Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.606302589178085
cohesive_energy=4.204648203132152
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.00433899090034e-19, 2.77347990581838e-19, 3.36074172924474e-19, 3.8402251305019195e-19, 4.2450951659137193e-19, 4.593392344378979e-19, 4.896668359428839e-19, 5.16259763714016e-19, 5.397012100460699e-19, 5.603997299807159e-19, 5.786821675512899e-19, 5.9482409713884e-19, 6.09025790822616e-19, 6.214618858557239e-19, 6.3230701949127e-19, 6.416749462702679e-19, 6.496633989673919e-19, 6.563653038274139e-19, 6.618639740353019e-19, 6.66231507539586e-19, 6.69531991405626e-19, 6.7182470616887995e-19, 6.73165728011538e-19, 6.736063265858879e-19, 6.731304801255899e-19, 6.71593992733584e-19, 6.687997966838879e-19, 6.645235872477421e-19, 6.58483381337562e-19, 6.503443240368419e-19, 6.39715484246886e-19, 6.261081980943239e-19, 6.089136384582359e-19, 5.873996106168839e-19, 5.60651271712254e-19, 5.275230654510359e-19, 4.8660507639531e-19, 4.3603076876646605e-19, 3.73454555972328e-19, 2.95813076288688e-19, 1.9907685548103598e-19, 7.785216591101099e-20, -7.517060287868519e-20, -2.7011416307932797e-19, -5.21218500396246e-19, -8.4910875507424795e-19, -1.2843448442302499e-18, -1.8740660087897998e-18, -2.6934992482490997e-18, -3.86863172222274e-18, -5.62391235536778e-18, -8.391223881145259e-18]
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: 0.019955776600870962
Energy: 1.1650367382265958
Energy: 0.6095994071326184
Energy: 1.61640264075136
Energy: 1.6072928264811224
Energy: 0.5612533522527361
Energy: 0.02049733740350754
Energy: 0.12619859847039144
Energy: 1.1555070677218928
Energy: 0.12647389971180778
Energy: 0.304709229703938
Energy: 1.14638259157067
Energy: 0.022684633229914312
Energy: 0.1289684504402585
Energy: 0.020476990301624517
Energy: 1.1567369755539378
Energy: 0.3038613352288493
Energy: 0.3037362757184868
Energy: 1.148432757571425
Energy: 0.1264012356920462
Energy: 0.12890577716771903
Energy: 0.023816184665693303
Energy: 1.1621496724150613
Energy: 0.3040985581989838
Energy: 1.148823346284556
Energy: 1.1561542431973535
Energy: 0.12694139723055736
Energy: 0.021889203437000175
Energy: 0.12695212702696712
Energy: 1.1551332428689196
Energy: 0.12697954574418363
Energy: 0.3050706771724764
Energy: 1.146428623480278
Energy: 0.021757956105755424
Energy: 0.12963160314122654
Energy: 0.020476561321203044
Energy: 1.1526784033435034
Energy: 0.3040209129612269
Energy: 0.30380339215505214
Energy: 1.1515620590123627
Energy: 0.12606357942525784
Energy: 0.12869282546033622

minimum gb energy = 0.019955776600870962 eV
minimum distance =  2.52452981265509 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.8869059509382533
Energy: 1.8375274256495562
Energy: 2.025664557077221
Energy: 1.894384805843374
Energy: 2.0677378546097054
Energy: 1.992212526030727
Energy: 1.9009760119161005
Energy: 1.8340256472054042
Energy: 1.9913482165395502
Energy: 1.8797372392629135
Energy: 2.0694627328217106
Energy: 1.91046542846283
Energy: 1.8951726318232895
Energy: 1.9904140361008487
Energy: 1.8567312758264645
Energy: 1.9833602133362842
Energy: 1.948764247552185
Energy: 1.953031027826916
Energy: 1.9328035405998727
Energy: 1.987170963675358
Energy: 1.9388700979669924
Energy: 1.8584158405525493
Energy: 2.0535340954157357
Energy: 1.877082995244018
Energy: 1.9260937828386315
Energy: 1.884468251074792
Energy: 1.8599901791953413
Energy: 1.9549181214408824
Energy: 1.8667178327640033
Energy: 1.906737181054777
Energy: 1.8844400583614833
Energy: 1.9014366805906804
Energy: 1.9959616830758062
Energy: 1.8914977278831204
Energy: 1.9230808114535034
Energy: 1.9713239866479966
Energy: 1.9812739094387941
Energy: 1.861348104292611
Energy: 1.9578466805553674
Energy: 1.9325492084956801
Energy: 2.027379519187555
Energy: 2.0935617277589524
Energy: 1.877015487016382
Energy: 1.974115812906807
Energy: 1.895988345910023
Energy: 1.850705847146203
Energy: 1.8671078919819013
Energy: 1.971791614927125
Energy: 1.932872275788205
Energy: 1.9377600864642512
Energy: 1.8979925421744486
Energy: 1.9646587427612063
Energy: 1.9869631961714338
Energy: 1.9281156705462381
Energy: 1.9223748488380488
Energy: 1.9966826910163364
Energy: 1.9027938278371643
Energy: 1.9473543406558784
Energy: 1.8769127600205415
Energy: 1.8766483297704908
Energy: 2.118768652222518
Energy: 1.9138001928207269
Energy: 1.989716702809417
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Energy: 1.901338711282551
Energy: 1.9125888734245096
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Energy: 1.8962475143400315
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Energy: 2.098826978515396
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Energy: 1.8878255917178997
Energy: 1.870020411766073
Energy: 1.9693679888273918
Energy: 1.8883731625400695
Energy: 1.8678553754693596
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Energy: 1.8969637973085736
Energy: 1.9313949655182545
Energy: 2.0019267791969027
Energy: 1.9175421504695516
Energy: 1.9010335273098249
Energy: 2.0328589216594466
Energy: 1.952919108770135
Energy: 1.9100685206722174
Energy: 1.9157981242374553
Energy: 1.8756568650374497
Energy: 2.046102632514443
Energy: 1.871100055244613
Energy: 1.9876614987460608
Energy: 1.9939406283312644
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Energy: 1.8537964952870498
Energy: 1.8962661673100583
Energy: 1.8983080892728958
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Energy: 1.9270592362431012
Energy: 2.046874457595017
Energy: 1.91268449096495
Energy: 1.8691524595833173
Energy: 1.9708927191646928
Energy: 1.8634254978982394
Energy: 1.8810173627239397
Energy: 1.925884835919885
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Energy: 1.95829005660961
Energy: 1.9264287709767487
Energy: 1.8504374862784954
Energy: 1.8789927385178034
Energy: 1.8475906485527183
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Energy: 2.0564322155650845
