Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3786201217280778e-19, 1.88867785969188e-19, 2.26834565665086e-19, 2.5764442233690597e-19, 2.8311582646423797e-19, 3.04593004243008e-19, 3.23420181869142e-19, 3.4014370157483396e-19, 3.5470748717789397e-19, 3.6741114570888e-19, 3.78488594956356e-19, 3.8811927870333e-19, 3.9656915827104595e-19, 4.0392475119774e-19, 4.10214896662824e-19, 4.15522907851266e-19, 4.1992729141813193e-19, 4.2348732789888e-19, 4.2626390000560197e-19, 4.28303470860684e-19, 4.30077080394522e-19, 4.3152865242492594e-19, 4.3237780604094596e-19, 4.3265498259862797e-19, 4.3235697774470396e-19, 4.3139406958767e-19, 4.2964609487997593e-19, 4.2697206207783e-19, 4.2320053828139398e-19, 4.182097580664839e-19, 4.1170331875581e-19, 4.03362387199206e-19, 3.9281846277085196e-19, 3.7962614036649596e-19, 3.6322626034087197e-19, 3.4365887710983e-19, 3.1957495794754196e-19, 2.89771268201874e-19, 2.5285711855451395e-19, 2.0760844605708598e-19, 1.51364035320516e-19, 8.08424683807086e-20, -7.389911550194279e-21, -1.1966785453476718e-19, -2.6353883017339196e-19, -4.50958248465444e-19, -6.954584136970139e-19, -1.0265081606972638e-18, -1.483942407117336e-18, -2.1369030855974998e-18, -3.1047619684305595e-18, -4.617104558562179e-18, -7.16535047317284e-18, -1.1949097423437359e-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: 0.008252221033036534
Energy: 0.0894004104485508
Energy: 0.7265778418422032
Energy: 0.08940041044903395
Energy: 0.08940041045001405
Energy: 0.8027285334278249
Energy: 0.08940041044903395
Energy: 0.8027285334268448
Energy: 0.7265778418402566
Energy: 0.08940041045049721
Energy: 0.008252221032553379
Energy: 0.0894004104485508
Energy: 0.08940041044903395
Energy: 0.8027285334249121
Energy: 0.08940041044903395
Energy: 0.8027285334239319

minimum gb energy = 0.008252221032553379 eV
minimum distance =  2.77156889133074 Angstroms
sigma value = 1


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

Energy: 1.2918644491019078
Energy: 0.763461913680354
Energy: 0.7643344483093032
Energy: 0.7634619136809566
Energy: 0.7596233266052368
Energy: 0.794427139547296
Energy: 0.76246835386021
Energy: 0.7944271395466933
Energy: 0.7613824750839273
Energy: 0.7606848601907018
Energy: 0.7628851833002498
Energy: 0.7606848601912771
Energy: 0.758159950505287
Energy: 0.7687351498211566
Energy: 0.7596253751685277
Energy: 0.768735149822362
Energy: 0.7973207339934696
Energy: 0.7621496575602271
Energy: 0.7598735142193602
Energy: 0.7621496575620352
Energy: 0.7577502919481668
Energy: 0.8567784250501004
Energy: 0.7627314231297815
Energy: 0.8567784250494976
Energy: 0.7577952141721918
Energy: 0.8540099338230585
Energy: 0.7985115819792035
Energy: 0.8540099338230585
Energy: 0.8007352023945962
Energy: 0.8814091052498636
Energy: 0.7631526803433362
Energy: 0.8814091052492609
Energy: 0.7623459150485247
Energy: 0.8790374306589863
Energy: 0.7592227931850377
Energy: 0.8790374306583836
Energy: 0.8009694822775083
Energy: 0.812473602267898
Energy: 0.8019631952231481
Energy: 0.8124736022685007
Energy: 0.7949047780706554
Energy: 0.8788380386142537
Energy: 0.7601605512270976
Energy: 0.8788380386148563
Energy: 0.8015440625097078
Energy: 0.8778063782162749
Energy: 0.7629755604827668
Energy: 0.8778063782174804
Energy: 0.7575858041561873
Energy: 0.8463304010697643
Energy: 0.7992643693609629
Energy: 0.8463304010691617
Energy: 0.757704417819489
Energy: 0.8529250691713104
Energy: 0.7978904129005308
Energy: 0.852925069171913
Energy: 0.7991401863067561
Energy: 0.7620543268319738
Energy: 0.7595825121818072
Energy: 0.7620543268331793
Energy: 0.7194905179716045
Energy: 0.7702274137486901
Energy: 0.7595933858548211
Energy: 0.7702274137480873
Energy: 0.7607933592352701
Energy: 0.7599781673326643
Energy: 0.7191137201631469
Energy: 0.7599781673338698
Energy: 0.759274069547625
Energy: 0.7621666472530245
Energy: 0.7983869885341348
Energy: 0.7621666472530245
Energy: 0.7626077782528375
Energy: 0.7628478730964742
Energy: 0.7631121436442259
Energy: 0.7628478730976795
Energy: 0.7577968436951801
Energy: 0.7614322276689514
Energy: 0.7581269927602504
Energy: 0.7614322276689514
Energy: 0.7608649679505383
Energy: 0.7592632140248973
Energy: 0.7974044058846637
Energy: 0.7592632140248973
Energy: 0.7593593541020529
Energy: 0.7587597877304302
Energy: 0.7580552833220194
Energy: 0.7587597877304302
Energy: 0.7984522366164595
Energy: 0.8464034873007372
Energy: 0.7574594187975839
Energy: 0.8464034873019427
Energy: 0.7623904176046653
Energy: 0.8430179897849949
Energy: 0.7581851407654471
Energy: 0.8430179897855976
Energy: 0.7590984883237715
Energy: 0.8792464334702819
Energy: 0.761848292883407
Energy: 0.8792464334714873
Energy: 0.7621145432616943
Energy: 0.877655085311802
Energy: 0.8023474110114934
Energy: 0.8776550853124048
Energy: 0.7592941119542775
Energy: 0.8789235990194056
Energy: 0.7954193301702239
Energy: 0.8789235990194056
Energy: 0.7635587265968212
Energy: 0.8777569556358362
Energy: 0.8005296733049387
Energy: 0.8777569556364389
Energy: 0.799098603494931
Energy: 0.8529664024837793
Energy: 0.7575450217168559
Energy: 0.8529664024837793
Energy: 0.799384008650548
Energy: 0.8726927803476742
Energy: 0.7580900107029707
Energy: 0.8726927803458662
Energy: 0.7675279140688911
Energy: 0.7621486741209035
Energy: 0.7991494412885399
Energy: 0.7621486741215061
Energy: 0.7596609554053503
Energy: 0.758701138841858
Energy: 0.7196007728008244
Energy: 0.7587011388424608
Energy: 0.7190874746481463
Energy: 0.7599911978652124
Energy: 0.75984642391155
Energy: 0.759991197865815

minimum gb energy = 0.7190874746481463 eV
minimum distance =  2.58034993538395 Angstroms
sigma value = 1


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

Energy: 0.9113354240549391
Energy: 0.8180414235282323
Energy: 0.819300308885175
Energy: 0.8180414235268579
Energy: 0.8174137179800232
Energy: 0.8484829464340591
Energy: 0.8172557360765157
Energy: 0.8484829464313102
Energy: 0.8147548244824483
Energy: 0.8143887904440237
Energy: 0.8170704489682179
Energy: 0.8143887904453981
Energy: 0.813699734758332
Energy: 0.8126131160755201
Energy: 0.816670363700463
Energy: 0.812613116074833
Energy: 0.8164192454309527
Energy: 0.8153530648552828
Energy: 0.8137824395340969
Energy: 0.8153530648559701
Energy: 0.8121583406405669
Energy: 0.9227761848927077
Energy: 0.8168497969393181
Energy: 0.922776184893395
Energy: 0.8113959543466953
Energy: 0.9112843392854745
Energy: 0.8168614473900483
Energy: 0.9112843392847874
Energy: 0.8118377754240299
Energy: 0.9090793901079426
Energy: 0.8174225689121797
Energy: 0.9090793901045067
Energy: 0.8161783979311887
Energy: 0.9418605172762482
Energy: 0.7676225604943488
Energy: 0.941860517275561
Energy: 0.8176123431704537
Energy: 0.941301274182724
Energy: 0.858614275793546
Energy: 0.9413012741840985
Energy: 0.8538306142687718
Energy: 0.9214056197334579
Energy: 0.8111607522488934
Energy: 0.9214056197375499
Energy: 0.8549959998023059
Energy: 0.9109112309441662
Energy: 0.8115040442464598
Energy: 0.9109112309441662
Energy: 0.814111797899889
Energy: 0.8252086874518898
Energy: 0.8560016925585964
Energy: 0.8252086874532643
Energy: 0.8144167664958283
Energy: 0.8122748964708293
Energy: 0.7673807148268277
Energy: 0.8122748964694548
Energy: 0.7673330531823731
Energy: 0.8136690832930432
Energy: 0.8147569698170177
Energy: 0.8136690832944177
Energy: 0.8626852801797985
Energy: 0.8149232278843236
Energy: 0.8170881816561133
Energy: 0.8149232278808877
Energy: 0.817311020158122
Energy: 0.8135137512309212
Energy: 0.8162020839022773
Energy: 0.81351375123367
Energy: 0.8140328107977955
Energy: 0.8127390389771512
Energy: 0.817478065200242
Energy: 0.8127390389771512
Energy: 0.8155475723467299
Energy: 0.812711715908703
Energy: 0.8145275901393886
Energy: 0.8127117159073287
Energy: 0.8125039314319412
Energy: 0.8127559400169072
Energy: 0.814192725351225
Energy: 0.8127559400162199
Energy: 0.8109841488354885
Energy: 0.9105561805873746
Energy: 0.8162035020596221
Energy: 0.9105561805866875
Energy: 0.8118510189826202
Energy: 0.9110763374965516
Energy: 0.8164360200013696
Energy: 0.9110763374965516
Energy: 0.8173225628227712
Energy: 0.9419549952342624
Energy: 0.7686198374010361
Energy: 0.9419549952335753
Energy: 0.8168855455466077
Energy: 0.9409979321507002
Energy: 0.8140324263662241
Energy: 0.9409979321520746
Energy: 0.8539229693066411
Energy: 0.9212663802228855
Energy: 0.8116426367845677
Energy: 0.9212663802242599
Energy: 0.8564661101587313
Energy: 0.9222524689049765
Energy: 0.8112352562335416
Energy: 0.922252468907038
Energy: 0.8240910677262073
Energy: 0.8251554912022321
Energy: 0.8564269681324851
Energy: 0.825155491205668
Energy: 0.8144716032353602
Energy: 0.8252490538097625
Energy: 0.7672951720083998
Energy: 0.8252490538077011
Energy: 0.7671443733588337
Energy: 0.8134228740880756
Energy: 0.8136242146068922
Energy: 0.8134228740907931

minimum gb energy = 0.7671443733588337 eV
minimum distance =  2.58258242094945 Angstroms
sigma value = 25


