Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850243076682091
cohesive_energy=4.290676325982293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.70678274643386e-19, 2.7031763951184596e-19, 3.4023182128970396e-19, 3.9109932724257e-19, 4.33782914948964e-19, 4.702772943182159e-19, 5.01852991421088e-19, 5.29378385993208e-19, 5.53486337805006e-19, 5.7465269331678e-19, 5.93247555330984e-19, 6.095673265249079e-19, 6.23850731217018e-19, 6.36299643663198e-19, 6.4707908805675e-19, 6.56333260294734e-19, 6.641839258013339e-19, 6.707384304110279e-19, 6.760864960153199e-19, 6.803130379758119e-19, 6.834885520644e-19, 6.85681931876346e-19, 6.86968479713448e-19, 6.873882499915559e-19, 6.8693483400413395e-19, 6.85472046737292e-19, 6.82822046584656e-19, 6.78781357113708e-19, 6.731080496527139e-19, 6.655105280542859e-19, 6.556443243421139e-19, 6.430864638848219e-19, 6.27329056689432e-19, 6.07750458221952e-19, 5.83591236757866e-19, 5.53910914613016e-19, 5.1754310719785e-19, 4.73017016362356e-19, 4.18474117211094e-19, 3.51539983972476e-19, 2.6913202880268595e-19, 1.67222379643848e-19, 4.0439418895150196e-20, -1.1846574140627699e-19, -3.19680701605386e-19, -5.78400184463706e-19, -9.1846377720684e-19, -1.3793763490993258e-18, -2.03101523185644e-18, -3.0073656508496995e-18, -4.594609998620819e-18, -7.47873622278324e-18, -1.352736958205808e-17, -2.85706546081416e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013310522948881787
Energy: 0.21165622310726367
Energy: 0.21050629214283903
Energy: 0.210533367755879
Energy: 0.21168510412241492
Energy: 0.013593591190761388
Energy: 0.21165622310726367
Energy: 1.0977504268849851
Energy: 0.21062543241006831
Energy: 0.21058763236230163
Energy: 0.21065122243893253
Energy: 0.2105570727998424
Energy: 0.21050629214283903
Energy: 0.21062543241006831
Energy: 1.099432724510151
Energy: 0.013567308835166197
Energy: 0.21060731653603648
Energy: 0.2105194526433854
Energy: 0.210533367755879
Energy: 0.21058763236230163
Energy: 0.013567308835166197
Energy: 0.013503422134081672
Energy: 0.21116228761199773
Energy: 0.21059254926537052
Energy: 0.21168510412241492
Energy: 0.21065122243893253
Energy: 0.21060731653603648
Energy: 0.21116228761199773
Energy: 1.0974763652614385
Energy: 0.21052435118984647
Energy: 0.013593591190761388
Energy: 0.2105570727998424
Energy: 0.2105194526433854
Energy: 0.21059254926587498
Energy: 0.21052435119035096
Energy: 0.013492669222965499

minimum gb energy = 0.013310522948881787 eV
minimum distance =  2.4672632025416 Angstroms
sigma value = 1


