0.8043027028554153
Energy: 1.0056941754301603
Energy: 0.8033999723087487
Energy: 0.8041857662377648
Energy: 0.8194985421997423
Energy: 0.784462261273271
Energy: 0.8046207244912343
Energy: 0.8906467339849734
Energy: 0.8221008052983506
Energy: 0.8181457490186791
Energy: 0.8890727666542935
Energy: 0.8159940930834001
Energy: 0.8133377961764087
Energy: 0.893323637136874
Energy: 0.8049527107448068
Energy: 0.8036155189116848
Energy: 0.8597225781902749
Energy: 0.8028732573688904
Energy: 0.8046125658344244
Energy: 0.8911067899504239
Energy: 0.8103714623848919
Energy: 0.8335276067057006
Energy: 0.8776133140821573
Energy: 0.829217521127092
Energy: 0.8271059949694362
Energy: 0.8188500676884941
Energy: 0.9975245494957282
Energy: 1.0038918926581724
Energy: 0.807510989593833
Energy: 0.997865977293586
Energy: 1.1024554271575777
Energy: 0.8082977191490144
Energy: 0.776566068566963
Energy: 0.7839540366238459
Energy: 0.8084958294438348
Energy: 0.8192630688934044
Energy: 0.7899875193020334
Energy: 0.8083783915377363
Energy: 0.8139263142552459
Energy: 0.8244893548474335
Energy: 0.8082985131006865
Energy: 0.8197738319590426
Energy: 0.7904740873785743
Energy: 0.8674678331508366
Energy: 1.051168632118157
Energy: 1.0508798344004755
Energy: 0.8678625113430611
Energy: 1.0507528272009306
Energy: 0.8438335982854558
Energy: 0.8384806818811141
Energy: 0.8086080203854141
Energy: 0.8475766279558867
Energy: 0.8264999348950185
Energy: 0.8238637540121896
Energy: 0.8016212976518395
Energy: 0.8415287066276135
Energy: 0.776105608587781
Energy: 0.7762433711706068
Energy: 0.8045331572331021
Energy: 0.7759539425935175
Energy: 0.7776549007483579
Energy: 0.9396771794215266
Energy: 0.810221232291926
Energy: 0.8114023048289609
Energy: 0.940686990086118
Energy: 0.8088277509005668
Energy: 0.7887598464590572
Energy: 0.9555487024172232
Energy: 0.8194247887980157
Energy: 0.8190893771982277
Energy: 0.8928517736291637
Energy: 0.8043173423223462
Energy: 0.8189467010395912
Energy: 0.9511695583945451
Energy: 0.8201333442416419
Energy: 0.817756171336175
Energy: 0.8891441911542701
Energy: 0.818221607439195
Energy: 0.817868078937733
Energy: 0.9483504395047588
Energy: 0.8211463941938849
Energy: 0.8185696531504028
Energy: 0.8718026704285475
Energy: 0.793734029719911
Energy: 0.8180451437605327
Energy: 1.0255506466468125
Energy: 0.9297482333353831
Energy: 0.769390361774437
Energy: 0.797279622269732
Energy: 0.7898833601521408
Energy: 0.7684618376281889
Energy: 1.0254697042617194
Energy: 0.8086156976529589
Energy: 0.8007161380602631
Energy: 0.8021424678055675
Energy: 0.8086538141011078
Energy: 0.7688936115963856
Energy: 1.0564841160664662
Energy: 0.7865091152063106
Energy: 0.7865633932395234
Energy: 0.7830713643488473
Energy: 0.8102862203978464
Energy: 0.8005316039721245

minimum gb energy = 0.7562401577034592 eV
minimum distance =  2.31474512563217 Angstroms
sigma value = 33


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

Energy: 1.363982318665845
Energy: 0.9621214866930884
Energy: 1.0650507636301172
Energy: 1.0619760281846267
Energy: 0.8086533517382971
Energy: 1.0622122954747908
Energy: 0.987750779361608
Energy: 0.8011883279150711
Energy: 0.8005289965069978
Energy: 0.8688689204640676
Energy: 0.8025377853110488
Energy: 0.8347396165271819
Energy: 0.9854688769003638
Energy: 0.8004742935413981
Energy: 0.8005284897321262
Energy: 0.9856541959055799
Energy: 0.8002798467078128
Energy: 0.7640762685868248
Energy: 0.9904507211262574
Energy: 0.7839905277282877
Energy: 0.7844491597048077
Energy: 0.9227134021625788
Energy: 0.8733322592366022
Energy: 0.975353817584225
Energy: 0.9488219044893027
Energy: 0.8348590307423265
Energy: 0.8356272691031916
Energy: 0.8895750232011503
Energy: 0.8346901818844323
Energy: 0.833886011885725
Energy: 0.9855756840298285
Energy: 0.833281018535842
Energy: 0.8166647988204735
Energy: 0.9551972535042543
Energy: 0.8339895474203585
Energy: 0.8158097971943183
Energy: 0.9856183842969259
Energy: 0.8159832097282038
Energy: 0.8368779026246818
Energy: 0.8146450867677054
Energy: 0.8683945387504736
Energy: 0.815390814011783
Energy: 0.95095208653535
Energy: 0.8506170261180097
Energy: 0.852746420799239
Energy: 0.9509605556589894
Energy: 0.850253124878321
Energy: 0.8532467546881308
Energy: 0.8687723923389805
Energy: 0.8505975513696666
Energy: 0.8026602677617526
Energy: 0.8695010055223916
Energy: 0.8505234497695477
Energy: 0.838678783402036
Energy: 0.8665434534200006
Energy: 0.8541511661850785
Energy: 0.8550798107715931
Energy: 0.8671438138918416
Energy: 0.8358937057689036
Energy: 0.8336312202888696
Energy: 0.8552306632034548
Energy: 1.0618187311366678
Energy: 1.0617583026573159
Energy: 0.8557883066295194
Energy: 1.0620202672953596
Energy: 1.0685592112969085
Energy: 0.8022169528068951
Energy: 0.8099669455735365
Energy: 0.834489967848074
Energy: 0.8022214349731779
Energy: 0.8699969773953293
Energy: 0.8019877960853868
Energy: 0.8022231258883262
Energy: 0.8241797701197401
Energy: 0.8099589131185639
Energy: 0.8022136586941272
Energy: 0.8405833071536464
Energy: 0.8010459913064558
Energy: 0.8083994864209261
Energy: 0.9761335958911727
Energy: 0.9749030819375094
Energy: 0.8081545301853357
Energy: 0.9735900860215569
Energy: 0.9740916707168086
Energy: 0.8668089483513741
Energy: 0.8541719724175065
Energy: 0.8539861737725079
Energy: 0.7681018572468273
Energy: 0.8121326929625856
Energy: 0.8345883365613054
Energy: 0.8646489421784677
Energy: 0.8063906583666605
Energy: 0.8154170948532041
Energy: 0.8338958524001652
Energy: 0.8064876234003207
Energy: 0.8162426388153097
Energy: 0.8666476573700168
Energy: 0.812929946459603
Energy: 0.8152050362688288
Energy: 0.8009841587939986
Energy: 0.813937479381872
Energy: 0.816450666682594
Energy: 0.9287091705298282
Energy: 0.8381870317517073
Energy: 0.8020322155369723
Energy: 0.9311884528548514
Energy: 0.8632202602927211
Energy: 0.8509065330748521
Energy: 0.9264777800371139
Energy: 0.8372408463032316
Energy: 0.8377016708944887
Energy: 0.9291437161838878
Energy: 0.8381511843619995
Energy: 0.8023736231901131
Energy: 0.949934869969406
Energy: 0.8344518174811839
Energy: 0.8354490421922214
Energy: 0.8523727011700801
Energy: 0.834905859478607
Energy: 0.7976205688278882
Energy: 1.0441229783610202
Energy: 0.9623803086916105
Energy: 0.7540287252816288
Energy: 0.7535067285463388
Energy: 0.8542369282497786
Energy: 0.7540602224381114
Energy: 1.0589347046621835
Energy: 0.8007859085749157
Energy: 0.8004139244006946
Energy: 0.782896202752144
Energy: 0.8004843576017178
Energy: 0.8450901010541773
Energy: 0.9504667689250825
Energy: 0.8025577501648137
Energy: 0.8004465752932101
Energy: 0.8159524020107165
Energy: 0.8020662322177418
Energy: 0.7639953936442268
Energy: 1.1488541937105823
Energy: 0.8055404749700641
Energy: 0.932949918294721
Energy: 0.974702904728403
Energy: 0.8057706349311502
Energy: 0.9742672670485387
Energy: 0.9533261145491662
Energy: 0.8021363771341482
Energy: 0.7647545694008777
Energy: 0.8365607343216744
Energy: 0.801560175337752
Energy: 0.8339944745656847
Energy: 0.9868692704116664
Energy: 0.8368059986127503
Energy: 0.8369945579856789
Energy: 0.8690328195312523
Energy: 0.8364308257297821
Energy: 0.8155482986484235
Energy: 0.9870575034396017
Energy: 0.8397365578065471
Energy: 0.838756134816752
Energy: 0.8151325833971577
Energy: 0.7644058643710385
Energy: 0.8135786132565368
Energy: 0.9501720371179222
Energy: 0.8505461785009308
Energy: 0.8513975115756307
Energy: 0.8878035341552999
Energy: 0.8505263772132327
Energy: 0.8031157199637042
Energy: 0.8917576725420063
Energy: 0.8504845615802743
Energy: 0.8512464660064153
Energy: 0.8699180173872653
Energy: 0.8507410607570958
Energy: 0.8375586245731909
Energy: 0.8647378402602203
Energy: 0.8529125864115394
Energy: 0.8522046619735639
Energy: 0.8657305363758705
Energy: 0.8733607736241872
Energy: 0.8354292818783408
Energy: 0.8709249677015397
Energy: 0.7538435550445932
Energy: 0.7539669153083624
Energy: 0.8710791490053155
Energy: 0.753811047198284
Energy: 0.7538284129208758
Energy: 0.8008322752632744
Energy: 0.7761055929157472
Energy: 0.7378218100276154
Energy: 0.8010009978322313
Energy: 0.8098280972050304
Energy: 0.8273027948223404
Energy: 0.8022310619870455
Energy: 0.8380396038295009
Energy: 0.7968925204611886
Energy: 0.8026900623018706
Energy: 0.8683739858808796
Energy: 0.8007182990044581
Energy: 0.8084952408366559
Energy: 0.9761236098994668
Energy: 0.9749888862625986
Energy: 0.8078214159883448
Energy: 0.9736343016776174
Energy: 0.961520743741869
Energy: 0.8677205815000362
Energy: 0.8583332919213569
Energy: 0.8143610479428569
Energy: 0.8013319819875268
Energy: 0.8176667652055423
Energy: 0.7660343617077419
Energy: 0.8683544265223043
Energy: 0.7839404513216567
Energy: 0.806450818027896
Energy: 0.844721785239191
Energy: 0.8380089266647255
Energy: 0.8375854932018627
Energy: 0.8669331675056335
Energy: 0.9773905623974944
Energy: 0.9770882433427888
Energy: 0.8669668144318221
Energy: 0.8375119244460433
Energy: 0.9756393141330865
Energy: 0.9264626599971821
Energy: 0.8369565301781057
Energy: 0.8410499880523636
Energy: 0.9290119581008913
Energy: 0.8574274266568434
Energy: 0.8161451431497189
Energy: 0.9301249102704645
Energy: 0.8347454666961892
Energy: 0.8376168003356067
Energy: 0.9304208315093061
Energy: 0.8350504745080245
Energy: 0.851563344723637
Energy: 0.9484756433997206
Energy: 0.8322796488688555
Energy: 0.8335427519406153
Energy: 0.9020434593944952
Energy: 0.8333605492445276
Energy: 0.7966675136377438
Energy: 1.0411682688905188
Energy: 0.8065706743801513
Energy: 0.754875613595595
Energy: 1.0442954927738586
Energy: 0.8065769939429271
Energy: 0.75486031360513

minimum gb energy = 0.7378218100276154 eV
minimum distance =  2.38810433151798 Angstroms
sigma value = 51


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

Energy: 1.2688971882500153
Energy: 0.8414995864747279
Energy: 0.8122144585198755
Energy: 1.044327803929914
Energy: 0.8415157118741998
Energy: 1.044147160373299
Energy: 0.9286319132311034
Energy: 0.8285372487332933
Energy: 0.828201236639229
Energy: 0.8030829576971152
Energy: 0.8288710143208394
Energy: 0.792769022735772
Energy: 0.9791463671445652
Energy: 0.8418571650161949
Energy: 0.8276010030455287
Energy: 0.7488268720796378
Energy: 0.8419330277418712
Energy: 0.7572387092139009
Energy: 0.9824424772456816
Energy: 0.8100164562980707
Energy: 0.7881745002594461
Energy: 0.9640676656620124
Energy: 0.8757081419936148
Energy: 0.8908240636199681
Energy: 0.9277427055801419
Energy: 0.8779541028129956
Energy: 0.8590983584927798
Energy: 0.8637491990972654
Energy: 0.8424342792878847
Energy: 0.8580050543048771
Energy: 0.9274768043429452
Energy: 0.8296560432742002
Energy: 0.8293936741677918
Energy: 0.9152568993493622
Energy: 0.860010719151236
Energy: 0.7803850611653155
Energy: 0.9274445342558357
Energy: 0.7807717933256066
Energy: 0.8609999323379369
Energy: 0.9151957198381054
Energy: 0.8348826028470718
Energy: 0.8576714647170364
Energy: 0.8757579528769986
Energy: 0.7884484152168553
Energy: 0.7548881027234732
Energy: 0.8487286325744673
Energy: 0.9067366760103467
Energy: 0.7542030084819367
Energy: 0.8421697580999757
Energy: 0.8354610093830361
Energy: 0.8354906258366236
Energy: 0.8422313574010546
Energy: 0.8356249875357061
Energy: 0.7722325873358666
Energy: 0.8298389943366669
Energy: 0.7269058719404698
Energy: 0.7928176295041838
Energy: 0.8282936818434327
Energy: 0.7493756546473646
Energy: 0.8284050483958886
Energy: 0.841024619458237
Energy: 1.1908480936725232
Energy: 1.1907910472532457
Energy: 0.8412750877149577
Energy: 1.1907723380693618
Energy: 1.1909155020912516
Energy: 0.8737585578657728
Energy: 0.8197814482761944
Energy: 0.7925377309126878
Energy: 0.829655338223097
Energy: 0.7661746850578943
Energy: 0.8283303377427311
Energy: 0.8776939401372255
Energy: 0.8299456721220981
Energy: 0.8272844579458938
Energy: 0.8684338765133606
Energy: 0.7669653249071919
Energy: 0.8575144172890283
Energy: 0.8850061124441404
Energy: 0.9965574483682975
Energy: 0.9962250977361947
Energy: 0.8845489586567024
Energy: 0.9965497903768842
Energy: 0.9955084735482598
Energy: 0.9460986658080757
Energy: 0.8051017951130183
Energy: 0.8053094576655138
Energy: 0.9461259598895346
Energy: 0.8382245156300716
Energy: 0.7941273076083967
Energy: 0.9525434999743191
Energy: 0.8589948225270202
Energy: 0.7791287033062476
Energy: 0.9544325464768256
Energy: 0.8587482211214258
Energy: 0.7490391830809751
Energy: 0.9832696931737973
Energy: 0.8591635284147995
Energy: 0.858583434559611
Energy: 0.837460483446524
Energy: 0.8583259899181882
Energy: 0.8583836568298475
Energy: 1.013024032768503
Energy: 0.8285205476069464
Energy: 0.7840139420519697
Energy: 1.0150634806713446
Energy: 0.7927553177411636
Energy: 0.7839969659531013

minimum gb energy = 0.7269058719404698 eV
minimum distance =  2.37810757367891 Angstroms
sigma value = 19


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

Energy: 1.039506453922192
Energy: 0.7723120125596767
Energy: 0.920127473155669
Energy: 0.9216953280455084
Energy: 0.7715807643198708
Energy: 0.9231611462938187
Energy: 0.8270079321577416
Energy: 0.7850187019854259
Energy: 0.7851244964356707
Energy: 0.7934376179820593
Energy: 0.7850395016892043
Energy: 0.7944472884270976
Energy: 1.0153076746460645
Energy: 0.7853236093719965
Energy: 0.7860011350476477
Energy: 0.7827595048356388
Energy: 0.7853692635101985
Energy: 0.7853655244380351
Energy: 0.9031890701271656
Energy: 0.7856012190844034
Energy: 0.7853911002939026
Energy: 0.9015559029473731
Energy: 0.8730750981247617
Energy: 0.7542654018345027
Energy: 0.8262484602293745
Energy: 0.7847867041293635
Energy: 0.7848358843550313
Energy: 0.7721960261311067
Energy: 0.7848428707862329
Energy: 0.8157656025897477
Energy: 0.8250028206289927
Energy: 0.7653251864926581
Energy: 0.7822954161008862
Energy: 0.8248840007125134
Energy: 0.7650333880825718
Energy: 0.7802903253792404
Energy: 0.8246215077610134
Energy: 0.7842213432175519
Energy: 0.7892904745094674
Energy: 0.824701338656061
Energy: 0.7409400669263244
Energy: 0.7922362359618415
Energy: 0.872627948916557
Energy: 0.6905791157715127
Energy: 0.6902427182967503
Energy: 0.873008353150818
Energy: 0.6895491863012527
Energy: 0.690043110201375
Energy: 0.7853437840293124
Energy: 0.6898927310641609
Energy: 0.6898403645978828
Energy: 0.7853322268553832
Energy: 0.6894915340149744
Energy: 0.730360850314909
Energy: 0.7849266982371125
Energy: 0.7822662703168439
Energy: 0.7946678485401805
Energy: 0.7849565927979212
Energy: 0.7831809573335293
Energy: 0.7851557801580042
Energy: 1.2284348819575188
Energy: 0.8556674292157782
Energy: 0.8558633473979309
Energy: 1.2281410465558704
Energy: 0.8561082381822188
Energy: 1.2289230482222022
Energy: 0.8243743209367851
Energy: 0.8263107674068566
Energy: 0.8254508298901743
Energy: 0.7850477457662506
Energy: 0.7834089330819165
Energy: 0.7850625853363687
Energy: 0.7644227009717139
Energy: 0.7828906588499609
Energy: 0.7837356420891556
Energy: 0.7647198095001156
Energy: 0.7835931829280977
Energy: 0.8603997723845033
Energy: 0.8256674176792405
Energy: 0.8611093236886714
Energy: 0.8609388593238007
Energy: 0.7855622853289991
Energy: 0.8610094952656288
Energy: 0.8616020755719797
Energy: 0.8753772344532761
Energy: 0.7536370766892593
Energy: 0.7624889817540959
Energy: 0.8756378845955282
Energy: 0.7538265624988352
Energy: 0.6894437302678661
Energy: 0.8757682145481397
Energy: 0.7837194006333785
Energy: 0.7307625708502387
Energy: 0.8758774698985989
Energy: 0.7946278883219466
Energy: 0.6901703854342996
Energy: 0.82601679269305
Energy: 0.7844944551521281
Energy: 0.7848325610822383
Energy: 0.7830660849250873
Energy: 0.7849405437514997
Energy: 0.7946576070834404
Energy: 0.8192226887579505
Energy: 0.7854490463951342
Energy: 0.785563299768302
Energy: 0.8192142170890925
Energy: 0.7852324633089981
Energy: 0.7543587007476151
Energy: 0.8191291894207523
Energy: 0.7858462430825904
Energy: 0.7855202363332068
Energy: 0.8192840660134338
Energy: 0.7859045333688722
Energy: 0.8153194966615114
Energy: 0.8260438361765403
Energy: 0.7650187944854985
Energy: 0.7825594356442931
Energy: 0.8259889329831948
Energy: 0.7649556825287172
Energy: 0.7808285205578122
Energy: 0.906056352119751
Energy: 0.7848431246110479
Energy: 0.8627431519361796
Energy: 0.8607120808063794
Energy: 0.7846886432906518
Energy: 0.8602207106586582
Energy: 0.8263139495821749
Energy: 0.8261695297327348
Energy: 0.8256962785607065
Energy: 0.8254784575070361
Energy: 0.7535751093686368
Energy: 0.795375333231532
Energy: 0.8959840279058721
Energy: 0.92106906833662
Energy: 0.9207896516786074
Energy: 0.753079963285706
Energy: 0.9214224644586745
Energy: 0.9210272152278065
Energy: 0.7850273643036554
Energy: 0.7624504337121342
Energy: 0.7629490076604946
Energy: 0.7851362976396916
Energy: 0.7695302084339134
Energy: 0.7943676496720073
Energy: 0.7851354539885074
Energy: 0.8258349299241383
Energy: 0.7949442610657051
Energy: 0.785102176622989
Energy: 0.7830139864395472
Energy: 0.7855633741996829
Energy: 0.8728266072957428
Energy: 0.8563833413376144
Energy: 0.8559958266541521
Energy: 0.8730034296577165
Energy: 0.8552174271002132
Energy: 0.785898995788188
Energy: 0.8247430595468479
Energy: 0.7824590674309246
Energy: 0.8252348060203153
Energy: 0.7848620105471389
Energy: 0.7831161540391011
Energy: 0.7850383734048693
Energy: 0.7647433932404323
Energy: 0.782553866935852
Energy: 0.7822205461143457
Energy: 0.7648972139936843
Energy: 0.7837926176341384
Energy: 0.740053967360954
Energy: 0.8716183135274743
Energy: 0.7825244707652423
Energy: 0.7823442697003375
Energy: 0.7858060702208006
Energy: 0.783283273183486
Energy: 0.7896882157802194
Energy: 0.875818073118038
Energy: 0.7632181883888352
Energy: 0.7305639354134684
Energy: 0.8758519537511448
Energy: 0.8734946025525278
Energy: 0.6899962012479246

minimum gb energy = 0.6894437302678661 eV
minimum distance =  2.40662212923765 Angstroms
sigma value = 27