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

Energy: 0.9717406254293753
Energy: 0.8816878096868325
Energy: 0.8819154306627193
Energy: 0.8816878096868325
Energy: 0.8810117772293495
Energy: 0.9099809559680789
Energy: 0.8809737835528325
Energy: 0.9099809559680789
Energy: 0.8763654686239286
Energy: 0.8764038218327868
Energy: 0.8354600814725176
Energy: 0.876403821831988
Energy: 0.8755942409081999
Energy: 0.873892220216675
Energy: 0.8358018217740574
Energy: 0.8738922202174739
Energy: 0.8358987127053225
Energy: 0.8926046504030996
Energy: 0.8772674104367313
Energy: 0.8926046504023006
Energy: 0.8244232282534056
Energy: 0.9990863483874753
Energy: 0.8368771872215455
Energy: 0.9990863483874753
Energy: 0.8733502336648127
Energy: 1.009881478722852
Energy: 0.8724743815700469
Energy: 1.009881478723651
Energy: 0.8735733879160866
Energy: 0.9850100264510391
Energy: 0.8360486103681742
Energy: 0.9850100264510391
Energy: 0.8735228891581057
Energy: 1.0088901352739132
Energy: 0.8234722853168894
Energy: 1.0088901352731143
Energy: 0.8241356485947445
Energy: 1.010521312552089
Energy: 0.8359465550102851
Energy: 1.010521312552089
Energy: 0.821957244949612
Energy: 0.8927094831971748
Energy: 0.8784430916137642
Energy: 0.8927094831979737
Energy: 0.8216578617609248
Energy: 0.8782800533459606
Energy: 0.8362131311717051
Energy: 0.8782800533467595
Energy: 0.8754238578308987
Energy: 0.8753837165789183
Energy: 0.8225121126726167
Energy: 0.8753837165797171
Energy: 0.880796098314124
Energy: 0.8241292744298004
Energy: 0.8765287162889484
Energy: 0.8241292744290015
Energy: 0.836175104950942
Energy: 0.8755205894022854
Energy: 0.8810145565204138
Energy: 0.8755205894022854
Energy: 0.8818486869181343
Energy: 0.8253211869870637
Energy: 0.8757179990797855
Energy: 0.8253211869862648
Energy: 0.8778339594875778
Energy: 0.872679664775692
Energy: 0.8351175613017285
Energy: 0.872679664775692
Energy: 0.8783490076099513
Energy: 0.873552591777613
Energy: 0.8249083443999522
Energy: 0.8735525917784119
Energy: 0.8724836633887206
Energy: 1.0117875440935633
Energy: 0.8733370192202932
Energy: 1.0117875440943622
Energy: 0.8368223526943179
Energy: 1.0095496645911295
Energy: 0.8729576688101244
Energy: 1.0095496645919284
Energy: 0.8245844588527732
Energy: 1.008702109740631
Energy: 0.873404499910799
Energy: 1.0087021097414295
Energy: 0.8216153180550582
Energy: 1.0092700497197795
Energy: 0.8249554157287537
Energy: 1.0092700497197795
Energy: 0.8778939213491498
Energy: 0.8927667950925003
Energy: 0.8218152776744929
Energy: 0.8927667950925003
Energy: 0.8359608221600413
Energy: 0.877793180933757
Energy: 0.8216337004745916
Energy: 0.877793180933757
Energy: 0.8216476115772698
Energy: 0.8753559569245095
Energy: 0.8755709735563901
Energy: 0.8753559569237106

minimum gb energy = 0.8216153180550582 eV
minimum distance =  2.582307577027 Angstroms
sigma value = 9


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

Energy: 1.3070336267461935
Energy: 0.9461203160197507
Energy: 0.955274523708638
Energy: 0.9461203160197507
Energy: 0.9547574546869023
Energy: 0.9783654268434441
Energy: 0.9546655785095667
Energy: 0.9783654268434441
Energy: 0.9462607248223942
Energy: 0.946512727771286
Energy: 0.9548664242894407
Energy: 0.946512727771286
Energy: 0.9459236463215344
Energy: 0.979082438746342
Energy: 0.9516352296597325
Energy: 0.9790824387472951
Energy: 0.9492405912926934
Energy: 0.952345554926729
Energy: 0.9511255611193841
Energy: 0.9523455549257761
Energy: 0.9429782388794544
Energy: 0.9429359984034257
Energy: 0.9519484758287533
Energy: 0.9429359984024727
Energy: 1.0012149819447804
Energy: 1.0962315214413683
Energy: 0.9516262796966097
Energy: 1.0962315214423213
Energy: 0.9519615410949867
Energy: 1.0787343331502928
Energy: 0.9527567405814126
Energy: 1.0787343331512458
Energy: 0.9520474264351122
Energy: 0.9526971389392959
Energy: 0.8814553431778216
Energy: 0.9526971389412018
Energy: 0.9517560769995509
Energy: 0.951958225967933
Energy: 0.8813883660117803
Energy: 0.95195822596698
Energy: 0.8815137904476728
Energy: 0.9458915393875514
Energy: 0.9458730452023827
Energy: 0.9458915393875514
Energy: 1.0062405906064826
Energy: 0.9431718804164619
Energy: 0.9545341383007463
Energy: 0.943171880414556
Energy: 0.9546789774665924
Energy: 0.9459146324077553
Energy: 0.9548481241375071
Energy: 0.9459146324077553
Energy: 0.9457552363959696
Energy: 0.9428149902387364
Energy: 0.9463636116505036
Energy: 0.9428149902396894
Energy: 0.949222676767819
Energy: 0.9423675536459784
Energy: 0.9517520381186697
Energy: 0.9423675536459784
Energy: 0.9428528067097939
Energy: 1.0058503714238074
Energy: 0.9514447166596796
Energy: 1.0058503714238074
Energy: 1.000880816190681
Energy: 1.0980880384964613
Energy: 0.9516909874086815
Energy: 1.0980880384964613
Energy: 1.000915382769328
Energy: 1.0985225780814636
Energy: 0.9517823644505432
Energy: 1.0985225780805103
Energy: 0.9523383729035935
Energy: 0.9535722351346804
Energy: 0.8813983634664133
Energy: 0.9535722351375394
Energy: 0.9518879349026437
Energy: 0.9518954068416497
Energy: 0.8814810366823321
Energy: 0.9518954068435558
Energy: 0.8805894392610132
Energy: 0.9460282295616873
Energy: 0.94533237748483
Energy: 0.9460282295616873

minimum gb energy = 0.8805894392610132 eV
minimum distance =  2.57826032288998 Angstroms
sigma value = 25


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

Energy: 1.1752682541720925
Energy: 1.0295047721809287
Energy: 1.0439342410694632
Energy: 1.0295047721809287
Energy: 1.0390940467138805
Energy: 1.0221378654310318
Energy: 1.0391300639277752
Energy: 1.0221378654310318
Energy: 1.0298190713497697
Energy: 1.0296019700106371
Energy: 1.038483925134194
Energy: 1.0296019700106371
Energy: 1.0290876826424808
Energy: 1.0228258550122917
Energy: 0.9756229135664195
Energy: 1.0228258550134703
Energy: 0.9717826718658192
Energy: 1.0812778438965125
Energy: 0.977081789211241
Energy: 1.0812778438965125
Energy: 0.9529990438868408
Energy: 1.0917398076693414
Energy: 0.9742453710214887
Energy: 1.0917398076693414
Energy: 0.9493994492509421
Energy: 1.0827251336471957
Energy: 0.9757173210114812
Energy: 1.0827251336460175
Energy: 0.9492087766362567
Energy: 1.0238280091629572
Energy: 0.9755026361940299
Energy: 1.0238280091629572
Energy: 1.0289094752304684
Energy: 1.0288810233349606
Energy: 1.1029957636275625
Energy: 1.0288810233349606
Energy: 1.0393459898999438
Energy: 1.0294434401096932
Energy: 1.1007030234706747
Energy: 1.0294434401096932
Energy: 1.038406402196849
Energy: 1.0294167434845176
Energy: 1.0390222840458665
Energy: 1.0294167434856962
Energy: 1.0281554894761267
Energy: 1.0294264984171198
Energy: 1.0295865556466426
Energy: 1.0294264984171198
Energy: 0.9746316343693345
Energy: 1.0919211620006062
Energy: 0.9719506584993458
Energy: 1.0919211620017844
Energy: 0.9755663099156469
Energy: 1.0816295092657415
Energy: 0.9541048431802184
Energy: 1.0816295092657415
Energy: 0.9755541184294723
Energy: 1.0828733551347356
Energy: 0.949371018125938
Energy: 1.0828733551335572
Energy: 0.9750662043655839
Energy: 1.0832747720550735
Energy: 0.9496276057328611
Energy: 1.0832747720550735
Energy: 1.101517467908188
Energy: 1.028549353030203
Energy: 1.028032058766945
Energy: 1.028549353030203

minimum gb energy = 0.9492087766362567 eV
minimum distance =  2.57436548591594 Angstroms
sigma value = 17