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

Energy: 1.188572670332322
Energy: 1.2010195844515994
Energy: 1.202140731748457
Energy: 1.2164533298076086
Energy: 1.2014688797308317
Energy: 1.1990990778636847
Energy: 1.2465864663913793
Energy: 1.224398789044731
Energy: 1.1966366303000342
Energy: 1.1691629802674477
Energy: 1.1965592538567584
Energy: 1.1967557716265618
Energy: 1.1709548723588443
Energy: 1.1980730373581003
Energy: 1.2255276432381998
Energy: 1.2082991538458994
Energy: 1.1995361152309154
Energy: 1.1980924668178812
Energy: 1.2084739284757542
Energy: 1.1959252402539537
Energy: 1.2131682747006296
Energy: 1.2639616719636846
Energy: 1.1956607972746256
Energy: 1.1979117587060755
Energy: 1.243327765143057
Energy: 1.1958772994174647
Energy: 1.197449176483925
Energy: 1.2448090935876661
Energy: 1.1976713839392559
Energy: 1.1974265138551015
Energy: 1.2099646167297264
Energy: 1.210678385037054
Energy: 1.211734585550464
Energy: 1.2169999841650532
Energy: 1.2114207641940336
Energy: 1.2107456848979374
Energy: 1.210526694806752
Energy: 1.2104773631231922
Energy: 1.2114528038753865
Energy: 1.264539582981699
Energy: 1.211085758540275
Energy: 1.2108460587833627
Energy: 1.168915194721574
Energy: 1.1693787079007207
Energy: 1.2033543280923478
Energy: 1.1717336689681834
Energy: 1.2117823972026613
Energy: 1.169141822333657
Energy: 1.1666160833112547
Energy: 1.2111479369898566
Energy: 1.2117668949917977
Energy: 1.2150980317949789
Energy: 1.2115797869293077
Energy: 1.2699367724203874
Energy: 1.1702913316091157
Energy: 1.2106187057803373
Energy: 1.2117667451268894
Energy: 1.1984465706064924
Energy: 1.2115376536372782
Energy: 1.209484137847666
Energy: 1.1701055576796855
Energy: 1.2451506873195441
Energy: 1.1965184921585785
Energy: 1.1699158201803666
Energy: 1.1958618547696531
Energy: 1.1692544760697512
Energy: 1.208066252048023
Energy: 1.1963935504417338
Energy: 1.1984537085601439
Energy: 1.250378448213787
Energy: 1.1965035869081362
Energy: 1.1965126384874503
Energy: 1.2152133802810592
Energy: 1.196532682228536
Energy: 1.1984347450073003
Energy: 1.250233789050845
Energy: 1.1964106667712744
Energy: 1.1967618749292457
Energy: 1.1691696832385745
Energy: 1.1969154245425906
Energy: 1.1961913847404508
Energy: 1.1704390452187434
Energy: 1.1964315609108902
Energy: 1.1986901130131564
Energy: 1.2083607037958073
Energy: 1.1955933077909089
Energy: 1.1958858582589507
Energy: 1.196513167845583
Energy: 1.1955196913197383
Energy: 1.2131299190705263
Energy: 1.2081125139747315
Energy: 1.1991075772115471
Energy: 1.1977554898350418
Energy: 1.2117250409394527
Energy: 1.1973983372857022
Energy: 1.247933990288618
Energy: 1.1738024256294275
Energy: 1.1964120365893252
Energy: 1.1712569753068964
Energy: 1.16907522481614
Energy: 1.210562277364324
Energy: 1.1979348000160104
Energy: 1.215136302482481
Energy: 1.211350781562134
Energy: 1.210939587522141
Energy: 1.2111009609120875
Energy: 1.2108054597883684
Energy: 1.2116505759074272
Energy: 1.21737436671107
Energy: 1.2117436311846161
Energy: 1.2291503214386916
Energy: 1.210751275954672
Energy: 1.2107681565092647
Energy: 1.2112559471326092
Energy: 1.2425971116456345
Energy: 1.2117962470967363
Energy: 1.1704795074359349
Energy: 1.2166613343413468
Energy: 1.2104523470443525
Energy: 1.1970763032841742
Energy: 1.2153741730919596
Energy: 1.2114539812813876
Energy: 1.209362353663372
Energy: 1.209373732243002
Energy: 1.2106095876874412
Energy: 1.2117357095603472
Energy: 1.1684261700165786
Energy: 1.2116141697349676
Energy: 1.2108321229732315
Energy: 1.1687022667873281
Energy: 1.2109569653724568
Energy: 1.2018022705255005
Energy: 1.2920570202284545
Energy: 1.224473318747806
Energy: 1.1973171589786442
Energy: 1.2153983619690978
Energy: 1.1966747171508976
Energy: 1.2485111509795481

minimum gb energy = 1.1666160833112547 eV
minimum distance =  2.20794883887853 Angstroms
sigma value = 33