Energy: 1.8375339636115084
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Energy: 1.8712084351659406
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Energy: 1.8836908676465307
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Energy: 1.9388582601007203
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Energy: 1.873125607671253
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Energy: 1.8734322941692572
Energy: 1.846728915917471
Energy: 1.8641043388824317
Energy: 1.870646633741224
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Energy: 1.846084111957934
Energy: 1.9725572928839057
Energy: 1.9231167818822565
Energy: 1.9659475050568607
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Energy: 1.913838257911064
Energy: 2.01698067085418
Energy: 1.878295939240803
Energy: 1.9263919814456367
Energy: 1.9178038806711288
Energy: 1.8287126379282272
Energy: 2.0422484374466436
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Energy: 1.8816014347457184
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Energy: 1.9070014965761577
Energy: 2.059556328640037
Energy: 1.9859261303384539
Energy: 1.935384787559773
Energy: 1.8334008367767745
Energy: 1.982670671441173
Energy: 1.8575333669882674
Energy: 2.064685509428272
Energy: 1.9365911613204647
Energy: 1.858030993361849
Energy: 1.9609816050158149
Energy: 1.8669979921059483
Energy: 1.9872554220683865
Energy: 1.97717732603078
Energy: 1.9534309622881
Energy: 1.9514903123710938
Energy: 1.9831331155759035
Energy: 1.9810862704258438
Energy: 1.8543433180852666
Energy: 1.9758075345911927
Energy: 1.8860351078099102
Energy: 1.9513984684334615
Energy: 1.9028378457501116
Energy: 1.910761630358769
Energy: 1.929742080936802
Energy: 1.9491491429594023
Energy: 1.965008003712272
Energy: 1.8844686337495562
Energy: 1.8995818716723487
Energy: 1.8613668446430225
Energy: 1.8889508661619372
Energy: 1.9524602493821441
Energy: 1.950762223456909
Energy: 1.978794644258642
Energy: 1.8849961870522882
Energy: 1.9555189511613185
Energy: 1.8628931466105243
Energy: 1.892042039144586
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Energy: 1.863033809487759
Energy: 1.9189832977345407
Energy: 1.9102541901401549
Energy: 2.025580042474554
Energy: 1.9264253651680352
Energy: 1.9651509482702532
Energy: 1.9334384911144038
Energy: 1.848603364022865
Energy: 1.98017350370425
Energy: 1.860398047106499
Energy: 1.9494952975276223
Energy: 1.9010767035162541
Energy: 1.9815428730924063
Energy: 1.9266602758052707
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Energy: 1.8768778850651657
Energy: 1.9183935018131455
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Energy: 1.8754200837326949
Energy: 1.9632002470946899
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Energy: 1.8915445267018431
Energy: 1.995481944598391
Energy: 2.053765844072677
Energy: 1.9374479780505665
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Energy: 1.9070843004005156
Energy: 1.8745846657644294
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Energy: 1.8329709881626943
Energy: 1.945180112300124
Energy: 2.016273188563623
Energy: 2.01413202918008
Energy: 1.8484103606307425
Energy: 1.98836078796444
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Energy: 1.8716161926644954
Energy: 1.8560817230616498
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Energy: 1.8678355656474845
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Energy: 1.8916640335394155
Energy: 1.9033736198964473
Energy: 1.840013641543721
Energy: 1.8944992822746267
Energy: 2.0435948609991144
Energy: 1.9008617264720995
Energy: 1.9923686462344874
Energy: 1.9959949021711278
Energy: 1.928893479079953
Energy: 2.0166298755880283
Energy: 1.894101671271224
Energy: 1.8757292083567412
Energy: 1.8835566619834756
Energy: 1.8841703369747624
Energy: 1.9625542825372921
Energy: 1.901347231904361
Energy: 1.8865776889459496
Energy: 1.9682682824101398
Energy: 1.8359248355369802
Energy: 1.967271442704937
Energy: 1.8950840972388712
Energy: 1.9692949850016106
Energy: 1.949348234437141
Energy: 1.898676349239146
Energy: 1.848726140097382
Energy: 1.9042260887701552
Energy: 1.8496348795692878
Energy: 1.9571810581240403
Energy: 1.926172864826397
Energy: 1.9322261964559782
Energy: 2.0125543074172834
Energy: 1.8779988657217108
Energy: 1.921126347088851
Energy: 1.8350943214298878
Energy: 1.9728397569334502
Energy: 1.975345847012075
Energy: 1.8753701393784359
Energy: 1.8809956154684075
Energy: 1.8829497479027042
Energy: 1.8600801020348252
Energy: 1.9394261140039246
Energy: 1.9070442568837953
Energy: 1.9917823636108145
Energy: 1.944996654707302
Energy: 1.848423222256046
Energy: 1.8703563859276493
Energy: 2.0464183818993154
Energy: 1.8387107227088777
Energy: 1.9731451632762464
Energy: 1.8716825052758066
Energy: 1.8565670458938632
Energy: 1.9285925920004332
Energy: 1.829929944818266
Energy: 1.9750724348756838
Energy: 1.9223576232053665
Energy: 2.013153050110214
Energy: 2.133855432273669
Energy: 1.86283844379967
Energy: 1.9647836253907893
Energy: 1.9147248304948712
Energy: 1.8918270371684398
Energy: 1.8900057103238126
Energy: 1.8981906399025557
Energy: 1.947543307333084
Energy: 1.8303356578892722
Energy: 1.944771698312401
Energy: 1.8833563557506812
Energy: 1.9033114029618396
Energy: 1.8406013129563585
Energy: 1.8922861083235643
Energy: 2.0901358660931697
Energy: 1.9939058004927546
Energy: 1.9339107266560338

minimum gb energy = 1.8287126379282272 eV
minimum distance =  2.26195914254695 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.121423384832891
Energy: 1.886810119555741
Energy: 1.9262129915101038
Energy: 1.9389342071662283
Energy: 2.092517344468818
Energy: 1.9622766348860257
Energy: 1.9099450791360257
Energy: 1.897295916946399
Energy: 1.895614000695144
Energy: 1.9640131061316564
Energy: 2.041398743451105
Energy: 1.8438196626116758
Energy: 1.9227883984150056
Energy: 1.98852719053705
Energy: 1.888688054978169
Energy: 1.9217631973351323
