Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538
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=[1.5339527485710118e-19, 2.0736331303208398e-19, 2.476965076164e-19, 2.80163014927776e-19, 3.0726543486852e-19, 3.30372026284068e-19, 3.5033514714370797e-19, 3.6772837668241203e-19, 3.8296667864838596e-19, 3.9634966007218794e-19, 4.0814168009842795e-19, 4.18506160743774e-19, 4.27590502258554e-19, 4.3552127659685395e-19, 4.424010230632499e-19, 4.48316259195978e-19, 4.53353502533274e-19, 4.5757363578723e-19, 4.610263264335e-19, 4.63764446301006e-19, 4.658344585121339e-19, 4.67270008776198e-19, 4.68109549332414e-19, 4.68383521536828e-19, 4.6809993627261e-19, 4.671626629417199e-19, 4.654547426498759e-19, 4.628399903831879e-19, 4.591581884782559e-19, 4.542042583259279e-19, 4.47741077784372e-19, 4.394978790024419e-19, 4.2910295700104993e-19, 4.16130132795552e-19, 4.0004107503692395e-19, 3.8017248259869e-19, 3.55692825807804e-19, 3.25533452849388e-19, 2.88337320114444e-19, 2.42354850718644e-19, 1.85264490719322e-19, 1.139971105563876e-19, 2.4425503220656798e-20, -8.9175549271806e-20, -2.34794179182798e-19, -4.2400002442175997e-19, -6.738819009669359e-19, -1.010491200887166e-18, -1.4752650184675917e-18, -2.1373036297559998e-18, -3.1189892969404794e-18, -4.6540827952749e-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: 0.011095171807710432
Energy: 0.58439515433391
Energy: 0.3079377744873122
Energy: 0.8277665222236308
Energy: 0.8231552385389823
Energy: 0.28775949551097796
Energy: 0.01140387876195494
Energy: 0.0614059131246335
Energy: 0.5776241899683664
Energy: 0.06176705249063383
Energy: 0.1463976461781499
Energy: 0.572466026317641
Energy: 0.012456526414816042
Energy: 0.06282674261501228
Energy: 0.011422162044488307
Energy: 0.5771757100083478
Energy: 0.30347149528889256
Energy: 0.14642495070846118
Energy: 0.5735648229909147
Energy: 0.06149894573071411
Energy: 0.06284096856708972
Energy: 0.013165564768712891
Energy: 0.5806279567854356
Energy: 0.14641084832158147
Energy: 0.5729676459615543
Energy: 0.5773169606458038
Energy: 0.0619183439716004
Energy: 0.012020942180732701
Energy: 0.06174852882824608
Energy: 0.5772642730098793
Energy: 0.06175231459847016
Energy: 0.14663989114761275
Energy: 0.5724349921687636
Energy: 0.012065566928371881
Energy: 0.06311562123436959
Energy: 0.011424244893204523
Energy: 0.5755135804733683
Energy: 0.32944992338434453
Energy: 0.14679364454700786
Energy: 0.5748501883189909
Energy: 0.06135938102998021
Energy: 0.0625803793228988

minimum gb energy = 0.011095171807710432 eV
minimum distance =  2.82329486061505 Angstroms
sigma value = 5