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

Energy: 0.8741917830804581
Energy: 0.7466664788564245
Energy: 0.8380505840323932
Energy: 0.8766399080975636
Energy: 0.8239336941459894
Energy: 1.182594551116227
Energy: 0.8606476971253175
Energy: 0.7520232805706986
Energy: 0.7519501210823548
Energy: 0.7937238894619533
Energy: 0.7519302772453367
Energy: 0.6941883071642899
Energy: 0.8077332243511613
Energy: 0.7479105631010019
Energy: 0.7472699156748775
Energy: 0.7186778998694879
Energy: 0.7481568853869354
Energy: 0.7187221454716409
Energy: 0.9267193905970867
Energy: 0.6788040242547021
Energy: 0.6605449793931585
Energy: 0.718861830695755
Energy: 0.7702001290839623
Energy: 0.7191467604969258
Energy: 0.8623083670016782
Energy: 0.7758947924169843
Energy: 0.7259230320072404
Energy: 0.7845789392949769
Energy: 0.7726046405060151
Energy: 0.6401591109175034
Energy: 0.7521819836025161
Energy: 0.7786774633038199
Energy: 0.7772352086798437
Energy: 0.7523690466562426
Energy: 0.7779062178174989
Energy: 0.6387110675346808
Energy: 0.7575562164861516
Energy: 0.7002837206040393
Energy: 0.6952082742083493
Energy: 0.7572125563682373
Energy: 0.7025134723963837
Energy: 0.6945638504884959
Energy: 0.7599627416095236
Energy: 0.7137506204664396
Energy: 0.7134054775774561
Energy: 0.7484239408097242
Energy: 0.7139588768266097
Energy: 0.8358188399386884
Energy: 0.8087384743516183
Energy: 0.7128813808689478
Energy: 0.6942596528378958
Energy: 0.7487087693933658
Energy: 0.7137391897293589
Energy: 0.692986474118703
Energy: 0.8049503163170322
Energy: 0.7189830085325302
Energy: 0.65908493343446
Energy: 0.7550175490289837
Energy: 0.75475779465635
Energy: 0.7553211139731826
Energy: 0.8069569317391426
Energy: 0.7535800889760493
Energy: 0.7541737772780296
Energy: 0.7545913689338754
Energy: 0.7539534454617627
Energy: 0.718353385467669
Energy: 0.8055645679005119
Energy: 0.7474207994065251
Energy: 0.7564000475115618
Energy: 0.7007913739127852
Energy: 0.7544313780676843
Energy: 0.694674614418872

minimum gb energy = 0.6387110675346808 eV
minimum distance =  2.3878638835599 Angstroms
sigma value = 9


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

Energy: 1.4621904463602728
Energy: 1.3009816693000886
Energy: 0.9491050150226633
Energy: 1.0018753624935532
Energy: 1.2997099254271045
Energy: 0.6235750580206377
Energy: 0.6874913232643983
Energy: 0.6371348435700454
Energy: 0.6372251352473334
Energy: 0.6127760033620995
Energy: 0.6370417744925715
Energy: 0.6988243310853026
Energy: 0.6644590383761219
Energy: 0.6372914580629262
Energy: 0.6329315949775006
Energy: 0.6311378327679996
Energy: 0.6371262153940893
Energy: 0.6149358238417427
Energy: 0.763766905579752
Energy: 0.6265928137210641
Energy: 0.6670142034614653
Energy: 0.6298308642983425
Energy: 0.6384620863465266
Energy: 0.6090774042457019
Energy: 0.6249528246610812
Energy: 0.6871966654880899
Energy: 0.6350077230821689
Energy: 0.6619396315566497
Energy: 0.6911535261008777
Energy: 0.6613135591867597
Energy: 0.651830803490801
Energy: 0.562221994856425
Energy: 0.6543170656058408
Energy: 0.6517297699261545
Energy: 0.5622318155195181
Energy: 0.582925267392901
Energy: 0.6459214667416889
Energy: 0.5962521968433219
Energy: 0.6465176171095777
Energy: 0.6467148540527484
Energy: 0.6302790100049906
Energy: 0.6460468078639479
Energy: 0.6231902111309265
Energy: 0.6059544827429053
Energy: 0.6518903124368862
Energy: 0.6240849126070072
Energy: 0.6196133438651749
Energy: 0.6225234519092941
Energy: 0.759841269573913
Energy: 0.6484583243082259
Energy: 0.6936333783394533
Energy: 0.6796401247746889
Energy: 0.6656454048016892
Energy: 0.6561013922064262
Energy: 0.8208700069355065
Energy: 0.6596440096592456
Energy: 0.6097381572492829
Energy: 0.6182906901324249
Energy: 0.6186227364905897
Energy: 0.5638403790585161
Energy: 0.6100968177897496
Energy: 0.6317136915001278
Energy: 0.628168065806395
Energy: 0.6200244112756333
Energy: 0.6318043487996556
Energy: 0.6805076778862413
Energy: 0.760873777935762
Energy: 0.6464300234708252
Energy: 0.6459489568859027
Energy: 0.6295744579717725
Energy: 0.6465426208971474
Energy: 0.6922631980074275
Energy: 1.266715926836928
Energy: 0.9049942247010854
Energy: 0.9481793440066284
Energy: 0.8082785511402186
Energy: 0.9040227893168592
Energy: 0.7773719857164297
Energy: 0.7802605529360093
Energy: 0.6459031719105544
Energy: 0.6329481197913951
Energy: 0.6297436932927329
Energy: 0.6463306896276424
Energy: 0.6905440064456022
Energy: 0.6372419952215818
Energy: 0.6481163254386988
Energy: 0.6517856570039398
Energy: 0.637019218879182
Energy: 0.6475583254286611
Energy: 0.6099735635860469
Energy: 0.6369442255493916
Energy: 0.6289572022900819
Energy: 0.6292277912840136
Energy: 0.6366911479732621
Energy: 0.6301683932381935
Energy: 0.6361372502489975
Energy: 0.635467147799415
Energy: 0.6383132251134462
Energy: 0.6590884606017623
Energy: 0.6357288403306222
Energy: 0.6538651439173383
Energy: 0.6369867451948008
Energy: 0.6863330371809363
Energy: 0.6303987098474123
Energy: 0.6881785633266397
Energy: 0.6848332462518156
Energy: 0.6304746354247888
Energy: 0.6455417995285685
Energy: 0.6640144590695279
Energy: 0.6223915137548909
Energy: 0.6535220704641617
Energy: 0.6320651558178116
Energy: 0.6303072285653439
Energy: 0.6598313017674464
Energy: 0.6585796576710508
Energy: 0.6290718285752082
Energy: 0.6289363259899438
Energy: 0.6278630185993945
Energy: 0.6275947928808344
Energy: 0.6285684391508054
Energy: 0.6651768617284113
Energy: 0.634238504578372
Energy: 0.633028582729652
Energy: 0.6284961860071325
Energy: 0.6293277452554612
Energy: 0.6556931715613866
Energy: 0.6630086460107962
Energy: 0.6373917857916864
Energy: 0.6881300481960552
Energy: 0.6527795011647369
Energy: 0.7235055593966404
Energy: 0.6202899722797226
Energy: 0.6602620885302395
Energy: 0.6374176424186875
Energy: 0.6554286935143627
Energy: 0.6668697477949024
Energy: 0.637006712058327
Energy: 0.6273035603956909
Energy: 0.6566216188985275
Energy: 0.6370546701138576
Energy: 0.6370405358510527
Energy: 0.6543035969854739
Energy: 0.6368985496158303
Energy: 0.6335277328860449
Energy: 0.8859866047221479
Energy: 0.6360187554998261
Energy: 0.82570461655781
Energy: 0.6183529205117453
Energy: 0.6332480144189775
Energy: 0.790236446122638
Energy: 0.6907549870163507
Energy: 0.6022618031070509
Energy: 0.6490765058121079
Energy: 0.6528244417308111
Energy: 0.6298939582389602
Energy: 0.6937964273701073
Energy: 1.0116422422767453
Energy: 0.9270592013323096
Energy: 0.92422590084276
Energy: 1.0120352532410006
Energy: 0.9173699823886539
Energy: 1.1955143636176508
Energy: 0.6470755193206396
Energy: 0.6030439270965836
Energy: 0.6446794899543414
Energy: 0.6471292133264771
Energy: 0.6116892685345309
Energy: 0.646362600727095
Energy: 0.6283309916578325
Energy: 0.6485964010905081
Energy: 0.6268542172576769
Energy: 0.6283537934401369
Energy: 0.6654277284467799
Energy: 0.6291454081400927
Energy: 0.6164089949703594
Energy: 0.6126882559506092
Energy: 0.6827305137582675
Energy: 0.6163978545851405
Energy: 0.6202034497406799
Energy: 0.6187314598326762
Energy: 0.6099246534145522
Energy: 0.6293096150134139
Energy: 0.6162056023538219
Energy: 0.6160830623367765
Energy: 0.6204740435593188
Energy: 0.6949383569849578
Energy: 1.0751188398630287
Energy: 0.6198938732274545
Energy: 0.6187993049172631
Energy: 0.5851178207612878
Energy: 0.6222456686291127
Energy: 0.5919698047736947
Energy: 0.7810202065283225
Energy: 0.6465009042352348
Energy: 0.6459179547198278
Energy: 0.6298719977250151
Energy: 0.6471817393508801
Energy: 0.6655840258993082
Energy: 0.7409978399028828
Energy: 0.6466123520737783
Energy: 0.6400759164802309
Energy: 0.6172682739780382
Energy: 0.6494458185572513
Energy: 0.6564063930630092
Energy: 0.6362309527151605
Energy: 0.6391414714346556
Energy: 0.6336866103452632
Energy: 0.6516974305628009
Energy: 0.6472836697559672
Energy: 0.6895587957808228
Energy: 0.6380578644685295
Energy: 0.648050545753673
Energy: 0.6792841965190077
Energy: 0.6381105635965343
Energy: 0.6389650358147416
Energy: 0.6793088001508467
Energy: 0.6367028340165599
Energy: 0.630285548314934
Energy: 0.655524983157207
Energy: 0.6370531864285297
Energy: 0.643065653512628
Energy: 0.6366262927983075
Energy: 0.6359373545375605
Energy: 0.61828247133622
Energy: 0.6501919192860254
Energy: 0.6359572434888631
Energy: 0.6414518657686045
Energy: 0.6368640552534862
Energy: 1.076226849137433
Energy: 0.9660862875797098
Energy: 0.9662846043379636
Energy: 1.076711652821556
Energy: 0.9692398546552833
Energy: 1.1116107381710916
Energy: 0.6654736603146941
Energy: 0.6184603026785471
Energy: 0.6504042466441117
Energy: 0.635727247185735
Energy: 0.6356425362549264
Energy: 0.6574365082014026
Energy: 0.6565567981364382
Energy: 0.6295331949259442
Energy: 0.6097363518200367
Energy: 0.630340116850563
Energy: 0.6298223205179243
Energy: 0.6294439971724114
Energy: 0.6648906308271799
Energy: 0.6300878244667045
Energy: 0.6300702592836701
Energy: 0.6290679532229637
Energy: 0.6281149084352912
Energy: 0.6551273683124103
Energy: 0.6604604192822101
Energy: 0.6367562458536272
Energy: 0.6364152221815266
Energy: 0.6400484953258224
Energy: 0.6362564120095788
Energy: 0.6756174005474559

minimum gb energy = 0.562221994856425 eV
minimum distance =  2.38440351790044 Angstroms
sigma value = 57


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

Energy: 0.5839816416628694
Energy: 0.43346263157175624
Energy: 0.30480044035024934
Energy: 0.2768844836474274
Energy: 0.5016809132461354
Energy: 0.5743438730837617
Energy: 0.7563211926886841
Energy: 0.47538073838637923
Energy: 0.43622651524238404
Energy: 0.47594311111660464
Energy: 0.4752994275275011
Energy: 0.4362092447322853
Energy: 0.626868913485853
Energy: 0.8896198410093056
Energy: 0.46228274774015743
Energy: 0.49037839177274845
Energy: 0.47271448220202567
Energy: 0.8957155997431768
Energy: 0.6264964178828352
Energy: 0.6183231748512312
Energy: 0.6034182882146624
Energy: 0.6166793437427287
Energy: 0.5728580310083817
Energy: 0.6179165512109952
Energy: 0.6052475509022589
Energy: 0.3829930204227423
Energy: 0.4232907536321526
Energy: 0.5989927140357619
Energy: 0.3816020441267123
Energy: 0.6278038686706947
Energy: 0.612372763919696
Energy: 0.38148195840074994
Energy: 0.38191681069575806
Energy: 0.5940122876791992
Energy: 0.3814709627491791
Energy: 0.41952062951186847
Energy: 0.6119846176192199
Energy: 0.6245480776566599
Energy: 0.4810842430150808
Energy: 0.5800816499627242
Energy: 0.4755494059658993
Energy: 0.6068258710971725
Energy: 0.8692854676514298
Energy: 0.8686266842804392
Energy: 0.8922520576973101
Energy: 0.8585700665668399
Energy: 0.7381143840733463
Energy: 0.8694235155731914
Energy: 0.8639850655572712
Energy: 0.8233779810158459
Energy: 0.679371973856959
Energy: 0.6286290282900526
Energy: 0.6402966177267173
Energy: 0.7702103343136338
Energy: 0.4935400865328997
Energy: 0.6106386482419157
Energy: 0.3040777485294229
Energy: 0.2750017319170338
Energy: 0.6380415334161862
Energy: 0.49088260688197694
Energy: 0.48782706199584724
Energy: 0.4736381233018988
Energy: 0.6423127797021564
Energy: 0.2750740978236825
Energy: 0.6436490592078359
Energy: 0.46166570580857264
Energy: 0.8557954731394192
Energy: 0.7620965116163765
Energy: 0.6125691154868492
Energy: 0.6132675335870209
Energy: 0.6776628688079748
Energy: 0.8241825885167445
Energy: 0.6240477065869274
Energy: 1.5273700308754041
Energy: 1.4046840846775035
Energy: 0.47547176963535864
Energy: 0.5839737383829497
Energy: 1.5143877119392044
Energy: 0.6193589522653211
Energy: 0.5725402537296413
Energy: 0.5729998141165765
Energy: 0.6034488359819825
Energy: 0.4770699570192757
Energy: 0.6203755243829095
Energy: 0.5790488547388309
Energy: 0.3812814758398194
Energy: 0.38240282630592004
Energy: 0.4355346197168182
Energy: 0.3813579837264981
Energy: 0.3818934930059809
Energy: 0.5959316533929471
Energy: 0.47665751755627667
Energy: 0.5840762757900546
Energy: 0.5907797437749998
Energy: 0.381572576742312
Energy: 0.5816186336680395
Energy: 0.6126425569583417
Energy: 0.6127143280522686
Energy: 0.5965620349322209
Energy: 0.6173607828594041
Energy: 0.5703212811809558
Energy: 0.6127809577329996
Energy: 0.6266719827223446
Energy: 0.4636735998509854
Energy: 0.4576988200214997
Energy: 0.4333422630171252
Energy: 0.4728592147664174
Energy: 0.8607967545364966
Energy: 0.5847409337657605
Energy: 0.4728542528365591
Energy: 0.4362770908788293
Energy: 0.27511469357418944
Energy: 0.47954155621589983
Energy: 0.4585330462245182

minimum gb energy = 0.2750017319170338 eV
minimum distance =  2.36539078774706 Angstroms
sigma value = 11


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

Energy: 1.215817561402562
Energy: 0.5469575236918182
Energy: 0.581835878143591
Energy: 1.030237871084635
Energy: 0.5470430169890717
Energy: 0.5817352282976717
Energy: 0.5163807757501605
Energy: 0.5163806898337121
Energy: 0.5671707649592049
Energy: 0.5472038548594267
Energy: 0.5161833285098777
Energy: 0.5627633773168718
Energy: 0.5151862222371891
Energy: 0.5327488465487066
Energy: 0.5295189375323304
Energy: 0.5161607558844555
Energy: 0.5210582808060874
Energy: 0.5364564172722627
Energy: 0.515589033457739
Energy: 0.566849705863703
Energy: 0.5946704037239369
Energy: 0.5161527392428681
Energy: 0.5165749747470412
Energy: 0.5280798309024984
Energy: 0.5168074047032944
Energy: 0.5789517135553784
Energy: 0.5649438945591739
Energy: 0.516618673672283
Energy: 0.5949726591955612
Energy: 0.542709871156083
Energy: 0.5659431071610924
Energy: 0.6200655040763308
Energy: 0.664831997476202
Energy: 0.5658457419908194
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Energy: 0.5790081520157299
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Energy: 0.5615098388619043
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Energy: 0.5202854297118726
Energy: 0.5215286358532161
Energy: 0.5715744774050376
Energy: 0.5195873117254318
Energy: 0.6072716897377449
Energy: 0.56768250846975
Energy: 0.5136645256690147
Energy: 0.5421931190669897
Energy: 0.5314752796485634
Energy: 0.5104238701444525
Energy: 0.5916774275868262
Energy: 1.0418690920499374
Energy: 0.511674442587381
Energy: 0.5817115775772848
Energy: 0.9362632464175952
Energy: 0.511124415759382
Energy: 0.5782988772319124
Energy: 0.7740210850558464
Energy: 0.5815148098986147
Energy: 0.5824543642269027
Energy: 0.5460789119873879
Energy: 0.667008970177661
Energy: 0.5654748588351
Energy: 0.5655216729454422
Energy: 0.4941503841632929
Energy: 0.5539301569559388
Energy: 0.566285036502096
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Energy: 0.5405764857158543
Energy: 0.593820755231808
Energy: 0.4943447519444531
Energy: 0.580679700997855
Energy: 0.5935996262052415
Energy: 0.4953815441864978
Energy: 0.5216591719885755
Energy: 0.5924956545498686
Energy: 0.5526379884433199
Energy: 0.5974805435124972
Energy: 0.5927075756312707
Energy: 0.6036320894324748
Energy: 0.6108866500329702
Energy: 0.5937184348725623
Energy: 0.9386770101819589
Energy: 0.7764849964163091
Energy: 0.5930479168061813
Energy: 0.9375598269922993
Energy: 0.6896954870384662
Energy: 0.5969164924790913
Energy: 0.540303698771183
Energy: 0.5804686053799406
Energy: 0.5956306630103346
Energy: 0.547472441611918
Energy: 0.585002170624682
Energy: 0.8921376256158426
Energy: 0.687482458482769
Energy: 0.7594236495071824
Energy: 0.829737002268311
Energy: 0.6994739880235465
Energy: 0.5569229986669135
Energy: 0.6015060961567622
Energy: 0.6416917978494326
Energy: 0.5822783337449493
Energy: 0.5280711734023028
Energy: 0.5938791983899462
Energy: 0.5973432899505267
Energy: 0.5984006467678513
Energy: 0.593351544170435
Energy: 0.540186479960316
Energy: 0.5103912300836027
Energy: 0.5975223187567428
Energy: 0.5643647247011698
Energy: 0.7119970471061295
Energy: 0.669718996654838
Energy: 0.6997453518849988
Energy: 0.6873173275202031
Energy: 0.6693517706693409
Energy: 0.5490614535759463
Energy: 0.5980070397356174
Energy: 0.5424273043256808
Energy: 0.5542640009211401
Energy: 0.6648712766075131
Energy: 0.5686456776179526
Energy: 0.5624538383416833
Energy: 0.6074312864691812
Energy: 1.0489133021837627
Energy: 0.9313834473617696
Energy: 0.7466993960131755
Energy: 1.0460337514508269
Energy: 0.6770406240192665
Energy: 0.5114467941677835
Energy: 0.5398402102846163
Energy: 0.5541526385513844
Energy: 0.5117180276658964
Energy: 0.5583153365663049
Energy: 0.5568423454889107
Energy: 0.5164299010818268
Energy: 0.5305791158250134
Energy: 0.5298959124185845
Energy: 0.5108375323153297
Energy: 0.5179883059296403
Energy: 0.5110840597066149
Energy: 0.5150989356376896
Energy: 0.5295667220638497
Energy: 0.5287476476467277
Energy: 0.5158621143822442
Energy: 0.5167934623523984
Energy: 0.5884408657290531
Energy: 0.6298987205060068
Energy: 0.530782623229598
Energy: 0.5432851651200503
Energy: 0.5122828617397146
Energy: 0.5165346509970428
Energy: 0.5210895345335764

minimum gb energy = 0.4941503841632929 eV
minimum distance =  2.36260618461991 Angstroms
sigma value = 41