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Energy: 1.8707870472828125
Energy: 2.0178699465866954
Energy: 1.9897335802505107
Energy: 1.990407586156945
Energy: 2.0772132067309244
Energy: 1.9401692475050991
Energy: 2.006998393699271
Energy: 1.877151126087824
Energy: 1.9285888976784227
Energy: 2.015149291560466
Energy: 2.0101866762449445
Energy: 1.917553396744796
Energy: 1.8792472119697317
Energy: 1.9036332077040512
Energy: 1.840963638147844
Energy: 2.0135559783828803
Energy: 2.003833308934784
Energy: 1.9810931241230738
Energy: 1.9345325322455231
Energy: 1.9108440528709778
Energy: 1.9023762467294778
Energy: 1.8768720330288222
Energy: 1.942877124310543
Energy: 2.1801104712726134
Energy: 1.9155274959283846
Energy: 1.9319510033559975
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Energy: 1.833410079719837
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Energy: 1.9516816475567194
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Energy: 2.036133338284523
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Energy: 1.9051610563072499
Energy: 1.854318936209675
Energy: 1.842607663094854
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Energy: 1.950299222627402
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Energy: 1.8576616891005182
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Energy: 1.8633897766048397
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Energy: 1.9186489194854706
Energy: 1.9207504709983925
Energy: 1.875887032373781
Energy: 1.873134605075073
Energy: 1.8633457390566004
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Energy: 1.9338115543931969
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Energy: 1.922054906172257
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Energy: 1.9254490732103653
Energy: 1.8615303293074728
Energy: 1.9250572196699651
Energy: 1.9247293008177029
Energy: 1.910420805030161
Energy: 1.9323876243646168
Energy: 1.9392390893300016
Energy: 1.9231615234490933
Energy: 1.8661083917836465
Energy: 1.9529046281891653
Energy: 1.9474224268028946
Energy: 1.918647025480628
Energy: 1.9973630696893305
Energy: 1.903173755327561
Energy: 1.9079134617510871
Energy: 1.9243118432943034
Energy: 1.9478531756431368
Energy: 1.9394399927760315
Energy: 1.858129969677736
Energy: 1.894196363886546
Energy: 1.9775782787222538
Energy: 1.975695056970107
Energy: 2.005174627540699
Energy: 1.9769174689585274
Energy: 1.9242419805519164
Energy: 1.873461430859845
Energy: 1.8309184073117994
Energy: 1.9456819225570259
Energy: 2.1496554698416253
Energy: 2.075445183949681
Energy: 1.955168811873823
Energy: 1.9211044165237123
Energy: 1.8639546726778038
Energy: 1.8406813705014398
Energy: 1.9288268003647562
Energy: 1.9611101590576039
Energy: 1.9480766844041078
Energy: 2.047504012201438
Energy: 1.92948959560194
Energy: 1.8750520086192681
Energy: 1.8263097681484457
Energy: 1.9279722725505635
Energy: 1.9801007508567996
Energy: 2.0306152851656902
Energy: 2.068836391426176
Energy: 1.9308586036162245
Energy: 1.8799677376268868
Energy: 1.8303187488650723
Energy: 2.0293712548092513
Energy: 1.9538769887152188
Energy: 1.8855433753394764
Energy: 1.942791061645895
Energy: 1.9997426691859415
Energy: 1.9598388306278036
Energy: 1.8761803500198297
Energy: 1.9842156651838945
Energy: 1.9585130528662145
Energy: 1.9239925272887994
Energy: 1.9534390460690632
Energy: 1.9486294364643537
Energy: 1.9183737340989282
Energy: 1.933052713142422
Energy: 1.8943359185973432
Energy: 1.9249114259425186
Energy: 1.877488354378931
Energy: 1.9150218374867183
Energy: 2.002417851231354
Energy: 1.97552802069984
Energy: 1.9592007640344682
Energy: 1.9554135124499872
Energy: 1.9417803516747343
Energy: 1.8760000522623514
Energy: 1.9368629573473854
Energy: 1.992773853086175
Energy: 1.8914072979571213
Energy: 1.9208774944706015
Energy: 1.9236338308224983
Energy: 1.941933068128634
Energy: 1.9014298702228234
Energy: 1.9581734303864053
Energy: 1.9453023654372852
Energy: 1.9425311220740549
Energy: 2.0026817673308757
Energy: 1.928550138471947
Energy: 1.9897756130816082
Energy: 1.9248394178099446
Energy: 1.9420710345928833
Energy: 1.8925423191582387
Energy: 1.9236282167750145
Energy: 1.8903579766792986
Energy: 1.8989869606475158
Energy: 2.019324930347576
Energy: 1.8626151653311236
Energy: 1.927291214488434
Energy: 1.9073047708106157
Energy: 1.9297161676600203
Energy: 1.8814683762681268
Energy: 1.932863858450484
Energy: 2.2653868447940795
Energy: 2.0308490543492823
Energy: 2.0025259247526717
Energy: 1.934071273357636
Energy: 1.9317031147482906
Energy: 1.836006602903357
Energy: 2.020064407208663
Energy: 1.9716626932045633
Energy: 1.8370097435579658
Energy: 2.056619353149433
Energy: 1.9116410576989344
Energy: 1.925851550518931
Energy: 1.8400910923768976
Energy: 1.9221431755581748
Energy: 2.0037145770599665
Energy: 1.9391057249699626
Energy: 1.9890269742030848
Energy: 1.8932830706398913
Energy: 1.927419881356171
Energy: 1.83219485900537
Energy: 2.006111303647687
Energy: 2.03463874343823
Energy: 1.8857007746557362
Energy: 1.9341324396358202
Energy: 1.979002986422393
Energy: 1.8873941669931715
Energy: 1.9124386052597466
Energy: 1.987098667748966
Energy: 1.9974455744044255
Energy: 1.907566145345508
Energy: 1.919676689988195
Energy: 1.9331040815768832
Energy: 1.8723928814824677
Energy: 1.9372269746753301
Energy: 1.911965307324735
Energy: 1.9696637204172085
Energy: 1.8903109160134992
Energy: 1.8946964289052048
Energy: 1.919182007804895
Energy: 2.039549680820525
Energy: 1.8412839597100759
Energy: 1.888747383668247
Energy: 1.9481713282132607

minimum gb energy = 1.8238168680113436 eV
minimum distance =  2.26895302471975 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.9313915523091005
Energy: 1.9784852785857592
Energy: 1.9798408521733075
Energy: 1.9769432933296691
Energy: 1.9089018592635245
Energy: 1.9280042055754476
Energy: 2.02266620940593
Energy: 1.9802499084450735
Energy: 1.9401187838219929
Energy: 1.9728226291945594