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

Energy: 0.951812006202382
Energy: 0.9361465779534175
Energy: 0.969336064881101
Energy: 0.9545321463118975
Energy: 1.0064622323633179
Energy: 1.0086316195708347
Energy: 0.9853518272419987
Energy: 0.9354205517089013
Energy: 0.9922386846084337
Energy: 0.9465197383567882
Energy: 1.0458780112433297
Energy: 0.9678368396726154
Energy: 0.9510589144676508
Energy: 0.9983678643386038
Energy: 0.9447075780957115
Energy: 0.9823573074331188
Energy: 0.99401089231361
Energy: 0.9841630579728121
Energy: 0.975641448758886
Energy: 0.9804472195526137
Energy: 1.0029316522863088
Energy: 0.9361374095955166
Energy: 1.0335102346440739
Energy: 0.9512532494935585
Energy: 0.9638421584325245
Energy: 0.9474848797561781
Energy: 0.946528983435514
Energy: 0.9867153779250265
Energy: 0.9494421681310039
Energy: 0.991906141242173
Energy: 0.951322586702267
Energy: 0.9508000294678736
Energy: 1.0057716759381945
Energy: 0.9642953066243442
Energy: 0.9854875568199569
Energy: 0.9653733416826322
Energy: 0.9753097103718237
Energy: 0.9391542707902842
Energy: 0.9960859102482347
Energy: 0.9723870422619469
Energy: 1.0307006104568295
Energy: 1.062439212350564
Energy: 0.9372398143721491
Energy: 0.9787637509092886
Energy: 0.9813101999586099
Energy: 0.9517520404598767
Energy: 0.9413787806293658
Energy: 1.019867716327504
Energy: 0.9757665292837023
Energy: 0.9649106333041709
Energy: 0.9551344197998503
Energy: 0.9643113466816327
Energy: 1.0033415471324663
Energy: 0.9648354932630796
Energy: 0.972375496128147
Energy: 1.031978329452549
Energy: 0.9648684010786309
Energy: 0.9910562113544751
Energy: 0.9527346208055288
Energy: 0.9688489343160492
Energy: 0.9928925770599614
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Energy: 0.9512742607482106
Energy: 0.9521472123209525
Energy: 1.0111219734084351
Energy: 0.9955727019478146
Energy: 0.9746660196442919
Energy: 0.9666442894351146
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Energy: 0.9623227672260863
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Energy: 0.9599536698803709
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Energy: 1.0520776661932376
Energy: 0.9433297890444495
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Energy: 0.9770460827273999
Energy: 0.9760312863253926
Energy: 0.9960970617256055
Energy: 0.9529242708306486
Energy: 0.9633168632653167
Energy: 1.0025195543136307
Energy: 1.027838389960656
Energy: 0.959878373608146
Energy: 1.0015119113444029
Energy: 0.978452004885779
Energy: 0.997229132163095
Energy: 1.0299340900217622
Energy: 0.9673872950934468
Energy: 0.955708596198759
Energy: 0.9665921036985552
Energy: 0.9432364293475899
Energy: 0.9944735433750252
Energy: 0.9360802215741798
Energy: 0.9684987596910033
Energy: 0.9436112001534599
Energy: 0.9507685608070906
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Energy: 0.9617791205445742
Energy: 0.9839127227015081
Energy: 0.9667648492240963
Energy: 0.9502645813272718
Energy: 0.9455684290903505
Energy: 0.9715692258936456
Energy: 0.9503860909459919
Energy: 0.9909821037112827
Energy: 0.977701460606792
Energy: 1.0133526574190592
Energy: 0.9895749786483411
Energy: 1.0386252095632214
Energy: 0.9496665750879928
Energy: 0.9627224642717029
Energy: 0.9445209653205843
Energy: 0.9578842632497521
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Energy: 0.96226531973665
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Energy: 0.952789883337135
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Energy: 0.980094330995542
Energy: 1.007090626434185
Energy: 0.9645517746953975
Energy: 1.028444126580158
Energy: 0.9674880724200107
Energy: 0.9566269745717889
Energy: 1.0012681863784059
Energy: 1.0250752747122474
Energy: 0.9761719390796554
Energy: 0.9808202489894116
Energy: 0.9720017771940177
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Energy: 0.9989592175738693
Energy: 0.9521493530302834
Energy: 0.9481371087885595
Energy: 0.9424536540627608
Energy: 0.9409563066901535
Energy: 0.9879745279101867
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Energy: 0.979656826327931
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Energy: 0.9915484361548245
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Energy: 0.9575225636119503
Energy: 0.9876583552693033
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Energy: 1.0193766341273298
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Energy: 0.9813304693979541
Energy: 0.9434986013304146
Energy: 1.0297914985853154
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Energy: 0.9615866737092111
Energy: 0.9894414610678185
Energy: 0.9478539668785948
Energy: 0.9506496539522478
Energy: 0.9759935924388214
Energy: 0.9936487712232528
Energy: 0.9289194907379223
Energy: 0.9951413280446768
Energy: 0.9475629993689519
Energy: 0.9911701358148303
Energy: 0.9836753972675559
Energy: 0.9540859986198815
Energy: 0.9941771802637344
Energy: 0.9432463982184224
Energy: 0.9932683781936462
Energy: 0.9895383696196935
Energy: 0.9723049331131159
Energy: 0.9650960317101823
Energy: 0.9864450655956926
Energy: 0.9626739617826802
Energy: 0.9355496809089577
Energy: 0.9826586384385663
Energy: 0.9713511424340324
Energy: 0.9524648845889112
Energy: 0.9473644842117743
Energy: 0.951753049005693
Energy: 0.9741732492983931
Energy: 0.9748619976429292
Energy: 0.944267773879521
Energy: 0.9628687956550763
Energy: 0.946001951190521
Energy: 0.9370321718928014
Energy: 0.9584513963549754
Energy: 0.979286946939095
Energy: 1.0252213438106907
Energy: 0.9560417754515996
Energy: 0.9900616609429952
Energy: 0.9845567947831395
Energy: 0.9374186378329216
Energy: 0.9600034364020789
Energy: 0.9590995761106357
Energy: 0.9421990871060701
Energy: 0.9903728110707833
Energy: 0.9694265641350556
Energy: 1.0062880255468059
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Energy: 0.9804477176483345
Energy: 0.9390230283761812
Energy: 1.0226856819847758
Energy: 0.9755726241068189
Energy: 0.9726860911368711
Energy: 0.9640115875583993
Energy: 1.000274732889409
Energy: 0.9592193794896073
Energy: 0.9627613583801901
Energy: 1.0007109708641189
Energy: 0.9536986784103219
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Energy: 1.0145402487960997
Energy: 0.9647287457711401
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Energy: 0.9663417969413133
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Energy: 0.951968677447978
Energy: 0.9454105843618149
Energy: 0.9750522192553825
Energy: 0.9813565351161271
Energy: 0.9647727020132018
Energy: 0.9816390487672058
Energy: 0.9502566352002313
Energy: 0.9838865024155344
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Energy: 0.9447375524058822
Energy: 1.0135637077577035
Energy: 0.9517146162308777
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Energy: 0.981778598505356
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Energy: 0.9880616213499509
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Energy: 0.9714833755580177
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Energy: 0.9641251450089969
Energy: 0.9859987128592057
Energy: 0.9947051740493575
Energy: 0.9643318194070736
Energy: 0.9855795112349245
Energy: 0.9407335812922246
Energy: 0.9625767731426498
Energy: 0.9675925667878983
Energy: 0.9496349632101988
Energy: 1.0075120297874738
Energy: 1.010069085860719
Energy: 0.959775131284167
Energy: 0.955985265363353
Energy: 0.9596971596814841
Energy: 0.9545371862423343
Energy: 0.9618657413136391
Energy: 0.9600271763649177
Energy: 0.9699382645766782
Energy: 0.9710723510463608
Energy: 0.9672012107247703
Energy: 1.0146483703677265
Energy: 0.9302591830963215
Energy: 1.0088698858404184
Energy: 0.9848309555664839
Energy: 0.9934314296108959
Energy: 1.0243245183824154
Energy: 0.9760815887774908
Energy: 0.940406638871952
Energy: 0.9515871142213022
Energy: 0.9473017862606883
Energy: 0.9855672667436464
Energy: 0.9819163600647367
Energy: 0.9605883063756432
Energy: 1.0027146490591903
Energy: 0.9471209351475379
Energy: 0.9718890442248344
Energy: 0.9681503370464463
Energy: 1.0022399510668856
Energy: 1.00509610104417
Energy: 0.9671311675350004
Energy: 0.9514128642179644
Energy: 0.9589428389892798
Energy: 0.9436427796899844
Energy: 0.9764670309855314
Energy: 1.0255538194766862
Energy: 0.9672291029336436
Energy: 0.9907218519115198
Energy: 0.9893157242054922
Energy: 0.9443698147397925
Energy: 1.0069398912656258
Energy: 0.9344046805539917
Energy: 0.9909471560249947
Energy: 0.9421002379076027
Energy: 0.9710163706105117
Energy: 0.9871440118519861
Energy: 0.9290909377587891
Energy: 0.9832392292077455
Energy: 0.9145318323560345
Energy: 1.0107760670380164
Energy: 1.047461758924596
Energy: 0.9459135283167136
Energy: 0.9821922361260392
Energy: 0.9722580154313315
Energy: 0.9514149643259301
Energy: 0.9486963350242599
Energy: 0.9709395481852846
Energy: 0.9862837250571141
Energy: 0.9277423190002613
Energy: 1.0061974146635722
Energy: 0.9567280303702268
Energy: 0.9495543544008276
Energy: 0.9482503735529243
Energy: 0.9685040255857468
Energy: 1.0487857432656598
Energy: 0.985417698940268
Energy: 0.9970877564434991

minimum gb energy = 0.9145318323560345 eV
minimum distance =  2.50973727091152 Angstroms
sigma value = 401