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

Energy: 1.158300581972303
Energy: 0.6272429221757482
Energy: 0.5942693668234634
Energy: 0.8931023960403871
Energy: 1.205879064277841
Energy: 0.6445327135295449
Energy: 0.5741876256571875
Energy: 0.573529622499534
Energy: 0.6051300588041565
Energy: 0.596442537693425
Energy: 0.5735987324190768
Energy: 0.5817611007061715
Energy: 0.5753089904609276
Energy: 0.5955278768532438
Energy: 0.5954438510264716
Energy: 0.5752019539745548
Energy: 0.5755167277313804
Energy: 0.5999369315965897
Energy: 0.5748665488244518
Energy: 0.598660232164494
Energy: 0.6137919018179611
Energy: 0.5747400513544483
Energy: 0.5737766537220406
Energy: 0.5934849746553741
Energy: 0.5746227395190795
Energy: 0.6231121716912433
Energy: 0.5951231771281755
Energy: 0.5745518581253575
Energy: 0.5689408364834043
Energy: 0.620298769065497
Energy: 0.7409423632776977
Energy: 0.5811971389119455
Energy: 0.7181705871995441
Energy: 0.7408477921754759
Energy: 0.5693588468164352
Energy: 0.7183750325512861
Energy: 0.6552883697247762
Energy: 0.6074532643947834
Energy: 0.6533574292126757
Energy: 0.5736634924138367
Energy: 0.5942079480620037
Energy: 0.6254351994458838
Energy: 0.6552045692996777
Energy: 0.5918661345859486
Energy: 0.592034903066083
Energy: 0.6565268756679103
Energy: 0.5919331221179598
Energy: 0.6118276661749534
Energy: 0.6542813899666597
Energy: 0.5940663361081543
Energy: 0.5833948527315849
Energy: 0.5879963753335808
Energy: 0.6254602375337248
Energy: 0.5969697136327873
Energy: 0.8744147526243289
Energy: 0.5703681417897766
Energy: 0.5698312234634149
Energy: 0.7929802818891372
Energy: 0.5703777382728934
Energy: 0.6095105000262188
Energy: 0.6545475426787982
Energy: 0.6097822920668527
Energy: 0.6090998655438782
Energy: 0.5752863349892547
Energy: 0.5853163699766515
Energy: 0.6093937000744857
Energy: 0.6552276956014432
Energy: 0.5523674811408072
Energy: 0.6510953248794626
Energy: 0.6550408874625734
Energy: 0.5376369330205011
Energy: 0.6093732780090727
Energy: 0.5701937746168216
Energy: 0.5377076454717962
Energy: 0.6426290363126832
Energy: 0.5702022701044326
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Energy: 0.64498749099354
Energy: 0.625169320658115
Energy: 0.6094627545384887
Energy: 0.5958578321615798
Energy: 0.6253060429108547
Energy: 0.5995969855160583
Energy: 0.5972903887499431
Energy: 0.5926804999217742
Energy: 0.6593003390627274
Energy: 0.6596258019567496
Energy: 0.592753843819958
Energy: 0.8598167158966338
Energy: 0.5929163301484677
Energy: 0.5736867843837977
Energy: 0.5733532399888227
Energy: 0.6235504581859738
Energy: 0.5850718536945801
Energy: 0.5734605071799049
Energy: 0.595519781486821
Energy: 1.1604846314460584
Energy: 0.5868301612175746
Energy: 0.5380727140573641
Energy: 0.9130759307345127
Energy: 0.816593987689167
Energy: 0.8992130786721416
Energy: 0.7010086110971679
Energy: 0.5740998469588204
Energy: 0.6209674716907017
Energy: 0.622684896473217
Energy: 0.5743000813422768
Energy: 0.5712134495993645
Energy: 0.5743556251466272
Energy: 0.5938758387483168
Energy: 0.5943424443699901
Energy: 0.5741915965455061
Energy: 0.5748710894915047
Energy: 0.5947429907365737
Energy: 0.5754087987387733
Energy: 0.5932905236227016
Energy: 0.5830259676157858
Energy: 0.5755325386423767
Energy: 0.5746601991284936
Energy: 0.595162280460489
Energy: 0.5738910732863671
Energy: 0.5940377556764
Energy: 0.5830829942779819
Energy: 0.5738324752797629
Energy: 0.582651665438643
Energy: 0.6202538948965591
Energy: 0.8591342401120594
Energy: 0.8152097162157393
Energy: 0.8557346086427822
Energy: 0.8589261049237256
Energy: 0.8150797701075567
Energy: 0.8639649012515448
Energy: 0.6545536595818381
Energy: 0.594076774189111
Energy: 0.583284354563097
Energy: 0.5735194999725295
Energy: 0.5835600654466029
Energy: 0.624146865492755
Energy: 0.6546288447489726
Energy: 0.5929639248813615
Energy: 0.5932875024934996
Energy: 0.60846904149631
Energy: 0.569894880797776
Energy: 0.6523162232176613
Energy: 0.6551996466423842
Energy: 0.569235475728187
Energy: 0.5937205023928116
Energy: 0.5737475511668141
Energy: 0.5692025063414424
Energy: 0.6140180422415641
Energy: 0.6542396553263439
Energy: 0.5945434394346537
Energy: 0.6089708241930522
Energy: 0.573427805352257
Energy: 0.5694260035932532
Energy: 0.6133089883685372
Energy: 0.8742426959346182
Energy: 0.5701038645350375
Energy: 0.6091953825848769
Energy: 0.7931267457483068
Energy: 0.6553453953393005
Energy: 0.6094952749298023
Energy: 0.6529653292498485
Energy: 0.5517275308992117
Energy: 0.6288440597625362
Energy: 0.5755398908330434
Energy: 0.5371872309692269
Energy: 0.6629389155471773
Energy: 0.5701143959423557
Energy: 0.9204197658640358
Energy: 0.5994509505287176
Energy: 0.5700556267314628
Energy: 1.0834628484711306
Energy: 0.7635082838902145
Energy: 0.6249518156826661
Energy: 0.6090297558725303
Energy: 0.5988289077018735
Energy: 0.6248804100057419
Energy: 0.6092019008343528
Energy: 0.6282843750509298
Energy: 0.5694665689331496
Energy: 0.6384513710156826
Energy: 0.5702723745794986
Energy: 0.5695715330874442
Energy: 0.5953193654570071
Energy: 0.5703934118805746
Energy: 0.5735781555390422
Energy: 0.5928132722044009
Energy: 0.5930480150472643
Energy: 0.5734924184488391
Energy: 0.5740997610358463
Energy: 0.659662824300427
Energy: 0.6974149416725828
Energy: 0.6008916898365221
Energy: 0.5707252277463072
Energy: 0.5406125230568135
Energy: 0.6539561095889458
Energy: 0.5660009387604076

minimum gb energy = 0.5371872309692269 eV
minimum distance =  2.34976377938445 Angstroms
sigma value = 33


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

Energy: 0.7897832452683242
Energy: 0.7283005111635888
Energy: 1.0840363931827361
Energy: 0.7538956631159741
Energy: 0.7336680391405188
Energy: 0.9441430514751704
Energy: 0.6990064731687523
Energy: 0.6311020325185541
Energy: 0.6328099897241632
Energy: 0.6611423853039848
Energy: 0.632698291802282
Energy: 0.6642649804286089
Energy: 0.7004663145530636
Energy: 0.7147634651031678
Energy: 0.6418015647484387
Energy: 0.7133163484499805
Energy: 0.6531507451828555
Energy: 0.6756206812521423
Energy: 0.6965567871440479
Energy: 0.6317648509135994
Energy: 0.6649241073146261
Energy: 0.7029327257338659
Energy: 0.7166818254392303
Energy: 0.634068843132639
Energy: 0.696189513821899
Energy: 0.641174003417404
Energy: 0.7161197658525006
Energy: 0.6993733864079157
Energy: 0.6865085669300999
Energy: 0.7456827525741024
Energy: 0.7705752740528644
Energy: 0.8648002344127845
Energy: 0.8736089583461913
Energy: 0.7710565168946553
Energy: 0.9417939584993139
Energy: 0.864373079442976
Energy: 0.750839873596765
Energy: 0.7122402546528109
Energy: 0.6329474316135982
Energy: 0.7181170307884205
Energy: 0.6362720850592714
Energy: 0.6301022646443518
Energy: 0.7879715940631454
Energy: 0.7264419252231632
Energy: 0.6381665993021798
Energy: 0.7896466052634232
Energy: 0.7261378921741279
Energy: 0.6373622672005662
Energy: 0.7494495970678292
Energy: 0.6647009966971625
Energy: 0.6590249328389378
Energy: 0.7521436570312923
Energy: 0.6704572916496723
Energy: 0.6821188317615648
Energy: 0.8150866213475108
Energy: 0.7061228068463837
Energy: 0.706580533207075
Energy: 0.7076020938084508
Energy: 0.7065908541447795
Energy: 0.6786558687060272
Energy: 0.8148861906096486
Energy: 0.7204299867235605
Energy: 0.7057433309953498
Energy: 0.7019741205807732
Energy: 0.7127988606654801
Energy: 0.6576104978307035
Energy: 0.752179154966208
Energy: 0.5879750830978691
Energy: 0.5875443514246078
Energy: 0.7532521757472831
Energy: 0.5913682656405247
Energy: 0.708119093658253
Energy: 0.7806047982725502
Energy: 0.588029850414122
Energy: 0.5876616068690791
Energy: 0.7720860977772296
Energy: 0.5930944881776287
Energy: 0.7105010092346824
Energy: 0.6994111460916645
Energy: 0.6598376801925638
Energy: 0.6573382095149919
Energy: 0.6997144510589348
Energy: 0.7193824890859858
Energy: 0.656996815914047
Energy: 0.6324945101571333
Energy: 0.679880316979613
Energy: 0.6801074353388517
Energy: 0.7034418294173456
Energy: 0.7486680917440901
Energy: 0.7014701380462219
Energy: 0.6992135383227208
Energy: 0.7117677595615417
Energy: 0.7336299115976772
Energy: 0.707079603703804
Energy: 0.7122921898322974
Energy: 0.6835031421138609
Energy: 1.121209510701897
Energy: 0.7898054245418639
Energy: 0.8754952272059578
Energy: 0.9424279265067967
Energy: 0.7895790742408223
Energy: 0.8622489842080507
Energy: 0.793169060351218
Energy: 0.7588791488620605
Energy: 0.7372520852033647
Energy: 0.6798392918252982
Energy: 0.7473544639904581
Energy: 0.6640852525757379
Energy: 0.6990480659620928
Energy: 0.6326046818631028
Energy: 0.619392212839355
Energy: 0.7039794015188812
Energy: 0.7275976896162991
Energy: 0.677164871016176
Energy: 0.6741142658442792
Energy: 0.6319358414473294
Energy: 0.619930236818201
Energy: 0.6719750719479177
Energy: 0.7411961218785668
Energy: 0.7067283774396454
Energy: 0.6576929114995773
Energy: 0.6750719159319489
Energy: 0.6535185541865701
Energy: 0.6582132085499942
Energy: 0.6742595106819109
Energy: 0.6551965243778546
Energy: 0.9101812750890619
Energy: 0.7352675078358789
Energy: 0.714559087614128
Energy: 0.9105064865225627
Energy: 0.7132940502769837
Energy: 0.9092898450310064
Energy: 0.7777823995114805
Energy: 0.6893382751860341
Energy: 0.659364344783541
Energy: 0.6793720307061538
Energy: 0.6811214450206005
Energy: 0.6477811906473975
Energy: 0.6892029676763577
Energy: 1.1129130684752135
Energy: 0.9031830676350089
Energy: 1.0817384940409012
Energy: 1.0121239017581423
Energy: 0.6821938478763878
Energy: 0.7551692720272599
Energy: 0.6807128327013839
Energy: 0.6777237152909035
Energy: 0.588705685791282
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Energy: 0.6625937027593056
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Energy: 0.7044625795640076
Energy: 0.6779951242067584
Energy: 0.7134734290324466
Energy: 0.7105716990892533
Energy: 0.6678710450218925
Energy: 0.712058296536695
Energy: 0.6770290613518254
Energy: 0.6587022372873811
Energy: 0.7125903388909507
Energy: 0.7016450789357846
Energy: 0.6710345130199431
Energy: 0.7100779346769792
Energy: 0.6980391735822961
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Energy: 0.7179564192855337
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Energy: 0.8645533483662089
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Energy: 0.667293738897781
Energy: 0.7044886593442468
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Energy: 0.7579760456130737
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Energy: 0.5885613450720074
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Energy: 0.6993866913351803
Energy: 0.7072941237283469
Energy: 0.6583474042572695
Energy: 0.702366234253708
Energy: 0.7032997251716259
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Energy: 0.6953390432877347
Energy: 0.6570667557043882
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Energy: 0.7086517268249206
Energy: 0.6989046916407775
Energy: 0.7330527980111766
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Energy: 0.6727985773198348
Energy: 0.7080914425743798
Energy: 0.672476792232896
Energy: 1.0989387879973855
Energy: 0.7783974615287761
Energy: 0.786583703068926
Energy: 0.9424175215639502
Energy: 0.7795207951938412
Energy: 0.8618760220066911
Energy: 0.791312007148822
Energy: 0.7535046896230718
Energy: 0.7300296646131741
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Energy: 0.7435981580606001
Energy: 0.6671867023967611
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Energy: 0.628982480882826
Energy: 0.6204075147983567
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Energy: 0.68211066282699
Energy: 0.7151596817718728
Energy: 0.6335527434395609
Energy: 0.6530263287125488
Energy: 0.7036899037532329
Energy: 0.7289496150642775
Energy: 0.6201649726246716
Energy: 0.6444845710175915
Energy: 0.624724869325146
Energy: 0.6504429455450558
Energy: 0.648006976540823
Energy: 0.7722643612864135
Energy: 0.6135351713674441
Energy: 0.713748919786891
Energy: 0.678499790173704
Energy: 0.8962874270051625
Energy: 0.7238915215245535
Energy: 1.0862923911014213
Energy: 0.7119655766817045
Energy: 0.6954432290027183
Energy: 0.7094974637238028
Energy: 0.6328975256711774
Energy: 0.653120848836259
Energy: 0.6321947390005423
Energy: 0.6643832005432081
Energy: 1.00737835768582
Energy: 0.8929366715466535
Energy: 0.8827845636341843
Energy: 0.5913681341304624
Energy: 0.8927962031224885
Energy: 0.9227521469681395

minimum gb energy = 0.5872173034018259 eV
minimum distance =  2.34894519265996 Angstroms
sigma value = 67


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

Energy: 0.9067426134491706
Energy: 1.284962158641985
Energy: 0.6251620992886978
Energy: 0.9083725193357285
Energy: 1.2853142429277669
Energy: 0.6237915255756
Energy: 0.6999843782539185
Energy: 0.6261410989711785
Energy: 0.6250629812637948
Energy: 0.7064751106324639
Energy: 0.683729493780498
Energy: 0.620228863961585
Energy: 0.7038495983023896
Energy: 0.6034723792529821
Energy: 0.6337992364452131
Energy: 0.7036164814893887
Energy: 0.6033892089926063
Energy: 0.6337830667404591
Energy: 0.7017577410652337
Energy: 0.6317754930568943
Energy: 0.6314009296289306
Energy: 0.7018485749628071
Energy: 0.6324588368951359
Energy: 0.6314828787328457
Energy: 0.6955024328782129
Energy: 0.642009735507588
Energy: 0.6420188188124519
Energy: 0.6960014390480636
Energy: 0.6414846514983747
Energy: 0.6419576382908334
Energy: 0.6973016047930414
Energy: 0.6297798343074495
Energy: 0.648556770789651
Energy: 0.6973729669551718
Energy: 0.6974021388021696
Energy: 0.6489191764369655
Energy: 0.791926148623734
Energy: 0.6971457644042427
Energy: 0.6396412074431367
Energy: 0.7884558482870919
Energy: 0.6970121309310704
Energy: 0.6189514264588889

minimum gb energy = 0.6033892089926063 eV
minimum distance =  2.41773523499954 Angstroms
sigma value = 3


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

Energy: 1.1494402142792544
Energy: 1.3188378663395963
Energy: 0.7827767858724559
Energy: 1.1511186326763183
Energy: 1.3178451917932303
Energy: 0.7782944459721745
Energy: 0.6809860412610587
Energy: 0.7456277449942036
Energy: 0.7398982789833473
Energy: 0.7849951358928351
Energy: 0.7857578720030304
Energy: 0.68390002403354
Energy: 0.6806432398198319
Energy: 0.6777090225113597
Energy: 0.6777065033886304
Energy: 0.6806596034540586
Energy: 0.6768414051678463
Energy: 0.6809117376172439
Energy: 0.6846902761415326
Energy: 0.6818225106953638
Energy: 0.6813857279202565
Energy: 0.6854839082154152
Energy: 0.7108444946797428
Energy: 0.6813077914839772
Energy: 0.6879803471649809
Energy: 0.6828610379169912
Energy: 0.681324987591715
Energy: 0.6882672993134364
Energy: 0.7337102525066986
Energy: 0.681524986385705
Energy: 0.6803209575484234
Energy: 0.7353345823022448
Energy: 0.6823758762766852
Energy: 0.6806434607934387
Energy: 0.7997442553787059
Energy: 0.6816308427884143
Energy: 0.6808223282646072
Energy: 0.7833996662965174
Energy: 0.73779179618685
Energy: 0.7126930197130241
Energy: 0.784695281517333
Energy: 0.7433046677507762
Energy: 1.0843186418624462
Energy: 0.8937070821044463
Energy: 0.8456522812251778
Energy: 0.8999754584937505
Energy: 0.9089941515824399
Energy: 0.828462141472113
Energy: 0.6821595255968981
Energy: 0.76667268681175
Energy: 0.7386695614826115
Energy: 0.6821497760327214
Energy: 0.7030887044383588
Energy: 0.69516147155531
Energy: 0.6805866029704728
Energy: 0.6841975925089842
Energy: 0.6843341888817214
Energy: 0.6806523120599222
Energy: 0.6843859363525828
Energy: 0.6778077464105293
Energy: 0.7857223157507449
Energy: 0.6769529998069959
Energy: 0.6767243601371541
Energy: 0.7867897108538534
Energy: 0.7130608201560912
Energy: 0.6836102575072681
Energy: 0.7888672947919517
Energy: 0.7260753563045008
Energy: 0.681480722551855
Energy: 0.7892983192306524
Energy: 0.680888425147
Energy: 0.682294854980413
Energy: 0.7503015174746622
Energy: 0.6810873211040982
Energy: 0.6812262865591012
Energy: 0.7519875174867998
Energy: 0.6806727625796019
Energy: 0.6815253103453308
Energy: 0.7814954425861894
Energy: 0.6808532527803693
Energy: 0.6812966323444125
Energy: 0.7821958297979259
Energy: 0.6832244631151114
Energy: 0.6814305629863711
Energy: 0.7991201877596944
Energy: 0.7156289487367534
Energy: 0.7167255135203925
Energy: 0.717697050366832
Energy: 0.7146557616274546
Energy: 0.7382183062765825
Energy: 0.7819223087301839
Energy: 0.6820411843015081
Energy: 0.6808780525433551
Energy: 0.7832385206034838
Energy: 0.8014676340134989
Energy: 0.6809972420796659
Energy: 0.9115032584370097
Energy: 0.7170714316241085
Energy: 0.700841978147711
Energy: 0.9074141202129337
Energy: 0.6824216975248651
Energy: 0.7201576412147523
Energy: 0.7177294950165388
Energy: 0.698038259438759
Energy: 0.7419947602868883
Energy: 0.7178584015832223
Energy: 0.7839350784273705
Energy: 0.7040743340012621
Energy: 0.7520218170810826
Energy: 0.8031838079547705
Energy: 0.7383179372240571
Energy: 0.7151871135972779
Energy: 0.681213876865464
Energy: 0.6840286505065827
Energy: 0.8443398982283437
Energy: 0.7186415462545789
Energy: 0.6810361293469264
Energy: 0.7162586167168521
Energy: 0.7184471306424309
Energy: 0.6843409934949335
Energy: 0.7259328235481795
Energy: 0.7184847255061972
Energy: 0.7417731848795919
Energy: 0.7264566449625165
Energy: 0.7235222407002699
Energy: 0.7033093502751354
Energy: 0.7175247295538806
Energy: 0.7013693237136154
Energy: 0.7011469155577799
Energy: 0.7193384011165399
Energy: 0.7204420412754758
Energy: 0.7008676794756763
Energy: 0.7175709560030686
Energy: 0.7015943190124477
Energy: 0.7402156630666501
Energy: 0.7191106492451401
Energy: 0.7344324216244872
Energy: 0.738521822034987
Energy: 0.719077498583117
Energy: 0.6817934167734462
Energy: 0.7375589682366466
Energy: 0.718859805728655
Energy: 0.6823911837508883
Energy: 0.7218360815954654
Energy: 0.6869959555739261
Energy: 0.7389626766697617
Energy: 0.6817498903063454
Energy: 0.6876382160340075
Energy: 0.7830412788535376
Energy: 0.6809505856167756
Energy: 0.8636984247940974
Energy: 0.7183339253848006
Energy: 0.6838199406998494
Energy: 0.7678587338380565
Energy: 0.7178144287822968
Energy: 0.6771635033549276
Energy: 0.6869060327775325
Energy: 0.7320502669974326
Energy: 0.6837300023098847
Energy: 0.7663737847391456
Energy: 0.7815514488612878
Energy: 0.6769842702563341
Energy: 0.6850229149358467
Energy: 0.7636856737993412
Energy: 0.6809828603911346
Energy: 0.681234360290841
Energy: 0.747141337371817
Energy: 0.6811066429511765
Energy: 0.680386118321338
Energy: 0.6786972536869971
Energy: 0.6784673074325429
Energy: 0.6804221146950389
Energy: 0.6776799859966666
Energy: 0.681351932302514
Energy: 0.6813207943614662
Energy: 0.680973721167074
Energy: 0.6808307077577893
Energy: 0.6825020056860764
Energy: 0.7838127078330885
Energy: 0.6807427112898349
Energy: 0.6803754958894311
Energy: 0.738351294314892
Energy: 0.6835736451894766
Energy: 0.6804489255841834
Energy: 0.7195527769703491
Energy: 0.6825925018683178
Energy: 0.6858528245613684
Energy: 0.7334935774006894
Energy: 0.7405738898889264
Energy: 0.6863452253770537
Energy: 0.7842308289053409
Energy: 0.6827123874064058
Energy: 0.8976767819320454
Energy: 0.7817916110416786
Energy: 0.7121425141926536
Energy: 0.7688339309210159
Energy: 0.7881577857163425
Energy: 0.6806710593795886
Energy: 0.7177808476333648
Energy: 0.699590651828205
Energy: 0.6833850392627442
Energy: 0.7322470569233097
Energy: 0.6804144614697539
Energy: 0.6848227816508561
Energy: 0.6807034255563558
Energy: 0.6764803604530535
Energy: 0.6766648956235048
Energy: 0.6807879322093643
Energy: 0.8147939291030593
Energy: 0.6826408231451022
Energy: 0.7807012189001057
Energy: 0.6844285859038147
Energy: 0.6839113298626369
Energy: 0.734257397449606
Energy: 0.6844051558874361
Energy: 0.6777535117219835
Energy: 0.781789829381328
Energy: 0.6825950014572604
Energy: 0.683334084942499
Energy: 0.7831490786484713
Energy: 0.7037252477547116
Energy: 0.7398525632552496
Energy: 0.7508827204390033
Energy: 0.6810321541577021
Energy: 0.6821926202713778
Energy: 0.750901598517085
Energy: 0.6809274101609085
Energy: 0.7272649512935517
Energy: 0.7839458700458815
Energy: 0.6839757176526703
Energy: 0.6810229239741693
Energy: 0.785344268512932
Energy: 0.6839125525906296
Energy: 0.6807691268120772
Energy: 0.7976628941175687
Energy: 0.6811070738614381
Energy: 0.6811221071400918
Energy: 0.7196735727749163
Energy: 0.6806971541870667
Energy: 0.6813498402024644
Energy: 0.7359575302273444
Energy: 0.8023171872666278
Energy: 0.681776909728155
Energy: 0.7367281282242932
Energy: 0.812874222042293
Energy: 0.6815417733900265
Energy: 0.7811816004140256
Energy: 0.736441268244581
Energy: 0.7369476202205606
Energy: 0.7814902116569583
Energy: 0.6975846456456382
Energy: 0.7069835403328689
Energy: 0.7180526930701842
Energy: 0.6812704182624227
Energy: 0.736041690591378
Energy: 0.7178827264685246
Energy: 0.681562044399975
Energy: 0.7370740116136258
Energy: 0.7182613166912079
Energy: 0.7517215556455388
Energy: 0.6809322163215532
Energy: 0.7331080924813095
Energy: 0.8013899293477161
Energy: 0.6821149870522227
Energy: 1.0216379383940932
Energy: 0.7310137669781317
Energy: 0.7408399796126074
Energy: 1.0231874673894488
Energy: 0.7311627191398122
Energy: 0.7419923463981551
Energy: 0.7186761415664678
Energy: 0.7191890632566882
Energy: 0.7375787909657054
Energy: 0.7197042009724216
Energy: 0.7199357524600702
Energy: 0.7367242104595292
Energy: 0.7176960884545089
Energy: 0.7393233951865885
Energy: 0.7016898982573025
Energy: 0.7197718171854819
Energy: 0.7198349589357451
Energy: 0.7008224236280172
Energy: 0.724017974721888
Energy: 0.7211409382303207
Energy: 0.704304272342297
Energy: 0.7248568758315559
Energy: 0.7201462530652266
Energy: 0.7403087366434044
Energy: 0.7230468207592156
Energy: 0.6808357555489206
Energy: 0.6813489893616882
Energy: 0.7236403388353454
Energy: 0.698241243299507
Energy: 0.681232151570436
Energy: 0.6804175485263882
Energy: 0.6815430658899535
Energy: 0.6806630547646456
Energy: 0.6804989375357148
Energy: 0.6802336688951086
Energy: 0.6808280600040966
Energy: 0.6768381528860127
Energy: 0.7517586926390051
Energy: 0.7027933225327508
Energy: 0.7126848683197146
Energy: 0.7180559361684161
Energy: 0.7427662188614215