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

Energy: 1.5476748545686272
Energy: 1.132026031216372
Energy: 1.1331408716128932
Energy: 1.132026031216372
Energy: 0.9965436492537433
Energy: 0.9961202158601743
Energy: 1.076276530536751
Energy: 0.9961202158601743
Energy: 1.0196286015431626
Energy: 1.0194070662550831
Energy: 1.1236252926750405
Energy: 1.0194070662564179
Energy: 1.0197430255425268
Energy: 1.1017646088707589
Energy: 1.0179608535085571
Energy: 1.1017646088707589
Energy: 1.019697448812439
Energy: 1.0753576130980984
Energy: 0.9796782440398097
Energy: 1.0753576130987659
Energy: 1.018459282546419
Energy: 1.0366863921802978
Energy: 1.0195165026544133
Energy: 1.0366863921796303
Energy: 1.0552038686763858
Energy: 1.0180664558334416
Energy: 1.0187744244218329
Energy: 1.0180664558334416
Energy: 1.1640629472221726
Energy: 1.0178409703572295
Energy: 0.9986278475276048
Energy: 1.017840970357897
Energy: 1.1246032885711164
Energy: 1.1115980390068283
Energy: 1.1133229079892253
Energy: 1.1115980390068283
Energy: 1.1115884506096596
Energy: 1.1115621963902218
Energy: 1.0749906481012863
Energy: 1.1115621963902218
Energy: 1.0177007516326186
Energy: 0.98161819318349
Energy: 0.994472826950902
Energy: 0.9816181931828224
Energy: 1.1122477368644033
Energy: 0.9962461528929208
Energy: 0.9986094913366752
Energy: 0.9962461528935883
Energy: 1.0557725580775177
Energy: 0.9963652265104053
Energy: 0.9971537732887444
Energy: 0.9963652265104053
Energy: 1.0559301578453124
Energy: 0.9965097706306166
Energy: 0.99561912983761
Energy: 0.9965097706312841
Energy: 1.1112678123732935
Energy: 1.1109040765673266
Energy: 1.165591066492143
Energy: 1.1109040765666591
Energy: 1.1240366458096338
Energy: 1.1110129020564778
Energy: 1.1661139568678462
Energy: 1.1110129020551431
Energy: 1.1120930538749536
Energy: 1.0180865899875302
Energy: 1.0195234600889214
Energy: 1.018086589988865
Energy: 1.1122222029363846
Energy: 1.0181076826529183
Energy: 1.0172134625181914
Energy: 1.0181076826542532
Energy: 1.0188982517821343
Energy: 1.075432821924216
Energy: 1.020053301025337
Energy: 1.075432821924216
Energy: 0.9800646520020817
Energy: 1.0363038547722312
Energy: 1.0203991258780658
Energy: 1.0363038547728987
Energy: 1.0185685038731946
Energy: 1.0189329587123896
Energy: 1.164279842834905
Energy: 1.0189329587130573
Energy: 1.0197006008838572
Energy: 1.0288859812636246
Energy: 1.055690363344274
Energy: 1.0288859812636246
Energy: 1.0748028690906732
Energy: 1.1116624217662714
Energy: 1.0750946581278076
Energy: 1.1116624217676063
Energy: 1.123016407057979
Energy: 1.111761076732821
Energy: 1.1117651445263501
Energy: 1.1117610767321535
Energy: 0.996441499671142
Energy: 0.9960727904783468
Energy: 1.1122340332891218
Energy: 0.9960727904770119
Energy: 0.9988909295650394
Energy: 0.9964094550481803
Energy: 1.0181759347022172
Energy: 0.9964094550488478
Energy: 0.994110318673554
Energy: 0.9966416671239376
Energy: 1.0570085815171908
Energy: 0.9966416671246052
Energy: 0.9980276502232857
Energy: 0.9964335788610446
Energy: 1.0563907379550037
Energy: 0.9964335788623793
Energy: 0.9964236190677505
Energy: 0.9960535846450826
Energy: 1.055672959853048
Energy: 0.9960535846457503
Energy: 1.1681505286123715
Energy: 1.1119216985960734
Energy: 1.1114466519979036
Energy: 1.111921698597408

minimum gb energy = 0.9796782440398097 eV
minimum distance =  2.58084808907599 Angstroms
sigma value = 53


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

Energy: 1.429171277560051
Energy: 1.0745885544773426
Energy: 1.077004191640885
Energy: 1.0745885544788794
Energy: 1.0730280706963282
Energy: 1.024998953617559
Energy: 1.0740508051184254
Energy: 1.024998953617716
Energy: 1.0740076274648163
Energy: 1.074190268215688
Energy: 1.0824697198994997
Energy: 1.074190268215688
Energy: 1.07408544951079
Energy: 1.027015666756425
Energy: 1.0718017710370544
Energy: 1.027015666756425
Energy: 1.087083901861958
Energy: 1.0261799543243069
Energy: 0.9633181316652205
Energy: 1.0261799543233814
Energy: 1.072322772007278
Energy: 1.0292302436496366
Energy: 0.9653900847311668
Energy: 1.029230243651173
Energy: 1.1732512698953887
Energy: 1.0735602265646322
Energy: 1.0738719705592357
Energy: 1.0735602265643351
Energy: 1.1731903458372692
Energy: 1.0723302151719216
Energy: 1.0709573411119637
Energy: 1.0723302151717646
Energy: 1.076270192994084
Energy: 1.075246568244262
Energy: 1.0845826125545819
Energy: 1.0752465682448729
Energy: 1.0720524432041616
Energy: 1.0731967324435385
Energy: 1.0739552799951149
Energy: 1.073196732443696
Energy: 1.0874296084157817
Energy: 1.029432909056332
Energy: 0.9642777773331924
Energy: 1.0294329090555638
Energy: 1.0738904592551435
Energy: 1.0259196420779555
Energy: 0.9606833059769927
Energy: 1.0259196420776413
Energy: 1.173239948906174
Energy: 1.0724676960944028
Energy: 1.071557370581546
Energy: 1.0724676960944028

minimum gb energy = 0.9606833059769927 eV
minimum distance =  2.56576284607622 Angstroms
sigma value = 9


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

Energy: 1.3705383405734335
Energy: 1.1447030315807962
Energy: 1.1951545805942043
Energy: 1.1447030315842084
Energy: 1.0179529137876753
Energy: 1.0162850747646268
Energy: 1.1569847860682585
Energy: 1.0162850747651957
Energy: 1.0136318163897826
Energy: 1.014716461583854
Energy: 1.143184010943995
Energy: 1.014716461583854
Energy: 1.015667258070165
Energy: 1.0169727092798664
Energy: 1.2070481621977298
Energy: 1.016972709281004
Energy: 1.0168209822041676
Energy: 1.0159244938820908
Energy: 1.2050454536479356
Energy: 1.0159244938820908
Energy: 1.0158655517669986
Energy: 1.0163305000314864
Energy: 1.2051548492966129
Energy: 1.0163305000314864
Energy: 1.165184319663893
Energy: 1.1439039679856648
Energy: 1.1574129005520004
Energy: 1.1439039679856648
Energy: 1.1573769085730703
Energy: 1.1431541013646545
Energy: 1.1442432371980584
Energy: 1.1431541013640856
Energy: 1.0457853442310134
Energy: 1.0937293804745216
Energy: 1.0607171328973732
Energy: 1.093729380477934
Energy: 1.023975865137683
Energy: 1.0639595502637273
Energy: 1.145413886828493
Energy: 1.0639595502654338
Energy: 1.0430477755756862
Energy: 1.0432199370629094
Energy: 1.125132734996117
Energy: 1.0432199370617719
Energy: 1.060208597733385
Energy: 1.045213805317623
Energy: 1.20554393155198
Energy: 1.0452138053164854
Energy: 1.1557146654628612
Energy: 1.0432243626856532
Energy: 1.0660689132340517
Energy: 1.0432243626862219
Energy: 1.1643707289858476
Energy: 1.0442192831787858
Energy: 1.0450949974006716
Energy: 1.0442192831787858
Energy: 1.1431265798450931
Energy: 1.0461903852123007
Energy: 1.0465107747833715
Energy: 1.0461903852123007
Energy: 1.0807089338759346
Energy: 1.147509511789227
Energy: 1.0468469939418648
Energy: 1.1475095117897958
Energy: 1.1453332807567222
Energy: 1.1008940814764623
Energy: 1.046534032194689
Energy: 1.1008940814775996
Energy: 1.143377055383414
Energy: 1.1451112194169213
Energy: 1.2064421695438565
Energy: 1.1451112194174897
Energy: 1.1578710454356653
Energy: 1.162522331421906
Energy: 1.0545658100488318
Energy: 1.162522331421906
Energy: 1.1433436823136436
Energy: 1.0145676144692937
Energy: 1.0136438865705
Energy: 1.014567614468725
Energy: 1.2076986742558753
Energy: 1.016635831767263
Energy: 1.0174234872109296
Energy: 1.0166358317661257
Energy: 1.2048990302375324
Energy: 1.0155979335502454
Energy: 1.0161850829060834
Energy: 1.0155979335508143
Energy: 1.2050850828513866
Energy: 1.0167906518800982
Energy: 1.0158710310750207
Energy: 1.0167906518795296
Energy: 1.1583305925551746
Energy: 1.1435791291502768
Energy: 1.1652165304374151
Energy: 1.1435791291502768
Energy: 1.1447070039190688
Energy: 1.1432278212254332
Energy: 1.1568686633371137
Energy: 1.143227821224296
Energy: 1.0594902621861497
Energy: 1.1073904700232375
Energy: 1.0446871416271748
Energy: 1.107390470022669
Energy: 1.1440604848818314
Energy: 1.0632004062031997
Energy: 1.0237981747842677
Energy: 1.0632004062031997
Energy: 1.124359800260609
Energy: 1.0436263656327769
Energy: 1.0437369828367422
Energy: 1.0436263656333455
Energy: 1.2049525640578884
Energy: 1.0461585856160545
Energy: 1.0579829705851576
Energy: 1.0461585856160545
Energy: 1.0671728131539313
Energy: 1.0435970782993491
Energy: 1.1566412234707486
Energy: 1.0435970783004866
Energy: 1.0461173789047364
Energy: 1.0449029226476352
Energy: 1.143825792423628
Energy: 1.0449029226464976
Energy: 1.0462783326071532
Energy: 1.0471444487333135
Energy: 1.1436433938920063
Energy: 1.0471444487338821
Energy: 1.0578482066284178
Energy: 1.1610740031734044
Energy: 1.0804891351634747
Energy: 1.161074003172267
Energy: 1.0452945692759297
Energy: 1.1026127790777236
Energy: 1.0801437515894436
Energy: 1.1026127790782922
Energy: 1.2063495447868684
Energy: 1.1446540286405988
Energy: 1.143368526229541
Energy: 1.1446540286411673

minimum gb energy = 1.0136318163897826 eV
minimum distance =  2.55088895619185 Angstroms
sigma value = 73