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

Energy: 1.0762750166853359
Energy: 1.1306014885486764
Energy: 0.957232819998475
Energy: 0.9828920099336182
Energy: 0.9876020573541575
Energy: 1.0041557515795432
Energy: 1.017676190678247
Energy: 0.9616888530055971
Energy: 0.9576333999657648
Energy: 0.9707073691368036
Energy: 1.035391634237098
Energy: 0.9302069982342637
Energy: 0.9761432041201684
Energy: 1.01097518587104
Energy: 0.9573293664909855
Energy: 0.9764291466906085
Energy: 0.9810445193277351
Energy: 0.946695295008115
Energy: 0.9441544419236955
Energy: 0.9755263048006227
Energy: 1.0520515459345794
Energy: 0.9757645226605502
Energy: 1.0515392272881352
Energy: 0.9837697193879702
Energy: 0.99202142130362
Energy: 0.9457513224504669
Energy: 0.9775105354596093
Energy: 1.0215423185288368
Energy: 0.9385763512455089
Energy: 0.9710641545828107
Energy: 0.9528716716834542
Energy: 0.962039854465997
Energy: 0.9312999660654712
Energy: 0.9704250338556549
Energy: 1.0152693661207661
Energy: 0.9293608116976091
Energy: 1.006712330542931
Energy: 0.9693994735749843
Energy: 0.960895160558142
Energy: 0.9470797822664889
Energy: 0.9853813457489452
Energy: 1.1048085246186612
Energy: 0.971362363323444
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Energy: 0.9707790670207199
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Energy: 0.9264664945129594
Energy: 1.022087848530374
Energy: 1.010922916771952
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Energy: 0.9957960786625921
Energy: 0.95192962691522
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Energy: 1.0297196777482445
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Energy: 1.0922746780501729
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Energy: 1.0024455578954143
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Energy: 1.0456431672136817
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Energy: 0.9740605615732643
Energy: 0.9436674989882817
Energy: 0.9743315270405185
Energy: 0.964589314168781
Energy: 0.9750810329155839
Energy: 0.9800170309537863
Energy: 0.9674986397420758
Energy: 0.9733330402598966
Energy: 0.9435252179084238
Energy: 0.9732288898135116
Energy: 0.9847906212958165
Energy: 0.9904894361060075
Energy: 0.9784291690543944
Energy: 0.9822050539655125
Energy: 0.9720213537645698
Energy: 0.9453315217661257
Energy: 0.9874187712461905
Energy: 0.9812360542876001
Energy: 0.9723411959161127
Energy: 1.003715913982784
Energy: 0.9638902307471261
Energy: 0.9710657852406142
Energy: 0.9753425108884611
Energy: 0.9787892633531046
Energy: 0.9845526801689353
Energy: 0.9421408325672386
Energy: 0.9569184066878721
Energy: 0.9806577433115203
Energy: 0.996402191515406
Energy: 0.9270199438325694
Energy: 0.9748955394161227
Energy: 0.9647057215348471
Energy: 0.9487510788374054
Energy: 0.924807562658246
Energy: 0.9840431022794937
Energy: 1.0887691486282978
Energy: 0.9433398309279716
Energy: 0.9824391340902415
Energy: 0.9736140716912922
Energy: 0.9411508833666647
Energy: 0.9307283643822872
Energy: 0.9777804088899589
Energy: 0.9930233048712677
Energy: 0.9920144848408656
Energy: 1.0723437207157254
Energy: 0.9792761247279134
Energy: 0.9488228651174256
Energy: 0.9288266794296894
Energy: 0.9774578089828718
Energy: 1.0121477460304085
Energy: 0.9689071830738595
Energy: 1.0390013081658553
Energy: 0.9811809739812718
Energy: 0.9510443841078949
Energy: 0.9249558657872866
Energy: 1.0258451407070777
Energy: 1.0068048858396021
Energy: 0.9552334311266213
Energy: 0.9684830287137928
Energy: 1.0085277339846421
Energy: 1.031701867822473
Energy: 0.9462713896595857
Energy: 1.003511178684583
Energy: 0.9892718111459533
Energy: 0.9732495677308544
Energy: 0.9892020851024524
Energy: 0.9662673683192314
Energy: 0.9722734299640682
Energy: 0.9784685945475564
Energy: 0.9695837439257182
Energy: 1.0030415656140086
Energy: 0.9515358554042521
Energy: 0.9686742997098311
Energy: 1.0110642610125935
Energy: 1.0000280843092675
Energy: 0.9955305439777674
Energy: 0.9951864551956348
Energy: 0.9826584459465
Energy: 0.9509336073091105
Energy: 0.9789494917929652
Energy: 1.0160030426208237
Energy: 1.0468689261398099
Energy: 0.9707806458984611
Energy: 0.9832358786892622
Energy: 0.9828866170925217
Energy: 0.9614900587594993
Energy: 0.9901491067799476
Energy: 0.9605285357504718
Energy: 0.9732177774028733
Energy: 1.0136449010813997
Energy: 0.9769134200619006
Energy: 1.0056017104503174
Energy: 0.9753671761314698
Energy: 0.9741116554169036
Energy: 0.9621320795756949
Energy: 0.9740732864173097
Energy: 0.9569137871617093
Energy: 0.9600801934242704
Energy: 1.0199933294544687
Energy: 0.9394012856208533
Energy: 0.9901713297301846
Energy: 0.9664190430704629
Energy: 0.9761040572468409
Energy: 0.9455077261292797
Energy: 0.9779525477046819
Energy: 1.1488811531262009
Energy: 0.9525846953166965
Energy: 1.0121313043635887
Energy: 0.9687934981306923
Energy: 0.9768313951856459
Energy: 0.9282766259825456
Energy: 0.9771876718590846
Energy: 0.9964468815349297
Energy: 0.929511795342258
Energy: 1.0398867590105754
Energy: 0.9708219581596746
Energy: 0.9745962911796262
Energy: 0.9306392234831468
Energy: 0.9738976978368558
Energy: 1.0146621026814733
Energy: 0.9824516933719943
Energy: 1.0047535649483197
Energy: 0.9620937918344393
Energy: 0.9753228453772173
Energy: 0.9270311994892847
Energy: 0.98342224739405
Energy: 1.0305022221712743
Energy: 0.9554365035745068
Energy: 0.9897095256211393
Energy: 1.0172562651365835
Energy: 1.0500620016737938
Energy: 0.9842810502830077
Energy: 1.0042997567703318
Energy: 1.0075273148370398
Energy: 0.9661934336969605
Energy: 0.9727820242612538
Energy: 0.9648959108487202
Energy: 0.9476380474598879
Energy: 0.9768242167306628
Energy: 0.9685868503593849
Energy: 0.9951225475811106
Energy: 0.9587518958683069
Energy: 0.9566072084311363
Energy: 0.9887354241746656
Energy: 1.0348667897744372
Energy: 0.9293620664693888
Energy: 0.9547369384439274
Energy: 0.985800361655886

minimum gb energy = 0.9220110394699729 eV
minimum distance =  2.53138553592629 Angstroms
sigma value = 311