minimum gb energy = 0.6764803604530535 eV
minimum distance =  2.3428422765753 Angstroms
sigma value = 81


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

Energy: 1.3305261133677921
Energy: 0.7223376638611968
Energy: 0.7385912667019177
Energy: 0.8444987074663238
Energy: 0.7745428687711652
Energy: 0.7866024908786013
Energy: 0.7583722145594024
Energy: 0.7123770936550369
Energy: 0.7038500520278739
Energy: 0.7301777085670967
Energy: 0.7376720487640296
Energy: 0.7276173712952392
Energy: 0.8525622823775435
Energy: 0.7300008778315535
Energy: 0.7077214643966394
Energy: 0.703325156398373
Energy: 0.7541790485233411
Energy: 0.8099929093492862
Energy: 0.7581428427182241
Energy: 0.755039494556656
Energy: 0.7652754360703917
Energy: 0.7645225716970054
Energy: 0.7542628213436497
Energy: 0.7028998974914514
Energy: 0.7581500787565791
Energy: 0.7891179746909869
Energy: 0.7909773108989987
Energy: 0.7644459866961251
Energy: 0.7813104803865984
Energy: 0.7288385562694228
Energy: 0.8946904009673766
Energy: 0.7863778219276137
Energy: 0.7861438909953173
Energy: 0.9012699590296683
Energy: 0.7889524221355414
Energy: 0.75548466024083
Energy: 0.8952892727453812
Energy: 0.7114657809675344
Energy: 0.733426091253086
Energy: 0.9074551713988914
Energy: 0.712133462044165
Energy: 0.7897668207803722
Energy: 0.8968959965055711
Energy: 0.8686837095102989
Energy: 0.8673569686276488
Energy: 0.8965888128443722
Energy: 0.9231166460885862
Energy: 0.7392707507415076
Energy: 0.927473369499788
Energy: 0.7448890586230639
Energy: 0.7636316718018084
Energy: 0.9127456519485275
Energy: 0.7740219426271239
Energy: 0.7884769431024621
Energy: 0.7701982091269683
Energy: 0.7169154991099962
Energy: 0.7165889850373485
Energy: 0.7997351729637573
Energy: 0.7172127074710644
Energy: 0.7167745355259137
Energy: 0.7925128570143116
Energy: 0.728998547655283
Energy: 0.7157699382636429
Energy: 0.7929117241036936
Energy: 0.7060160547267113
Energy: 0.7780009291557574
Energy: 0.7732181269140452
Energy: 0.7450127863519431
Energy: 0.7419159449121816
Energy: 0.7734258842453997
Energy: 0.7489614641193777
Energy: 0.7672898388752112
Energy: 0.7564415444535207
Energy: 0.7384261367897132
Energy: 0.7377794484376367
Energy: 0.7545507048559735
Energy: 0.7663477221640377
Energy: 0.7323061082577026
Energy: 0.789138872098574
Energy: 0.7648431758391324
Energy: 0.77855299564244
Energy: 0.8279430039630408
Energy: 0.7664392692788793
Energy: 0.7772630046595421
Energy: 0.9440983120364939
Energy: 0.7998685428957093
Energy: 0.8000433660549366
Energy: 0.7699740971853409
Energy: 0.8127515285676622
Energy: 0.7688552769991976
Energy: 0.7887953313007651
Energy: 0.7688541185168585
Energy: 0.7683121562056942
Energy: 0.7899828806674296
Energy: 0.8864953941685172
Energy: 0.7675061464979412
Energy: 0.9317858324701987
Energy: 0.7069538871634176
Energy: 0.740489480839391
Energy: 0.9318080518269373
Energy: 0.7516179343848092
Energy: 0.7401200032899796
Energy: 0.7288817371754926
Energy: 0.7521070603774147
Energy: 0.7525111982736231
Energy: 0.7290326027983391
Energy: 0.7393625860896782
Energy: 0.7563469930167545
Energy: 0.6637654120143213
Energy: 0.89806941866172
Energy: 0.6618398526281972
Energy: 0.6651129735659007
Energy: 0.895079870438837
Energy: 0.6620966939091774
Energy: 0.6653259434080309
Energy: 0.7762484333915014
Energy: 0.6619841164774846
Energy: 0.6616128811302496
Energy: 0.7749395607951585
Energy: 0.6622546520489839
Energy: 0.7290822453149503
Energy: 0.7395819920179793
Energy: 0.7520280658231708
Energy: 0.7289730308890138
Energy: 0.7396867926342896
Energy: 0.7550385205318875
Energy: 0.779788912886191
Energy: 0.7302390994631073
Energy: 0.7601068246007862
Energy: 0.7821177732653725
Energy: 0.7577227495304586
Energy: 0.7895077754338258
Energy: 0.7870096812762776
Energy: 0.7615025995899716
Energy: 0.7747175785432885
Energy: 0.7871361023436606
Energy: 0.7395261263426866
Energy: 0.7824782810468829
Energy: 0.7999135423982314
Energy: 0.8073421813729821
Energy: 0.7741333319562513
Energy: 0.7734987814169971
Energy: 0.8066899832256863
Energy: 0.7743148105248044
Energy: 0.9175968944211922
Energy: 0.7401631878537254
Energy: 0.7809495835341725
Energy: 0.9561193091899877
Energy: 0.7629470691735335
Energy: 0.7820238642119851
Energy: 0.7606510584076891
Energy: 0.7399672043873506
Energy: 0.7637195300662329
Energy: 0.7495815460283503
Energy: 0.7658719077032284
Energy: 0.7612685635875982
Energy: 0.7602528585556867
Energy: 0.7602093658011974
Energy: 0.76456882588859
Energy: 0.7601871955644186
Energy: 0.7495027680452817
Energy: 0.7641505182710231
Energy: 0.9176597746041668
Energy: 0.7287662595591236
Energy: 0.7941682065934729
Energy: 0.9182562050709699
Energy: 0.7057276072459511
Energy: 0.7778429147657296
Energy: 0.7706647784449875
Energy: 0.7175624555691756
Energy: 0.7171750482454241
Energy: 0.8063116041681884
Energy: 0.7125563532016527
Energy: 0.7168368765358222
Energy: 0.8003995291993691
Energy: 0.7657459359629211
Energy: 0.7634030527221437
Energy: 0.7792992426225215
Energy: 0.7738577781598628
Energy: 0.7818960339187657
Energy: 0.7570942165139656
Energy: 0.8119901500721294
Energy: 0.7092550784896483
Energy: 0.7571698628837583
Energy: 0.8255598471630959
Energy: 0.706337354561935
Energy: 0.8014745363009195
Energy: 0.709121687620905
Energy: 0.7089521398924569
Energy: 0.7724876964282545
Energy: 0.7128319032921637
Energy: 0.756316213820588
Energy: 0.7620571131812779
Energy: 0.781141414170476
Energy: 0.7851971774515457
Energy: 0.7869511699244831
Energy: 0.774968275048268
Energy: 0.7843069649046077
Energy: 0.7619402321662401
Energy: 0.8301065344007756
Energy: 0.7831531986834793
Energy: 0.7677818950346756
Energy: 0.9113086646100688
Energy: 0.7426954184531802
Energy: 0.761651727806477
Energy: 0.7283062116964188
Energy: 0.7943584764418815
Energy: 0.7680075579182885
Energy: 0.7532965448301253
Energy: 0.7278208581062151
Energy: 0.7789668061286779
Energy: 0.7070587263522916
Energy: 0.7072219259765556
Energy: 0.7035539205861396
Energy: 0.7509567200302412
Energy: 0.8099765052321696
Energy: 0.779192451898171
Energy: 0.7364591762329195
Energy: 0.7041086556513121
Energy: 0.729446938793259
Energy: 0.8639354268407116
Energy: 0.7266817524006337
Energy: 1.3302449738290147
Energy: 0.7749410925077541
Energy: 0.7389273099359569
Energy: 0.724782995435725
Energy: 0.7245065207500903
Energy: 0.7593145661320386

minimum gb energy = 0.6616128811302496 eV
minimum distance =  2.32228964514056 Angstroms
sigma value = 43


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

Energy: 1.244867630276496
Energy: 0.9008758624070466
Energy: 0.8281861580494874
Energy: 0.9318519853305529
Energy: 0.8442487702659695
Energy: 0.747210095987834
Energy: 0.828604033476703
Energy: 0.7547305399826658
Energy: 0.7427867691377597
Energy: 0.7959218666506728
Energy: 0.7544841685809791
Energy: 0.7076201398983132
Energy: 0.9286409535533021
Energy: 0.6959363437706189
Energy: 0.6963107989853692
Energy: 0.929074861806004
Energy: 0.6949513096034969
Energy: 0.7083479016293278
Energy: 0.7090021806933091
Energy: 0.6955551250196734
Energy: 0.7076356190941198
Energy: 0.7075464631519224
Energy: 0.7698110767046339
Energy: 0.707767259189294
Energy: 0.707520939182926
Energy: 0.7079006113849827
Energy: 0.747414705205339
Energy: 0.707855840823682
Energy: 0.7078800505017865
Energy: 0.7387177236280277
Energy: 0.7081668045575988
Energy: 0.7078060875868538
Energy: 0.7476493123342806
Energy: 0.708447564410808
Energy: 0.7081336887675601
Energy: 0.7074689250608198
Energy: 0.7075389053797467
Energy: 0.7070372033555048
Energy: 0.7069971015526773
Energy: 0.7075460079792941
Energy: 0.7080255403767297
Energy: 0.7073784720808943
Energy: 0.857389254022264
Energy: 0.7119047458755253
Energy: 0.7689831171246578
Energy: 0.7253300037486851
Energy: 0.712365046669403
Energy: 0.7437319880301592
Energy: 0.7128206037016327
Energy: 0.7082956134245696
Energy: 0.7080936106315875
Energy: 0.71266969178256
Energy: 0.8326268213605192
Energy: 0.708156932165945
Energy: 0.7124348779781868
Energy: 0.7092038057666344
Energy: 0.7098496923519082
Energy: 0.7124166675742751
Energy: 0.7088240431747408
Energy: 0.7557221684870652
Energy: 0.6988551442176211
Energy: 0.7568863075863366
Energy: 0.7588555728753718
Energy: 0.6990311606514639
Energy: 0.7085422954876596
Energy: 0.7432564513606862
Energy: 0.7291169908168522
Energy: 0.8327981594228118
Energy: 0.7078120837830424
Energy: 0.6954777153040912
Energy: 0.9338609755923726
Energy: 0.7079994433188991
Energy: 0.7286560336507462
Energy: 0.7080085533792061
Energy: 0.7528691088156805
Energy: 0.7464595855744817
Energy: 0.7651561278229922
Energy: 0.7188941305432106
Energy: 0.699314945266614
Energy: 0.7075790150001251
Energy: 0.7081495965543327
Energy: 0.699583083200838
Energy: 0.764474743945486
Energy: 0.7421773543616965
Energy: 0.6990209742104649
Energy: 0.7176637025169211
Energy: 0.7409871562267288
Energy: 0.6992563826446503
Energy: 0.7189565455191582
Energy: 0.7411481424567288
Energy: 0.6997755998944316
Energy: 0.7155755549459217
Energy: 0.6997474604836538
Energy: 0.6994957790516566
Energy: 0.7603483089430474
Energy: 0.6986706319653501
Energy: 0.6996317103266346
Energy: 0.700825193600525
Energy: 0.7003342545557131
Energy: 0.6998365132149329
Energy: 0.7081978099429893
Energy: 0.7001014224926606
Energy: 0.8215115635107283
Energy: 0.7575682170367387
Energy: 0.7596642372731789
Energy: 0.8244345114376054
Energy: 0.7714818889334368
Energy: 0.6992045111338887
Energy: 0.7134191051802594
Energy: 0.76438432248147
Energy: 0.699000326136297
Energy: 0.7084703338911735
Energy: 0.771573865281523
Energy: 0.7077989118262109
Energy: 0.7090851885267608
Energy: 0.7873047377220792
Energy: 0.6990785296298266
Energy: 0.7091268443977541
Energy: 0.8223963895989819
Energy: 0.7083688814779936
Energy: 0.8222462782402762
Energy: 0.6994232402016223
Energy: 0.794778092185596
Energy: 0.8216619563705763
Energy: 0.7284678755044192
Energy: 0.7594332868471992
Energy: 0.8596500032356531
Energy: 0.7209891426434595
Energy: 0.7543566339065403
Energy: 0.8595637501633971
Energy: 0.6974513617932838
Energy: 0.8067258637047671
Energy: 0.7716816590328198
Energy: 0.6991831613949635
Energy: 0.7572797919246501
Energy: 0.7716195508657908
Energy: 0.7715771516187998
Energy: 0.7937656290232554
Energy: 0.810391790841491
Energy: 0.7000595840401924
Energy: 0.7883151485101697
Energy: 0.6951732198938553
Energy: 0.6992300627191579
Energy: 0.6999386582252567
Energy: 0.7600444372171247
Energy: 0.6993495100010276
Energy: 0.6991732823439908
Energy: 0.7603558904822401
Energy: 0.6994219207108592
Energy: 0.6993664664794734
Energy: 0.7652059030439389
Energy: 0.6991541943113774
Energy: 0.7002119977950398
Energy: 0.7089980090832347
Energy: 0.6991789323726489
Energy: 0.715717295456203
Energy: 0.7646793925098603
Energy: 0.7404082358821635
Energy: 0.6993764778141429
Energy: 0.7648079683636206
Energy: 0.7462028032409431
Energy: 0.699445734082842
Energy: 0.7642437579288126
Energy: 0.7084347759720311
Energy: 0.7080328853775576
Energy: 0.7646934938505101
Energy: 0.7121428913795339
Energy: 0.7078947191686211
Energy: 0.7685291031986202
Energy: 0.7083054710315504
Energy: 0.7085259533860137
Energy: 0.7682142565028833
Energy: 0.7568516552442901
Energy: 0.7926899142400211
Energy: 0.8276122286674898
Energy: 0.7128729050257199
Energy: 0.7767992567184042
Energy: 0.8277152896466329
Energy: 0.6992739055286057
Energy: 0.7079291465012991
Energy: 0.6979853236446072
Energy: 0.7786927469615575
Energy: 0.786244304078173
Energy: 0.7202138239302023
Energy: 0.7011743837260606
Energy: 0.6980521766689768

minimum gb energy = 0.6949513096034969 eV
minimum distance =  2.39386210520443 Angstroms
sigma value = 57