Energy: 1.991052187988479
Energy: 2.0308085168073995
Energy: 1.971424828442033
Energy: 1.9306448713542435
Energy: 1.9754548515899728
Energy: 1.9877162479578598
Energy: 1.946835648577252
Energy: 2.009827313518987
Energy: 1.9282794504787493
Energy: 1.9881479937706654
Energy: 1.9771259570967439
Energy: 1.9978577535901636
Energy: 2.0253716134269975
Energy: 1.956324187983187
Energy: 2.0719529952058804
Energy: 2.0109787526336396
Energy: 1.9577038420555837
Energy: 2.0367484883834224
Energy: 1.9964655145494776
Energy: 1.957763750827233
Energy: 1.9218971658142932
Energy: 1.9167030665530904
Energy: 2.0031167617472474
Energy: 1.989005718825277
Energy: 1.9544379670766725
Energy: 1.931539362168743
Energy: 2.005298489976442
Energy: 1.9578029677777073
Energy: 1.950537082125076
Energy: 1.9575469196549855
Energy: 1.9574580637495138
Energy: 1.9607952374391198
Energy: 1.9814475131413176
Energy: 2.0671086683003326
Energy: 1.933447652486796
Energy: 1.9983155884118267
Energy: 1.9071899376574344
Energy: 1.964052083508235
Energy: 1.9683124665364018
Energy: 1.9750217434863726
Energy: 1.9765515832598934
Energy: 1.930167623921368
Energy: 1.9251030753031013
Energy: 2.0973930407987433
Energy: 1.958830311977095
Energy: 2.0021372863384608
Energy: 1.9808427732105816
Energy: 1.9932916386737742
Energy: 1.9083095045200822
Energy: 1.971290782776867
Energy: 1.9803935941439645
Energy: 2.0000820663165824
Energy: 1.9899601382378418
Energy: 2.006802708892694
Energy: 1.9280042771230528
Energy: 1.952198715848739
Energy: 1.9969579681778218
Energy: 1.942388987557592
Energy: 1.9923140732230293
Energy: 1.958527168763061
Energy: 1.942676636806534
Energy: 1.9866450907886812
Energy: 1.9443510715645291
Energy: 2.012783570450625
Energy: 1.955501503824764
Energy: 1.9323823825141015
Energy: 1.98775989225785
Energy: 1.975892880285081
Energy: 1.9486093261005784
Energy: 1.9200468845208527
Energy: 1.9303562324457726
Energy: 1.9533482209876967
Energy: 1.9263428426284095
Energy: 1.8992179489952878
Energy: 1.9706993372891604
Energy: 1.9794158780054478
Energy: 1.922867908624104
Energy: 2.008553247315516
Energy: 1.9746396649974218
Energy: 1.9638551849071388
Energy: 1.952939223552306
Energy: 1.9843908894956819
Energy: 1.8903496967231312
Energy: 1.93571676646611
Energy: 1.9302343660756178
Energy: 2.096885746686795
Energy: 1.9319382704779189
Energy: 2.0301618624136117
Energy: 2.015393112709354
Energy: 1.9304940549716565
Energy: 1.939465216393271
Energy: 1.98419890025991
Energy: 1.9248055027594195
Energy: 1.9149976971779388
Energy: 1.9935978596438433
Energy: 1.9812693026321648
Energy: 2.0722242803061026
Energy: 1.9770957323587504
Energy: 1.9282319676566346
Energy: 1.942700668751049
Energy: 1.9034734851478303
Energy: 1.9586691184739538
Energy: 1.9236738514093707
Energy: 1.8792752200103826
Energy: 1.9240817948788325
Energy: 2.0090102883326297
Energy: 2.040911734813749
Energy: 1.894560722300456
Energy: 1.9261633468739618
Energy: 1.9004791815962003
Energy: 1.9628466782154896
Energy: 1.9962407530925788
Energy: 1.9304030776179124
Energy: 1.9225258294032046
Energy: 1.8883348334582215
Energy: 1.969482357929241
Energy: 1.9259495496278158
Energy: 1.9491607893464125
Energy: 1.933974772308908
Energy: 2.039892278714277
Energy: 1.9250308067238797
Energy: 1.9990387115734187
Energy: 1.9673575799474716
Energy: 1.9709473825124801
Energy: 1.9504181907137583
Energy: 1.9740919869032607
Energy: 2.0142076964476945
Energy: 2.11645438553049
Energy: 2.0375273418535262
Energy: 2.054548867622028
Energy: 2.0179527348978636
Energy: 1.9380058342091244
Energy: 1.969455178273437
Energy: 2.0024130469519785
Energy: 1.943933040626941
Energy: 1.9526257442944002
Energy: 1.9768420744135755
Energy: 2.001173526550004
Energy: 1.972515995502496
Energy: 1.9123610474122072
Energy: 1.928073739445062
Energy: 1.9519549611607954
Energy: 1.973393170347405
Energy: 1.938775736489301
Energy: 1.9486660120121597
Energy: 2.035985585093008
Energy: 1.9604807794497974
Energy: 1.9629168924626355
Energy: 1.9682776566335196
Energy: 1.971466086244938
Energy: 1.9168754073748802
Energy: 2.008645835024622
Energy: 2.129231268618957
Energy: 1.912641861758894
Energy: 1.9033046452351035
Energy: 1.980201038894193
Energy: 1.904467671955538
Energy: 1.9707141666504797
Energy: 1.9555097935139885
Energy: 1.978108656280211
Energy: 1.9213475184769784
Energy: 2.004322248274313
Energy: 1.9845730993018773
Energy: 1.931343130897423
Energy: 1.9954031544592303
Energy: 1.9325022573765371
Energy: 1.939513332446111
Energy: 1.9858552378523786
Energy: 1.9221302147542338
Energy: 2.096536134435389
Energy: 1.9770519840949128
Energy: 2.0767165437977835
Energy: 1.978845847632866
Energy: 1.9756918318523995
Energy: 1.9472021747707864
Energy: 1.9728591787637044
Energy: 1.966794245411411
Energy: 1.9618394609363117
Energy: 2.00216665199647
Energy: 1.9821568242819119
Energy: 1.9966773736108558
Energy: 1.967143304531038
Energy: 1.910540618300277
Energy: 1.993337286299086
Energy: 1.9034580053865593
Energy: 1.9844081181913715
Energy: 1.9733466407063243
Energy: 1.9738163154018422
Energy: 1.999008414006066
Energy: 1.9530700760989508
Energy: 1.9912503098006453
Energy: 1.9688339766710246
Energy: 1.9697551539725453
Energy: 2.052834251117336
Energy: 2.0250920106860435
Energy: 1.9736668222517126
Energy: 1.9990640416143568
Energy: 1.940433924837613
Energy: 1.9569458188487796
Energy: 1.9566854323001805
Energy: 1.9768170374377796
Energy: 1.9816306440287614
Energy: 1.9356563200252583
Energy: 2.017732233503184
Energy: 1.9336866968710336
Energy: 1.9504636631285095
Energy: 2.007697263653081
Energy: 1.9828152189320785
Energy: 2.012206091853074
Energy: 1.9295377480356182
Energy: 1.9662629889438654
Energy: 2.097427474866871
Energy: 1.8918550957522036
Energy: 2.0340119329013286
Energy: 2.0077554922682586
Energy: 1.9806069400313044
Energy: 1.9666410917453774
Energy: 1.9732180304043536
Energy: 1.9328147990830578
Energy: 1.9681434816968588
Energy: 2.0227428085874517