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

Energy: 1.0002160201037875
Energy: 1.0049673916634339
Energy: 0.9819029683817591
Energy: 1.0080967740215079
Energy: 0.9907067922770102
Energy: 1.0016060945740743
Energy: 1.0186318825827574
Energy: 1.0022982587190385
Energy: 0.962425264124795
Energy: 0.989642792801674
Energy: 0.9938005825617585
Energy: 0.9812434764119284
Energy: 0.9908334102059506
Energy: 1.0122269752205983
Energy: 0.9736613451265911
Energy: 0.9999365212753993
Energy: 0.9807853273950243
Energy: 1.0001302260886815
Energy: 0.9872923822273911
Energy: 0.9589249884590897
Energy: 0.9754231957767117
Energy: 1.0061729771171448
Energy: 1.0067833096630854
Energy: 1.0052135912446787
Energy: 1.036825932020623
Energy: 1.027929665923415
Energy: 1.0026380030204398
Energy: 1.0233842527743051
Energy: 0.9793115740120107
Energy: 0.957465630980498
Energy: 0.9758945656507244
Energy: 0.9829294571120643
Energy: 0.9700795153413828
Energy: 0.9887348031258282
Energy: 0.9781706518283368
Energy: 0.9977626193046927
Energy: 0.9870430538904409
Energy: 0.977069260837487
Energy: 0.9761457437071159
Energy: 0.9969579831371168
Energy: 0.9604776265941845
Energy: 0.9728662611602701
Energy: 1.0029168984010532
Energy: 1.0249287094032
Energy: 0.9904177891089118
Energy: 1.0165386655021782
Energy: 1.0395541622407694
Energy: 1.0055361038828396
Energy: 1.0050828032913812
Energy: 0.9873376954151852
Energy: 0.9907499648816016
Energy: 0.979395894050082
Energy: 0.9880810682405824
Energy: 1.0512598219155667
Energy: 0.9959910657935671
Energy: 1.0280357357826508
Energy: 1.0088956634719044
Energy: 1.0207047516416397
Energy: 0.9866469157100821
Energy: 0.9852986705038308
Energy: 0.9719733575528348
Energy: 0.9691120010577821
Energy: 0.9990955647493712
Energy: 1.007131370988321
Energy: 1.0488090218383275
Energy: 0.9950810919580216
Energy: 0.9988259258235583
Energy: 0.9703371999370358
Energy: 0.9923301471323174
Energy: 0.9999585494212584
Energy: 0.9921660839329436
Energy: 0.9854584724951491
Energy: 0.9694666175156124
Energy: 0.9746127397484363
Energy: 0.9980127108430291
Energy: 0.978173223958578
Energy: 0.981944747246503
Energy: 0.9726251301708031
Energy: 1.006976194469052
Energy: 0.9697701196279986
Energy: 0.9478722428263754
Energy: 0.9776411724138471
Energy: 0.9767487399942141
Energy: 0.9978995582566271
Energy: 0.9906083791636138
Energy: 1.0174807635718888
Energy: 0.9909742531692448
Energy: 1.014195919474915
Energy: 0.9807867866197768
Energy: 1.0017739125215481
Energy: 1.017633267967082
Energy: 0.982560807737626
Energy: 1.02573457498806
Energy: 1.002157180165987
Energy: 0.9893651554640015
Energy: 1.046472305473458
Energy: 0.9836315749446235
Energy: 1.0222853886178787
Energy: 1.0300768796421418
Energy: 1.009490998417183
Energy: 0.9798643462317677
Energy: 0.976700738219831
Energy: 0.9821518082838803
Energy: 0.9932663979055393
Energy: 1.0443859596506686
Energy: 1.013920768755852
Energy: 0.9497228569008362
Energy: 0.999904672062527
Energy: 0.9767508220419591
Energy: 0.9748126799452987
Energy: 0.9905392751753799
Energy: 0.988829493922377
Energy: 0.9734419948910863
Energy: 0.9714282153374488
Energy: 0.9926211481437784
Energy: 0.9782498043405283
Energy: 0.9763787894012141
Energy: 0.9822510473900637
Energy: 1.012664261474628
Energy: 0.9688807111648371
Energy: 0.9733383168210229
Energy: 0.971617797633064
Energy: 0.9631224856004206
Energy: 0.9943217155472661
Energy: 0.9641309395549775
Energy: 0.9775384113553315
Energy: 1.0227561138766694
Energy: 1.0265675131182266
Energy: 0.9814921663675962
Energy: 0.9949006569052329
Energy: 0.9901512553796807
Energy: 1.0005941285190438
Energy: 1.0142795219884955
Energy: 1.0026953824440776
Energy: 0.9859048191558032
Energy: 0.9844540708110449
Energy: 1.0305727967976164
Energy: 1.069164847664481
Energy: 0.9796453556768537
Energy: 1.052080623925451
Energy: 1.0026742220561538
Energy: 0.9760486949284186
Energy: 0.9967029966525393
Energy: 1.013678637163134
Energy: 1.0111233138926206
Energy: 1.0040530686994174
Energy: 1.0092523373659739
Energy: 1.005812689714634
Energy: 0.9863485681797552
Energy: 0.9893975600433481
Energy: 0.9752252980502577
Energy: 0.9969955189175731
Energy: 0.9806104637153026
Energy: 0.9692775243069062
Energy: 0.9903872335537922
Energy: 0.9470500160346926
Energy: 0.9749493206466052
Energy: 1.0180728447010745
Energy: 0.9993124667380693
Energy: 0.9891392474456341
Energy: 0.9851134505320798
Energy: 1.007900021199925
Energy: 0.9654625642068821
Energy: 0.997804261115734
Energy: 0.972633491419668
Energy: 0.993363252933465
Energy: 0.9632907973670675
Energy: 0.973810085430652
Energy: 1.0054743865337932
Energy: 0.9944541471756765
Energy: 0.9901929435916755
Energy: 1.0250933862946472
Energy: 0.9863331527177676
Energy: 1.0062694399860819
Energy: 0.9967861841780393
Energy: 0.9819906372565069
Energy: 1.0088744406615635
Energy: 0.9944853687177109
Energy: 1.0210841175169678
Energy: 1.0315953984538595
Energy: 0.9590667635813478
Energy: 1.0420051204994594
Energy: 1.0087750502626576
Energy: 1.0129043188743259
Energy: 1.0209213872378442
Energy: 1.0011520919263543
Energy: 1.0042395638463897
Energy: 1.0015351390645117
Energy: 1.0217197036929884
Energy: 0.9922596411197793
Energy: 1.0070904970705488
Energy: 0.9883354634599433
Energy: 0.9482639618072026
Energy: 0.9906499823167547
Energy: 0.9846022384755575
Energy: 0.9936826808529087
Energy: 0.9758907243399725
Energy: 1.0043868583786963
Energy: 0.9688180048967551
Energy: 1.0068662756228062
Energy: 0.9889747183644843
Energy: 0.9783674421615118
Energy: 0.9904322073568501
Energy: 1.0022689915086178
Energy: 1.062829224811453
Energy: 0.9953836789806039
Energy: 0.9844943242310918
Energy: 0.9819540792832709
Energy: 1.009125293944824
Energy: 1.0037161047485956
Energy: 1.0153243799035307
Energy: 1.0166382329911825
Energy: 0.9774584538907789
Energy: 1.0000524401893693
Energy: 0.9765147453845907
Energy: 0.9822698452490549
Energy: 1.002080233661917
Energy: 0.9929402776259428
Energy: 0.9935362817055463
Energy: 0.9969299385530435
Energy: 0.9799651546483584
Energy: 1.0544614774873096
Energy: 0.9749216917608632
Energy: 1.0534791765991467
Energy: 1.0358716058706465
Energy: 1.0096258522912858
Energy: 0.9957013295065378
Energy: 0.9758431780332826
Energy: 1.045805312231254
Energy: 0.9908408525657564
Energy: 1.0346797434794046
Energy: 0.9964840120514561
Energy: 0.9750995407461549
Energy: 1.002840387503444
Energy: 0.962957030862218
Energy: 0.9814391465304958
Energy: 0.9920137444836662
Energy: 0.9998813885777443
Energy: 1.013089178146531
Energy: 0.9631949489749663
Energy: 0.987731972784654
Energy: 0.9778693959224041
Energy: 0.9771067458194181
Energy: 0.9861634060222296
Energy: 1.0043833681617578
Energy: 0.991088364311137
Energy: 0.9632330988103596
Energy: 1.0000700872709345
Energy: 0.9790204139125179
Energy: 0.9876034257785786
Energy: 1.010941960623058
Energy: 1.0231629476584474

minimum gb energy = 0.9470500160346926 eV
minimum distance =  2.5111776407499 Angstroms
sigma value = 39