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

Energy: 0.9712808582543727
Energy: 0.7434824345370107
Energy: 0.7642243345560086
Energy: 0.9732656593113512
Energy: 0.7434373563839356
Energy: 0.7631524011933346
Energy: 0.8219272341193931
Energy: 0.7287659200458099
Energy: 0.7420647167379579
Energy: 0.7416518507502868
Energy: 0.7288529283550997
Energy: 0.7926738677376566
Energy: 0.9027346450479367
Energy: 0.6907765795347424
Energy: 0.6906544405328576
Energy: 0.8165251922105998
Energy: 0.7613487099656087
Energy: 0.6903671737092384
Energy: 0.7211580350318644
Energy: 0.6852638406305208
Energy: 0.6905239196793261
Energy: 0.72210064101048
Energy: 0.7870114148569513
Energy: 0.7237754855882423
Energy: 0.7388886408020962
Energy: 0.715548769416304
Energy: 0.7478334837374913
Energy: 0.7392596855552558
Energy: 0.7152988128432268
Energy: 0.7136293084731948
Energy: 0.6905121080191361
Energy: 0.7136256868811857
Energy: 0.7270546629205648
Energy: 0.71583931972835
Energy: 0.7389338937088985
Energy: 0.7487121263766316
Energy: 0.7415490797312737
Energy: 0.7206331621012929
Energy: 0.7209721008390092
Energy: 0.7420086696450102
Energy: 0.7203597328550772
Energy: 0.7236691372885415
Energy: 0.7354854662193286
Energy: 0.8032703809343231
Energy: 0.8095832036349738
Energy: 0.7352111983886406
Energy: 0.8038243990825653
Energy: 0.7339985500312064
Energy: 0.7289701463488171
Energy: 0.7421595104214115
Energy: 0.7414285050675969
Energy: 0.7287131231319973
Energy: 0.8261793500994079
Energy: 0.742030105100895
Energy: 0.7303262788106211
Energy: 0.7192379681413353
Energy: 0.719308823111381
Energy: 0.7304273581099703
Energy: 0.7193319659481779
Energy: 0.8042030859297196
Energy: 0.8198842735024041
Energy: 0.7851857401959517
Energy: 0.724975688813793
Energy: 0.820407469447928
Energy: 0.7417119909122228
Energy: 0.7234985722127371
Energy: 0.685009707712006
Energy: 0.8258173596339405
Energy: 0.7425129360031055
Energy: 0.6862483937209578
Energy: 0.8197428607632247
Energy: 0.7502654514002612
Energy: 0.6887682357566908
Energy: 0.7245179714693551
Energy: 0.7507613884667642
Energy: 0.6851590996252095
Energy: 0.7311220545856641
Energy: 0.7502512920988851
Energy: 0.8230591514444882
Energy: 0.7343026118220922
Energy: 0.7583297782692557
Energy: 0.8229230357292704
Energy: 0.7451889130733297
Energy: 0.7239040654383843
Energy: 0.723430714338799
Energy: 0.6862597409962213
Energy: 0.7039555496123786
Energy: 0.7228579905097423
Energy: 0.6878715518472196
Energy: 0.7010640456503929
Energy: 0.721236789269806
Energy: 0.725117250965154
Energy: 0.7254448372723552
Energy: 0.7222625705681968
Energy: 0.7451246614659544
Energy: 0.7206043635710311
Energy: 0.742162002885209
Energy: 0.7164311751044973
Energy: 0.7160760122975486
Energy: 0.7424137995404524
Energy: 0.7161991322045403
Energy: 0.7136906451620475
Energy: 0.7409660749855401
Energy: 0.7412011355274672
Energy: 0.717150770468272
Energy: 0.7410161085740538
Energy: 0.7399963800378414
Energy: 0.7472370806201574
Energy: 0.7423710194760254
Energy: 0.7238208622172709
Energy: 0.7241909347084489
Energy: 0.7424424588465948
Energy: 0.7238717848671679
Energy: 0.7343277130367861
Energy: 0.7422018560290276
Energy: 0.8099967586444129
Energy: 0.7236114578562202
Energy: 0.742390086558065
Energy: 0.8111606503423441
Energy: 0.7239233541408155
Energy: 0.7289165745045817
Energy: 0.7548906225017281
Energy: 0.7426057860922276
Energy: 0.7292735954063992
Energy: 0.745863319434155
Energy: 0.7238223637947538
Energy: 0.8101605429558378
Energy: 0.7195566573732926
Energy: 0.7252143708533368
Energy: 0.8103256585916234
Energy: 0.7190702347464063
Energy: 0.7246324241766998
Energy: 0.8231600405660568
Energy: 0.744795952754362
Energy: 0.7548287744975362
Energy: 0.8232657209295753
Energy: 0.74636755024046
Energy: 0.7417874409819045
Energy: 0.6852488585290356
Energy: 0.8104801057851098
Energy: 0.8323030063906417
Energy: 0.6851500250807654
Energy: 0.8216426131934846
Energy: 0.750320916705101

minimum gb energy = 0.685009707712006 eV
minimum distance =  2.3519779604968 Angstroms
sigma value = 17


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

Energy: 1.0936584013265591
Energy: 0.7750392866866462
Energy: 0.8422162839837019
Energy: 0.7085058195297103
Energy: 0.7748930785006429
Energy: 0.7885618797276973
Energy: 0.8184300467290622
Energy: 0.7439255337613324
Energy: 0.7436802098330406
Energy: 0.750673972079524
Energy: 0.7453226949965465
Energy: 0.7178876938103071
Energy: 0.904935165587308
Energy: 0.6860143215495665
Energy: 0.6955249981189393
Energy: 0.9060720720685577
Energy: 0.6864356289820541
Energy: 0.6785921769547991
Energy: 0.7433171306571978
Energy: 0.6934317940940602
Energy: 0.6785395942287887
Energy: 0.7433578510696301
Energy: 0.734963325657653
Energy: 0.7432924315442774
Energy: 0.7434110727490804
Energy: 0.6642788803089213
Energy: 0.7155789849730564
Energy: 0.7436878774491913
Energy: 0.6635547907225334
Energy: 0.715773809649587
Energy: 0.9637265703489293
Energy: 0.664074704961545
Energy: 0.7115739908391383
Energy: 0.7236040088679748
Energy: 0.6639548604169743
Energy: 0.7200234000104185
Energy: 0.6643327201437259
Energy: 0.6632060498953208
Energy: 0.6632789935189847
Energy: 0.6642130495896468
Energy: 0.6668716182138457
Energy: 0.6982050426819859
Energy: 0.8043217697504746
Energy: 0.6947138149025401
Energy: 0.7246102726704454
Energy: 0.6938940851890631
Energy: 0.6937424397454101
Energy: 0.7326427647384305
Energy: 0.6655121098476634
Energy: 0.7111147516646933
Energy: 0.7253753577522548
Energy: 0.6667948611057735
Energy: 0.6635960172830269
Energy: 0.663953108376891
Energy: 0.6636675114531636
Energy: 0.7112207389363379
Energy: 0.7109061917787383
Energy: 0.663768200835469
Energy: 0.7112417524081428
Energy: 0.70493835049414
Energy: 0.7795707436394481
Energy: 0.7435947523385886
Energy: 0.7089371707601074
Energy: 0.7651698446515357
Energy: 0.7437791815112477
Energy: 0.7094331647342387
Energy: 0.742318563672502
Energy: 0.7432732249834334
Energy: 0.7431387118648302
Energy: 0.7423342027180015
Energy: 0.7441332031945019
Energy: 0.7431280369774523
Energy: 0.742196144411687
Energy: 0.8064461699447774
Energy: 0.8152613302208371
Energy: 0.7041758732309332
Energy: 0.8103284428100327
Energy: 0.7513735972822089
Energy: 0.751819894098696
Energy: 0.7436848263917976
Energy: 0.7439711499744796
Energy: 0.7519838285220373
Energy: 0.7436493122452918
Energy: 0.7436011312095832
Energy: 0.8450162811262932
Energy: 0.7411879330700968
Energy: 0.7500698724472372
Energy: 0.8450958286703578
Energy: 0.7413911736375237
Energy: 0.8186157390527841
Energy: 0.8187813723821717
Energy: 0.7603858094166844
Energy: 0.7521294404400127
Energy: 0.8185952150203889
Energy: 0.7510762181317604
Energy: 0.7434369348920725
Energy: 0.7367836556777086
Energy: 0.8064554380010845
Energy: 0.8706585468957654
Energy: 0.8065958375462645
Energy: 0.8077202423641704
Energy: 0.8073600251150297

minimum gb energy = 0.6632060498953208 eV
minimum distance =  2.34139625112679 Angstroms
sigma value = 17


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

Energy: 1.1395123348651774
Energy: 0.7485384719544524
Energy: 0.6908035211275196
Energy: 0.7508910245795795
Energy: 0.7493462246593416
Energy: 0.6975085343750796
Energy: 0.8490092584685868
Energy: 0.7233204407929116
Energy: 0.724509660288372
Energy: 0.7224571411123156
Energy: 0.724814849510319
Energy: 0.6723863493072645
Energy: 0.8489760891518178
Energy: 0.6786008225483905
Energy: 0.6668394514535203
Energy: 0.8498579283802385
Energy: 0.6784435659708885
Energy: 0.6660009764700007
Energy: 0.726359081422541
Energy: 0.6942356759980138
Energy: 0.6638852767821395
Energy: 0.7265451295686456
Energy: 0.6141635089459622
Energy: 0.6640431760219488
Energy: 0.7219552251491222
Energy: 0.6391665505482813
Energy: 0.6723394485457352
Energy: 0.7220358997778138
Energy: 0.6408048207906716
Energy: 0.6710305525121566
Energy: 1.0159310505300359
Energy: 0.6383832422151898
Energy: 0.6430458936174862
Energy: 0.6781879723070916
Energy: 0.6383539559347161
Energy: 0.6695402275356421
Energy: 0.6023945419842446
Energy: 0.6383253144408705
Energy: 0.6384934268425166
Energy: 0.6123750955918541
Energy: 0.6408645978167011
Energy: 0.652265196846508
Energy: 0.7151209903514527
Energy: 0.6537093387866226
Energy: 0.6624729402106081
Energy: 0.6523163473415279
Energy: 0.6581327177037161
Energy: 0.6901059763115114
Energy: 0.6029115501967446
Energy: 0.6715286400435138
Energy: 0.6058363269301665
Energy: 0.6039862086713238
Energy: 0.6126092210986092
Energy: 0.6030924531329191
Energy: 0.6034104644359202
Energy: 0.6572529744584733
Energy: 0.6573713877570224
Energy: 0.6033448786853045
Energy: 0.6676987418666496
Energy: 0.6607016571038685
Energy: 0.7532866858220115
Energy: 0.6029196761669965
Energy: 0.6606667377873997
Energy: 0.6837111085151468
Energy: 0.6034038573626216
Energy: 0.6612422856896085
Energy: 0.6044669994485079
Energy: 0.603215751324928
Energy: 0.6029586506444362
Energy: 0.6042104896023973
Energy: 0.6063417267314574
Energy: 0.638216780463252
Energy: 0.6383840633615472
Energy: 0.6380214376152309
Energy: 0.6815787018670396
Energy: 0.6716094547818802
Energy: 0.6618881340970529
Energy: 0.6640300078392947
Energy: 0.6378029389751241
Energy: 0.6454056416339015
Energy: 0.6715429456730315
Energy: 0.638952422456414
Energy: 0.6123309910350532
Energy: 0.6382692977505204
Energy: 0.6381392012483178
Energy: 0.6392953802732161
Energy: 0.6395129091671152
Energy: 0.638211639091334
Energy: 0.6808648545261607
Energy: 0.6702362467359115
Energy: 0.8222796521947621
Energy: 0.7234317231561203
Energy: 0.6722140744664812
Energy: 0.7221461377505015
Energy: 0.7225515027706308
Energy: 0.6722087025772726
Energy: 0.6025499292535393
Energy: 0.7232865891410739
Energy: 0.7233160007274044
Energy: 0.6036248633067194
Energy: 0.7286643946569785
Energy: 0.63786199878677
Energy: 0.6504922719999595
Energy: 0.7740488040161454
Energy: 0.7718186475512516
Energy: 0.6507400973802788
Energy: 0.773156050149069
Energy: 0.6733596481505905
Energy: 0.8046680023977003
Energy: 0.7229696465145115
Energy: 0.6730494101656179
Energy: 0.8056071226430361
Energy: 0.6373900198767601
Energy: 0.7227533750918226
Energy: 0.8510860143575132
Energy: 0.6818737421344814
Energy: 0.6424670637196239
Energy: 0.8514029027622249
Energy: 0.7027015853504525
Energy: 0.7259791020503693
Energy: 0.8568266008162341
Energy: 0.7230238223076778
Energy: 0.7242048494605469
Energy: 0.8498792496455615
Energy: 0.7230429010642531
Energy: 0.7223292238254659
Energy: 0.6109793007856267
Energy: 0.7716751681643982
Energy: 0.8264506215500698
Energy: 0.7279032574704696
Energy: 0.852017738202931
Energy: 0.6645256999544621
Energy: 0.6132148681407996
Energy: 0.723499934862935
Energy: 0.7236163528115133
Energy: 0.6141872241481129
Energy: 0.7227433958622137
Energy: 0.7794234037832011
Energy: 0.8485067209532929
Energy: 0.695563202581694
Energy: 0.7260961068868789
Energy: 0.8496141746318575
Energy: 0.7035599349316316
Energy: 0.7222357272080311
Energy: 0.7226536862853759
Energy: 0.6798958812310344
Energy: 0.6683456121387468
Energy: 0.7229228168260156
Energy: 0.6784510641514699
Energy: 0.6644591025097745
Energy: 0.7242446675225043
Energy: 0.6403535064591781
Energy: 0.6726608693340334
Energy: 0.725112007790569
Energy: 0.6413126108807385
Energy: 0.722730182942717
Energy: 0.6640296761600456
Energy: 0.6509796627174929
Energy: 0.6538786011661673
Energy: 0.6797875558006898
Energy: 0.6377401541360795
Energy: 0.6441180775915625
Energy: 0.5979382305928037
Energy: 0.6380407914419443
Energy: 0.6382460480152188
Energy: 0.5944523600813065
Energy: 0.6396292149643635
Energy: 0.6382337670931455
Energy: 0.8417461750031416
Energy: 0.6698583729320426
Energy: 0.669396842881265
Energy: 0.7608594540085444
Energy: 0.638082427694499
Energy: 0.6688866272826959
Energy: 0.6029585745649835
Energy: 0.6531649113240654
Energy: 0.6626341811035285
Energy: 0.6030788551311506
Energy: 0.6622590630561739
Energy: 0.636863509688933
Energy: 0.6065975902035818
Energy: 0.6571527291876506
Energy: 0.6569733749156115
Energy: 0.6075561166732164
Energy: 0.6629531381243465
Energy: 0.6354781728955928
Energy: 0.8904632242128052
Energy: 0.6584480468880105
Energy: 0.6583554830493431
Energy: 0.6733610279363103
Energy: 0.6747923902792399
Energy: 0.6583647218160119
Energy: 0.652797273784373
Energy: 0.6072374163947905
Energy: 0.6031667909928775
Energy: 0.6528459331147218
Energy: 0.6034974591707969
Energy: 0.6031036909236064
Energy: 0.9691866922747406
Energy: 0.6623309984804023
Energy: 0.6654411945937624
Energy: 0.6772067662957252
Energy: 0.6026058568173168
Energy: 0.6659088121622467
Energy: 0.6445560524040294
Energy: 0.6412383252495779
Energy: 0.6653018839395104
Energy: 0.6453854010929589
Energy: 0.640284612311692
Energy: 0.6658578938241986
Energy: 0.6445441625462964
Energy: 0.6658564499560076
Energy: 0.6696341783839267
Energy: 0.6382436443096392
Energy: 0.6719407024192919
Energy: 0.638268819295134
Energy: 0.8241988890124471
Energy: 0.6699551966906144
Energy: 0.6725468631957666
Energy: 0.8253875540726326
Energy: 0.6465835602897722
Energy: 0.6714588037109017
Energy: 0.608415125158091
Energy: 0.7229317123786327
Energy: 0.7227814554978861
Energy: 0.6473990923007601
Energy: 0.7240173975267326
Energy: 0.7230355541790118
Energy: 0.7214999799232019
Energy: 0.7702913207955823
Energy: 0.6358306482454525
Energy: 0.702049206682123
Energy: 0.8489328683720629
Energy: 0.6417709358164322
Energy: 0.8056796863343947
Energy: 0.7234255970353791
Energy: 0.7229855117800832
Energy: 0.8051384323213162
Energy: 0.7700521174394788
Energy: 0.6840242729010639
Energy: 0.8096905575646275
Energy: 0.6768350532754779
Energy: 0.7088982981827071
Energy: 0.8051277685627632
Energy: 0.6986156667446568
Energy: 0.7689697770249073
Energy: 0.8487009149106696
Energy: 0.6852849732589918
Energy: 0.7223848215715596
Energy: 0.8497588004263606
Energy: 0.7218494047919246
Energy: 0.7233807970655708
Energy: 0.703775198649006
Energy: 0.7693479572248445
Energy: 0.7253135893746808
Energy: 0.7034285575738661
Energy: 0.7709679174942274
Energy: 0.7792330384309409

minimum gb energy = 0.5944523600813065 eV
minimum distance =  2.3272361811205 Angstroms
sigma value = 57


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

Energy: 1.0426428739541047
Energy: 0.7164906963521309
Energy: 0.6655158119517872
Energy: 0.6589018472934645
Energy: 0.9950525893279575
Energy: 0.6693310062265748
Energy: 0.7958632637217403
Energy: 0.6978810805765789
Energy: 0.7010542707506379
Energy: 0.7001557091398115
Energy: 0.6958796282724451
Energy: 0.6384048971054912
Energy: 0.8001588834892162
Energy: 0.6336604921120018
Energy: 0.6380764818587485
Energy: 0.8003562357307449
Energy: 0.6386400567278468
Energy: 0.6407433868728688
Energy: 0.6967104371706858
Energy: 0.6339575120944676
Energy: 0.642474038937226
Energy: 0.6974879300987378
Energy: 0.6124852366351896
Energy: 0.6425954936989253
Energy: 0.6095154765006674
Energy: 0.6396990364785874
Energy: 0.6432793872633026
Energy: 0.7101161733339789
Energy: 0.6176110582816525
Energy: 0.6569442187632909
Energy: 0.9515631996168479
Energy: 0.6159655144991328
Energy: 0.6158597022799971
Energy: 0.6356383221835317
Energy: 0.6155962033504208
Energy: 0.6344667817815698
Energy: 0.7631951437119543
Energy: 0.621937592889011
Energy: 0.6163101215919411
Energy: 0.6694440660348661
Energy: 0.618819815028512
Energy: 0.6222078988322143
Energy: 0.7541539427109348
Energy: 0.6120973525173613
Energy: 0.6362704740170895
Energy: 0.6469698323103288
Energy: 0.6123179933878984
Energy: 0.6371029908167064
Energy: 0.5749643353728581
Energy: 0.6048573534003452
Energy: 0.573057439943332
Energy: 0.5762491905390627
Energy: 0.5529453971226022
Energy: 0.5732142089536348
Energy: 0.5859465636505238
Energy: 0.6265038721776
Energy: 0.617968485371361
Energy: 0.5732987787654619
Energy: 0.6379296862683698
Energy: 0.6185834463355224
Energy: 0.5563404371548565
Energy: 0.5532614789454382
Energy: 0.610447477716667
Energy: 0.6486347375713732
Energy: 0.5530744243187938
Energy: 0.6123484225386232
Energy: 0.576256495292037
Energy: 0.5589717271128841
Energy: 0.5528619189925416
Energy: 0.5770927016390904
Energy: 0.557135381156712
Energy: 0.6018893080921375
Energy: 0.5736845096102187
Energy: 0.6399413858833976
Energy: 0.6227885727171497
Energy: 0.5906827676936114
Energy: 0.6217688811742531
Energy: 0.6233486785932795
Energy: 0.5530068579472068
Energy: 0.6130353876891754
Energy: 0.5526262510037668
Energy: 0.5543880515536981
Energy: 0.561609698471659
Energy: 0.5528212815437956
Energy: 0.5527442861279622
Energy: 0.622471103236957
Energy: 0.6042012692787949
Energy: 0.5528177607327092
Energy: 0.6215132487377439
Energy: 0.6045327474817543
Energy: 0.6671182470069565
Energy: 0.5733909446081911
Energy: 0.6148045209538309
Energy: 0.6428005701661366
Energy: 0.5811455715682061
Energy: 0.6138469662064443
Energy: 0.5538129899268718
Energy: 0.5809815005662708
Energy: 0.5730986792220496
Energy: 0.5549143515781343
Energy: 0.5782733163614362
Energy: 0.600415279020496
Energy: 0.6034590855967
Energy: 0.6432472660890673
Energy: 0.6226337978601826
Energy: 0.5827070494023244
Energy: 0.6129729455538058
Energy: 0.629336391405309
Energy: 0.6157442785474185
Energy: 0.619869511379276
Energy: 0.6160269603189154
Energy: 0.6168436907256901
Energy: 0.5845547459106866
Energy: 0.6158564202301413
Energy: 0.7754454423440436
Energy: 0.6478708814999388
Energy: 0.6395515988284262
Energy: 0.7759434205123068
Energy: 0.6437218766963182
Energy: 0.635428234244451
Energy: 0.7738533919683458
Energy: 0.7006409482591776
Energy: 0.6445651734793885
Energy: 0.6177979836860317
Energy: 0.698231487044774
Energy: 0.6461834427645405
Energy: 0.5528927800273248
Energy: 0.6940041111348775
Energy: 0.6158785709398042
Energy: 0.634918461835799
Energy: 0.7013742689438245
Energy: 0.6158873448910196
Energy: 0.6267256598506843
Energy: 0.7351485955032175
Energy: 0.6965161537482946
Energy: 0.6263829559467641
Energy: 0.7314488582967571
Energy: 0.7127215527791452
Energy: 0.7604246323844772
Energy: 0.6155409255719122
Energy: 0.6377726605972158
Energy: 0.7614646205324435
Energy: 0.7207875311358373
Energy: 0.6419338369308353
Energy: 0.7992016315655576
Energy: 0.6569327417124669
Energy: 0.6178207154764521
Energy: 0.7994477659273898
Energy: 0.6563034528405388
Energy: 0.6943913895571671
Energy: 0.8038355274452493
Energy: 0.6992096400923921
Energy: 0.7016249288899216
Energy: 0.7388347060868966
Energy: 0.7363949583484543
Energy: 0.6890973566549681
Energy: 0.5573053936611273
Energy: 0.7292399527660227
Energy: 0.6434141760601695
Energy: 0.6343193136002885
Energy: 0.7987065757060123
Energy: 0.6431821711885356

minimum gb energy = 0.5526262510037668 eV
minimum distance =  2.3259778895914 Angstroms
sigma value = 43