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

Energy: 1.5174747486783735
Energy: 1.10072798531125
Energy: 1.1024160287319063
Energy: 1.1007279853103475
Energy: 1.0309615765160038
Energy: 1.0271894413017904
Energy: 1.1167131803259693
Energy: 1.0271894413017904
Energy: 1.0247645967880543
Energy: 1.0251115199270242
Energy: 1.1332056335161818
Energy: 1.0251115199270242
Energy: 1.0257828159421294
Energy: 1.0262664680130669
Energy: 1.1915995361089424
Energy: 1.0262664680121647
Energy: 1.0282646831651825
Energy: 1.0284123960473217
Energy: 1.170116702336808
Energy: 1.028412396048224
Energy: 1.0872497680973452
Energy: 1.0288298468340331
Energy: 1.198838729270849
Energy: 1.0288298468340331
Energy: 1.1835852319316775
Energy: 1.136905130887312
Energy: 1.151981735746684
Energy: 1.1369051308864095
Energy: 1.0928099805962548
Energy: 1.135091900960769
Energy: 1.1351662042914952
Energy: 1.1350919009598663
Energy: 1.08196504703101
Energy: 1.1737833938627942
Energy: 1.1360009368179527
Energy: 1.1737833938618918
Energy: 1.04367275249477
Energy: 1.0029646711148108
Energy: 1.1375140021724535
Energy: 1.0029646711139084
Energy: 1.0820118006355541
Energy: 1.0012803641055072
Energy: 1.1365286590981682
Energy: 1.001280364104605
Energy: 1.0673829911551276
Energy: 1.0023203868183035
Energy: 1.1832593602014083
Energy: 1.0023203868183035
Energy: 1.1334710725425028
Energy: 1.0732977922571725
Energy: 1.06062113211199
Energy: 1.07329779225627
Energy: 1.1336016066071732
Energy: 1.0549535500946103
Energy: 1.0531912626592557
Energy: 1.0549535500946103
Energy: 1.1588001051594514
Energy: 1.0542360954382326
Energy: 1.0538256701516278
Energy: 1.0542360954382326
Energy: 1.1820725555073817
Energy: 1.0551587440626329
Energy: 1.0539401978713088
Energy: 1.0551587440635355
Energy: 1.1693716338516873
Energy: 1.0593305344742516
Energy: 1.0539248179253409
Energy: 1.0593305344751538
Energy: 1.1234988788921014
Energy: 1.1723070192640255
Energy: 1.1839138987191482
Energy: 1.172307019264928
Energy: 1.1070211343247653
Energy: 1.1080115364165382
Energy: 1.107603547876424
Energy: 1.1080115364165382
Energy: 1.1071082230648097
Energy: 1.0973701741524207
Energy: 1.1015288549377469
Energy: 1.0973701741524207
Energy: 1.106877220487286
Energy: 1.1006549211423065
Energy: 1.0440603361514869
Energy: 1.1006549211414043
Energy: 1.171209152245325
Energy: 1.1005319603405597
Energy: 1.100984398464092
Energy: 1.1005319603405597

minimum gb energy = 1.001280364104605 eV
minimum distance =  2.53924742017561 Angstroms
sigma value = 7


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

Energy: 1.1734387480081896
Energy: 1.0939570862485994
Energy: 1.182114376792725
Energy: 1.093957086257532
Energy: 1.021891428984138
Energy: 1.0923168758847752
Energy: 1.2135866336479564
Energy: 1.092316875884137
Energy: 1.0204485317354621
Energy: 1.022073886987657
Energy: 1.0914889778030465
Energy: 1.0220738869870192
Energy: 1.023802882706665
Energy: 1.0247554864425719
Energy: 1.2176933354654662
Energy: 1.0247554864464001
Energy: 1.0211580833470562
Energy: 1.0203408617193732
Energy: 1.1605280316116775
Energy: 1.0203408617200116
Energy: 1.0344130254491732
Energy: 1.0204264447448155
Energy: 1.1607216222253478
Energy: 1.0204264447448155
Energy: 1.1532710626393243
Energy: 1.0212935357661428
Energy: 1.0329639596739277
Energy: 1.0212935357680568
Energy: 1.211659037792656
Energy: 1.0199449139845174
Energy: 1.0203936298414562
Energy: 1.0199449139851553
Energy: 1.153719481838933
Energy: 1.0324644152791627
Energy: 1.0313574341027967
Energy: 1.0324644152778866
Energy: 1.1611180697837138
Energy: 1.1765795515017268
Energy: 1.0194964760482863
Energy: 1.1765795514966513
Energy: 1.2133263815557362
Energy: 1.0912892098331908
Energy: 1.101088974250135
Energy: 1.091289209832553
Energy: 1.093443295487624
Energy: 1.0941885265108509
Energy: 1.1537388099522583
Energy: 1.0941885265140407
Energy: 1.0928257826970347
Energy: 1.0943139611003918
Energy: 1.093763655297565
Energy: 1.0943139610959254
Energy: 1.093338917079733
Energy: 1.0812428457725405
Energy: 1.021572159404264
Energy: 1.0812428457750929
Energy: 1.09318974244256
Energy: 1.0951019092361713
Energy: 1.0228158434027066
Energy: 1.0951019092361713
Energy: 1.1451629933777163
Energy: 1.0941684381876295
Energy: 1.0927872258141096
Energy: 1.0941684381889056
Energy: 1.2070473075252914
Energy: 1.090974328733239
Energy: 1.2133535862096625
Energy: 1.0909743287326008
Energy: 1.0207281771028223
Energy: 1.1770219049729609
Energy: 1.0917002966507519
Energy: 1.177021904969771
Energy: 1.0306608365167762
Energy: 1.0278146443688572
Energy: 1.1537741577855662
Energy: 1.027814644366305
Energy: 1.020572680229946
Energy: 1.0198649699452338
Energy: 1.1458878220956956
Energy: 1.0198649699477862
Energy: 1.0333677793745735
Energy: 1.0212742644111399
Energy: 1.1606741697150582
Energy: 1.021274264413054
Energy: 1.155710981261747
Energy: 1.0204232606319839
Energy: 1.0335991274438268
Energy: 1.0204232606319839
Energy: 1.1567154485861435
Energy: 1.0204105829595378
Energy: 1.0195588858613045
Energy: 1.020410582957624
Energy: 1.1541664845442767
Energy: 1.0250382036085652
Energy: 1.0239729593520346
Energy: 1.0250382036104793
Energy: 1.1611071482286255
Energy: 1.0219129243193497
Energy: 1.0205445786732232
Energy: 1.0219129243206257
Energy: 1.1623856041522842
Energy: 1.0920724684450998
Energy: 1.0219099553629656
Energy: 1.0920724684482896
Energy: 1.0928138164923635
Energy: 1.0925171705162593
Energy: 1.543552121326525
Energy: 1.0925171705156211
Energy: 1.0910584878314424
Energy: 1.0928963825274387
Energy: 1.0923787758003423
Energy: 1.0928963825261626
Energy: 1.0941960543986873
Energy: 1.081951946162319
Energy: 1.0947018795493904
Energy: 1.081951946162319
Energy: 1.0909236160371072
Energy: 1.0924353717623132
Energy: 1.02185054233292
Energy: 1.0924353717635893
Energy: 1.1479950357822544
Energy: 1.091711230197674
Energy: 1.0948298628953106
Energy: 1.09171123019895

minimum gb energy = 1.0194964760482863 eV
minimum distance =  2.53973405391668 Angstroms
sigma value = 29


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

Energy: 0.9981061080816006
Energy: 1.0486178654324398
Energy: 0.9925690695147141
Energy: 1.0486178654315756
Energy: 0.989453687162608
Energy: 1.0496049712949813
Energy: 0.9937210854959594
Energy: 1.0496049712949813
Energy: 0.9892862820444229
Energy: 1.055470491748286
Energy: 0.983787933473803
Energy: 1.0554704917480886
Energy: 0.9790131742098068
Energy: 0.9891868212387911
Energy: 0.9880275044993477
Energy: 0.9891868212390135
Energy: 0.987998641744154
Energy: 0.9894692423836207
Energy: 0.9814216529278342
Energy: 0.989469242381472
Energy: 0.9877193403618914
Energy: 1.0520753788834232
Energy: 0.9802575398792779
Energy: 1.0520753788829786
Energy: 0.9830765346895443
Energy: 1.0551750734241288
Energy: 0.9883532638391888
Energy: 1.055175073423462
Energy: 0.9928022714165439
Energy: 0.9903007119386751
Energy: 0.9780371898375467
Energy: 0.9903007119390949
Energy: 0.9774252997340724
Energy: 0.9950716382334295
Energy: 0.9949453141090725
Energy: 0.9950716382336517

minimum gb energy = 0.9774252997340724 eV
minimum distance =  2.5346534841026 Angstroms
sigma value = 5