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

Energy: 0.9310829915197502
Energy: 1.0243997911254152
Energy: 1.3729833342517959
Energy: 1.150643512251895
Energy: 0.9697124626215228
Energy: 1.0370031798129595
Energy: 0.9195806058399285
Energy: 0.9816557126079877
Energy: 0.9977692485654012
Energy: 0.9407697200554714
Energy: 0.9826088945524678
Energy: 0.9912854936128183
Energy: 0.9787310195788081
Energy: 0.9733294040952423
Energy: 0.9783346512652561
Energy: 0.893642071718309
Energy: 0.9440862748001869
Energy: 0.9847124151305545
Energy: 0.9960902098222327
Energy: 0.9780423565043873
Energy: 1.024289139333941
Energy: 0.9779577284791751
Energy: 0.8917551059469523
Energy: 0.9426427128414152
Energy: 0.8905328345065767
Energy: 0.9944591285149563
Energy: 0.9418635943471413
Energy: 1.0473425892070538
Energy: 0.9963687450070637
Energy: 0.9898527217355902
Energy: 0.9952626982070698
Energy: 0.9430534352369976
Energy: 0.9942999631429316
Energy: 0.9430214399754528
Energy: 0.9783847055369084
Energy: 0.9186845968848616
Energy: 0.9916255795216687
Energy: 0.9410958821199349
Energy: 0.8908452413804847
Energy: 0.9897308048869418
Energy: 0.977781473217747
Energy: 0.9817018233359012
Energy: 0.978886751166
Energy: 0.9669079870982727
Energy: 0.9404337252535613
Energy: 0.9936783352652465
Energy: 0.9202163276111721
Energy: 0.9215169937182661
Energy: 1.0127745756151347
Energy: 0.9207083798639688
Energy: 0.9906818772939017
Energy: 1.0465990244049594
Energy: 0.8946361020441709
Energy: 1.0452133335415374
Energy: 0.9419284318085819
Energy: 1.0130078528728912
Energy: 0.9208701889808927
Energy: 0.9907339858468409
Energy: 1.0430793153898605
Energy: 0.8911969726690875
Energy: 0.9906041396253946
Energy: 0.9509242724219061
Energy: 0.982239327003507
Energy: 0.9786528187359196
Energy: 0.8905897817068842
Energy: 0.9407995574598386
Energy: 0.9828521281494352
Energy: 0.9901720655589011
Energy: 0.9770596177749966
Energy: 0.9781283641892875
Energy: 0.9780159064845508
Energy: 0.9573951743372364
Energy: 0.94459847920341
Energy: 0.8918764199426246
Energy: 0.9981997370034987
Energy: 0.9829832126177916
Energy: 1.032133654171073
Energy: 0.9986206044409102
Energy: 0.9925327455622898
Energy: 0.8903160156646125
Energy: 0.8930959730144133
Energy: 0.9826653072969278
Energy: 0.9423261130895173
Energy: 0.9813724859293679
Energy: 0.9206718577653348
Energy: 0.9231720590430728
Energy: 1.0461668477513004
Energy: 0.9477854804146022
Energy: 0.9952926200327791
Energy: 0.9041394582597357
Energy: 0.977763570833267
Energy: 0.978089213109688
Energy: 0.8943444980474478
Energy: 0.9403142860696928
Energy: 0.9915379031666799
Energy: 0.920614782498362
Energy: 0.9202430299554889
Energy: 0.9726132144011911
Energy: 0.9186079179351505
Energy: 0.961008348666327
Energy: 0.9402451498699429
Energy: 0.9918347282282346
Energy: 0.9192860642478737
Energy: 0.9199367328616908
Energy: 0.9730030308898486
Energy: 0.9192321622482346
Energy: 1.0214061055233976
Energy: 1.0455368134166856
Energy: 0.9446645689047143
Energy: 0.9761129616631112
Energy: 1.0371863276905344
Energy: 0.9192225514271245
Energy: 0.9816852593010351
Energy: 0.9978582947046118
Energy: 0.9410493940060002
Energy: 0.9827701557858354
Energy: 0.9925564831693041
Energy: 0.9788188712069786
Energy: 0.9732799261882104
Energy: 0.9782060734998846
Energy: 0.8922140784605954
Energy: 0.9438581000589896
Energy: 0.9824349393564091
Energy: 0.995242450255528
Energy: 0.9782653517433388
Energy: 1.024165303452501
Energy: 0.9779322467919036
Energy: 0.8916503151158993
Energy: 0.9425960673700118
Energy: 0.8904948494822683
Energy: 0.9944323666295453
Energy: 0.9422708815340213
Energy: 1.046223706388068
Energy: 0.9971195192378576
Energy: 0.9217764092488941
Energy: 0.9957818536200065
Energy: 0.9423795441597511
Energy: 0.9941918944316666
Energy: 0.9444038943802616
Energy: 0.9781753858622739
Energy: 0.9187974266920278
Energy: 0.9920406233228493
Energy: 0.9410827399888886
Energy: 0.8908633411377022
Energy: 0.9895842505458333
Energy: 0.9192463617027542
Energy: 0.9813654441071439
Energy: 0.9788105661381576
Energy: 0.9624171123297529
Energy: 0.9405787761065394
Energy: 0.993483342126476
Energy: 0.9202727112290056
Energy: 0.9215976522237693
Energy: 1.0134415054213055
Energy: 0.9204223157357312
Energy: 0.990720384373816
Energy: 1.0464021643768349
Energy: 0.894120300474971
Energy: 1.0444679328296638
Energy: 0.9417592093367942
Energy: 1.0133037093493857
Energy: 0.9208481262673638
Energy: 0.9907799378816137
Energy: 1.04279197555306
Energy: 0.8920545045767866
Energy: 0.99050584850241
Energy: 0.9513695616213228
Energy: 0.9821857057860497
Energy: 0.9787815095302216
Energy: 0.9552932472244768
Energy: 0.9407255512809972
Energy: 0.9831248394267054
Energy: 0.9900365412121009
Energy: 0.9770758297103243
Energy: 0.9777884566331508
Energy: 0.9780382564640506
Energy: 0.9573230357169332
Energy: 0.9447989769045854
Energy: 0.8920824131009069
Energy: 0.9983830732092697
Energy: 0.9406336228738124
Energy: 1.032125530018967
Energy: 0.998421223455332
Energy: 0.9923609526905735
Energy: 0.894463389953112
Energy: 0.8929974197796968
Energy: 0.9826509832169444
Energy: 0.9411535055706511
Energy: 0.9813925489768773
Energy: 0.9202871085175687
Energy: 0.9231761182319459
Energy: 1.0463987901937317
Energy: 0.9480090289595803
Energy: 0.9953701108648021
Energy: 0.9512340169400982
Energy: 0.9778180029617811
Energy: 0.9777877949699708
Energy: 0.8917241912775821
Energy: 0.9404783399270994
Energy: 0.9920181840854139
Energy: 0.9203758665195181
Energy: 0.9201034888997085
Energy: 0.9733272354569731
Energy: 0.9186478430247337
Energy: 0.9612957334210336
Energy: 0.9402347616160852
Energy: 0.890392686844266
Energy: 0.9192269668494744
Energy: 0.9199301798679447
Energy: 0.9730770403377483

minimum gb energy = 0.8903160156646125 eV
minimum distance =  2.57199604852397 Angstroms
sigma value = 21