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

Energy: 0.9688346318935864
Energy: 0.633844979397157
Energy: 0.5968887564647166
Energy: 0.5545696316910383
Energy: 0.6336438653674323
Energy: 0.5870405590132342
Energy: 0.6832119084664996
Energy: 0.6081988739118116
Energy: 0.5475640157133148
Energy: 0.6077348448524279
Energy: 0.6102380586859576
Energy: 0.5458429629682972
Energy: 0.6870304115325447
Energy: 0.5335163545996652
Energy: 0.5521605698283114
Energy: 0.6882559006487654
Energy: 0.5906135335983255
Energy: 0.5419281004934129
Energy: 0.6098164463044425
Energy: 0.5519556819538477
Energy: 0.5409000675611877
Energy: 0.6098327541121165
Energy: 0.6315563465486489
Energy: 0.5698737892396725
Energy: 0.6060395639128039
Energy: 0.5474936440555989
Energy: 0.5631130028612613
Energy: 0.6060921105951144
Energy: 0.5448775487038587
Energy: 0.5673768050346518
Energy: 0.9015048236913176
Energy: 0.5471689014389978
Energy: 0.5374898754430587
Energy: 0.5279289296707452
Energy: 0.5471931004424496
Energy: 0.5412081650528728
Energy: 0.647713201194476
Energy: 0.5474599372289332
Energy: 0.5472779234315153
Energy: 0.5861460583915084
Energy: 0.5501269942965322
Energy: 0.6318184552916951
Energy: 0.6487925384420568
Energy: 0.5196011430261726
Energy: 0.5309518212380093
Energy: 0.6502558739608321
Energy: 0.5274668345089034
Energy: 0.5237064245113958
Energy: 0.5106653683136486
Energy: 0.5290195595212298
Energy: 0.5094897716153061
Energy: 0.5117788960170035
Energy: 0.525151550236459
Energy: 0.5094700411193852
Energy: 0.5091159859802111
Energy: 0.5286053401983556
Energy: 0.522592868839751
Energy: 0.5091869324310091
Energy: 0.5286473974399452
Energy: 0.5226425653104169
Energy: 0.549234237573941
Energy: 0.48483981299913964
Energy: 0.5036805180077739
Energy: 0.5169281602848907
Energy: 0.484695989411054
Energy: 0.5170587034809876
Energy: 0.630882195654779
Energy: 0.48448330829041514
Energy: 0.4845204033164297
Energy: 0.6316356715905891
Energy: 0.4847078682763434
Energy: 0.5197847653945004
Energy: 0.6287841134121269
Energy: 0.5291670556067885
Energy: 0.5292513186324342
Energy: 0.630073222483099
Energy: 0.5160061940774154
Energy: 0.5364631857203038
Energy: 0.4700678564950386
Energy: 0.5348661916702423
Energy: 0.4700844082428105
Energy: 0.4713098356158763
Energy: 0.48776109990532673
Energy: 0.4699762165638172
Energy: 0.4700366081733402
Energy: 0.5102164299652284
Energy: 0.5081697978008416
Energy: 0.470110866023128
Energy: 0.5118745455517352
Energy: 0.5078887532215776
Energy: 0.5489194060534223
Energy: 0.46335207073558227
Energy: 0.4630437056297108
Energy: 0.5148928583095652
Energy: 0.46335343574254373
Energy: 0.5160906453319368
Energy: 0.4748423986684818
Energy: 0.46357214784311396
Energy: 0.4635344808221832
Energy: 0.6261282100368105
Energy: 0.4634021670414402
Energy: 0.5101502267748184
Energy: 0.624625491965823
Energy: 0.5193852535500423
Energy: 0.5186506194472496
Energy: 0.6261085390756792
Energy: 0.5206236416013521
Energy: 0.5170588565463335
Energy: 0.463454670266281
Energy: 0.5610273946673728
Energy: 0.4632116143681382
Energy: 0.46465372345222516
Energy: 0.6282289936592004
Energy: 0.46328395782686244
Energy: 0.6246104377379917
Energy: 0.5256154135615423
Energy: 0.5270830275088474
Energy: 0.6261085956364812
Energy: 0.5257375270978435
Energy: 0.5265426958959174
Energy: 0.552131832803418
Energy: 0.46993811699780724
Energy: 0.4703253023093875
Energy: 0.578762210669065
Energy: 0.47031817942267046
Energy: 0.5101641000552064
Energy: 0.46664147175710613
Energy: 0.47035306955982437
Energy: 0.4700450059624754
Energy: 0.5162653575177931
Energy: 0.4702423042865409
Energy: 0.5117562661739948
Energy: 0.4848651087315248
Energy: 0.5050032397361744
Energy: 0.5048612812015029
Energy: 0.48493991144878196
Energy: 0.522351245083491
Energy: 0.5129182367720171
Energy: 0.48473270900419474
Energy: 0.532517180723625
Energy: 0.484840592397729
Energy: 0.48602603721335397
Energy: 0.5112658700838517
Energy: 0.4846936334199796
Energy: 0.6367267642454275
Energy: 0.5197982181094984
Energy: 0.5322515677959365
Energy: 0.6380580660209306
Energy: 0.5207688374359764
Energy: 0.554451682758157
Energy: 0.638890941936683
Energy: 0.5091721279139872
Energy: 0.509448821531263
Energy: 0.5991229481524885
Energy: 0.5092893181274125
Energy: 0.5349183069006265
Energy: 0.552614374304624
Energy: 0.5092543738611703
Energy: 0.5094227014755259
Energy: 0.5234497001895901
Energy: 0.5092347524696422
Energy: 0.5215489517390871
Energy: 0.5475949317060872
Energy: 0.5249533451112767
Energy: 0.5354807586321819
Energy: 0.5475980348301142
Energy: 0.5321799402448687
Energy: 0.5354242476443468
Energy: 0.5489987903159006
Energy: 0.5403793979381528
Energy: 0.5472098976941506
Energy: 0.5500123948190834
Energy: 0.5835805833488361
Energy: 0.5473575612935881
Energy: 0.6670178790868837
Energy: 0.5263911580371387
Energy: 0.5412574085305812
Energy: 0.6624827157272363
Energy: 0.5263930432979156
Energy: 0.538676193179923
Energy: 0.6637883773792227
Energy: 0.6079524380393292
Energy: 0.547884658335699
Energy: 0.5511352301655685
Energy: 0.6104768626009601
Energy: 0.5991190350630452
Energy: 0.9354061761483993
Energy: 0.6078369777453928
Energy: 0.5479134479499622
Energy: 0.5450105086378759
Energy: 0.6076688972991796
Energy: 0.5330663784367232
Energy: 0.6130186283304453
Energy: 0.6327962231880646
Energy: 0.607738243709985
Energy: 0.6126673218708294
Energy: 0.6301180518987128
Energy: 0.6147770513176303
Energy: 0.6583608337596276
Energy: 0.5701474779082746
Energy: 0.5581199164751358
Energy: 0.6587393466901418
Energy: 0.6389571917684442
Energy: 0.6085682565553823
Energy: 0.6847442994890661
Energy: 0.5461639738576701
Energy: 0.5652334458950595
Energy: 0.6860516677840942
Energy: 0.6513524903006014
Energy: 0.5664167716382809
Energy: 0.6820742347692003
Energy: 0.6082284481222185
Energy: 0.598717508325644
Energy: 0.6081537319773866
Energy: 0.635863743070557
Energy: 0.5963709590755197

minimum gb energy = 0.4630437056297108 eV
minimum distance =  2.3217073486098 Angstroms
sigma value = 81


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

Energy: 0.050423613201120876
Energy: 0.08050307316185533
Energy: 0.05088371288183558
Energy: 0.05229122361613427
Energy: 0.0806097867640467
Energy: 0.05103372664391111
Energy: 0.08157697801092338
Energy: 0.05109068465815435
Energy: 0.051175072519400455
Energy: 0.08089131432030236
Energy: 0.052044001028769646
Energy: 0.051132280707432476
Energy: 0.080414135528507
Energy: 0.05092639171526824
Energy: 0.05091038758311044
Energy: 0.08070679699277743
Energy: 0.050893270077236326
Energy: 0.08107561647257215
Energy: 0.052431128277030746
Energy: 0.050814840274906466
Energy: 0.05088984139594779
Energy: 0.0515593230049913
Energy: 0.050881599049480794
Energy: 0.08162969665065342
Energy: 0.08112176096684225
Energy: 0.08032347584807016
Energy: 0.0807951234520508
Energy: 0.08210157062647552
Energy: 0.0807358015376239
Energy: 0.08038177913260545
Energy: 0.0513977952456755
Energy: 0.05120468551885828
Energy: 0.05098394481070166
Energy: 0.052610993962289944
Energy: 0.05154292504759835
Energy: 0.051060094340215544
Energy: 0.08051031881203315
Energy: 0.051248315220853644
Energy: 0.05138663523273616
Energy: 0.08044381909699196
Energy: 0.052333601302186686
Energy: 0.051168401856154844
Energy: 0.08048991456052706
Energy: 0.05075957000053977
Energy: 0.05093901310511021
Energy: 0.08088447111241796
Energy: 0.050676723079455546
Energy: 0.08142268027703756
Energy: 0.05203626712017881
Energy: 0.050970256194384264
Energy: 0.0828931147305119
Energy: 0.0530804072293778
Energy: 0.050875184477510424
Energy: 0.08299426780666119
Energy: 0.0508243224877642
Energy: 0.08053703762399063
Energy: 0.0805102246029126
Energy: 0.05084589657308346
Energy: 0.08053664639997107
Energy: 0.08060195302050645

minimum gb energy = 0.050423613201120876 eV
minimum distance =  2.53501637654642 Angstroms
sigma value = 3


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

Energy: 1.0177874367780637
Energy: 0.6190134492385333
Energy: 0.627455109762348
Energy: 0.5956050666714858
Energy: 0.6194930298557694
Energy: 0.6016841290697743
Energy: 0.610232659923342
Energy: 0.6036107524164189
Energy: 0.6027006032020127
Energy: 0.610376146910829
Energy: 0.612280623222399
Energy: 0.626638853813277
Energy: 0.6217859538351023
Energy: 0.5918841570528229
Energy: 0.5917632021148725
Energy: 0.6222322313019863
Energy: 0.5934771691532913
Energy: 0.6195091020870451
Energy: 0.5616730788792709
Energy: 0.5933069889437615
Energy: 0.5933171914297583
Energy: 0.5610288919632037
Energy: 0.5605379883369676
Energy: 0.619063041413569
Energy: 0.5130111462888195
Energy: 0.6039148772716193
Energy: 0.626609058203677
Energy: 0.5132297678097077
Energy: 0.6060728713797284
Energy: 0.6267119176648448
Energy: 0.585916290111349
Energy: 0.6188015364524984
Energy: 0.5989291038837375
Energy: 0.5696541050873575
Energy: 0.6110001019659553
Energy: 0.5688669689922021
Energy: 0.5625487611573877
Energy: 0.57189986388404
Energy: 0.5735974889005194
Energy: 0.5619306996939674
Energy: 0.5723267271404852
Energy: 0.5862857551055958
Energy: 0.5591942483592456
Energy: 0.573431172435475
Energy: 0.5733788221411301
Energy: 0.5590858939819142
Energy: 0.5522082004938547
Energy: 0.540248497721808
Energy: 0.5983428318832935
Energy: 0.5732427300476555
Energy: 0.6043371258717435
Energy: 0.5996456632796935
Energy: 0.5941253102296075
Energy: 0.6047558669950196
Energy: 0.5977121083816663
Energy: 0.5183140703565909
Energy: 0.5182726870729608
Energy: 0.5976330901557496
Energy: 0.5211206236960568
Energy: 0.5450696012625805
Energy: 0.5731374188505961
Energy: 0.5774443368662545
Energy: 0.5774199443999928
Energy: 0.5556366554936173
Energy: 0.5787210390515217
Energy: 0.5554668363545495
Energy: 0.4854740018177089
Energy: 0.5792937592575105
Energy: 0.5798563356567468
Energy: 0.485296937645714
Energy: 0.5787932139075151
Energy: 0.4858377283911875
Energy: 0.4862376242948457
Energy: 0.5446851528579074
Energy: 0.5585570969751295
Energy: 0.48629577956555864
Energy: 0.5447254524643814
Energy: 0.4860723642650063
Energy: 0.5682891922178086
Energy: 0.5782887973749998
Energy: 0.5586976260812638
Energy: 0.5610473289667104
Energy: 0.5192628215749744
Energy: 0.5600588275799544
Energy: 0.5644377795255047
Energy: 0.46302694415468565
Energy: 0.46282993479053885
Energy: 0.5643333436009562
Energy: 0.4667089127464714
Energy: 0.46266971241607124
Energy: 0.5653369071152289
Energy: 0.5468783163472128
Energy: 0.5492132705377206
Energy: 0.547584738578475
Energy: 0.55998910642017
Energy: 0.5487051312300006
Energy: 0.4523191017339707
Energy: 0.5491875048859607
Energy: 0.5477241999369151
Energy: 0.4523165179553767
Energy: 0.5470815095433599
Energy: 0.45249968463015017
Energy: 0.45301612114656414
Energy: 0.5432130580077219
Energy: 0.5433771921424103
Energy: 0.4530628840548375
Energy: 0.5429497590702541
Energy: 0.4544373455812978
Energy: 0.5750127050149854
Energy: 0.5587164233916044
Energy: 0.5433940964747842
Energy: 0.5427130308358132
Energy: 0.5084272217953579
Energy: 0.5435250910501613
Energy: 0.5593251863640848
Energy: 0.45220115037919445
Energy: 0.45219785904622184
Energy: 0.5603810599393041
Energy: 0.4549191162841383
Energy: 0.45212442163475364
Energy: 0.5590686402621424
Energy: 0.5468288610687598
Energy: 0.5501850977236142
Energy: 0.5605804191540558
Energy: 0.5650598018328988
Energy: 0.5485022832398139
Energy: 0.46623315876272403
Energy: 0.5469157135460369
Energy: 0.5492082271023552
Energy: 0.4636583911554751
Energy: 0.5644695650353537
Energy: 0.4629845659391584
Energy: 0.4628105518364402
Energy: 0.5612463698116718
Energy: 0.561241080122589
Energy: 0.46272989733249537
Energy: 0.5582046399989933
Energy: 0.5597160918587986
Energy: 0.8530684555325098
Energy: 0.4865644814335441
Energy: 0.4864004829045861
Energy: 0.5496536263328975
Energy: 0.4867150995439465
Energy: 0.5495002838102055
Energy: 0.5812654869727926
Energy: 0.48485922108050006
Energy: 0.48485069890348803
Energy: 0.5810705166396212
Energy: 0.48494995627331555
Energy: 0.48510672610809547
Energy: 0.5799691927063397
Energy: 0.5638225488029331
Energy: 0.5640145700871196
Energy: 0.5799705604682985
Energy: 0.5468435364884475
Energy: 0.5774760713484112
Energy: 0.5214835826686446
Energy: 0.5636202091069945
Energy: 0.56410078882282
Energy: 0.5212854886371808
Energy: 0.5845351113963116
Energy: 0.518955089316852
Energy: 0.4973964644681052
Energy: 0.6013519030333888
Energy: 0.6023831283433051
Energy: 0.49754026667793316
Energy: 0.6019303454701695
Energy: 0.602293537197303
Energy: 0.5781123004326887
Energy: 0.5597304146886687
Energy: 0.5616097926054113
Energy: 0.5608499042582347
Energy: 0.5597467037696436
Energy: 0.5601938793597095
Energy: 0.5284162818829714
Energy: 0.5616887137544856
Energy: 0.5826267454681909
Energy: 0.5232059100801081
Energy: 0.5624592647420381
Energy: 0.5803695280491888
Energy: 0.5736905067951221
Energy: 0.5818930011149424
Energy: 0.5818013254932716
Energy: 0.5737268499096382
Energy: 0.556797311712336
Energy: 0.581846758157012
Energy: 0.622618319648819
Energy: 0.5817823375127846
Energy: 0.6189300804531076
Energy: 0.6230282507106326
Energy: 0.6026515509411279
Energy: 0.629506098126421
Energy: 0.5264936069450882
Energy: 0.5584284263436142
Energy: 0.5574619398813401
Energy: 0.5264878603627625
Energy: 0.5620920426800056
Energy: 0.5793769074759608

minimum gb energy = 0.45212442163475364 eV
minimum distance =  2.34524607926117 Angstroms
sigma value = 67


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

Energy: 1.0103814038418388
Energy: 0.7373882186902905
Energy: 0.7519821185987834
Energy: 0.7043809307033089
Energy: 0.9209920957197528
Energy: 0.7540121797140943
Energy: 0.7424445191494318
Energy: 0.7251260175952619
Energy: 0.7164424908320365
Energy: 0.7423438298109915
Energy: 0.7441715694883002
Energy: 0.7177726035906014
Energy: 0.7403345220010922
Energy: 0.7061268804302357
Energy: 0.7363303167754639
Energy: 0.7410689117126056
Energy: 0.705713969066117
Energy: 0.7359262826593934
Energy: 0.6615476243213939
Energy: 0.7369711728627222
Energy: 0.7366465222513949
Energy: 0.6629960503946191
Energy: 0.6653400224276199
Energy: 0.7364167984172676
Energy: 0.6575351429901097
Energy: 0.7244608914201762
Energy: 0.7439562066683901
Energy: 0.6575951520724387
Energy: 0.7431900500435282
Energy: 0.7350548219353953
Energy: 0.6975672821759461
Energy: 0.7301987233458849
Energy: 0.706992668365759
Energy: 0.7068509931601747
Energy: 0.7239497191710585
Energy: 0.7070116782575855
Energy: 0.660823157958742
Energy: 0.6787419279978261
Energy: 0.7373685517686965
Energy: 0.6586609541329754
Energy: 0.6697012718698815
Energy: 0.6770805630192043
Energy: 0.6551167813757329
Energy: 0.6786832966090898
Energy: 0.6841388032958275
Energy: 0.6551461820028831
Energy: 0.6785696803515349
Energy: 0.6767120386642872
Energy: 0.7002556467174453
Energy: 0.7094341640588786
Energy: 0.7143731266016108
Energy: 0.7009943691195207
Energy: 0.6666464674790189
Energy: 0.7110119064448102
Energy: 0.7049078044835978
Energy: 0.608058864407247
Energy: 0.6043031150362669
Energy: 0.7013671037199627
Energy: 0.6059667620103143
Energy: 0.6032717391733297
Energy: 0.7010238271559872
Energy: 0.685175746987434
Energy: 0.6844202529438171
Energy: 0.6799761378389771
Energy: 0.6887059183143018
Energy: 0.6854109263315412
Energy: 0.5817097911465733
Energy: 0.6803673845049683
Energy: 0.6797134292209268
Energy: 0.5823288876011643
Energy: 0.6819536161574566
Energy: 0.5758971314967305
Energy: 0.5754592449784867
Energy: 0.6744180332002893
Energy: 0.6730085440584219
Energy: 0.5753567742355227
Energy: 0.6695782793716255
Energy: 0.5751632278676673
Energy: 0.6851514124086807
Energy: 0.6749597198783104
Energy: 0.6722765706832656
Energy: 0.6693514327355814
Energy: 0.6883852406261111
Energy: 0.672132226833374
Energy: 0.6876483134650945
Energy: 0.5792267940185718
Energy: 0.5765361518951293
Energy: 0.6879437809033422
Energy: 0.5770104920613724
Energy: 0.5745933168325135
Energy: 0.6868307874886541
Energy: 0.6850774416936245
Energy: 0.6815500111328086
Energy: 0.6829879536604616
Energy: 0.7005939487272589
Energy: 0.6812808877749574
Energy: 0.6090022984750529
Energy: 0.6739911280507128
Energy: 0.6728625062210595
Energy: 0.6038225379762517
Energy: 0.6681243734275755
Energy: 0.6030988947672633
Energy: 0.6046144430326079
Energy: 0.7198180480434909
Energy: 0.7105035077343113
Energy: 0.604602933341866
Energy: 0.7012599610976733
Energy: 0.6736909146898487
Energy: 0.6868564987426543
Energy: 0.7085875764672099
Energy: 0.6878993369044473
Energy: 0.6879575266551995
Energy: 0.6999059461725226
Energy: 0.6879481359143276
Energy: 0.6668893412057249
Energy: 0.662370779321835
Energy: 0.68137942471901
Energy: 0.6666444452266999
Energy: 0.6606740127383287
Energy: 0.6768764736218889
Energy: 0.6703940420051855
Energy: 0.7257235106165209
Energy: 0.7256579326622999
Energy: 0.6811221914062691
Energy: 0.7097420062958414
Energy: 0.7254918804834988
Energy: 0.740391683781933
Energy: 0.6858960551751234
Energy: 0.7256173284934943
Energy: 0.7415245185126124
Energy: 0.6857035614267613
Energy: 0.7257495054009003
Energy: 0.6892051475542986
Energy: 0.663031791613399
Energy: 0.7201230394852111
Energy: 0.68940537843108
Energy: 0.6608825389206574
Energy: 0.7203754030913931

minimum gb energy = 0.5745933168325135 eV
minimum distance =  2.30844398439853 Angstroms
sigma value = 33