Energy: 1.9495953986068024
Energy: 1.956617312461557
Energy: 1.964302882087488
Energy: 1.913755005529598
Energy: 1.9584514776144826
Energy: 1.9497545258922575
Energy: 1.9318597560806317
Energy: 2.001562007410744
Energy: 1.922261782884562
Energy: 1.9791946021718128
Energy: 1.979612036942839
Energy: 2.0119737783575844
Energy: 1.9489982207118222
Energy: 2.0030064219816275
Energy: 1.947738985565444
Energy: 1.9386301063491098
Energy: 2.0066419918468914
Energy: 1.9501288228142888
Energy: 1.9818580584100696
Energy: 1.9284517979710174
Energy: 2.0190470933236133

minimum gb energy = 1.8792752200103826 eV
minimum distance =  2.26199752472932 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.8367181546546736
Energy: 2.028222721785723
Energy: 2.6712703387575356
Energy: 2.2660175284810378
Energy: 1.9160820428353078
Energy: 2.044838729203658
Energy: 1.813232255241028
Energy: 1.9351172328268094
Energy: 1.9689414088439943
Energy: 1.8567467454601616
Energy: 1.948603903201378
Energy: 1.96602127543465
Energy: 1.9300761196926113
Energy: 1.926331518001427
Energy: 1.928598102864404
Energy: 1.7680002456200021
Energy: 1.8567524781601823
Energy: 2.0964351764217
Energy: 1.9573869728196667
Energy: 1.9281618004414487
Energy: 1.9274484649544708
Energy: 1.9289856823467606
Energy: 1.768192234573098
Energy: 1.8641154647383893
Energy: 1.7655581351135547
Energy: 2.0572758352487868
Energy: 1.8614101205128961
Energy: 2.022253730769809
Energy: 1.9527695491740187
Energy: 1.9626422493897902
Energy: 2.102332628527227
Energy: 1.8603413490341896
Energy: 1.972454056062551
Energy: 1.8656476816776668
Energy: 1.9280233175796044
Energy: 1.811745719106777
Energy: 1.9603352407957841
Energy: 1.858916161349192
Energy: 1.7671680410159485
Energy: 1.9514875424340787
Energy: 1.9276176686769688
Energy: 1.9737410196503593
Energy: 1.9304097633081212
Energy: 1.9141770290033182
Energy: 1.8578102560498149
Energy: 1.9648766160935107
Energy: 1.814655265435458
Energy: 1.8146861779723291
Energy: 1.9246613921151328
Energy: 1.8156616051695462
Energy: 1.9597154431014496
Energy: 2.062014386448754
Energy: 1.7693662118685638
Energy: 2.060695542753823
Energy: 1.8597661184038883
Energy: 1.9730300081973065
Energy: 1.8161060481819045
Energy: 1.9613215676028262
Energy: 2.0571758143872216
Energy: 1.7654907947719036
Energy: 1.9597875531442204
Energy: 1.8787571518032464
Energy: 1.9735591756596653
Energy: 1.9297939195188833
Energy: 1.7676917299613049
Energy: 1.8589715780665537
Energy: 1.950639574626362
Energy: 1.953031536447546
Energy: 1.9265289512684125
Energy: 1.9276957940462014
Energy: 1.9280353911314285
Energy: 1.8976263858502898
Energy: 1.8661853656592167
Energy: 1.7675793858079227
Energy: 1.969902958114914
Energy: 1.9337516609597973
Energy: 2.0250257287613067
Energy: 1.970736110845604
Energy: 1.8224074272912818
Energy: 1.8990973056715212
Energy: 1.7663279054105447
Energy: 1.9488322832435732
Energy: 1.8655534983006397
Energy: 1.9344878680058935
Energy: 1.8155722989413083
Energy: 1.8261051582347856
Energy: 2.0628880485480074
Energy: 1.8730713324390778
Energy: 1.96737585116017
Energy: 1.789372912801803
Energy: 1.9275938815219897
Energy: 1.928716612891454
Energy: 1.7676524499390815
Energy: 1.8568628063031913
Energy: 1.9918624059666434
Energy: 1.8126438712308743
Energy: 1.8146692152223949
Energy: 1.9256161642243872
Energy: 1.8113203770050152
Energy: 1.900682020821537
Energy: 1.8565231291212012
Energy: 1.967796288946231
Energy: 1.8127124215396078
Energy: 1.8124922146884324
Energy: 1.9257663157215033
Energy: 1.8125944290501235
Energy: 2.0224634564591946
Energy: 1.9645141612945671
Energy: 1.8665780316065932
Energy: 1.9315185881010482
Energy: 2.045072921501024
Energy: 1.8126963374165308
Energy: 1.9354545763591124
Energy: 1.9687043145908283
Energy: 1.8568088514381311
Energy: 1.9485445008117424
Energy: 1.9621121813886941
Energy: 1.9296511402913186
Energy: 1.9259887372513413
Energy: 1.928674892451276
Energy: 1.7710833493740326
Energy: 1.857114207209906
Energy: 2.097027464265009
Energy: 1.955445483238158
Energy: 1.928237187204591
Energy: 2.0161927137533224
Energy: 1.9292471189252307
Energy: 1.7680671305826507
Energy: 1.863155728511149
Energy: 1.7654142755110338
Energy: 2.061089098217867
Energy: 1.8617098179056022
Energy: 2.1360355498783337
Energy: 1.9672168233953538
Energy: 1.9623834203636104
Energy: 2.102510373152994
Energy: 1.8609349002283468
Energy: 2.070439367830247
Energy: 1.8569073100649274
Energy: 1.9281483831283526
Energy: 1.8117875067778082
Energy: 1.9608946194392942
Energy: 1.8586635349754212
Energy: 1.7669268946869203
Energy: 1.9516248662134807
Energy: 1.8124684017313983
Energy: 1.9770580524333072
Energy: 1.9300622724748169
Energy: 1.903825028106332
Energy: 1.8576581445470166
Energy: 1.9642914563219147
Energy: 1.814669300326313
Energy: 1.8145108415116127
Energy: 1.9246123686780534
Energy: 1.8150422040347063
Energy: 1.9604076383070874
Energy: 2.061409810905413
Energy: 1.7681386402048456
Energy: 2.06041035657862
Energy: 1.8580683235306361
Energy: 1.975126223356933
Energy: 1.8122946147384322
Energy: 1.96057386290573
Energy: 2.0570094146250644
Energy: 1.7653223450067501
Energy: 1.9596934944642814
Energy: 1.860396871941857
Energy: 1.973779318102196
Energy: 1.9292634511212807
Energy: 1.900081476959176
Energy: 1.8583966581120215
Energy: 1.9513747189806072
Energy: 1.952933867046278
Energy: 1.92630981376658
Energy: 1.927658376364978
Energy: 1.9278567720256303
Energy: 1.8981086320167662
Energy: 1.863579488586766
Energy: 1.768819583999551
Energy: 1.969697920746631
Energy: 1.8577060854595917
Energy: 2.024026079236846
Energy: 1.9701039645516385
Energy: 1.824079308199664
Energy: 1.8984051059526668
Energy: 1.767010202769651
Energy: 1.948907296482046
Energy: 1.859667761972107
Energy: 1.9343760003682542
Energy: 1.8148387270810804
Energy: 1.82527476974964
Energy: 2.0629442887411225
Energy: 1.8737294629855827
Energy: 1.9664324395168058
Energy: 1.8809570940852351
Energy: 1.9276688233435813