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

Energy: 1.1873540132033558
Energy: 1.107126456786079
Energy: 0.9305006787508394
Energy: 1.18753093198649
Energy: 0.9579724149836913
Energy: 0.9601671074670631
Energy: 1.1283525205881164
Energy: 0.9960703009300349
Energy: 0.9853865784762307
Energy: 1.0421266075366278
Energy: 0.9214880628933565
Energy: 0.8858939900744561
Energy: 0.9350755609133029
Energy: 0.951643478661398
Energy: 0.9943918633983136
Energy: 0.9515030942980941
Energy: 0.959564846996541
Energy: 0.9876726037226455
Energy: 0.9428856055526201
Energy: 0.9491667842902105
Energy: 0.9577844896131572
Energy: 1.0275938191553333
Energy: 0.9400776821904172
Energy: 0.9840972707817685
Energy: 0.9853801313445395
Energy: 0.9883932513898919
Energy: 0.9573093126179153
Energy: 0.9337618380274809
Energy: 0.9344043243249861
Energy: 0.922312550209741
Energy: 0.9814801782480485
Energy: 0.9076886374110491
Energy: 0.9110692733064969
Energy: 0.9562200934059067
Energy: 0.9524524112865055
Energy: 0.910341925924665
Energy: 0.8847596422467905
Energy: 1.0065958753529824
Energy: 0.9400343961523002
Energy: 0.8608253872910426
Energy: 0.9459752839247979
Energy: 0.934623164358428
Energy: 1.0361774617360004
Energy: 0.9032850165010494
Energy: 0.9579506377317445
Energy: 0.9615167950942152
Energy: 0.9100924495506364
Energy: 0.9108211438311258
Energy: 0.9339058508332726
Energy: 0.9303285943404835
Energy: 0.9092797235897859
Energy: 0.9838382676696722
Energy: 0.9827269274632373
Energy: 0.9536203907417992
Energy: 0.9346385987258287
Energy: 0.9381256430074381
Energy: 0.9733346384224015
Energy: 0.9168050248878786
Energy: 1.0024537855196392
Energy: 0.9858117012467814
Energy: 0.8657262670998743
Energy: 0.953944356328833
Energy: 0.9496224133929613
Energy: 1.149055640251875
Energy: 0.9749446479578341
Energy: 0.9342610205439672
Energy: 0.9636593590602535
Energy: 0.9573344873135521
Energy: 0.8887878415958249
Energy: 1.0368457843356809
Energy: 0.9950781610889505
Energy: 0.9488551007065941
Energy: 0.9661436068586975
Energy: 0.989981149501021
Energy: 0.9099087533270769
Energy: 0.9100653492974896
Energy: 0.9589428306384716
Energy: 0.9573056575616764
Energy: 0.978444292111535
Energy: 1.0601032637196848
Energy: 0.8914937293717297
Energy: 1.0098533508302503
Energy: 1.0946097475397862
Energy: 0.9458378648046324
Energy: 1.0943675671405413
Energy: 0.9443815146141448
Energy: 0.9302180044143122
Energy: 1.0605928481360603
Energy: 0.9898549166838126
Energy: 0.9278424722694697
Energy: 0.9101615675289328
Energy: 0.9094614433124234
Energy: 0.9425328623847857
Energy: 0.9735728640054733
Energy: 0.9878086260449174
Energy: 0.9383344951190643
Energy: 0.9543390451388334
Energy: 0.9519251601752677
Energy: 0.9579512176404116
Energy: 0.9868690239468406
Energy: 0.9670839523162069
Energy: 0.8517118236441862
Energy: 0.9897045006841096
Energy: 1.0365749814435095
Energy: 0.9316779314935473
Energy: 1.0066851721126429
Energy: 0.8658970963514255
Energy: 0.9552927199901876
Energy: 0.9510173510669847
Energy: 0.9477537406101091
Energy: 0.9496804023342476
Energy: 0.9520535418629485
Energy: 0.9343645084553787
Energy: 0.9417409605078407
Energy: 0.9602818464360714
Energy: 0.9096906491673538
Energy: 0.8360057882306828
Energy: 0.9412345018199857
Energy: 0.9954679604248932
Energy: 0.9113280911366833
Energy: 0.878317412363283
Energy: 0.9720877684021432
Energy: 0.9052892422075062
Energy: 0.9434359100402391
Energy: 0.9445268111584855
Energy: 0.926883228366746
Energy: 1.110109414584875
Energy: 0.9067962375537809
Energy: 0.983995218268097
Energy: 0.9016306018362709
Energy: 0.9101770781375832
Energy: 0.9108128938245692
Energy: 0.9345386826294374
Energy: 1.1836817289033845
Energy: 0.9104199501312183
Energy: 0.9494927291398204
Energy: 0.9817760016341172
Energy: 0.9662217209828452
Energy: 0.9341190199861865
Energy: 0.9476692702909525
Energy: 0.9580985666761432
Energy: 0.878569956776841
Energy: 1.00534850193717
Energy: 0.9836155069601965
Energy: 0.9424468180078609
Energy: 0.9501850726656017
Energy: 0.9676218100094169
Energy: 1.0269621115473466
Energy: 0.9133351174485876
Energy: 0.9811761995431014
Energy: 0.9753993473625637
Energy: 0.8814780436568557
Energy: 0.9404290313507714
Energy: 0.9859399469112742
Energy: 0.8786698315129695
Energy: 0.9067398152830782
Energy: 0.9279515095815278
Energy: 0.9615055215951673
Energy: 0.9570532999038992
Energy: 0.9534084472510796
Energy: 0.9349533485429943
Energy: 0.9578395248109838
Energy: 0.98696367630592
Energy: 0.895183855276018
Energy: 0.9515129709066134
Energy: 1.094813986567539
Energy: 1.0947775747786868
Energy: 0.9441564032691455
Energy: 0.9094565592516904
Energy: 0.9781588318444353
Energy: 0.9263252668004122
Energy: 0.992431555337018
Energy: 1.003159589507771
Energy: 0.9533675104149756
Energy: 0.9590567606740215

minimum gb energy = 0.8360057882306828 eV
minimum distance =  2.55176460638811 Angstroms
sigma value = 113