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

Energy: 1.1266292777429554
Energy: 0.8633449929286215
Energy: 0.8882875101350528
Energy: 0.8141046509033362
Energy: 1.0176103767710132
Energy: 0.8165105331634324
Energy: 0.8018412762131409
Energy: 0.7762607479916321
Energy: 0.7747762539295311
Energy: 0.8015914861138111
Energy: 0.8181588704110785
Energy: 0.7755758361660542
Energy: 0.8134012632228068
Energy: 0.7280476967349918
Energy: 0.7280306580137831
Energy: 0.8026182673324752
Energy: 0.7935066741830441
Energy: 0.7277312836820523
Energy: 0.7114613780597469
Energy: 0.7275772667810634
Energy: 0.7274485661205637
Energy: 0.7119180917740682
Energy: 0.7070418578805
Energy: 0.7276691132927412
Energy: 0.77409243373892
Energy: 0.7777217688498488
Energy: 0.7744871486766848
Energy: 0.7740770433913576
Energy: 0.817443592033324
Energy: 0.7945771855646715
Energy: 0.7241396289523003
Energy: 0.7968543221199799
Energy: 0.796616526821549
Energy: 0.7689047728605847
Energy: 0.7872655477583147
Energy: 0.7688136044305048
Energy: 0.7095540159384806
Energy: 0.7979336091119318
Energy: 0.7969811877090991
Energy: 0.7089761442695354
Energy: 0.7960182769477699
Energy: 0.709047098489894
Energy: 0.7115959333645892
Energy: 0.7706996821743661
Energy: 0.7705751700750871
Energy: 0.7114659075728629
Energy: 0.6593775806187013
Energy: 0.7299308802947907
Energy: 0.7709277427508523
Energy: 0.7712043227134211
Energy: 0.7739522179795539
Energy: 0.7738804595544847
Energy: 0.7230563980981308
Energy: 0.7718751747764884
Energy: 0.7717368329953926
Energy: 0.6651181193400703
Energy: 0.6595248200324456
Energy: 0.7728402301234085
Energy: 0.6612558948441524
Energy: 0.6593817393881097
Energy: 0.771661724402072
Energy: 0.7542598940555348
Energy: 0.7552778797732596
Energy: 0.7187867774530807
Energy: 0.7721981537267986
Energy: 0.7550148493561886
Energy: 0.6594165685781844
Energy: 0.7530655565876302
Energy: 0.752811261758569
Energy: 0.6595472977680761
Energy: 0.7501792900385165
Energy: 0.6593237109371087
Energy: 0.6599352443642379
Energy: 0.7719350633743521
Energy: 0.7729367843288611
Energy: 0.6598962373797099
Energy: 0.7674186897301704
Energy: 0.6592875681177258
Energy: 0.7715469772643784
Energy: 0.7706671275505276
Energy: 0.7703899902582677
Energy: 0.7500696723441168
Energy: 0.7709297981357957
Energy: 0.7503757108039795
Energy: 0.7720735661905951
Energy: 0.7091540559832625
Energy: 0.7309978802729185
Energy: 0.771956800105388
Energy: 0.711071397143422
Energy: 0.7302239307341937
Energy: 0.7226010079340259
Energy: 0.7862520184033333
Energy: 0.7859417806313288
Energy: 0.7299870793000303
Energy: 0.6677729787401853
Energy: 0.7951705551671475
Energy: 0.8126925216781198
Energy: 0.7860780913964669
Energy: 0.7861902901204795
Energy: 0.8130038283682732
Energy: 0.6685749497264698
Energy: 0.7862888530650852
Energy: 0.8025641494779207
Energy: 0.773939362760516
Energy: 0.7744539055662603
Energy: 0.8051542439645634
Energy: 0.7772908021581677
Energy: 0.7879527696525243
Energy: 1.1278008862094078
Energy: 0.7764523645648717
Energy: 0.7987148637360837
Energy: 0.7374642946502837
Energy: 0.7763902834577852
Energy: 0.7849641511199658
Energy: 0.7457307567399466
Energy: 0.7778426985730083
Energy: 0.7746957704268091
Energy: 0.7457782764403298
Energy: 0.8175792441954249
Energy: 0.7752733169591702
Energy: 0.8022002952190855
Energy: 0.727672025987291
Energy: 0.7933935391012196
Energy: 0.802164186169742
Energy: 0.7788741492620002
Energy: 0.8009560175443794
Energy: 0.7129637641878077
Energy: 0.7312618456466176
Energy: 0.793421489463323
Energy: 0.7130423268010714
Energy: 0.7933845908917458
Energy: 0.7961961215422417
Energy: 0.7744385592920471
Energy: 0.7777279530878297
Energy: 0.7765916719776044
Energy: 0.7742286265184416
Energy: 0.8178143798317814
Energy: 0.7947072937035989
Energy: 1.048076696675261
Energy: 0.7864486777109945
Energy: 0.7964997791169308
Energy: 0.7689152110255425
Energy: 0.7870854345472339
Energy: 0.768825328516674
Energy: 0.709288335109087
Energy: 0.7979690683458341
Energy: 0.797662295237284
Energy: 0.708925301732848
Energy: 0.7969185945748873
Energy: 0.7967926788775497
Energy: 0.7095927108205974
Energy: 0.7704514702855402
Energy: 0.7705847007193004
Energy: 0.7096078956931949
Energy: 0.7707285264936357
Energy: 0.7300915496921383
Energy: 0.7710545898925668
Energy: 0.770808972734906
Energy: 0.7706823886129138
Energy: 0.7793469236247291
Energy: 0.7372798269929594
Energy: 0.7724223297427533
Energy: 0.7709514109312837
Energy: 0.6596458787705647
Energy: 0.6593882185694883
Energy: 0.7720246885573664
Energy: 0.6613363185823814
Energy: 0.6593132359942587
Energy: 0.7701946910136216
Energy: 0.717961701385814
Energy: 0.7528203999723702
Energy: 0.7179552618774744
Energy: 0.7176907901245411
Energy: 0.7529151765404906
Energy: 0.6594606897426767
Energy: 0.7529595720399377
Energy: 0.7527486632999095
Energy: 0.659413097506203
Energy: 0.7504289209926521
Energy: 0.6599276041011886
Energy: 0.6608195888911235
Energy: 0.7709689472415692
Energy: 0.7184305998385455
Energy: 0.6603381740756814
Energy: 0.7665315239462236
Energy: 0.6591267232691501
Energy: 0.7713650272343227
Energy: 0.770571849858069
Energy: 0.7703827421778594
Energy: 0.7500340959456238
Energy: 0.7710487642442783
Energy: 0.7540256991783427
Energy: 0.7717598631445436
Energy: 0.7090440668974428
Energy: 0.731034536363014
Energy: 0.7717329573143674
Energy: 0.7121891613895525
Energy: 0.7304859321511037
Energy: 0.7873761235259282
Energy: 0.7372462635320922
Energy: 0.7951811553701018
Energy: 0.7861102805604087
Energy: 0.6678491363086377
Energy: 0.7952425618511845
Energy: 0.8142480972279882
Energy: 0.7862080839398748
Energy: 0.786254469339638
Energy: 0.814124151412581
Energy: 0.7485159917216411
Energy: 0.7863385484407274
Energy: 0.8020738227907532
Energy: 0.7740076378131052
Energy: 0.7741930886945382
Energy: 0.8018772622492937
Energy: 0.7741435553817259
Energy: 0.7744607991502971
Energy: 0.7988187997057814
Energy: 0.7767669492790521
Energy: 0.7985561808359036
Energy: 0.784936172019608
Energy: 0.7769969523553334
Energy: 0.7850009076934231

minimum gb energy = 0.6591267232691501 eV
minimum distance =  2.34634276612449 Angstroms
sigma value = 41


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

Energy: 1.0550765062952834
Energy: 0.8623025307899638
Energy: 0.9825156485145776
Energy: 1.0566292455716277
Energy: 0.9585938563889679
Energy: 0.9838044533025547
Energy: 0.860269968407881
Energy: 0.7817174590232261
Energy: 0.7820668567727106
Energy: 0.8613788053822815
Energy: 0.8756576046706268
Energy: 0.7832008276351508
Energy: 0.8758351158372178
Energy: 0.8560520356504921
Energy: 0.8131011162378193
Energy: 0.8753590606201449
Energy: 0.7805717789434524
Energy: 0.7925256215656991
Energy: 0.7817992271147113
Energy: 0.8798299584490478
Energy: 0.8055969675352987
Energy: 0.7817072242638395
Energy: 0.7914629121486624
Energy: 0.7943453316321556
Energy: 0.7801584312297182
Energy: 0.793930747634045
Energy: 0.782108406423406
Energy: 0.7800424039191141
Energy: 0.87694804078396
Energy: 0.8063473954630844
Energy: 0.9871326671696797
Energy: 0.8152076448779465
Energy: 0.8156564716381272
Energy: 0.9883214883481433
Energy: 0.8274612277634972
Energy: 0.8172779975562307
Energy: 0.779329011949733
Energy: 0.8842971228391746
Energy: 0.8060514077613486
Energy: 0.7795110565822032
Energy: 0.8836164815563929
Energy: 0.7964466830307034
Energy: 0.7823198221339283
Energy: 0.8071532193771088
Energy: 0.8067774293125736
Energy: 0.7812950331996292
Energy: 0.7976325459044522
Energy: 0.7799086014449771
Energy: 0.8730561287070681
Energy: 0.842225162601431
Energy: 0.8617934196292802
Energy: 0.8680791606651854
Energy: 0.826187045593271
Energy: 0.8610749554710656
Energy: 0.8245871544214947
Energy: 0.7853069698111134
Energy: 0.7837780114056391
Energy: 0.8244994687588023
Energy: 0.781380214219126
Energy: 0.8071475207345276
Energy: 0.8135614527935289
Energy: 0.8598428313930624
Energy: 0.7961429440050709
Energy: 0.7817106781736194
Energy: 0.7449464563814462
Energy: 0.8071219999608954
Energy: 0.91276556967773
Energy: 0.7453382954046803
Energy: 0.857751161300356
Energy: 0.9131210099508498
Energy: 0.7448000514072887
Energy: 0.8384285402080038
Energy: 0.8743309012292834
Energy: 0.7803142355057036
Energy: 0.7948039250559543
Energy: 0.8752131612592877
Energy: 0.7806484894584843
Energy: 0.8049624747551163
Energy: 0.9315683120493906
Energy: 0.7946644018583001
Energy: 0.7506083444917923
Energy: 0.7496606958019496
Energy: 0.7926134409530423
Energy: 0.7447450071564379

minimum gb energy = 0.7447450071564379 eV
minimum distance =  2.34380481421078 Angstroms
sigma value = 11


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

Energy: 1.3250113410727695
Energy: 1.1505619596563268
Energy: 0.9992891724164941
Energy: 0.9211858392961735
Energy: 1.0090696735144529
Energy: 0.9294573217675106
Energy: 0.9554646547410609
Energy: 0.8636134761623105
Energy: 0.8642151251904795
Energy: 0.9557221419478553
Energy: 0.8606052350458434
Energy: 0.9098204344565294
Energy: 0.9576768437745857
Energy: 0.8794628092013114
Energy: 0.878396312991419
Energy: 0.9577787253316159
Energy: 0.8791236127839973
Energy: 0.8847190125248908
Energy: 0.9120298556245677
Energy: 0.8830263118123963
Energy: 0.881126685734136
Energy: 0.9143246986875203
Energy: 0.8874289581188861
Energy: 0.8821724817365124
Energy: 0.9047676946960667
Energy: 0.863988280454296
Energy: 0.8875611390888433
Energy: 0.9048706957660729
Energy: 0.8614403026092118
Energy: 0.8937122541293918
Energy: 0.9846232477068069
Energy: 0.9067871183864882
Energy: 0.8919296000281896
Energy: 0.8901651485471431
Energy: 0.9237292779581429
Energy: 0.8984941932923565
Energy: 0.8606878333073894
Energy: 0.8872111326344022
Energy: 0.8853092505394473
Energy: 0.8607882058443003
Energy: 0.9152151183802492
Energy: 0.8912705884119064
Energy: 0.8610024369794962
Energy: 0.9316186460866812
Energy: 0.8922986617575254
Energy: 0.8605996003820806
Energy: 0.9053069196442236
Energy: 0.8933384993627148
Energy: 0.8626765255601774
Energy: 0.8808617802758788
Energy: 0.8848848213466568
Energy: 0.8902507808568193
Energy: 0.9044965743856167
Energy: 0.898425703151979
Energy: 0.862469019958335
Energy: 0.882536133246515
Energy: 0.8845608543815091
Energy: 0.8628548289445276
Energy: 0.9572555018441772
Energy: 0.8984428740959389
Energy: 0.8605045795890117
Energy: 0.9212054360924407
Energy: 0.8916309630459953
Energy: 0.8606128227164659
Energy: 0.8889262019264865
Energy: 0.8650037040093169
Energy: 0.9378819588800344
Energy: 0.9155764445177945
Energy: 0.8833375954409736
Energy: 0.9388511631148633
Energy: 0.9150962472002049
Energy: 0.9351421870504725
Energy: 0.8579551084070255
Energy: 0.9402793230610769
Energy: 0.9421990155024627
Energy: 0.8579615810522898
Energy: 0.9546628482894972
Energy: 0.9248269912040863
Energy: 0.8883707184848565
Energy: 0.8796036642318572
Energy: 0.880441993719625
Energy: 0.8812171699381808
Energy: 0.9588443966833453
Energy: 0.8834681906039571
Energy: 0.8482700890397048
Energy: 0.9006479530451634
Energy: 0.900894586961165
Energy: 0.8485410099970345
Energy: 0.9178739656588544
Energy: 0.8847492529667749
Energy: 0.8460536133706753
Energy: 0.8820966750425074
Energy: 0.8842186520064618
Energy: 0.8472838731877715
Energy: 0.9063972198563585
Energy: 0.8757254026868824
Energy: 0.8456644491891823
Energy: 0.8892589350337006
Energy: 0.889083880851737
Energy: 0.8457812705825318
Energy: 0.8928531169954936
Energy: 0.8913229320719006
Energy: 1.0667244566839218
Energy: 0.8757108545636969
Energy: 0.8754510886819795
Energy: 0.9925485074450865
Energy: 0.9003472333476787
Energy: 0.8997053200240017
Energy: 0.875394946911162
Energy: 0.8999805910724769
Energy: 0.9047340728396471
Energy: 0.875467959383598
Energy: 0.8972736988222315
Energy: 0.8903204825052359
Energy: 0.895225248728266
Energy: 0.884223718441772
Energy: 0.8855289382594681
Energy: 0.8956585078869974
Energy: 0.8661219194242632
Energy: 0.8676572433539372
Energy: 0.8974449546815391
Energy: 0.8835457297772129
Energy: 0.8672923952247665
Energy: 0.8984980490117871
Energy: 0.8483734561458455
Energy: 0.8775269341620268
Energy: 0.8600148815549052
Energy: 0.903970365034577
Energy: 0.8767667484018263
Energy: 0.8600392043186454
Energy: 0.8993749863471405
Energy: 0.8727047641972193
Energy: 0.9111512154947288
Energy: 0.8771761877256488
Energy: 0.8892039891184539
Energy: 0.8679835349346627
Energy: 0.9309754315956593
Energy: 0.8897711206674707
Energy: 0.8969618793171943
Energy: 0.8758988191720688
Energy: 0.9247779757838207
Energy: 0.8970327264614366
Energy: 0.8753601975472718
Energy: 0.9077902598525458
Energy: 0.8974169116763481
Energy: 0.8884245913980061
Energy: 0.8909350845860006
Energy: 0.8974358310037734
Energy: 0.9616818120042753
Energy: 0.8737013878645702
Energy: 0.911892716198197
Energy: 0.8985328335736371
Energy: 0.8918858187000901
Energy: 0.891773840998583
Energy: 0.8457481259051982
Energy: 0.8907646495346243
Energy: 0.9197379051391793
Energy: 0.8455476594520008
Energy: 0.888182798332905
Energy: 0.9125754109353021
Energy: 0.8479085630892873
Energy: 0.8843651915103385
Energy: 0.9321506413817976
Energy: 0.907059882657983
Energy: 0.8888645374138948
Energy: 0.9073064932243319
Energy: 0.8560942987248193
Energy: 0.889288499689401
Energy: 0.9588436890228861
Energy: 0.883609774463254
Energy: 0.8811163065361974
Energy: 0.9589154713855611
Energy: 0.8834179688135311
Energy: 0.8716838365964501
Energy: 0.9562248264429273
Energy: 0.8584532169375896
Energy: 0.894613853019887
Energy: 0.9567144570906686
Energy: 0.8583058319008571
Energy: 0.9251361414839069
Energy: 0.9190236792499462
Energy: 0.8661136982191623
Energy: 0.872266485292823
Energy: 0.8878009885697311
Energy: 0.8717145350555497
Energy: 0.872457101884105

minimum gb energy = 0.8455476594520008 eV
minimum distance =  2.32506574366849 Angstroms
sigma value = 57


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

Energy: 1.2162479651932327
Energy: 1.3494602092182884
Energy: 1.041798181358134
Energy: 1.217320930347432
Energy: 1.0645676643135482
Energy: 1.0440570554133088
Energy: 0.8775589026522232
Energy: 0.8628261192004614
Energy: 0.8632473743933835
Energy: 0.8777258604314304
Energy: 0.8777235662514346
Energy: 0.886942254178053
Energy: 0.8781059793460282
Energy: 0.8688988906115174
Energy: 0.8849527562970445
Energy: 0.8790295707565438
Energy: 0.8532479520829701
Energy: 0.8636827604847181
Energy: 0.848278307905968
Energy: 0.8908728792306
Energy: 0.8647690203589401
Energy: 0.8495729033953274
Energy: 0.8805072129122645
Energy: 0.8624091466128839
Energy: 0.8598547949988122
Energy: 0.8864470617046742
Energy: 0.886144347270978
Energy: 0.859600571609109
Energy: 0.8785078439653007
Energy: 0.8856750198512063
Energy: 0.8867048480510075
Energy: 0.9005959986975299
Energy: 0.887238870173294
Energy: 0.8889567207226654
Energy: 0.8579321119555378
Energy: 0.8859498210296941
Energy: 0.8578913697596011
Energy: 0.8814972952359231
Energy: 0.8929198065825935
Energy: 0.8588996937358623
Energy: 0.866129101795964
Energy: 0.9006994468171408
Energy: 0.8787302015294968
Energy: 0.8792028965625954
Energy: 0.8884909365548487
Energy: 0.8789853526295968
Energy: 0.8581930568601758
Energy: 0.8865463734248185
Energy: 0.8283573576167081
Energy: 0.8623714121091174
Energy: 0.8787392853872747
Energy: 0.8213662790265656
Energy: 0.863485084270003
Energy: 0.8785114651081545
Energy: 0.8280967195294394
Energy: 0.8624425243426448
Energy: 0.8786984199229663
Energy: 0.8214506766789693
Energy: 0.8785725887415686
Energy: 0.8784611655881901
Energy: 0.8789359783523525
Energy: 0.8889076673423637
Energy: 0.8884179271406737
Energy: 0.8791333324587226
Energy: 0.8778690085783033
Energy: 0.8639406463641232
Energy: 1.04556079210975
Energy: 0.8696852185800347
Energy: 0.9000351095424313
Energy: 1.046282235755382
Energy: 1.0406694436168071
Energy: 1.0583416359702884
Energy: 0.8573378866372572
Energy: 0.9017242686140645
Energy: 0.90320235033116
Energy: 0.8585561526358778
Energy: 0.8772166219456836
Energy: 0.8942610815473918
Energy: 0.88628739864889
Energy: 0.8850971245479775
Energy: 0.885480259632638
Energy: 0.890208292246733
Energy: 0.8772147579553059
Energy: 0.8853790748930322
Energy: 0.8591151731268128
Energy: 0.8784311808952867
Energy: 0.8862481290252546
Energy: 0.8587052865998848
Energy: 0.8833766515771075
Energy: 0.8859677645054924
Energy: 0.8786853473886553
Energy: 0.8918230394547758
Energy: 0.8903737839767522
Energy: 0.8792898267248438
Energy: 0.8645420148890489
Energy: 0.8856444708494925
Energy: 0.8217731188177194
Energy: 0.8627060298745058
Energy: 0.8629585894821564
Energy: 0.8220853359718817
Energy: 0.8598751732191197
Energy: 0.8894779684038853

minimum gb energy = 0.8213662790265656 eV
minimum distance =  2.35131288302319 Angstroms
sigma value = 9