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

Energy: 1.2283894827257218
Energy: 0.9417105709325604
Energy: 1.1087051241700812
Energy: 0.9417099441129834
Energy: 1.1231837744669744
Energy: 0.9361504585677239
Energy: 1.1249882625230994
Energy: 0.9361504585659157
Energy: 1.1243715415024662
Energy: 1.0071189349929819
Energy: 1.1272954836924332
Energy: 1.0071189349959957
Energy: 1.0444656361509919
Energy: 1.0917105111793182
Energy: 1.1218066599604721
Energy: 1.0917105111787155
Energy: 1.0304980895947387
Energy: 0.9387131578465716
Energy: 1.0456354084266788
Energy: 0.9387131578471742
Energy: 0.9391514816723231
Energy: 0.9381077813706138
Energy: 1.0443546893603373
Energy: 0.9381077813694084
Energy: 0.9393016714159963
Energy: 0.9392678285653334
Energy: 1.1223745214412424
Energy: 0.939267828565936
Energy: 0.9372253914885648
Energy: 0.9372263837349367
Energy: 1.1999958166010707
Energy: 0.9372263837349367
Energy: 1.1021785072586796
Energy: 0.9640472416958952
Energy: 1.2033235144116303
Energy: 0.9640472417024976
Energy: 1.197686822218403
Energy: 0.9242736512455982
Energy: 0.9251276766477611
Energy: 0.9242736512431874
Energy: 1.1011773218165715
Energy: 0.9220718271841316
Energy: 0.921936398929302
Energy: 0.9220718271877478
Energy: 1.1991865656457992
Energy: 0.9228198053757786
Energy: 0.9232406183237926
Energy: 0.9228198053775867
Energy: 1.1990908266314722
Energy: 0.922459272368994
Energy: 0.937099561189416
Energy: 0.922459272370802
Energy: 1.0277148769452449
Energy: 0.9712711615420098
Energy: 1.1976443023200933
Energy: 0.9712711615474067
Energy: 1.0092358964379986
Energy: 1.0446490832615247
Energy: 1.2056666700234755
Energy: 1.0446490832621274
Energy: 1.0079551980835004
Energy: 0.9105066664083308
Energy: 0.9597940501295564
Energy: 0.9105066664089335
Energy: 1.004996853724747
Energy: 0.9146221621013487
Energy: 0.9582268051512484
Energy: 0.9146221621025541
Energy: 1.1905088676043498
Energy: 0.9103569732761316
Energy: 0.9599693046152474
Energy: 0.9103569732761316
Energy: 1.187186111224003
Energy: 0.9826807316450601
Energy: 0.9562511447082959
Energy: 0.9826807316444575
Energy: 1.1871760040092718
Energy: 0.9470557873114734
Energy: 1.0468559780396043
Energy: 0.9470557873120762
Energy: 1.0433961434434988
Energy: 0.945088866475181
Energy: 0.9575390771266109
Energy: 0.9450888664787971
Energy: 1.0439887428925916
Energy: 0.9454016253881811
Energy: 0.9459600054888103
Energy: 0.9454016253881811
Energy: 1.2582600029845066
Energy: 0.9453770758042854
Energy: 0.9448719141503136
Energy: 0.9453770758072989
Energy: 1.1997771291672328
Energy: 0.944731800925887
Energy: 0.9448068837212392
Energy: 0.944731800927695
Energy: 1.2048223424089914
Energy: 0.9182751896435629
Energy: 0.9618966309541931
Energy: 0.9182751896435629
Energy: 0.9174505700754965
Energy: 0.9164355781029191
Energy: 1.1976795355159013
Energy: 0.9164355781035219
Energy: 0.916014813188556
Energy: 0.9159549580378321
Energy: 0.9615836784552995
Energy: 0.9159549580384349
Energy: 0.9160114550466225
Energy: 0.9156429757083372
Energy: 1.0228359110127607
Energy: 0.9156429757077343
Energy: 1.0043303366911023
Energy: 0.9165897646333683
Energy: 1.1990977035592694
Energy: 0.9165897646309574
Energy: 1.1976267277977035
Energy: 0.9621155922597409
Energy: 0.9629656261783697
Energy: 0.9621155922603436
Energy: 1.1975135583306258
Energy: 0.9371022039918075
Energy: 0.9372034018090871
Energy: 0.937102203993013
Energy: 1.1226682224935371
Energy: 0.9369792681753272
Energy: 0.9369062159574912
Energy: 0.9369792681747245
Energy: 0.9474153492071308
Energy: 0.9395771721396383
Energy: 0.9403562539513703
Energy: 0.9395771721396383

minimum gb energy = 0.9103569732761316 eV
minimum distance =  2.51434114917292 Angstroms
sigma value = 1


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

Energy: 1.4081496868757748
Energy: 0.8846361750488819
Energy: 1.0609998351764802
Energy: 0.8846361750522154
Energy: 0.8856637884938382
Energy: 0.8835943167693695
Energy: 1.141677266513195
Energy: 0.8835943167693695
Energy: 1.1425729468665164
Energy: 0.9727247874678526
Energy: 1.1415643875769916
Energy: 0.9727247874686861
Energy: 0.9076572914457138
Energy: 0.9735959522322452
Energy: 1.1374010914883785
Energy: 0.973595952233912
Energy: 0.884314525760569
Energy: 0.8834603904674206
Energy: 1.1418730704713218
Energy: 0.8834603904674206
Energy: 0.8825617133778398
Energy: 0.8835610847244983
Energy: 1.1410383851417083
Energy: 0.8835610847253316
Energy: 0.8819001900889737
Energy: 0.8829943642800316
Energy: 1.1380478685162438
Energy: 0.8829943642808649
Energy: 0.8834769841262436
Energy: 0.8842792928320119
Energy: 1.3608587177995723
Energy: 0.8842792928311786
Energy: 1.139311755776516
Energy: 0.9207234725236938
Energy: 1.3613859736029827
Energy: 0.9207234725245272
Energy: 1.1376311347081924
Energy: 0.8841891867514788
Energy: 0.8837027875322091
Energy: 0.8841891867531455
Energy: 1.138802739977865
Energy: 0.8830837712324758
Energy: 0.8819856272543456
Energy: 0.8830837712316425
Energy: 1.3601192930180386
Energy: 0.8838050783351825
Energy: 0.8828762389919209
Energy: 0.883805078336016
Energy: 1.3601441999137187
Energy: 0.8836317887598333
Energy: 0.8838089231531713
Energy: 0.8836317887598333
Energy: 0.8864042641306141
Energy: 0.8841804929965007
Energy: 1.1442924328836444
Energy: 0.8841804929965007
Energy: 0.9087446067559117
Energy: 0.972632149410928
Energy: 1.14261634906029
Energy: 0.9726321494125948
Energy: 0.9088674938821533
Energy: 0.8835021152570515
Energy: 0.8866535470662279
Energy: 0.8835021152570515
Energy: 0.8836643926066581
Energy: 0.8838701028000784
Energy: 1.1458176576325325
Energy: 0.8838701027992452
Energy: 0.8827302239858349
Energy: 0.883817341660166
Energy: 1.137912984905684
Energy: 0.883817341660166
Energy: 0.8820574188132984
Energy: 0.8830668044173661
Energy: 1.3613113865037485
Energy: 0.8830668044181994
Energy: 0.8841981558718847
Energy: 0.8848377638152369
Energy: 1.3610732309880156
Energy: 0.8848377638160704
Energy: 1.141468475617377
Energy: 0.9210016243287815
Energy: 1.1375335318497362
Energy: 0.9210016243287815
Energy: 1.1431082439614089
Energy: 0.8838461516751911
Energy: 0.8832284285681097
Energy: 0.8838461516751911
Energy: 0.8858408540728935
Energy: 0.8833959591866244
Energy: 0.8824593010559685
Energy: 0.8833959591857912
Energy: 1.3601721565992917
Energy: 0.8836829051589199
Energy: 0.8827899743908206
Energy: 0.8836829051605866

minimum gb energy = 0.8819001900889737 eV
minimum distance =  2.53034909003672 Angstroms
sigma value = 17


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

Energy: 0.9526620145681252
Energy: 0.8653060567777346
Energy: 1.0530336314770894
Energy: 0.86530589533742
Energy: 0.8644243269059912
Energy: 0.8637384700456566
Energy: 1.029184586106755
Energy: 0.8637384700461717
Energy: 1.172340792705243
Energy: 0.8629463489779227
Energy: 1.0307502167259144
Energy: 0.8629463489758624
Energy: 1.1669208915556644
Energy: 0.9045305138419492
Energy: 1.0250510318534165
Energy: 0.9045305138424642
Energy: 1.0083245832173193
Energy: 0.8456149446142769
Energy: 1.0666249316599898
Energy: 0.8456149446142769
Energy: 0.8456816414660887
Energy: 0.8456162216541078
Energy: 1.0646517732700433
Energy: 0.8456162216551381
Energy: 0.8454158860066944
Energy: 0.845274781862382
Energy: 0.881116461332812
Energy: 0.8452747818628971
Energy: 0.846308489275098
Energy: 0.8455613612624095
Energy: 0.9557104165050662
Energy: 0.8455613612629246
Energy: 1.16796184762646
Energy: 0.8452056997859584
Energy: 1.0277099146789765
Energy: 0.8452056997859584
Energy: 1.0331206185402815
Energy: 0.9044563009613169
Energy: 1.026538533569187
Energy: 0.9044563009597717
Energy: 1.1667289632365947
Energy: 0.8627911063608411
Energy: 0.8782178426736825
Energy: 0.8627911063618712
Energy: 1.0620873707931664
Energy: 0.8625522167827144
Energy: 1.025359173023081
Energy: 0.8625522167821994
Energy: 1.0690868376604439
Energy: 0.8624006399655266
Energy: 0.8631913757997328
Energy: 0.8624006399650117
Energy: 0.8645397921018209
Energy: 0.8626603323180786
Energy: 0.8631010632251677
Energy: 0.8626603323170484
Energy: 1.176383840451375
Energy: 0.8639380610099865
Energy: 0.8644171747032225
Energy: 0.8639380610105016
Energy: 0.9526740698396998
Energy: 0.8633038095448394
Energy: 0.8646293380362955
Energy: 0.8633038095427792
Energy: 0.8640288213345991
Energy: 0.8634615308706539
Energy: 1.0631818497233965
Energy: 0.8634615308727142
Energy: 0.8625092005650279
Energy: 0.8624208058289092
Energy: 1.1696431030792713
Energy: 0.862420805828394
Energy: 0.8636884341457258
Energy: 0.8635565100207908
Energy: 1.0267213712912868
Energy: 0.8635565100207908
Energy: 0.8636367535124275
Energy: 0.862797468688152
Energy: 0.9502944788775771
Energy: 0.8627974686907274
Energy: 1.0304096680802908
Energy: 0.8634321471577413
Energy: 1.0098997845536337
Energy: 0.8634321471567111
Energy: 1.029680559464751
Energy: 1.0506808748524823
Energy: 1.173295086186401
Energy: 1.0506808748524823
Energy: 1.0255763117638037
Energy: 0.9042570858039535
Energy: 1.1776244341925997
Energy: 0.9042570858029233
Energy: 1.0697276288939834
Energy: 0.8457101642536663
Energy: 1.008413444256362
Energy: 0.8457101642546963
Energy: 1.0619063456781792
Energy: 0.8454658294352051
Energy: 0.8456021300876603
Energy: 0.84546582943469
Energy: 1.0256317419902337
Energy: 0.8452652786884975
Energy: 0.8456138705306246
Energy: 0.8452652786884975
Energy: 0.9500824729062953
Energy: 0.8456153338313407
Energy: 0.8463710827142311
Energy: 0.8456153338318557
Energy: 0.8823358834480772
Energy: 0.8454091883133503
Energy: 1.1695192671259473
Energy: 0.8454091883133503
Energy: 1.028057389151544
Energy: 0.9048937671444655
Energy: 1.03127236491628
Energy: 0.9048937671429202
Energy: 0.8783661789815417
Energy: 0.8625667397781857
Energy: 1.1654542947879774
Energy: 0.8625667397740652
Energy: 1.0245555009122302
Energy: 0.8625781885698914
Energy: 1.064901860537575
Energy: 0.8625781885709216
Energy: 0.8629358920247487
Energy: 0.8626308209195241
Energy: 1.0658632474861887
Energy: 0.8626308209184941
Energy: 0.8624483413307187
Energy: 0.8622403889836644
Energy: 1.0214512285408166
Energy: 0.8622403889836644
Energy: 0.864453170390225
Energy: 0.863608303695569
Energy: 1.1667192729589575
Energy: 0.8636083036950539
Energy: 1.02435571079899
Energy: 0.8865968192496557
Energy: 1.0587418160272346
Energy: 0.8865968192496557
Energy: 1.0634652154245274
Energy: 0.863077416385329
Energy: 0.8641157492253032
Energy: 0.8630774163858441
Energy: 1.1678178810811015
Energy: 0.8623932874976404
Energy: 0.8625132517767542
Energy: 0.8623932874981555
Energy: 1.029435552657847
Energy: 0.8629816457219942
Energy: 0.8634152080316586
Energy: 0.862981645720964

minimum gb energy = 0.8452056997859584 eV
minimum distance =  2.52860189910572 Angstroms
sigma value = 89