Energy: 1.9277169673465506
Energy: 1.7672910264930521
Energy: 1.8570882308874803
Energy: 1.991536694953245
Energy: 1.8142747143139268
Energy: 1.8136761008405264
Energy: 1.9250035046756353
Energy: 1.8114014255513293
Energy: 1.9012421128531019
Energy: 1.8565138745029048
Energy: 1.7651954089202533
Energy: 1.8128086394290794
Energy: 1.8124814647683791
Energy: 1.926264930564022

minimum gb energy = 1.7651954089202533 eV
minimum distance =  2.31040028058651 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.3372941245509717
Energy: 2.2001286848758927
Energy: 1.7745307277258058
Energy: 2.3374295291640337
Energy: 1.8866196480137014
Energy: 1.887097234884644
Energy: 2.168919299657085
Energy: 2.0580927316852473
Energy: 1.9475073421239144
Energy: 2.0638133300030916
Energy: 1.8254949268793585
Energy: 1.7544896788712703
Energy: 2.0470562771298817
Energy: 1.8852965095379748
Energy: 2.023695565688446
Energy: 1.8728779103659274
Energy: 1.8958135676074548
Energy: 1.8183811186300847
Energy: 1.8665670713922573
Energy: 1.8767311342610402
Energy: 1.8934369468991026
Energy: 2.2246183782395987
Energy: 1.8697833868033646
Energy: 1.9415137866211696
Energy: 1.9431034968427887
Energy: 1.9520227215995274
Energy: 1.8862181284434045
Energy: 2.0595030573794464
Energy: 1.8460318374933347
Energy: 1.8323431196355404
Energy: 1.9369601110973247
Energy: 1.7977171684669588
Energy: 1.71461608310907
Energy: 1.898736353914863
Energy: 1.8819959425211057
Energy: 1.7990074306157335
Energy: 1.7527986573141165
Energy: 1.9870320541992148
Energy: 1.8681011116532424
Energy: 1.7076937409823774
Energy: 1.8764216692008122
Energy: 1.8520592221121812
Energy: 2.053868594918888
Energy: 1.790647620819836
Energy: 1.8896054286387673
Energy: 1.8942776518482567
Energy: 1.7982651063913744
Energy: 1.7985223806931103
Energy: 1.8498922296565021
Energy: 1.8874413682213846
Energy: 1.8008985344940334
Energy: 1.9003185688360822
Energy: 1.9394613230022566
Energy: 1.8890453771522318
Energy: 1.847847986265714
Energy: 1.859857453107153
Energy: 1.9221642365145493
Energy: 1.8164799240831933
Energy: 1.9812085256349055
Energy: 1.9758328040115816
Energy: 1.8599130248632192
Energy: 2.0735046297646007
Energy: 1.8792964008650646
Energy: 2.2744189202753295
Energy: 2.0442302477548364
Energy: 1.7820290266318606
Energy: 1.9048694904264278
Energy: 1.8868371404048223
Energy: 1.8905112377464277
Energy: 1.8457690913910083
Energy: 1.9668600087646966
Energy: 1.8920684574477205
Energy: 1.9162106708857796
Energy: 1.967125818845848
Energy: 1.7981314829695028
Energy: 1.7982273299369764
Energy: 1.8996304082834643
Energy: 1.8897399251843594
Energy: 1.950060327698634
Energy: 2.0972093803390943
Energy: 1.961954188012376
Energy: 1.997805571011154
Energy: 2.167685150055729
Energy: 1.8753118827537485
Energy: 2.167250487902037
Energy: 1.8674914036034707
Energy: 1.848805141688485
Energy: 2.0988923869740472
Energy: 1.819950745376464
Energy: 1.8860100299501885
Energy: 1.7983932420733413
Energy: 1.7969238046770644
Energy: 1.8716241382669492
Energy: 1.926787803558726
Energy: 1.9937687588755955
Energy: 1.941997966066909
Energy: 1.890900330274642
Energy: 1.8853530909851057
Energy: 1.8874707344897714
Energy: 1.945567440577492
Energy: 1.912282284047706
Energy: 1.817943205832887
Energy: 1.962674380766554
Energy: 2.049762837164747
Energy: 1.8476121622534722
Energy: 1.9294659481860321
Energy: 1.7387584855208504
Energy: 1.8913010371162717
Energy: 1.8854885009599205
Energy: 1.8844193914491627
Energy: 1.8791335915508927
Energy: 1.886641974368499
Energy: 1.8463770735430858
Energy: 1.940790988905692
Energy: 1.8991748600424847
Energy: 1.7972650371177046
Energy: 1.6576506728020883
Energy: 1.8612297094937242
Energy: 1.9752069354189057
Energy: 1.8006165557895324
Energy: 1.7391151328568313
Energy: 1.9190866552235002
Energy: 1.789915692974832
Energy: 1.8742186331130302
Energy: 1.853312740091269
Energy: 1.836821991163418
Energy: 2.1669011007022316
Energy: 1.7081742419919732
Energy: 1.9407218488486657
Energy: 1.7870357613979564
Energy: 1.7989210781763336
Energy: 1.7983494166222453
Energy: 1.854305546388341
Energy: 1.888254998480899
Energy: 1.797921997647433
Energy: 1.8792922765292814
Energy: 1.9382118726500188
Energy: 1.847203674626099
Energy: 1.8467876076400405
Energy: 1.8836942396264595
Energy: 1.8870602660838787
Energy: 1.7390596774556482
Energy: 1.9821469769379132
Energy: 1.9483880749178486
Energy: 1.8723042753958026
Energy: 2.0575998303186087
Energy: 1.916481712586005
Energy: 2.0321473967752475
Energy: 1.8146733980624163
Energy: 1.9136817123127858
Energy: 1.9291389066757803
Energy: 1.7475014857702544
Energy: 1.860819733904044
Energy: 1.9516304598256398
Energy: 1.9370637720399302
Energy: 1.8016022085581809
Energy: 1.8565116679519342
Energy: 1.8996288796138723
Energy: 1.9046487391293656
Energy: 1.888585354848238
Energy: 1.8476025082768508
Energy: 1.8878114516152074
Energy: 1.9463797604213555
Energy: 1.7709699361329327
Energy: 1.89043612841577
Energy: 2.168049322835712
Energy: 2.167945514327083
Energy: 1.874487420656905
Energy: 1.7971281922169053
Energy: 1.9458921031790717
Energy: 1.8885800378353799
Energy: 1.9650714358228074
Energy: 1.983756609840048
Energy: 1.8887254102771631
Energy: 1.8997039521569326

minimum gb energy = 1.6576506728020883 eV
minimum distance =  2.28564231941098 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.80275976872901
Energy: 2.0086820895631314
Energy: 1.9572067391224044
Energy: 1.8552205217751372
Energy: 1.8749947814263332
Energy: 1.791675218598809
Energy: 1.905922588244049
Energy: 1.974616506939708
Energy: 2.006239336116113
Energy: 1.796325526076933
Energy: 1.9257967550052415
Energy: 1.7429291484729945
Energy: 1.8064908877665966
Energy: 1.7999968230139076
Energy: 1.9863030963202541
Energy: 1.9572573979091166
Energy: 1.897607143682375
Energy: 1.8097647144550502
Energy: 1.73155187020385
Energy: 1.9174671578911175
Energy: 1.8316307567517576
Energy: 1.8090415888233842