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

Energy: 1.423136345717406
Energy: 1.0756471531909562
Energy: 0.9641865984638516
Energy: 0.8641579981856726
Energy: 1.0554703147949172
Energy: 0.9024815037929864
Energy: 0.9309346037254423
Energy: 0.9141034063011505
Energy: 0.8808051651158475
Energy: 0.9305206382681177
Energy: 0.9105487435540695
Energy: 0.882476533457389
Energy: 0.96625003690401
Energy: 0.8937303462359778
Energy: 0.8764125295256985
Energy: 0.9534930760528664
Energy: 0.9410248715805579
Energy: 0.8783390199859603
Energy: 0.9040352410020406
Energy: 0.8643756068807686
Energy: 0.8634160918468835
Energy: 0.9047193858058276
Energy: 0.8658861117064416
Energy: 0.8751740956530591
Energy: 0.9441558108624527
Energy: 0.8909208695474224
Energy: 0.8929182551650426
Energy: 0.9451568137959494
Energy: 0.9000029977274489
Energy: 0.8932869679135782
Energy: 0.8991501728021841
Energy: 0.8573424663471396
Energy: 0.8556634937622689
Energy: 0.8986500004579286
Energy: 0.8858092134660315
Energy: 0.8554091257567732
Energy: 0.8948335608345026
Energy: 0.8565992915876468
Energy: 0.854103963751642
Energy: 0.8952183035220846
Energy: 0.9117945491669011
Energy: 0.8861758314870042
Energy: 0.8829105690011315
Energy: 0.8536074211696218
Energy: 0.8583151911607774
Energy: 0.8834844706869803
Energy: 0.874909671573449
Energy: 0.873230339614529
Energy: 0.9116838344001773
Energy: 0.8838354146544912
Energy: 0.8887238820741798
Energy: 0.8620916914322891
Energy: 0.8820932225011509
Energy: 0.874108181070974
Energy: 0.9097952907270938
Energy: 0.8891310379894248
Energy: 0.8883563108628764
Energy: 0.9038725049285687
Energy: 0.8990191211940805
Energy: 0.8839187777829192
Energy: 0.8813784055718025
Energy: 0.8552657689357311
Energy: 0.8609381438116412
Energy: 0.8822498673954557
Energy: 0.9148526535018442
Energy: 0.8703356884763914
Energy: 0.9080932465951248
Energy: 0.8860376088539331
Energy: 0.8831319504608853
Energy: 0.9066605502558759
Energy: 0.9428750807234723
Energy: 0.8807955768909015
Energy: 0.9485061417231381
Energy: 0.8780026657216812
Energy: 0.8772896470721662
Energy: 0.9153132239491732
Energy: 0.9095277285071147
Energy: 0.8532313270201841
Energy: 0.9445468291315967
Energy: 0.9021293885529921
Energy: 0.8753577206385663
Energy: 0.9601305684856904
Energy: 0.9282625995437984
Energy: 0.8760958311543072
Energy: 0.9045074942188565
Energy: 0.8538492199475168
Energy: 0.8720593102855315
Energy: 0.9055843915145215
Energy: 0.8537880246117742
Energy: 0.9185823131916513
Energy: 0.9289074491930551
Energy: 0.8552471123303964
Energy: 0.8821158089050516
Energy: 0.929566920941953
Energy: 0.8584593104668824
Energy: 0.8851254151999363
Energy: 0.914105465366091
Energy: 0.9001612857153766
Energy: 0.8675798901094938
Energy: 0.9189866913033903
Energy: 0.9007324467624613
Energy: 0.8677695800615419
Energy: 1.0275796615686708
Energy: 0.8845937878722246
Energy: 0.8851805368139292
Energy: 0.9425173196153663
Energy: 0.9124572066245272
Energy: 0.8848477572098136
Energy: 0.9156907995749065
Energy: 0.8656825291388813
Energy: 0.8845393844849176
Energy: 0.9164069778832689
Energy: 0.8548509371168513
Energy: 0.8832094167224758
Energy: 0.9265276290862686
Energy: 0.8653059613580204
Energy: 0.864504946936316
Energy: 0.9270212540377433
Energy: 0.8681337837414699
Energy: 0.8656524906950339
Energy: 0.8738016114897651
Energy: 0.9120955660906731
Energy: 0.8960209663823127
Energy: 0.8745924715361489
Energy: 0.9102008528347129
Energy: 0.8833715012945552

minimum gb energy = 0.8532313270201841 eV
minimum distance =  2.31533621614301 Angstroms
sigma value = 27


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

Energy: 1.311141027530526
Energy: 1.3277028963893873
Energy: 0.8958294824008658
Energy: 1.0050733259074214
Energy: 1.3393510015224903
Energy: 0.8956300953254877
Energy: 0.9847343862072057
Energy: 0.9030469746700933
Energy: 0.8986896321699149
Energy: 0.985657523216724
Energy: 0.9227084102283822
Energy: 0.8931782189182781
Energy: 0.9283904940945045
Energy: 0.8962941074781738
Energy: 0.8743725489749941
Energy: 0.9285746626289563
Energy: 0.9221607094047186
Energy: 0.9186532331943317
Energy: 0.8917550050573252
Energy: 0.8718947314954295
Energy: 0.8718375975674814
Energy: 0.8923252294262238
Energy: 0.886883985086393
Energy: 0.8746947261078172
Energy: 0.9237938744608017
Energy: 0.8857499093510454
Energy: 0.8848111061631204
Energy: 0.9243445245310447
Energy: 0.8958870570096675
Energy: 0.8748874923797754
Energy: 0.912895680515324
Energy: 0.8941448697914622
Energy: 0.8775368235012226
Energy: 0.9140178969517836
Energy: 0.914715810229007
Energy: 0.8772866189367076
Energy: 0.9572200989793317
Energy: 0.8764782701235599
Energy: 0.876155888359289
Energy: 0.9576868300733655
Energy: 0.933074604005005
Energy: 0.9068156066173181
Energy: 0.9130582952140779
Energy: 0.8744620996045864
Energy: 0.8719441638976373
Energy: 0.913807166720444
Energy: 0.8732319740482677
Energy: 0.8711725397729314
Energy: 0.9230232100826046
Energy: 0.9260792177400896
Energy: 0.9192731473325593
Energy: 0.9479591591384083
Energy: 0.935266671663329
Energy: 0.9221044759608619
Energy: 0.9160729959248535
Energy: 0.9141592033438523
Energy: 0.9122468961978697
Energy: 0.8956716658797398
Energy: 0.9025810845018767
Energy: 0.9120711163313979
Energy: 0.9009226674627289
Energy: 0.8736060876976166
Energy: 0.871606381710065
Energy: 0.901023248444414
Energy: 0.8936416147715567
Energy: 0.8712597816172168
Energy: 0.933345290791136
Energy: 0.8936978091235076
Energy: 0.8883002617266665
Energy: 0.934132293990306
Energy: 0.9228771156192098
Energy: 0.8959175961071622
Energy: 1.1004700972226877
Energy: 0.8996649811918335
Energy: 0.9014022788469273
Energy: 0.9354015270823396
Energy: 0.9085296043010015
Energy: 0.9033522601308045
Energy: 0.9997716267134897
Energy: 0.8961099010425152
Energy: 0.8893276424136357
Energy: 0.9801658448491304
Energy: 0.9182285452322562
Energy: 0.8891974091161696
Energy: 0.931256408438096
Energy: 0.9033268142820065
Energy: 0.9094212730661323
Energy: 0.9318552369001192
Energy: 0.8985884807199803
Energy: 0.9356950002381429
Energy: 0.9076880523399895
Energy: 0.8776615552505614
Energy: 0.9104995576506396
Energy: 0.9080746534154045
Energy: 0.9025715186181108
Energy: 0.9107505657901835
Energy: 0.9090674648032285
Energy: 0.9038802858227377
Energy: 0.8862062361374938
Energy: 0.9097820584012261
Energy: 0.9189208183523269
Energy: 0.8867498252285696
Energy: 0.9215035013514554
Energy: 0.8874222912222252
Energy: 0.8869419124798475
Energy: 0.922450381283569
Energy: 0.91423462393982
Energy: 0.8786324773719733
Energy: 0.9098417965674408
Energy: 0.872892571360686
Energy: 0.889061068684274
Energy: 0.9107406159738342
Energy: 0.8727381028491071
Energy: 0.8896684308900334
Energy: 0.9206647960292844
Energy: 0.8736523476417006
Energy: 0.8720922901596678
Energy: 0.9210199881993881
Energy: 0.9088234976897208
Energy: 0.8894824665254838
Energy: 0.9366658425489124
Energy: 0.9012664401555434
Energy: 0.875610793603563
Energy: 0.9371072970754298
Energy: 0.9161221037594791
Energy: 0.8756880698294229
Energy: 0.9189804108313324
Energy: 1.0499556801426002
Energy: 0.9105903126733478
Energy: 0.9197094391262904
Energy: 1.0487357055307651
Energy: 0.9173631836488293
Energy: 0.9073346606939959
Energy: 0.8775488355135898
Energy: 0.874991785765674
Energy: 0.9083161163299953
Energy: 0.907116786206045
Energy: 0.8742513889156921
Energy: 0.9025032098737985
Energy: 0.8751935584048656
Energy: 0.8734788208769431
Energy: 0.9037097339312707
Energy: 0.9247871008669897
Energy: 0.8717584445642006
Energy: 0.9046379663103896
Energy: 0.9427286536697209
Energy: 0.9179830260587518
Energy: 0.897676778735042
Energy: 0.9603644941424493
Energy: 0.904265699657443

minimum gb energy = 0.8711725397729314 eV
minimum distance =  2.30026876957036 Angstroms
sigma value = 19


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

Energy: 0.979665583344267
Energy: 0.9695821630775291
Energy: 0.8709923504558369
Energy: 0.9351110268201269
Energy: 0.9685628898817275
Energy: 0.8707408922485909
Energy: 0.9479523689485879
Energy: 0.9055259649232853
Energy: 0.880929119245563
Energy: 0.9484327380656331
Energy: 0.9042071807480118
Energy: 0.8800788153679199
Energy: 0.9113077163432236
Energy: 0.8823539205471077
Energy: 0.8895329786212681
Energy: 0.9113734530556044
Energy: 1.0029586509050756
Energy: 0.9567720170232835
Energy: 0.906959784621453
Energy: 0.8815833867877728
Energy: 0.8790276684261605
Energy: 0.9076732522092377
Energy: 0.8790036712889094
Energy: 0.8785238981133939
Energy: 0.9079672912887969
Energy: 0.9569667360255782
Energy: 0.9551909546910741
Energy: 0.9092967247077856
Energy: 0.9131954933702855
Energy: 0.956856504873153
Energy: 0.9064338604968335
Energy: 0.8891252822869724
Energy: 0.8805218329860854
Energy: 0.900100731956838
Energy: 0.9478633350669652
Energy: 0.8801855574721994
Energy: 0.9244528886135333
Energy: 0.8798386069846983
Energy: 0.8782282851732646
Energy: 0.8952327621265188
Energy: 0.899781346223265
Energy: 0.886824700740717
Energy: 0.9119302663026599
Energy: 0.8710333338117224
Energy: 0.8802928704189918
Energy: 0.910437679162647
Energy: 0.892330339380568
Energy: 0.8805105906917275
Energy: 0.8998030477420289
Energy: 0.8857994207898265
Energy: 0.8892651248498311
Energy: 0.8994102017722178
Energy: 0.9116169591640854
Energy: 0.8889231328708813
Energy: 0.9080390226344754
Energy: 0.8759463186676343
Energy: 0.8733989343772328
Energy: 0.9286940058007217
Energy: 0.8928866500647423
Energy: 0.8730148324111994
Energy: 0.9140897533816579
Energy: 1.0158993679746164
Energy: 1.019540833245889
Energy: 0.9143641622031504
Energy: 1.0693001156122557
Energy: 1.016025473121816
Energy: 0.895702675700741
Energy: 0.8751655080128152
Energy: 0.872825261202001
Energy: 0.8962527750809118
Energy: 0.8809303486492919
Energy: 0.8719189369367816
Energy: 1.0575499558816435
Energy: 0.8849299527642058
Energy: 0.8850092580115103
Energy: 0.9999797569358799
Energy: 0.8745710768602655
Energy: 0.8718721069036872
Energy: 0.884282779443574
Energy: 0.8991870782826966
Energy: 0.8981413940511518
Energy: 0.8841569633996129
Energy: 0.9039969111995981
Energy: 0.8930463908389915
Energy: 0.9224994337598131
Energy: 0.8813300199206361
Energy: 0.8800845832500084
Energy: 0.8989589881224507
Energy: 0.885812716128326
Energy: 0.8782251497834115
Energy: 0.8865828307946005
Energy: 0.8649237264764009
Energy: 0.8664729363041168
Energy: 0.8876173907738075
Energy: 0.8997739899705166
Energy: 0.8658102347263387
Energy: 1.1079975330346017
Energy: 0.8849920484423516
Energy: 0.8789770506564984
Energy: 1.0672394301769133
Energy: 0.8999386074426745
Energy: 0.8809470743788408
Energy: 0.8688693198634388
Energy: 0.8807438778286256
Energy: 0.877819756610289
Energy: 0.8790160356191487
Energy: 0.8852312578522419
Energy: 0.8677880977145879
Energy: 0.8775713461306207
Energy: 0.8781851708481141
Energy: 0.8800896082607362
Energy: 0.8776153285805967
Energy: 0.9103824251509264
Energy: 0.875486163797043
Energy: 0.8960045674941182
Energy: 0.881024765880471
Energy: 0.8827368175900151
Energy: 0.8968151369652536
Energy: 0.8808268744734058
Energy: 0.8754348984239051
Energy: 0.8860578001675911
Energy: 0.8697759278970811
Energy: 0.8689296421879997
Energy: 0.8870622220534369
Energy: 0.8854782148289377
Energy: 0.8698561110651845
Energy: 0.8868579678989985
Energy: 0.8746791776874385
Energy: 0.8727210568672136
Energy: 0.8876737945931736
Energy: 0.8949915632389381
Energy: 0.8731570565773104
Energy: 0.8997796764082987
Energy: 0.8776335322168421
Energy: 0.8777881646320673
Energy: 0.9001698066392025
Energy: 0.935921061786568
Energy: 0.8836189041459758
Energy: 0.9018899994798416
Energy: 0.8649841612305725
Energy: 0.9004202995702555
Energy: 0.9020950221702222
Energy: 0.9023516807831294
Energy: 0.8998624414381242
Energy: 0.8753635742515056
Energy: 0.8884428503794484
Energy: 0.8762908753012734
Energy: 0.8804163568227201
Energy: 0.8949461750331307
Energy: 0.8730887822915565
Energy: 1.0188961089852961
Energy: 0.8890321090581615
Energy: 0.881084055153583
Energy: 0.9879713256889094
Energy: 0.9143817137989294
Energy: 0.8789189913191267
Energy: 0.8901385021558261
Energy: 0.8744584562775639
Energy: 0.8740900772844319
Energy: 0.8901280615993934
Energy: 0.9134424280940676
Energy: 0.8793689079898817
Energy: 0.9118675570315534
Energy: 0.8840290641805133
Energy: 0.8834639653460507
Energy: 0.911772749075692
Energy: 0.89907181248052
Energy: 0.8807884806950085
Energy: 0.9953432748507168
Energy: 0.9301833159023566
Energy: 0.9308511877325584
Energy: 0.8665978804311555
Energy: 0.9310600222835725
Energy: 0.881810068309833

minimum gb energy = 0.8649237264764009 eV
minimum distance =  2.2966878340417 Angstroms
sigma value = 101


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

Energy: 1.2185571492974239
Energy: 0.9830376835924518
Energy: 0.8803960960949199
Energy: 1.092714719678443
Energy: 0.9997797504398308
Energy: 1.0968237821505984
Energy: 0.930591077894433
Energy: 0.8716741723883377
Energy: 0.8543190132705748
Energy: 0.9316616157624806
Energy: 0.8496906699153265
Energy: 0.8540316818884663
Energy: 0.898789745552765
Energy: 0.8863470240169347
Energy: 0.877284641171556
Energy: 0.8990401917939518
Energy: 1.0012881586863938
Energy: 0.8776282094713733
Energy: 0.8911136236353746
Energy: 0.8563950687224442
Energy: 0.8539461747138857
Energy: 0.8777187953919937
Energy: 0.8539167511093602
Energy: 0.8535147105197042
Energy: 0.8590754991660197
Energy: 0.9957326651355292
Energy: 0.9904125381597735
Energy: 0.8607931601478167
Energy: 0.9012000002659918
Energy: 0.8784690205898218
Energy: 0.8469606326943747
Energy: 0.8618534094529785
Energy: 0.8552360670717726
Energy: 0.848018272961437
Energy: 0.9321412109993883
Energy: 0.8550338629876156
Energy: 0.8648844052822726
Energy: 0.8527906933506347
Energy: 0.8527224045028743
Energy: 0.8651156145770539
Energy: 0.8547143510505687
Energy: 0.8528618368455382
Energy: 0.8819332702801727
Energy: 0.8547281109485028
Energy: 0.8542840341456822
Energy: 0.8716570934006294
Energy: 0.8611178883502907
Energy: 0.8547384979976406
Energy: 0.8513560457463625
Energy: 0.8776558484678707
Energy: 0.8654900808977889
Energy: 0.8523188018282163
Energy: 0.8990660682121279
Energy: 0.8645251643293144
Energy: 0.8585212868737135
Energy: 0.8579382881970155
Energy: 0.8554047943273692
Energy: 0.868769283454426
Energy: 0.8734357122136497
Energy: 0.8551438092377064
Energy: 0.9021973523733188
Energy: 0.8529276138643028
Energy: 1.102016740596266
Energy: 0.902214237275155
Energy: 0.8621474257594659
Energy: 1.0986407934557996
Energy: 0.871159434266576
Energy: 0.8555304417325523
Energy: 0.8570682268829438
Energy: 0.8712544852201334
Energy: 0.8508365585991292
Energy: 0.8568764217234254
Energy: 1.0393740682436627
Energy: 0.8696141702765691
Energy: 0.8661047596353584
Energy: 1.0002199369069091
Energy: 0.8737240761492545
Energy: 0.8546535054096784
Energy: 0.8723988769016627
Energy: 0.8683866061621719
Energy: 0.8668342936524975
Energy: 0.8802226699657996
Energy: 0.8887348300894486
Energy: 0.8555031359593391
Energy: 0.8987083786292664
Energy: 0.8711540667924645
Energy: 0.8734748068037509
Energy: 0.8996671471037759
Energy: 0.8525392574609407
Energy: 0.8733215619836232
Energy: 0.9320553953113483
Energy: 0.8550260355055591
Energy: 0.8542253165481883
Energy: 0.9335607557198418
Energy: 0.8515175274997699
Energy: 0.8538588097074425
Energy: 1.222059616692668
Energy: 0.8647688273455759
Energy: 0.853786235625407
Energy: 0.8520920523062607
Energy: 0.8865259692318628
Energy: 0.8626557920052831
Energy: 0.861113651728649
Energy: 0.8716114503910379
Energy: 0.8721796038351488
Energy: 0.8622637208510463
Energy: 0.8712316686480016
Energy: 0.8525764090550954
Energy: 0.8987269804016185
Energy: 0.8538411418217343
Energy: 0.8543113471913573
Energy: 0.8988176766645377
Energy: 0.8505678160076695
Energy: 0.8543521446986478
Energy: 0.8908632276150951
Energy: 0.8536413773242585
Energy: 0.8533912294391309
Energy: 0.8920220245021306
Energy: 0.8541499441400483
Energy: 0.853446643776085
Energy: 0.8611017937290811
Energy: 0.8539083805467421
Energy: 0.8540766919305053
Energy: 0.8603066105167798
Energy: 0.8919042578349384
Energy: 0.8817723472687602
Energy: 0.8484470930878164
Energy: 0.8627905015391192
Energy: 0.8545688193739277
Energy: 0.848461571314804
Energy: 0.9313884818578193
Energy: 0.8542429319218259
Energy: 0.871545417704308
Energy: 0.8564958441657743
Energy: 0.857231650478792
Energy: 0.8719328330702234
Energy: 0.8535348001188356
Energy: 0.8579564043038514
Energy: 0.8891298747183272
Energy: 0.8580096284848627
Energy: 0.8568443120756306
Energy: 0.8894047484468774
Energy: 0.8819591570647077
Energy: 0.8610664268685332
Energy: 0.8572084552598275
Energy: 0.8539523630591928
Energy: 0.8594836850012143
Energy: 0.8569295123006739
Energy: 0.8988354141665702
Energy: 0.8617070176736705
Energy: 0.8514261531318699
Energy: 0.8562829318976711
Energy: 0.8563531936886424
Energy: 0.851526394695514
Energy: 0.8711065725424216
Energy: 0.8559323952419537
Energy: 0.8711692186698377
Energy: 0.8619956160355313
Energy: 0.8611527015691873
Energy: 0.8713645551416598
Energy: 0.8526671309653457
Energy: 0.8609696379785848
Energy: 0.8713467341476951
Energy: 0.8523282596019276
Energy: 0.8528985454654167
Energy: 0.8715874626308431
Energy: 0.8568182421274422
Energy: 0.8682710202724953
Energy: 0.855850511642784
Energy: 0.8461854766997169
Energy: 0.8658191880360375
Energy: 0.849070826989014
Energy: 0.8477311769541
Energy: 0.8583162714681506
Energy: 0.8563544552482739
Energy: 0.858583571734049
Energy: 0.8585538858910527
Energy: 0.9985015866336903
Energy: 0.8716592147612496
Energy: 0.8587971598437949
Energy: 0.8726595406474134
Energy: 0.8557801027482334
Energy: 0.8554676087864029
Energy: 0.8723017214934267
Energy: 0.8699727348048524
Energy: 0.8555323745095434
Energy: 0.9010474893309525
Energy: 0.8628734491226642
Energy: 0.85877711349786
Energy: 0.8997072009037923
Energy: 0.8514869289123685
Energy: 0.8571382459713207
Energy: 0.8516916302650398
Energy: 0.8610457438932636
Energy: 0.8585101365518332
Energy: 0.8590885416799803
Energy: 0.8511774563511006
Energy: 0.8585030472157452

minimum gb energy = 0.8461854766997169 eV
minimum distance =  2.32384161135353 Angstroms
sigma value = 33


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

Energy: 0.015405947659848635
Energy: 0.6700359307778337
Energy: 0.015960618792789618
Energy: 0.017058533019060493
Energy: 0.6718492028768129
Energy: 0.01585772917744491
Energy: 0.3835434237524205
Energy: 0.1057693981438734
Energy: 0.10420689296538974
Energy: 0.10614799686717412
Energy: 0.10623843949790893
Energy: 0.1040532449725534
Energy: 0.9502410615270417
Energy: 0.6732999718404765
Energy: 0.6718120299349047
Energy: 0.6730326113187968
Energy: 0.6721102630381852
Energy: 0.6710493821601637
Energy: 0.016200581739864616
Energy: 0.1057693981438734
Energy: 0.10420689296538974
Energy: 0.10614799686675641
Energy: 0.10623843949746663
Energy: 0.10405324497299569

minimum gb energy = 0.015405947659848635 eV
minimum distance =  2.52518981759248 Angstroms
sigma value = 1