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

Energy: 1.8969463989600266
Energy: 0.7860250946355269
Energy: 0.7868346151396526
Energy: 0.7860250946352514
Energy: 0.7871671003512568
Energy: 0.8545443146301447
Energy: 0.7883185307190725
Energy: 0.854544314630405
Energy: 0.7844477408858713
Energy: 0.854266705064995
Energy: 0.7878215169683658
Energy: 0.8542667050652708
Energy: 0.7819450871055036
Energy: 0.852947502449707
Energy: 0.7852971217099468
Energy: 0.8529475024502431
Energy: 0.7847355072338689
Energy: 0.7848286171241274
Energy: 0.7842821405118227
Energy: 0.7848286171244032
Energy: 0.7838872261116693
Energy: 0.7845933988474281
Energy: 0.7845003639183149
Energy: 0.784593398847964
Energy: 0.7833768287477264
Energy: 0.7838337802643548
Energy: 0.7862798683518232
Energy: 0.7838337802642322
Energy: 0.7842414714325935
Energy: 0.7846606268621173
Energy: 0.7823831847781045
Energy: 0.7846606268622552
Energy: 0.7870912885950057
Energy: 0.7837543998899068
Energy: 0.7879642973163303
Energy: 0.7837543998897691
Energy: 0.7877729137499281
Energy: 0.8528004274556411
Energy: 0.7873941110362148
Energy: 0.8528004274560547
Energy: 0.7860906550953989
Energy: 0.8521989089466514
Energy: 0.7809973860682938
Energy: 0.8521989089466514
Energy: 0.7828479401888974
Energy: 0.7838968971719713
Energy: 0.7860152473557601
Energy: 0.7838968971720939
Energy: 0.7836881241459361
Energy: 0.7848228324910862
Energy: 0.7840431313717366
Energy: 0.7848228324910862
Energy: 0.7857997617023506
Energy: 0.7835658722621716
Energy: 0.7829415572313932
Energy: 0.7835658722627229
Energy: 0.7866262282597796
Energy: 0.7850015000279188
Energy: 0.7840772974303801
Energy: 0.7850015000281793

minimum gb energy = 0.7809973860682938 eV
minimum distance =  2.55041898336853 Angstroms
sigma value = 13


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

Energy: 1.6439777158295614
Energy: 0.7219311503835586
Energy: 0.9348903459486118
Energy: 0.7219311493892633
Energy: 0.900732438654573
Energy: 0.7185962938949525
Energy: 0.9032245158458513
Energy: 0.7185962938943875
Energy: 0.7251508231603353
Energy: 0.718478605162968
Energy: 0.9042323525564046
Energy: 0.7184786051607085
Energy: 1.0734593829716803
Energy: 0.7177997414633127
Energy: 0.9022114724693233
Energy: 0.7177997414593589
Energy: 0.9042348262415305
Energy: 0.7181026192307907
Energy: 0.9048967680807907
Energy: 0.7181026192251418
Energy: 0.9029942648626661
Energy: 0.7195537981466761
Energy: 0.90259854329202
Energy: 0.7195537981478058
Energy: 0.9039544602622218
Energy: 0.7185823296093352
Energy: 0.9008742175220983
Energy: 0.7185823296059459
Energy: 0.9030586947482827
Energy: 0.7191373448242935
Energy: 0.90803701111809
Energy: 0.7191373448214692
Energy: 0.7181243545392612
Energy: 0.7180137452688532
Energy: 0.9055528959297344
Energy: 0.7180137452643343
Energy: 0.7180643405867446
Energy: 0.717821598250799
Energy: 0.9048494410350169
Energy: 0.7178215982530586
Energy: 0.7192128162469434
Energy: 0.7179334706893222
Energy: 0.7247052180350765
Energy: 0.7179334706876277
Energy: 0.9028024292895288
Energy: 0.7568630319949553
Energy: 0.9041990953625839
Energy: 0.7568630319989094
Energy: 0.9058381581893818
Energy: 0.7560051491795714
Energy: 0.9015481830742705
Energy: 0.7560051491716888
Energy: 0.9018641320988672
Energy: 0.7563274230107846
Energy: 1.08399340875612
Energy: 0.7563274230073953
Energy: 0.9046944132631813
Energy: 0.7178391298221785
Energy: 0.9029416197417967
Energy: 0.7178391298137055
Energy: 0.9073429592599229
Energy: 0.7195619408319521
Energy: 0.7200123976852091
Energy: 0.7195619408279982
Energy: 0.9009287199449189
Energy: 0.7186883131124737
Energy: 0.7195041137617889
Energy: 0.7186883131147331
Energy: 0.7291467490410654
Energy: 0.7189954158404281
Energy: 0.7203186978809235
Energy: 0.7189954158421228
Energy: 1.073409688755144
Energy: 0.7178405373927154
Energy: 0.9005909036586242
Energy: 0.7178405373938449
Energy: 0.9045895125422061
Energy: 0.7178607826012063
Energy: 0.9057885908834483
Energy: 0.717860782604005
Energy: 1.0737052549385864
Energy: 0.7180468247444634
Energy: 0.9007236879678587
Energy: 0.7180468247438985
Energy: 0.9038877589033764
Energy: 0.7188160980802217
Energy: 0.9019456918100294
Energy: 0.7188160981028163
Energy: 0.9016427256925335
Energy: 0.7180727685108036
Energy: 0.9056014180153005
Energy: 0.7180727685136278
Energy: 0.724464260552934
Energy: 0.7178923623664362
Energy: 0.9026063928238194
Energy: 0.7178923623670012
Energy: 0.9012733605763171
Energy: 0.7180647551538151
Energy: 0.9048166798681839
Energy: 0.7180647551510165
Energy: 0.7183587962660163
Energy: 0.7180494994484088
Energy: 0.9069813332165183
Energy: 0.7180494994467144
Energy: 0.7177082809792974
Energy: 0.7175915205541812
Energy: 0.9033134543163885
Energy: 0.7175915205541812
Energy: 0.718854783959228
Energy: 0.7175098103731232
Energy: 0.729249485588803
Energy: 0.7175098103996463
Energy: 0.9008946558108879
Energy: 0.7184169444066717
Energy: 1.0737611302526928
Energy: 0.7184169444066717
Energy: 0.9054792031596168
Energy: 0.7561721865978572
Energy: 0.9003931837968828
Energy: 0.7561721866001168
Energy: 0.9027902730312027
Energy: 0.7567585843867946
Energy: 1.0744685501826703
Energy: 0.7567585843873593
Energy: 0.9069029782659423
Energy: 0.719566773407087
Energy: 1.0628193617375885
Energy: 0.7195667734076518
Energy: 0.9055819689001748
Energy: 0.7176912517029077
Energy: 0.7189815631456907
Energy: 0.7176912517057321
Energy: 1.0628851842189733
Energy: 0.7178514291335087
Energy: 0.718217584903903
Energy: 0.7178514291368979
Energy: 1.0737761595308926
Energy: 0.718131318936433
Energy: 0.7190117109658843
Energy: 0.7181313189375625

minimum gb energy = 0.7175098103731232 eV
minimum distance =  2.54914829341515 Angstroms
sigma value = 37


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

Energy: 1.1280851679047668
Energy: 0.6598616407511905
Energy: 0.660318786187351
Energy: 0.6598616407502186
Energy: 0.966505583366005
Energy: 0.6586196991176918
Energy: 0.6605421954766286
Energy: 0.6586196991176918
Energy: 0.8073722625405971
Energy: 0.6590677295755277
Energy: 0.6639375520853351
Energy: 0.6590677295755277
Energy: 0.8124846327014096
Energy: 0.7327327649263321
Energy: 0.6649235645774756
Energy: 0.7327327649263321
Energy: 0.9665668527568907
Energy: 0.6450862505936276
Energy: 0.8053724620233278
Energy: 0.6450862505936276
Energy: 0.8068290024368098
Energy: 0.6455526160129608
Energy: 0.8060253534421987
Energy: 0.6455526160129608
Energy: 0.808817627555967
Energy: 0.6466544754114959
Energy: 0.6494472765990822
Energy: 0.6466544754105241
Energy: 0.8090410796239185
Energy: 0.647967372887033
Energy: 0.8124657936202623
Energy: 0.6479673728860612
Energy: 0.8067273021069564
Energy: 0.6447212125221651
Energy: 0.8119900658139154
Energy: 0.6447212125221651
Energy: 0.8056662114801544
Energy: 0.6449980575751729
Energy: 0.6481335691605135
Energy: 0.6449980575751729
Energy: 0.8092522388077266
Energy: 0.8090648859204742
Energy: 1.4326100331576612
Energy: 0.8090648859204742
Energy: 0.8065164969734765
Energy: 0.6448682983316341
Energy: 0.6477353132689307
Energy: 0.6448682983306623
Energy: 0.8065334248123007
Energy: 0.6446803536925604
Energy: 0.8123696559714841
Energy: 0.6446803536925604
Energy: 0.8103220796042014
Energy: 0.7220267799258314
Energy: 0.8124464580996559
Energy: 0.7220267799248596
Energy: 0.805372462027215
Energy: 0.7203601400210702
Energy: 0.6490766689894757
Energy: 0.7203601400220421
Energy: 0.8060253534402549
Energy: 0.7202950089281981
Energy: 0.8066450066209958
Energy: 0.7202950089291698
Energy: 0.9667886337086966
Energy: 0.7202623005091872
Energy: 0.8086880064625254
Energy: 0.7202623005091872
Energy: 0.8124657945236712
Energy: 0.6600138349415263
Energy: 0.6634828111030732
Energy: 0.6600138349424981
Energy: 0.8119900658139154
Energy: 0.6589109864472938
Energy: 0.6595938849770598
Energy: 0.6589109864472938
Energy: 0.8063990918756206
Energy: 0.658930191849467
Energy: 0.6593412829111663
Energy: 0.6589301918504388

minimum gb energy = 0.6446803536925604 eV
minimum distance =  2.54721885679164 Angstroms
sigma value = 25