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

Energy: 1.313802848867075
Energy: 1.2616140476142002
Energy: 1.2621146652309567
Energy: 1.2532200629901105
Energy: 1.2615940001255792
Energy: 1.2714204981688428
Energy: 1.3581802402522078
Energy: 1.2726736108027967
Energy: 1.2615353193152574
Energy: 1.2613033876713184
Energy: 1.251306822958816
Energy: 1.2753410461284858
Energy: 1.343819064767283
Energy: 1.2726289166864346
Energy: 1.3194996119957487
Energy: 1.2446605130545136
Energy: 1.272903987874753
Energy: 1.2742673026817501
Energy: 1.317658868182631
Energy: 1.271680897889539
Energy: 1.2713001558862067
Energy: 1.2424814025239976
Energy: 1.2712570309438294
Energy: 1.2789529218833053
Energy: 1.3422731829684054
Energy: 1.2718263222915163
Energy: 1.296822546699187
Energy: 1.3482602553478331
Energy: 1.3019484574431839
Energy: 1.272066540897406
Energy: 1.267380733147603
Energy: 1.2797358008090607
Energy: 1.279994648196646
Energy: 1.2503327485777775
Energy: 1.2807474760395783
Energy: 1.2794437492567872
Energy: 1.264464312573343
Energy: 1.2797638854333222
Energy: 1.27962786421141
Energy: 1.2755751464332064
Energy: 1.280203980054299
Energy: 1.2795840935341012
Energy: 1.2966252681016261
Energy: 1.2479519419797096
Energy: 1.2506300993015118
Energy: 1.2967021379824377
Energy: 1.2809967708984862
Energy: 1.2477942054021303
Energy: 1.2824551866937903
Energy: 1.2699342006254097
Energy: 1.272403964089203
Energy: 1.3173488078240303
Energy: 1.2697270242178444
Energy: 1.3428407204366213
Energy: 1.2255597061572245
Energy: 1.268734133804831
Energy: 1.2700920992563511
Energy: 1.2990792200682655
Energy: 1.2687953090004558
Energy: 1.2657008725046848
Energy: 1.297543332485893
Energy: 1.2468482560180323
Energy: 1.2703248230841426
Energy: 1.2992059650799954
Energy: 1.2691246505808382
Energy: 1.2463589656768186
Energy: 1.2619019337548512
Energy: 1.2467696851108547
Energy: 1.2473311569453625
Energy: 1.2427836034373498
Energy: 1.2470606412889556
Energy: 1.2468123716827557
Energy: 1.2535411692617282
Energy: 1.2466821297376016
Energy: 1.2477109414106753
Energy: 1.2426291206637818
Energy: 1.2471661011839315
Energy: 1.2429937197557208
Energy: 1.2653771096868707
Energy: 1.2479948124279323
Energy: 1.2704158457545887
Energy: 1.288630374818641
Energy: 1.2690068713542924
Energy: 1.2480628256120154
Energy: 1.2404355476599844
Energy: 1.2738970725290912
Energy: 1.2745691344526269
Energy: 1.2988774565594206
Energy: 1.2748958371961592
Energy: 1.2738768228733197
Energy: 1.2677621361009992
Energy: 1.2742568087145754
Energy: 1.2768776612495658
Energy: 1.3181182760435317
Energy: 1.2758949961777235
Energy: 1.317267559124722
Energy: 1.262560696379614
Energy: 1.244395739131927
Energy: 1.259533948260604
Energy: 1.2701163268663163
Energy: 1.2790901657281628
Energy: 1.2532972428492504
Energy: 1.228505614346335
Energy: 1.2777938825018513
Energy: 1.2785862766323957
Energy: 1.321302667994192
Energy: 1.278713054802786
Energy: 1.2723535683855243
Energy: 1.2273881665092197
Energy: 1.2782225974685089
Energy: 1.2790265670681327
Energy: 1.259655764305785
Energy: 1.2790267447163286
Energy: 1.2708017785569086
Energy: 1.265135446541215
Energy: 1.258943483066287
Energy: 1.2589489181490194
Energy: 1.3976935532420223
Energy: 1.2590793362013972
Energy: 1.2600943320006066
Energy: 1.2645569854973098
Energy: 1.2597680820783186