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

Energy: 1.1517086705286539
Energy: 1.2316184395762522
Energy: 0.9691758812868905
Energy: 0.8822667204938729
Energy: 0.9262556500062731
Energy: 0.9388885724151526
Energy: 1.041980578437299
Energy: 0.9503928034334502
Energy: 0.9748195784157472
Energy: 0.8916289433498615
Energy: 0.9570582177756576
Energy: 0.8739315536386463
Energy: 0.877590378407481
Energy: 0.8842924371402594
Energy: 1.039254097180735
Energy: 0.9123983465488082
Energy: 1.003343552636457
Energy: 0.8794799442947355
Energy: 0.8703485590611375
Energy: 0.963956236901183
Energy: 0.916809546127985
Energy: 0.8844867036552733
Energy: 0.9621348951214969
Energy: 0.8833622605100205
Energy: 0.8957550182357894
Energy: 0.8878430276725763
Energy: 0.8832392633695553
Energy: 0.9902096016140567
Energy: 0.8700133215290973
Energy: 0.9491886210798253
Energy: 0.8871625191646499
Energy: 0.9119766125787965
Energy: 0.9273124713017866
Energy: 0.8974481824310696
Energy: 1.0332291231353574
Energy: 0.9870675229392091
Energy: 0.9631031971821497
Energy: 0.9613049411297178
Energy: 0.8757705724107673
Energy: 0.9360570138392416
Energy: 0.92551710750779
Energy: 0.9152171853797102
Energy: 0.9792428365268723
Energy: 0.9289839167213946
Energy: 0.943906423892411
Energy: 0.9205205174488609
Energy: 0.8751733004895867
Energy: 0.9121643920504816
Energy: 0.992219950875449
Energy: 0.8885781442851309
Energy: 0.9123705998137439
Energy: 0.8904476129341584
Energy: 0.8833545200501772
Energy: 0.8992998272505537
Energy: 0.8809056040610748
Energy: 0.8548893996966799
Energy: 0.8899652713041581
Energy: 0.9234429346493359
Energy: 1.0188357682564357
Energy: 0.865422397331793
Energy: 0.8756396931066759
Energy: 1.0277733604152517
Energy: 0.9124060641638104
Energy: 1.0012602754189999
Energy: 0.9411586676792825
Energy: 0.9407650638191832
Energy: 0.8833493664571774
Energy: 0.9179649314768364
Energy: 0.925554230777667
Energy: 0.8567532285748797
Energy: 1.0019364851316033
Energy: 0.8832655425093536
Energy: 0.9556446458718152
Energy: 0.8826747903322558
Energy: 0.9342478306723475
Energy: 0.8946539070222063
Energy: 0.933338711154645
Energy: 0.9483152159654048
Energy: 0.8926591910586306
Energy: 1.0703275562995147
Energy: 0.9102795598539745
Energy: 0.9380982477616988
Energy: 1.132592924138861
Energy: 0.9568612841883096
Energy: 0.9366115056361356
Energy: 0.9009527984061937
Energy: 0.9492085784724066
Energy: 0.8964993872124233
Energy: 0.9159133170079639
Energy: 0.8730767787433271
Energy: 0.8879379188518365
Energy: 1.0070995076107505
Energy: 0.9414202249705007
Energy: 0.9389528924600659
Energy: 0.9272512915089752
Energy: 0.9180573324492686
Energy: 0.939440284549331
Energy: 0.8689868976921505
Energy: 0.9351339106126225
Energy: 0.9352045434289014
Energy: 1.0238197809830398
Energy: 0.8839233780221615
Energy: 0.8662806701547923
Energy: 1.010904064873292
Energy: 0.8957353696314638
Energy: 0.871206181292647
Energy: 0.8734974228229319
Energy: 0.875118986378129
Energy: 0.9720825848176744
Energy: 0.893714225740263
Energy: 0.8998457744014551
Energy: 0.9799193514141542
Energy: 0.895987462035733
Energy: 0.9854575774568024
Energy: 0.9151803196105817
Energy: 0.8898419304162499
Energy: 0.8753523960190338
Energy: 0.8743423343663451
Energy: 1.0204916915228968
Energy: 0.9360748304611116
Energy: 0.9330808505134042
Energy: 0.923821081645172
Energy: 0.8803953819969345
Energy: 0.9881749523988222
Energy: 0.9370480797871665
Energy: 0.9312703584323533
Energy: 0.949541190460082
Energy: 0.986214779212627
Energy: 0.9811672137047098
Energy: 0.9689975356700194
Energy: 0.9125620641273705
Energy: 0.8934285093289449
Energy: 1.0095464454178684
Energy: 0.9382882906813043
Energy: 0.8702150428382841
Energy: 0.8937565137643234
Energy: 0.8882792000525068
Energy: 0.9877101647472519
Energy: 0.940575181890398
Energy: 0.8977901895204554
Energy: 0.954013875943146
Energy: 0.8957145739251395
Energy: 0.894846307749871
Energy: 0.8805478364609719
Energy: 0.8717924565305246
Energy: 0.8677348830822804
Energy: 0.8826688081084857
Energy: 1.0133757263622651
Energy: 0.8954287719569682
Energy: 0.9730757113444944
Energy: 0.9136154229552764
Energy: 0.8725164918703215
Energy: 0.8687807458879386
Energy: 0.8846077634757651
Energy: 0.8655032587097229
Energy: 0.9259319481402783
Energy: 0.9695414110197768
Energy: 1.0160546194882973
Energy: 0.9670664513696194
Energy: 0.938981847994726
Energy: 0.8740243760135519
Energy: 0.8687499291701318
Energy: 0.9753977588522099
Energy: 0.876103634523012
Energy: 0.9759760716735331
Energy: 0.8737258714060573
Energy: 0.8789122223478119
Energy: 0.884138852686746
Energy: 0.8990041598406752
Energy: 0.9119411893594469
Energy: 1.0247417707584856
Energy: 0.8779261421677156
Energy: 0.8767744293600329
Energy: 0.9360083629910543
Energy: 0.916348981128261
Energy: 0.8861532120954247
Energy: 0.887227661464956
Energy: 0.8835426820357549
Energy: 0.898414009027952
Energy: 0.9309065316240914
Energy: 0.8835469695983857
Energy: 0.9815940756128925
Energy: 0.8850635094371679
Energy: 0.9084893302544863
Energy: 0.886539904167286
Energy: 0.9118143267630886
Energy: 0.9179977085087495
Energy: 0.900079679327301
Energy: 1.0333273263803824
Energy: 0.9892198629253565
Energy: 0.9637313527091922
Energy: 1.0952371386144975
Energy: 0.8769693882485073
Energy: 0.9277013814198858
Energy: 0.9249625229252028
Energy: 0.866662111514431
Energy: 0.9584344486275034
Energy: 0.9290646800341044
Energy: 0.9390362599560361
Energy: 0.9015584728124841
Energy: 0.8730304782055122
Energy: 0.9127848200405329
Energy: 0.9402272272712819
Energy: 0.886997585308801
Energy: 0.912426104273474
Energy: 0.900379099304623
Energy: 0.9007217568051593
Energy: 0.9300656178530141
Energy: 0.8740528836481244
Energy: 0.9590473007297499
Energy: 0.8894373530805219
Energy: 0.9566686033037772
Energy: 1.0198984120820218
Energy: 0.907714485422855
Energy: 0.9147635247525823
Energy: 1.0717643881197805
Energy: 0.9164927131693625
Energy: 0.9460138378737425
Energy: 0.9413519418152135
Energy: 0.9949639486141422
Energy: 0.88324011774221
Energy: 0.9186229472939608
Energy: 0.9778143470008495
Energy: 0.8569121354873903
Energy: 1.0015534227375122
Energy: 0.8831205446962679
Energy: 0.9509532246793106
Energy: 0.8551394430517838
Energy: 0.8926686827058125
Energy: 0.9608371726281377
Energy: 0.8817606302722661
Energy: 0.9479687139538147
Energy: 0.8920778089447807
Energy: 1.070469690972811
Energy: 0.9101289589439941
Energy: 0.9425017869908036
Energy: 0.9439913638857939
Energy: 0.891711994809583
Energy: 0.9385422504074226
Energy: 0.8997968059521732
Energy: 0.9001839080058432
Energy: 0.8971395205947749
Energy: 0.9509967410972513
Energy: 0.9151717258999243
Energy: 0.8864889102641652
Energy: 1.071928019115789
Energy: 0.9416809761131912
Energy: 0.9382711364656564
Energy: 0.9499338102426088
Energy: 0.8942337273355206
Energy: 0.9391454803452229
Energy: 0.9458459018865768
Energy: 0.9308514662250111
Energy: 0.940129836756492
Energy: 1.090521540469137
Energy: 0.8841258210898197
Energy: 0.8662990377140631
Energy: 1.011283883473524
Energy: 0.8742881764191134
Energy: 0.868857706226789
Energy: 0.8740046370043306
Energy: 0.8713255589018769
Energy: 0.9357448857422659
Energy: 0.894675242018707
Energy: 0.9013620835938485
Energy: 0.9790299028810258
Energy: 0.890848241335187
Energy: 0.97498703701671
Energy: 0.9581886785297324
Energy: 0.8883919416454652
Energy: 0.8778706624145225
Energy: 0.9405517803616495
Energy: 1.026626172770026
Energy: 0.9360041024899084
Energy: 0.9242085522875964
Energy: 1.0070171011560263
Energy: 0.8803190760538395
Energy: 0.941052551580022
Energy: 0.9373272165984106
Energy: 0.931970539066035
Energy: 0.9945825038186433
Energy: 0.9732560632670154
Energy: 0.9311542388921226
Energy: 0.9695172990018692
Energy: 0.9147757839198958
Energy: 0.8898480702764631
Energy: 1.0086137508044684
Energy: 0.9375250815311885
Energy: 0.8723992150320586
Energy: 0.8929436992112302
Energy: 1.004377875695324
Energy: 0.9274468539936583
Energy: 0.8739424365443533
Energy: 0.8832440380250569
Energy: 0.9696420834728902
Energy: 0.9936365919900074
Energy: 0.8930408851280132
Energy: 0.9212543775526267
Energy: 0.8729255130474037
Energy: 0.8690521812873264
Energy: 0.8832781885198748
Energy: 1.0490379743036289
Energy: 0.8968773606663168
Energy: 0.9721589487952911
Energy: 0.8798431189654877
Energy: 0.8717221344837993
Energy: 0.8674809235178634
Energy: 0.8832079719229169
Energy: 0.8654804025461659
Energy: 0.9069793763668513
Energy: 0.9692288936259291
Energy: 0.910400860129002
Energy: 0.9573756809154862
Energy: 0.8788369591878739
Energy: 0.8742911536172396