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

Energy: 1.1090163665902495
Energy: 0.5605697051657712
Energy: 0.5617529369897034
Energy: 0.5605697047933357
Energy: 1.0587483215004452
Energy: 0.5581533155450314
Energy: 0.8067571090677803
Energy: 0.5581533155450314
Energy: 1.0517825817712139
Energy: 0.5584823254006986
Energy: 0.8084429676964678
Energy: 0.5584823254014577
Energy: 1.0519554263336042
Energy: 0.5592266888420644
Energy: 0.809425806019338
Energy: 0.5592266888367523
Energy: 1.0571558920109014
Energy: 0.6205311323714512
Energy: 1.0577875717343337
Energy: 0.6205311323752284
Energy: 1.054223092133812
Energy: 0.6194250833699766
Energy: 1.0578583859106034
Energy: 0.6194250833692178
Energy: 1.0568443700062906
Energy: 0.6205339210289885
Energy: 1.0572751650437915
Energy: 0.6205339210289885
Energy: 0.8092356670482375
Energy: 0.5590177529534884
Energy: 1.056921521687649
Energy: 0.5590177529550061
Energy: 0.8090406154581343
Energy: 0.5588580376362309
Energy: 1.059499437231844
Energy: 0.5588580376362309
Energy: 0.8069039242533382
Energy: 0.5582084207147383
Energy: 1.0591636156644921
Energy: 0.5582084207147383
Energy: 0.5616804424727035
Energy: 0.5598449046491765
Energy: 1.4765140013913018
Energy: 0.5598449046484177
Energy: 0.5584996691742335
Energy: 0.5583877036612095
Energy: 1.0590872284489978
Energy: 0.5583877036619682
Energy: 0.5593135388359959
Energy: 0.5590250617833633
Energy: 1.0526465970270957
Energy: 0.5590250617833633
Energy: 0.5605968431773627
Energy: 0.5593998784638387
Energy: 1.0520298341021463
Energy: 0.5593998784638387
Energy: 0.8090847225827779
Energy: 0.5585315516064616
Energy: 1.0573583225942085
Energy: 0.5585315516064616
Energy: 0.8065553048356637
Energy: 0.5582458794168104
Energy: 1.051779244392082
Energy: 0.5582458794168104
Energy: 1.0575217942004114
Energy: 0.5593907747076194
Energy: 1.0518721763326295
Energy: 0.5593907747076194
Energy: 0.8101851442532553
Energy: 0.6194709092067922
Energy: 1.0564054933989613
Energy: 0.6194709092067922
Energy: 1.0606515893342257
Energy: 0.6198978211336746
Energy: 1.055832922087021
Energy: 0.6198978211329157
Energy: 1.0588526668739795
Energy: 0.6198991225152878
Energy: 1.0542510315772031
Energy: 0.6198991225152878
Energy: 1.0567382529578437
Energy: 0.559809018201369
Energy: 0.8087610361911657
Energy: 0.5598090181937803
Energy: 1.0587259042377792
Energy: 0.5579620587799227
Energy: 0.5588638664114007
Energy: 0.5579620587814405
Energy: 1.058979619351075
Energy: 0.5590011331831558
Energy: 0.8060087187651778
Energy: 0.5590011331846736
Energy: 1.0575143736534893
Energy: 0.559482131632061
Energy: 0.5602319365016276
Energy: 0.559482131631302
Energy: 1.0573982887551805
Energy: 0.5585267987614952
Energy: 0.5587033002906717
Energy: 0.5585267987607362
Energy: 1.0523055980408191
Energy: 0.5586233907536754
Energy: 0.5591579337805443
Energy: 0.5586233907544342

minimum gb energy = 0.5579620587799227 eV
minimum distance =  2.56079293408026 Angstroms
sigma value = 41


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

Energy: 1.343333287133743
Energy: 0.4983514900865109
Energy: 0.7357437696508223
Energy: 0.4983514897314308
Energy: 1.3085659316194058
Energy: 0.49649705497369234
Energy: 0.7062006844967533
Energy: 0.49649705497369234
Energy: 1.3029940890146265
Energy: 0.49572349595529297
Energy: 0.7075869392934315
Energy: 0.49572349595467086
Energy: 1.3018043741543484
Energy: 0.496051613530296
Energy: 0.7105657029240279
Energy: 0.49605161353091815
Energy: 1.306716404824245
Energy: 0.4952635573818125
Energy: 1.113831889879885
Energy: 0.49526355738305683
Energy: 1.3065981525146586
Energy: 0.49652325055057916
Energy: 1.1112478108065125
Energy: 0.49652325055368984
Energy: 1.3095177955899007
Energy: 0.547802434960138
Energy: 1.3067254227725154
Energy: 0.5478024349620045
Energy: 1.1140553972419533
Energy: 0.5469701597583645
Energy: 1.115492112493135
Energy: 0.5469701597577424
Energy: 0.9162980214503188
Energy: 0.7168870380595239
Energy: 1.3098655365297185
Energy: 0.7168870380589017
Energy: 0.9150257599563935
Energy: 0.4956031020567863
Energy: 1.3082289668537086
Energy: 0.4956031020580306
Energy: 0.7082784523758291
Energy: 0.49690957674508224
Energy: 1.3048817854600747
Energy: 0.49690957674259356
Energy: 0.7079341162886855
Energy: 0.4957337457580347
Energy: 1.3081066033147448
Energy: 0.49573374575927903
Energy: 0.7074088611393687
Energy: 0.4956166099422672
Energy: 1.3086781645053653
Energy: 0.4956166099422672
Energy: 0.49770437007172724
Energy: 0.49620167778096197
Energy: 1.3048388479666055
Energy: 0.4962016777803398
Energy: 0.4971357477957436
Energy: 0.49674619180151874
Energy: 1.30651428265777
Energy: 0.4967461918008966
Energy: 0.4973477405926612
Energy: 0.49627684924194726
Energy: 1.3022359255468403
Energy: 0.4962768492413251
Energy: 0.7072169905287227
Energy: 0.4962443595328516
Energy: 1.30221557893
Energy: 0.4962443595334737
Energy: 0.7086310349288245
Energy: 0.49611308300482343
Energy: 1.3063998291154262
Energy: 0.49611308300606777
Energy: 0.7070075696505936
Energy: 0.4960201972337958
Energy: 1.3077614427617066
Energy: 0.4960201972337958
Energy: 1.109849430511743
Energy: 0.49635740734004996
Energy: 1.3064978093132145
Energy: 0.49635740733942774
Energy: 1.1098567316176422
Energy: 0.49608165714135444
Energy: 1.306260967027333
Energy: 0.49608165714384295
Energy: 1.1102758286794632
Energy: 0.5465843236579736
Energy: 1.3022776795535285
Energy: 0.5465843236585958
Energy: 1.3108398069845442
Energy: 0.5466121968063029
Energy: 1.3047367672947219
Energy: 0.5466121968106581
Energy: 1.1153576349645355
Energy: 0.545838115465613
Energy: 1.109763141133918
Energy: 0.545838115464991
Energy: 1.3064671392193068
Energy: 0.49720233547215065
Energy: 0.9205949304765606
Energy: 0.4972023354727728
Energy: 1.3056907263452149
Energy: 0.4961506153801026
Energy: 1.1092335770286184
Energy: 0.4961506153801026
Energy: 1.305583651864191
Energy: 0.4961052690080583
Energy: 0.7069567128486187
Energy: 0.4961052690093027
Energy: 1.3057280958565198
Energy: 0.49627541747688514
Energy: 0.7088871286465723
Energy: 0.4962754172374408
Energy: 1.3050272205555775
Energy: 0.4960194925497183
Energy: 0.7067952259071278
Energy: 0.4960194925503405
Energy: 1.3079770551193317
Energy: 0.49589703291327797
Energy: 0.4973632971244136
Energy: 0.49589703291141163
Energy: 1.3069637066231412
Energy: 0.49657852091266264
Energy: 0.49692473862227143
Energy: 0.49657852091266264
Energy: 1.302264253110272
Energy: 0.49610772358104366
Energy: 0.4983398371573984
Energy: 0.4961077235822879

minimum gb energy = 0.4952635573818125 eV
minimum distance =  2.56592773219508 Angstroms
sigma value = 15