Energy: 1.2591448790765758
Energy: 1.2519814433764327
Energy: 1.2593461550728322
Energy: 1.2623775172471112
Energy: 1.2666720188518206
Energy: 1.2616867258073325
Energy: 1.2613514619125907
Energy: 1.2410713610648725
Energy: 1.2625345333170581
Energy: 1.263749905786477
Energy: 1.3587702715816392
Energy: 1.3562700027066195
Energy: 1.2669678542287952
Energy: 1.259577770369444
Energy: 1.2785770385883597
Energy: 1.274833696665098
Energy: 1.2421965674223356
Energy: 1.2752843494275816
Energy: 1.2793782258633775
Energy: 1.2515515264919075
Energy: 1.2760652301030915
Energy: 1.2717440211019133
Energy: 1.3604397595810003
Energy: 1.357284041206669
Energy: 1.2750006624944556
Energy: 1.2522116751144303
Energy: 1.274506539247242
Energy: 1.2748147021157323
Energy: 1.2650871130662038
Energy: 1.2732754361820966
Energy: 1.2781852085933727
Energy: 1.2644922989595315
Energy: 1.2790463447232645
Energy: 1.2627970050753414
Energy: 1.2444188311281588
Energy: 1.277691574262395
Energy: 1.2774603818194126
Energy: 1.2507934245508887
Energy: 1.2780170541323803
Energy: 1.2776818460138564
Energy: 1.2651104146143044
Energy: 1.2777465581061822
Energy: 1.2541182296085447
Energy: 1.273003295386955
Energy: 1.279460280681629
Energy: 1.2616626525507024
Energy: 1.3295750029290787
Energy: 1.2749331439562295
Energy: 1.360094997903041
Energy: 1.281157955396948
Energy: 1.2749538314970656
Energy: 1.2885656207650362
Energy: 1.3288320051711333
Energy: 1.2725460451654074
Energy: 1.2672187231309369
Energy: 1.2758676095359034
Energy: 1.2713675386298284
Energy: 1.273283138127264
Energy: 1.3392758873213975
Energy: 1.2709993888949749
Energy: 1.273370248547048
Energy: 1.2668881040193614
Energy: 1.3661977818864413
Energy: 1.2733281561162935
Energy: 1.3398037476670235
Energy: 1.2489832473042082
Energy: 1.2472569274617449
Energy: 1.247733747606637
Energy: 1.24754151840738
Energy: 1.3516200705711034
Energy: 1.2438654055002192
Energy: 1.2468499568586917
Energy: 1.2467262881215477
Energy: 1.2435163931643034
Energy: 1.24655391909985
Energy: 1.2640101095233465
Energy: 1.3439517809876773
Energy: 1.2690922800531392
Energy: 1.2467380823653798
Energy: 1.2617093186288206
Energy: 1.2469929384788203
Energy: 1.2697125617107812
Energy: 1.3607644696941805
Energy: 1.2755039691168195
Energy: 1.274852173996604
Energy: 1.2409627213937822
Energy: 1.2750312512138227
Energy: 1.275343273022809
Energy: 1.3298954989503573
Energy: 1.2757024954969762
Energy: 1.274965491653695
Energy: 1.2422456551620136
Energy: 1.2749887202441532
Energy: 1.3274436741335
Energy: 1.340338018002825
Energy: 1.3400301253220326
Energy: 1.2233108073934802
Energy: 1.2227007603684614
Energy: 1.2235736276835683
Energy: 1.3394769774260624
Energy: 1.3180708875854252
Energy: 1.2769434127299022
Energy: 1.2754659133403743
Energy: 1.228251749078705
Energy: 1.2755462903090409
Energy: 1.2884598572662254
Energy: 1.342462875207322
Energy: 1.2760037177810928
Energy: 1.2751693200677057
Energy: 1.2287078272713847
Energy: 1.2752837320225932
Energy: 1.2755377323081252
Energy: 1.3652127586381686
Energy: 1.2711557225806422
Energy: 1.2495779077686935
Energy: 1.2502168214446006
Energy: 1.2493057223410802
Energy: 1.2716373705052786
Energy: 1.2809020408031628
Energy: 1.2496286143632216
Energy: 1.2490120299731378
Energy: 1.2417495621650718
Energy: 1.2490117314306
Energy: 1.2671782655349684