minimum gb energy = 0.8548893996966799 eV
minimum distance =  2.53110783000271 Angstroms
sigma value = 365


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

Energy: 0.9167793630005369
Energy: 1.1573516175990055
Energy: 0.7791457155015906
Energy: 0.7788382389471364
Energy: 0.7788329518068828
Energy: 0.779211998121193
Energy: 0.7786167785219943
Energy: 0.7779534578641238
Energy: 0.9349654501804041
Energy: 0.7780663179349797
Energy: 0.777258854513335
Energy: 0.781810033892323
Energy: 0.7777968063161705
Energy: 0.9349285220367899
Energy: 0.9200401756930225
Energy: 0.9340608601390994
Energy: 0.7772846075369086
Energy: 0.7796917152565594
Energy: 0.7804269605728615
Energy: 0.7803347018617682
Energy: 0.7803589601058856
Energy: 0.9192018651653521
Energy: 0.9345538699705567
Energy: 0.7799702356166697
Energy: 0.7801119015466139
Energy: 0.7792990009780055
Energy: 0.7804544245376683
Energy: 0.7791560640005826
Energy: 0.8703882577266584
Energy: 0.9355510674276216
Energy: 0.7872171583804082
Energy: 0.935298031098917
Energy: 0.7780336216001222
Energy: 0.7862061148315376
Energy: 0.9355352886866453
Energy: 0.9170913637577126
Energy: 0.9353802865742292
Energy: 0.7794669818034675
Energy: 0.7788196189329654
Energy: 0.7791894384118563
Energy: 0.7791290322252662
Energy: 0.778517480777273
Energy: 0.8378844071984223
Energy: 0.9342905540428564
Energy: 0.7810579410766948
Energy: 0.7773471879643478
Energy: 0.780974114020359
Energy: 0.7774466959363796
Energy: 0.9346152305753705
Energy: 0.9193894303296297
Energy: 0.9338778498105157
Energy: 0.7775021591471579
Energy: 0.7802323412311496
Energy: 0.7809454036055901
Energy: 0.7809565379290385
Energy: 0.9339006193054328
Energy: 0.9176648539718973
Energy: 0.9348838865763945
Energy: 0.7792929713011555
Energy: 0.7795819040643355
Energy: 0.7790097709567353
Energy: 0.7796675919577791
Energy: 0.7786700440703831
Energy: 0.7869499232658553
Energy: 0.9348612899072488
Energy: 0.7858137345520901
Energy: 0.9335792176890501
Energy: 0.9350246384679473
Energy: 0.7859668487194506
Energy: 0.9350466231588347
Energy: 0.9181973692824854
Energy: 0.934972030755894
Energy: 0.7799758484434532
Energy: 0.7788735202091445
Energy: 0.7797464072236434
Energy: 0.7792736741305334
Energy: 0.7793389060552341
Energy: 0.918955212130488
Energy: 0.9339765614223994
Energy: 0.7806678057786833
Energy: 0.7805185275734013
Energy: 0.7801754155705428
Energy: 0.7774461111142147
Energy: 0.9339439657587939
Energy: 0.7783994847274162
Energy: 0.9344282396552013
Energy: 0.7778759927905735
Energy: 0.7809171961557143
Energy: 0.7771452824378654
Energy: 0.7774446317867859
Energy: 0.9341246027254505
Energy: 0.9168835387959583
Energy: 0.9358141867011219
Energy: 0.7790919421247375
Energy: 0.779077682562213
Energy: 0.7787463015292129
Energy: 0.7793327852676651
Energy: 0.7786404293019469
Energy: 0.7859203863652164
Energy: 0.9355477490611389
Energy: 0.7866603535553824
Energy: 0.7774697803006788
Energy: 0.7776765041860697
Energy: 0.7782096444217916
Energy: 0.9352875385224552
Energy: 0.9193804044506794
Energy: 0.9342945026234881
Energy: 0.780758380179919
Energy: 0.7793694001450856
Energy: 0.7802616526555449
Energy: 0.7798848436276979
Energy: 0.7798933380088153
Energy: 0.9198054168990886
Energy: 0.9342764072840236
Energy: 0.7804893530011336
Energy: 0.779944596331297
Energy: 0.7797598629574687
Energy: 0.7784674752728201
Energy: 0.779432835736385
Energy: 0.7863387885959477
Energy: 0.9353751495457926
Energy: 0.7781155227160943
Energy: 0.7773826163401625
Energy: 0.7775394582462034
Energy: 0.777962195387264
Energy: 0.9353078062348851
Energy: 0.9167503763090257
Energy: 0.9352687826638343
Energy: 0.7792163225561973
Energy: 0.7786771394675305
Energy: 0.7788864167213272
Energy: 0.779130347981532
Energy: 0.7788310845854751
Energy: 0.7769077945887632
Energy: 0.9343451785871991
Energy: 0.7780779159945216
Energy: 0.7771702731908179
Energy: 0.7772934458682677
Energy: 0.7776426978511352
Energy: 0.9347237701471997

minimum gb energy = 0.7769077945887632 eV
minimum distance =  2.67104475171726 Angstroms
sigma value = 23