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

Energy: 1.489455927512395
Energy: 0.4506537068793589
Energy: 0.6952427598602823
Energy: 0.45065414281294075
Energy: 1.4820337229815743
Energy: 0.4492681973844769
Energy: 0.6300000574677332
Energy: 0.4492681973850039
Energy: 1.4855054100736522
Energy: 0.44906092058642955
Energy: 0.6303208509121042
Energy: 0.4490609205880107
Energy: 1.4857252942802686
Energy: 0.44946773901990045
Energy: 0.8193813099201546
Energy: 0.4494677390141028
Energy: 1.4802017558094527
Energy: 0.44825497332765935
Energy: 0.9829449521739566
Energy: 0.44825497332765935
Energy: 1.481335137166999
Energy: 0.4492437591194157
Energy: 0.9790304257811998
Energy: 0.44924375911783454
Energy: 1.1504729680160284
Energy: 0.44918708898734117
Energy: 1.3121738790756172
Energy: 0.44918708898734117
Energy: 1.316204408284099
Energy: 0.49425614803428936
Energy: 0.9847078222550096
Energy: 0.49425614803218126
Energy: 1.1498235142065982
Energy: 0.4924687860311924
Energy: 1.312419500057727
Energy: 0.4924687860301383
Energy: 1.148806126798381
Energy: 0.4922697057509379
Energy: 1.4821125704201472
Energy: 0.4922697057403969
Energy: 0.9825091256247609
Energy: 0.4488796646543704
Energy: 1.3218424814187102
Energy: 0.4488796646543704
Energy: 0.8135352921286789
Energy: 0.44834889270995953
Energy: 1.4816136115412413
Energy: 0.44834889272838235
Energy: 0.9798505602874047
Energy: 0.4484892925957041
Energy: 1.4827683034160482
Energy: 0.4484892925957041
Energy: 0.6321195035508351
Energy: 0.4492312885442494
Energy: 1.3194966956644874
Energy: 0.4492312885437223
Energy: 0.6320058906559921
Energy: 0.44878047914303715
Energy: 1.480061697192944
Energy: 0.44878047914303715
Energy: 0.6325441003134051
Energy: 0.44870455479571636
Energy: 1.4825407508624469
Energy: 0.44870455479571636
Energy: 0.45125512880788377
Energy: 0.4489889369010846
Energy: 1.4770798664141351
Energy: 0.4489889369016116
Energy: 0.44973892356087236
Energy: 0.44867718568781656
Energy: 1.4790829764100675
Energy: 0.4486771856867625
Energy: 0.45072617839352697
Energy: 0.4491819775514023
Energy: 1.4820864323117646
Energy: 0.4491819775524564
Energy: 0.632060667063981
Energy: 0.44890252764023236
Energy: 1.475676579587455
Energy: 0.44890252764023236
Energy: 0.6327853883309827
Energy: 0.44880026054458283
Energy: 1.4787917868888463
Energy: 0.4488002605435288
Energy: 0.6315557837343176
Energy: 0.44908215645000504
Energy: 1.4851221622809874
Energy: 0.44908215645105914
Energy: 0.9787210595482807
Energy: 0.4488462701543036
Energy: 1.4786758786093699
Energy: 0.44884627018276446
Energy: 0.9833071236438884
Energy: 0.4483222000062267
Energy: 1.4812025436538325
Energy: 0.4483222000025373
Energy: 0.9831597484729085
Energy: 0.44896388519546726
Energy: 1.1540306598316439
Energy: 0.44896388519494024
Energy: 1.3157266753993693
Energy: 0.4921992465174531
Energy: 1.4833925468136286
Energy: 0.4921992465169261
Energy: 0.9816807263814906
Energy: 0.4926555389021112
Energy: 1.3129792753449083
Energy: 0.4926555389021112
Energy: 1.315615044888811
Energy: 0.4946431721660537
Energy: 1.1545566348992673
Energy: 0.4946431721681619
Energy: 1.3162226568667696
Energy: 0.4490390424653967
Energy: 1.3118165033251639
Energy: 0.44903904246592374
Energy: 1.3148742316302409
Energy: 0.448589008967868
Energy: 0.9798566683730684
Energy: 0.44858900897050336
Energy: 1.479894746396927
Energy: 0.4483026088005645
Energy: 0.8129713369185199
Energy: 0.44830260880478084
Energy: 1.3189598527360604
Energy: 0.44910373231425127
Energy: 0.9827513519480593
Energy: 0.4491037323131972
Energy: 1.4826251380307134
Energy: 0.44915707291270723
Energy: 0.6309128879294932
Energy: 0.44915707291218016
Energy: 1.4811269370048776
Energy: 0.4488888973000114
Energy: 0.6308564856820134
Energy: 0.4488888973000114
Energy: 1.4768128576247916
Energy: 0.44963329811312197
Energy: 0.4528883210099866
Energy: 0.44963329811417607
Energy: 1.480316231845211
Energy: 0.4489891155517369
Energy: 0.4498133372821401
Energy: 0.4489891155512098
Energy: 1.484966633002086
Energy: 0.44903752109911177
Energy: 0.4502211404929734
Energy: 0.44903752109594947

minimum gb energy = 0.44825497332765935 eV
minimum distance =  2.56625604049561 Angstroms
sigma value = 85


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

Energy: 1.625856787784984
Energy: 0.4019046665054619
Energy: 0.2332688856049369
Energy: 0.4019046669760803
Energy: 1.599597758887698
Energy: 0.4002821893576068
Energy: 0.5608827287936493
Energy: 0.4002821893576068
Energy: 1.5941425655133383
Energy: 0.4000902040841979
Energy: 0.5609660019054136
Energy: 0.4000902040819123
Energy: 1.3769775416615642
Energy: 0.40152603807463594
Energy: 0.8693327495041276
Energy: 0.401526038075093
Energy: 1.5979420905151223
Energy: 0.3997249601801152
Energy: 0.871475636631928
Energy: 0.3997249601796581
Energy: 1.3810360412067049
Energy: 0.40067293972179613
Energy: 0.8693028206727793
Energy: 0.40067293972225326
Energy: 1.3782074993852478
Energy: 0.4006714383473362
Energy: 1.164981776248253
Energy: 0.40067143833819396
Energy: 1.4561974884242863
Energy: 0.39994833551980713
Energy: 0.9403388932368483
Energy: 0.39994833552300685
Energy: 1.3793703208858246
Energy: 0.4002690022537969
Energy: 1.1631178617393416
Energy: 0.40026900224238987
Energy: 1.3794149560368434
Energy: 0.4800838629142398
Energy: 1.4513428290190096
Energy: 0.48008386291378274
Energy: 1.1672320975400556
Energy: 0.39827226232375906
Energy: 1.2341753017823422
Energy: 0.3982722623347298
Energy: 1.0886798887046116
Energy: 0.39867893563954027
Energy: 1.451237714431052
Energy: 0.3986789356381689
Energy: 1.1643168470496879
Energy: 0.3985542149548227
Energy: 1.5242228311452746
Energy: 0.3985542149575654
Energy: 0.8732688388123862
Energy: 0.3991129457928021
Energy: 1.232723015528068
Energy: 0.3991129457946305
Energy: 0.7932806588665045
Energy: 0.3988336841496829
Energy: 1.527731300079833
Energy: 0.39883368415105425
Energy: 0.8708693770168737
Energy: 0.3986095236662793
Energy: 1.5207483142528149
Energy: 0.3986095236658222
Energy: 0.558633854160911
Energy: 0.398648939589475
Energy: 1.5206831814566406
Energy: 0.3986489395899322
Energy: 0.5578467223654278
Energy: 0.3978397411955998
Energy: 1.5950200007620756
Energy: 0.3978397411960569
Energy: 0.5576932977390455
Energy: 0.3985892031581839
Energy: 1.593473182133888
Energy: 0.39858920316001234
Energy: 0.4802884953931695
Energy: 0.39821870109619023
Energy: 1.5935130691680737
Energy: 0.3982187010957331
Energy: 0.479935100511132
Energy: 0.3977405969901237
Energy: 1.594160242125429
Energy: 0.3977405969901237
Energy: 0.4822876846853972
Energy: 0.3992055124375372
Energy: 1.5911029206499157
Energy: 0.39920551243799435
Energy: 0.640676847796721
Energy: 0.3980754249403728
Energy: 1.5926583133448826
Energy: 0.3980754249399157
Energy: 0.6418555697867029
Energy: 0.39767604408555013
Energy: 1.5940531616625984
Energy: 0.39767604408463597
Energy: 0.6401473379367842
Energy: 0.4008487600500075
Energy: 1.3769805544780387
Energy: 0.4008487600500075
Energy: 0.8645872492717965
Energy: 0.39806328101321775
Energy: 1.5958724093172927
Energy: 0.39806328101367494
Energy: 0.86617290315241
Energy: 0.39773737602795267
Energy: 1.5976301615048214
Energy: 0.39773737602886694
Energy: 0.8649335158582404
Energy: 0.3988433606968852
Energy: 1.3782644153759958
Energy: 0.39884336062696774
Energy: 1.1638970841510654
Energy: 0.39774672859732263
Energy: 1.5937773180207755
Energy: 0.3977467285813237
Energy: 1.1655553605911506
Energy: 0.3976639981728585
Energy: 1.3814687032568782
Energy: 0.39766399781371337
Energy: 1.3122068038722405
Energy: 0.6034772346504912
Energy: 1.0869998084910735
Energy: 0.6034772346491197
Energy: 1.2339753096864228
Energy: 0.5515984662244061
Energy: 1.3836666959197939
Energy: 0.5515984662239489
Energy: 1.4548984499006479
Energy: 0.5525176860142418
Energy: 1.0903573979726606
Energy: 0.5525176860174417
Energy: 1.5991279695238536
Energy: 0.39980213330190023
Energy: 1.0917206266295878
Energy: 0.39980213329870046
Energy: 1.232644380317836
Energy: 0.4007665616567564
Energy: 0.8690932727123409
Energy: 0.4007665616581278
Energy: 1.6004352483115902
Energy: 0.39984345968685286
Energy: 0.8708205370435136
Energy: 0.3998434596891385
Energy: 1.59511578089708
Energy: 0.39984462038253465
Energy: 0.8689813441301895
Energy: 0.39984462038390606
Energy: 1.520757569895629
Energy: 0.4022192760856928
Energy: 0.5627178034210781
Energy: 0.40221927608614993
Energy: 1.598864176288909
Energy: 0.39976696953735397
Energy: 0.5626399269639026
Energy: 0.3997669695382681
Energy: 1.5937186777387715
Energy: 0.4007022190467458
Energy: 0.5623857686475696
Energy: 0.4007022190472029
Energy: 1.5194358785806574
Energy: 0.4015296790264502
Energy: 0.4016313728172651
Energy: 0.4015296790264502
Energy: 1.5973328005017087
Energy: 0.39988645022084407
Energy: 0.40027929352193
Energy: 0.39988645022084407
Energy: 1.5931736900623872
Energy: 0.4010020341776355
Energy: 0.40149273194120977
Energy: 0.40100203417672137

minimum gb energy = 0.2332688856049369 eV
minimum distance =  2.5588542005354 Angstroms
sigma value = 113


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

Energy: 0.009336322320873676
Energy: 0.3483129593703216
Energy: 1.4438149713322037
Energy: 0.3483129593713367
Energy: 1.1623954430012842
Energy: 0.09363593094627319
Energy: 1.1659729295402992
Energy: 0.09363593094558989
Energy: 0.009814329374711182
Energy: 0.09244200039330513
Energy: 1.1660462697765457
Energy: 0.09244200039262185
Energy: 0.010648433707431768
Energy: 0.09364134985662227
Energy: 1.170982599121444
Energy: 0.09364134985629038
Energy: 1.1691496766801601
Energy: 0.09291992292099686
Energy: 1.1678924217333728
Energy: 0.09291992292099686
Energy: 0.009755689770469351
Energy: 0.0924266460989135
Energy: 1.1654022824860277
Energy: 0.09242664609823022

minimum gb energy = 0.009336322320873676 eV
minimum distance =  2.83158452832275 Angstroms
sigma value = 1