minimum gb energy = 1.2227007603684614 eV
minimum distance =  2.20446770528931 Angstroms
sigma value = 51


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

Energy: 2.585054897649606
Energy: 1.348564826253056
Energy: 1.3490682499632372
Energy: 1.3411513346256083
Energy: 1.3488592598474223
Energy: 1.3047563295649545
Energy: 1.216476201853193
Energy: 1.363825278031654
Energy: 1.3390359830404657
Energy: 1.3342204415716157
Energy: 1.3734067620054558
Energy: 1.3408165340887956
Energy: 1.216662961927645
Energy: 1.3376837465691
Energy: 1.3630636445817916
Energy: 1.4306914358141878
Energy: 1.3381893815976158
Energy: 1.3373299361494506
Energy: 1.3763827829506818
Energy: 1.3387665635374706
Energy: 1.3372653702346884
Energy: 1.2920642462700134
Energy: 1.3372970489464606
Energy: 1.3361318406161762
Energy: 1.2171598489368247
Energy: 1.3396442417283287
Energy: 1.2790181461348589
Energy: 1.3364317839312354
Energy: 1.2799817531965176
Energy: 1.3427217642869063
Energy: 1.2154732465479163
Energy: 1.367143941094627
Energy: 1.2789141793286745
Energy: 1.3338194675665698
Energy: 1.3668308592909362
Energy: 1.3682802241297947
Energy: 1.2139497334952276
Energy: 1.3675088533665871
Energy: 1.367128749166988
Energy: 1.4545803397976091
Energy: 1.3676102859708927
Energy: 1.367221346948436
Energy: 1.2293525980667201
Energy: 1.2328424949282513
Energy: 1.2782508064117617
Energy: 1.3338453331018965
Energy: 1.4528258480285101
Energy: 1.2142184197302188
Energy: 1.2142679570851145
Energy: 1.2756965066636334
Energy: 1.2760498284901618
Energy: 1.4399081340373294
Energy: 1.2758005311836813
Energy: 1.3668622299623883
Energy: 1.2128357552595914
Energy: 1.2754309412311975
Energy: 1.2763569880498868
Energy: 1.3389343979412551
Energy: 1.2774868952531857
Energy: 1.2753614316104005
Energy: 1.2134529260063889
Energy: 1.2139980939232338
Energy: 1.2766678046573043
Energy: 1.3434038479579586
Energy: 1.2801979935927967
Energy: 1.2143018473167941
Energy: 1.2135620174824477
Energy: 1.3399331868405682
Energy: 1.3399407525389542
Energy: 1.293469446286875
Energy: 1.339664628016352
Energy: 1.2133693638698182
Energy: 1.2145506997741915
Energy: 1.3397901924427855
Energy: 1.3399004855523964
Energy: 1.292691175365585
Energy: 1.3395582930730738
Energy: 1.3399771571544143
Energy: 1.212758827090864
Energy: 1.3454351635350417
Energy: 1.2773483068540776
Energy: 1.3365399356065197
Energy: 1.2780671416813587
Energy: 1.2134761797711027
Energy: 1.3858043085068972
Energy: 1.3578241529901312
Energy: 1.3576351897523227
Energy: 1.2950314340359181
Energy: 1.3576705573736738
Energy: 1.3876321650538173
Energy: 1.2182573459631567
Energy: 1.3572094546969782
Energy: 1.35786122864387
Energy: 1.4364609531711163
Energy: 1.3577328231926045
Energy: 1.3371692992120328
Energy: 1.2333436535621496
Energy: 1.3396261116017645
Energy: 1.3474201004714805
Energy: 1.3451385124572686
Energy: 1.2798949811567673
Energy: 1.340063632391377
Energy: 1.2753659342645782
Energy: 1.3743477018534662
Energy: 1.333515227592236
Energy: 1.4035708170841374
Energy: 1.333382767034052
Energy: 1.2952941682925945