Energy: 1.9978969394308266
Energy: 1.7437870564066633
Energy: 1.9400748416864986
Energy: 1.7871865988761138
Energy: 1.84180187507288
Energy: 1.910758541130467
Energy: 1.8061337989026476
Energy: 1.853352489619928
Energy: 1.7825912666707682
Energy: 1.9275611731579148
Energy: 1.857336208264407
Energy: 1.8652479607674237
Energy: 1.917328713412118
Energy: 1.9783766825308813
Energy: 1.8689502020410267
Energy: 1.9099232424327865
Energy: 1.7438031731480699
Energy: 1.8267714925960215
Energy: 1.9125054643942827
Energy: 1.807523721472668
Energy: 1.9266563884263899
Energy: 1.8359005828181725
Energy: 1.9669412074209704
Energy: 1.7890400406167324
Energy: 1.8127729077350871
Energy: 1.8507756315465786
Energy: 1.9326043585052333
Energy: 1.765646391942921
Energy: 1.8266452356248641
Energy: 1.7880431292640986
Energy: 1.7812974655673612
Energy: 1.7382440919327802
Energy: 1.7597518663922795
Energy: 1.7482028277749333
Energy: 1.8385894705831713
Energy: 1.819468092822967
Energy: 2.0342989341082713
Energy: 1.7579792136676893
Energy: 1.7668247344638401
Energy: 1.955168001659387
Energy: 1.7049204395019166
Energy: 1.988011963133043
Energy: 1.8436241722721483
Energy: 1.9143057673038593
Energy: 1.7952203984212154
Energy: 1.767826828273977
Energy: 1.9031994078226628
Energy: 1.7101952840901484
Energy: 1.9194990675968582
Energy: 1.7916943066869422
Energy: 1.9138573554534917
Energy: 1.7391965530286135
Energy: 1.7982533222758452
Energy: 1.928969188530885
Energy: 1.7305257428524818
Energy: 1.862992243694932
Energy: 1.7444247876059173
Energy: 2.1159509049410303
Energy: 1.7584537414812769
Energy: 1.843076353973109
Energy: 2.131154778915803
Energy: 1.7763583774458347
Energy: 1.793865611217836
Energy: 1.8069411780930846
Energy: 1.9530628227020526
Energy: 1.7811184545975356
Energy: 1.794934597030325
Energy: 1.824614725897397
Energy: 1.7819272371245458
Energy: 2.001681589170425
Energy: 1.7854275003800941
Energy: 1.8075880019099955
Energy: 1.8383543167143228
Energy: 1.807064265015073
Energy: 1.864547882872023
Energy: 1.8165268992669221
Energy: 1.9265205265576073
Energy: 1.7210150079970201
Energy: 1.9971182632461117
Energy: 1.7588784576302525
Energy: 1.9683534674085754
Energy: 2.0776326116020547
Energy: 1.896471408624846
Energy: 1.7565468426125372
Energy: 1.8370377091745307
Energy: 1.7716744317037325
Energy: 1.803392214166296
Energy: 1.7598834287580052
Energy: 1.7821165598350117
Energy: 1.9911852666321825
Energy: 1.8319469870160618
Energy: 1.9532177550021559
Energy: 1.7742335611309605
Energy: 1.7699091032280696
Energy: 1.7665154464013189
Energy: 1.8554885783643773
Energy: 1.9041795902386198
Energy: 1.9734303082013036
Energy: 2.0043153433159056
Energy: 1.8687951600443744
Energy: 1.7544751831010137
Energy: 1.791943252218584
Energy: 1.889266935938882
Energy: 1.9182564898818342
Energy: 1.8496296009503221
Energy: 1.9787188759313492
Energy: 1.9132319277219267
Energy: 1.7528431622602658
Energy: 1.7881603833486583
Energy: 1.8546851388691152
Energy: 1.8101071041655337
Energy: 1.8441234969402165
Energy: 1.7424452828503836
Energy: 1.889357665530933
Energy: 1.755393691099274
Energy: 2.014823478871402
Energy: 1.839263715113381
Energy: 1.779122977815656
Energy: 1.9865253329128811
Energy: 1.8115058453336568
Energy: 1.7561097529188492
Energy: 1.7436841974986734
Energy: 1.7446174520102031
Energy: 1.736077212252884
Energy: 1.8849229827243013
Energy: 1.8397037767430884
Energy: 1.7790612712523513
Energy: 1.8380077082124215
Energy: 1.817292261713797
Energy: 1.8195793305340608
Energy: 1.7494119411151774
Energy: 1.9476011508227025
Energy: 1.7182815497655803
Energy: 1.7344606836192067
Energy: 1.8868988137968163
Energy: 2.1538077659995247
Energy: 1.8933656244978156
Energy: 1.8893668686209644
Energy: 1.8161901992724503
Energy: 1.8997680273888566
Energy: 1.7534292607841193
Energy: 1.7474812151506198
Energy: 1.925097437993357
Energy: 1.8419610677792169
Energy: 1.7540931061824057
Energy: 1.8392946901260756
Energy: 1.7470610218679399
Energy: 2.0215334998987142
Energy: 1.9628119075742445
Energy: 1.742600170792843
Energy: 1.7572194393530929
Energy: 1.8726680555377209
Energy: 1.9077926827012592
Energy: 1.8952540375386486
Energy: 1.7643752786446751
Energy: 1.7528500585285658
Energy: 1.7711058532695716
Energy: 1.8281293624484436
Energy: 1.8224965522644683
Energy: 1.8751126108403582
Energy: 1.734015016027755
Energy: 1.853888925431432
Energy: 1.7631173104181166
Energy: 1.7516062458367037
Energy: 1.8035680291213023
Energy: 1.864501227557667
Energy: 1.955457593238511
Energy: 1.9793572103753854
Energy: 1.8747278500281273
Energy: 1.9928537710794023
Energy: 1.7599872849650342
Energy: 1.7444107994336908
Energy: 1.9919002148354426
Energy: 1.7653307581799762
Energy: 2.0329097378548004
Energy: 1.8373942246408774
Energy: 1.8203430155592735
Energy: 1.8496981143458657
Energy: 1.8526922688763665
Energy: 1.9134525535569145
Energy: 1.9035686348762
Energy: 1.7355843843378003
Energy: 1.8585923770114332
Energy: 1.8166757227741392
Energy: 1.8117990492853657
Energy: 1.7970759948847783
Energy: 1.7737411600290465
Energy: 1.7912951082355222
Energy: 1.8325592536494906
Energy: 1.873877411200293
Energy: 2.041686612167483
Energy: 1.8226034858990168
Energy: 1.9031737485021045
Energy: 2.0255735008694566
Energy: 1.7744440800868584
Energy: 2.003739846407096
Energy: 1.8111865203176167
Energy: 1.958989037435262
Energy: 1.7532621864704694
Energy: 1.797587850211599
Energy: 1.9319735198843782
Energy: 1.78412995641382
Energy: 1.9210188706582758
Energy: 1.7992467848740548
Energy: 1.9143385446264705
Energy: 1.7452160722871826
Energy: 1.7892063083464178
Energy: 1.8623450523118832
Energy: 1.7935745090804784
Energy: 1.8078154121017624
Energy: 1.771024569102004
Energy: 2.1153298885845695
Energy: 1.8530356098431213
Energy: 1.8029127802062759
Energy: 2.129776360909461
Energy: 1.8960873157410059
Energy: 1.798540555004015
Energy: 1.819843303486431
Energy: 1.8573354262372255
Energy: 1.8175366169713891
Energy: 1.8407412420242864