minimum gb energy = 1.212758827090864 eV
minimum distance =  2.19786461708747 Angstroms
sigma value = 19


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

Energy: 1.4075722581420884
Energy: 1.3237348311804402
Energy: 1.3246182959424777
Energy: 1.3222542878766135
Energy: 1.358025956932953
Energy: 1.3429720908604377
Energy: 1.340099949320354
Energy: 1.367138549637586
Energy: 1.3232735452416053
Energy: 1.3014514458169957
Energy: 1.3539505631204931
Energy: 1.3651628746336342
Energy: 1.3649522792964466
Energy: 1.3651199484396408
Energy: 1.3645001230735643
Energy: 1.2981719325661307
Energy: 1.365169578961339
Energy: 1.365275573381053
Energy: 1.5096113081695333
Energy: 1.3680151949002604
Energy: 1.3655237402026015
Energy: 1.3641052578619477
Energy: 1.3655789920733166
Energy: 1.384698055879037
Energy: 1.3550894446638901
Energy: 1.365273408197952
Energy: 1.3678710146375765
Energy: 1.2982338222982839
Energy: 1.38437247817936
Energy: 1.3665147665445783
Energy: 1.3422679084432363
Energy: 1.361231101858277
Energy: 1.3479822862713347
Energy: 1.3015344294659115
Energy: 1.3623601058670123
Energy: 1.3621723868897442
Energy: 1.366714177188014
Energy: 1.36212466783437
Energy: 1.3641881506259252
Energy: 1.3519275005924873
Energy: 1.378742742826735
Energy: 1.3619167005701944
Energy: 1.354168054560078
Energy: 1.3635559308843694
Energy: 1.3479325068504922
Energy: 1.301511449620622
Energy: 1.4078465774571405
Energy: 1.362095235518366
Energy: 1.2702496897092204
Energy: 1.3534413341309284
Energy: 1.3190659055207166
Energy: 1.2976358524129974
Energy: 1.3191802209668617
Energy: 1.3618958129590653
Energy: 1.2695330408467704
Energy: 1.319228913797619
Energy: 1.3199854896533065
Energy: 1.3345980369080561
Energy: 1.3197970208219882
Energy: 1.3464779488982341
Energy: 1.3737121063752187
Energy: 1.3618071156998763
Energy: 1.3588824883101271
Energy: 1.3230723851633484
Energy: 1.3550812398471865
Energy: 1.3694536740259948
Energy: 1.3642660512727405
Energy: 1.3705005374110355
Energy: 1.3700908142062884
Energy: 1.3293854085008425
Energy: 1.369737923485505
Energy: 1.3617533933202794
Energy: 1.3496804058926262
Energy: 1.3718680157500918
Energy: 1.370196545841853
Energy: 1.3287664818556848
Energy: 1.371320395432692
Energy: 1.3701182574822428
Energy: 1.3567203729536619
Energy: 1.3616663196912882
Energy: 1.3340789885209692
Energy: 1.3094420678253431
Energy: 1.3345349160676205
Energy: 1.3341190960922504
Energy: 1.3706928900439357
Energy: 1.3334531028416738
Energy: 1.33422115877549
Energy: 1.2529685658003686
Energy: 1.3333551344966528
Energy: 1.3344525261830475
Energy: 1.3327067181992065
Energy: 1.3337272284642105
Energy: 1.3336640559617146