Energy: 1.7868465863561032
Energy: 1.771252431058342
Energy: 2.0634807948222464
Energy: 1.8252679865945407
Energy: 1.8298433710764108
Energy: 1.846768095184478
Energy: 1.777883185546011
Energy: 1.86361781307849
Energy: 1.8317084134216828
Energy: 1.9227258997457928
Energy: 1.8009404833801679
Energy: 1.9378307879073304
Energy: 1.7342793757100416
Energy: 1.7413277716454514
Energy: 2.0003665621561373
Energy: 1.778319702827179
Energy: 1.744634332736847
Energy: 1.8431079652882438
Energy: 1.7808103229230605
Energy: 1.8036402469192696
Energy: 1.769852411281137
Energy: 1.78961354990884
Energy: 1.9757488220685404
Energy: 1.837480525056119
Energy: 1.8803107436205093
Energy: 1.819813809489803
Energy: 1.8064298349852073
Energy: 1.762023610342115
Energy: 1.792300223273578
Energy: 1.9394628787604447
Energy: 1.8123734216728447
Energy: 1.991349408568079
Energy: 2.0445308402586737
Energy: 1.8236549520180132
Energy: 1.7631011873875264
Energy: 1.869580599304514
Energy: 1.8917831930362925
Energy: 1.9621838135973193
Energy: 2.001972318954858
Energy: 1.8468169716497214
Energy: 2.0065319556919965
Energy: 1.7597344031004407
Energy: 1.763488706362275
Energy: 1.7823564528557347
Energy: 1.8120997845916895
Energy: 1.9143537454125226
Energy: 1.7934769439892337
Energy: 2.0333337702558505
Energy: 1.9291757634823694
Energy: 1.854170906605062
Energy: 1.7745690278904096
Energy: 1.862492577260399
Energy: 1.7798972656698722
Energy: 1.7567741883595869
Energy: 1.8241895515507112
Energy: 1.737248303725934
Energy: 1.7294962926579196
Energy: 1.7902862680720577
Energy: 2.0937544530966936
Energy: 1.7822997040819584
Energy: 1.7660617728661678
Energy: 1.7412812154712143
Energy: 1.7354083886038163
Energy: 1.7326879682071759
Energy: 1.798068765422887
Energy: 1.7357294375307943
Energy: 1.750588542552102
Energy: 1.9280758188993925
Energy: 1.8053792706432297
Energy: 1.9685514319313229
Energy: 1.7414255340439169
Energy: 1.9551629919186464

minimum gb energy = 1.7049204395019166 eV
minimum distance =  2.24579249927474 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.8442272277631635
Energy: 2.2909373365564134
Energy: 1.5672215838889647
Energy: 1.56681190146962
Energy: 1.5666256708470074
Energy: 1.567000789637201
Energy: 1.566559447939538
Energy: 1.5636686626190328
Energy: 1.8810096420785587
Energy: 1.5647403518119607
Energy: 1.5630773240211802
Energy: 1.563865353111117
Energy: 1.564262378209892
Energy: 1.8814457429925464
Energy: 1.849855379099392
Energy: 1.8800764242987251
Energy: 1.56382681969418
Energy: 1.5681468258159317
Energy: 1.563756021583283
Energy: 1.565653672982227
Energy: 1.5671222328489987
Energy: 1.8485047814120874
Energy: 1.8808958393517274
Energy: 1.5680389737132443
Energy: 1.566149741307755
Energy: 1.5678505642986353
Energy: 1.5651787178222478
Energy: 1.5670643139785043
Energy: 1.7469137390145897
Energy: 1.8832253555458263
Energy: 1.5834220435100306
Energy: 1.8811907505203236
Energy: 1.5649490888363722
Energy: 1.581552120934263
Energy: 1.8775782043998859
Energy: 1.8450025399973484
Energy: 1.8823450444410001
Energy: 1.5677631262878846
Energy: 1.5668705706769364
Energy: 1.5675706153456694
Energy: 1.5671457490296976
Energy: 1.5661569573257927
Energy: 1.5628674394078554
Energy: 1.8802159433418217
Energy: 1.5638164703044442
Energy: 1.56394183665908
Energy: 1.5635462297305855
Energy: 1.564807537695127
Energy: 1.8805005195012385
Energy: 1.5636415550235512
Energy: 1.8799459614456673
Energy: 1.564432505101785
Energy: 1.5635634638611042
Energy: 1.5634239337331544
Energy: 1.563404834082843
Energy: 1.879587822018131
Energy: 1.8462185083861038
Energy: 1.8813319372190482
Energy: 1.5678385641767443
Energy: 1.5675074915434122
Energy: 1.566999107563284
Energy: 1.5683153144492372
Energy: 1.5664758849022877
Energy: 2.040181180015099
Energy: 1.8811689564009944
Energy: 1.5865710580074395
Energy: 1.8772904776978123
Energy: 1.8793340383671742
Energy: 1.5799535106158455
Energy: 1.8824490950982757
Energy: 1.8472809203954208
Energy: 1.8810539103846475
Energy: 1.5668136594634832
Energy: 1.5672572800920634
Energy: 1.5681425508645417
Energy: 1.5677880667467885
Energy: 1.566742071856561
Energy: 1.8479461231254235
Energy: 1.8796724542975651
Energy: 1.5637208450621538
Energy: 1.5639089077605468
Energy: 1.5634814144951181
Energy: 1.5634082906675306
Energy: 1.880001558779345
Energy: 1.5634708177913115
Energy: 1.8799710680277693
Energy: 1.5639342115629307
Energy: 1.5636880224547673
Energy: 1.5634956740924963
Energy: 1.5637262904741474
Energy: 1.880363797841297
Energy: 1.8445958291174274
Energy: 1.8811806721039623
Energy: 1.567154464735567
Energy: 1.5672280577920081
Energy: 1.5666843187150787
Energy: 1.5674304119332914
Energy: 1.5663018951794256
Energy: 1.7471165794736845
Energy: 1.8823186024743588
Energy: 1.5812045184358225
Energy: 1.5636411144418239
Energy: 1.5638680418591342
Energy: 1.5650339377538522
Energy: 1.8821032899038943
Energy: 1.84936309358995
Energy: 1.880211949113688
Energy: 1.5630851059116706
Energy: 1.567785657028423
Energy: 1.568875155092179
Energy: 1.5655293216331496
Energy: 1.5667376334714918
Energy: 1.850161766133155
Energy: 1.8798809623200596
Energy: 1.5666097918367226
Energy: 1.5678555810993786
Energy: 1.5681991745223507
Energy: 1.5646759038073028
Energy: 1.5672537129071493
Energy: 1.7478068003080645
Energy: 1.8820774557942026
Energy: 1.5649413665717788
Energy: 1.5635777499756949
Energy: 1.5636030419208629
Energy: 1.5650090626098911
Energy: 1.8824586613481553
Energy: 1.844332636011691
Energy: 1.8819782888338281
Energy: 1.567440223596063
Energy: 1.566897095011926
Energy: 1.5667571692739262
Energy: 1.567047992268264
Energy: 1.5664578552063104
Energy: 1.6857053328925673
Energy: 1.880322207045233
Energy: 1.5645276595182078
Energy: 1.5629072783426734
Energy: 1.5632071553790463
Energy: 1.5641319715026607
Energy: 1.8811603108803048

minimum gb energy = 1.5628674394078554 eV
minimum distance =  2.39263111876873 Angstroms
sigma value = 23