Energy: 1.3061843398552966
Energy: 1.3336723642192148
Energy: 1.3334040812814014
Energy: 1.3339211491027645
Energy: 1.3337000060428885
Energy: 1.334183315581936
Energy: 1.2533862601859582
Energy: 1.3630003136794429
Energy: 1.333796484204566
Energy: 1.3247035401976814
Energy: 1.3628862166958513
Energy: 1.3341604118462451
Energy: 1.334864898336839
Energy: 1.3631807239705536
Energy: 1.3633235734814657
Energy: 1.3257769410525657
Energy: 1.3629431010363933
Energy: 1.3633625799952798
Energy: 1.4779968783414097
Energy: 1.362857675505073
Energy: 1.3843846602468721
Energy: 1.3173907226697081
Energy: 1.3646784415214492
Energy: 1.3339667984225614
Energy: 1.311525531924921
Energy: 1.3634837336638324
Energy: 1.3526455930500418
Energy: 1.2998904599676055
Energy: 1.3631758291495475
Energy: 1.3636401161147502
Energy: 1.507032130120947
Energy: 1.3628358966234988
Energy: 1.3821895939910025
Energy: 1.2996930725490905
Energy: 1.3632725501814893
Energy: 1.3638505926906936
Energy: 1.3806036309908996
Energy: 1.3637337479211626
Energy: 1.3515614454472356
Energy: 1.3161939573748132
Energy: 1.353387329875986
Energy: 1.3699831129691593
Energy: 1.3293182845538756
Energy: 1.3730279263418752
Energy: 1.3537556223097496
Energy: 1.3343205143128054
Energy: 1.3175616182152803
Energy: 1.3462174046686486
Energy: 1.2702668492886942
Energy: 1.3173678436918865
Energy: 1.3177378878814405
Energy: 1.3388799656092132
Energy: 1.3172987182718585
Energy: 1.353130913041282
Energy: 1.2705305925021466
Energy: 1.3177847130275617
Energy: 1.3220545575283602
Energy: 1.3666279907768015
Energy: 1.3648290617525591
Energy: 1.3805507051695565
Energy: 1.33070945641385
Energy: 1.3626362495611672
Energy: 1.3465480102677108
Energy: 1.3649762211920178
Energy: 1.3703597739713913
Energy: 1.3700473291292568
Energy: 1.38452396046335
Energy: 1.3702388900630549
Energy: 1.3973622636694811
Energy: 1.3558498028653696
Energy: 1.3693637417007645
Energy: 1.3700996894492037
Energy: 1.3804838429343227
Energy: 1.3692276958734764
Energy: 1.3660142542184304
Energy: 1.3398861199652028
Energy: 1.3737190629062532
Energy: 1.3633776220684461
Energy: 1.3409225047364268
Energy: 1.3540776971430826
Energy: 1.3841795882492198
Energy: 1.297235278367283
Energy: 1.3542432206451118
Energy: 1.3224430248806776
Energy: 1.3384131690001422
Energy: 1.322181327523586
Energy: 1.3241185484461273

minimum gb energy = 1.2529685658003686 eV
minimum distance =  2.1707601535265 Angstroms
sigma value = 27


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

Energy: 2.1093258385700318
Energy: 1.4511202538711196
Energy: 1.451448158666587
Energy: 1.3430812684384106
Energy: 1.4510987695110746
Energy: 1.3397635509508645
Energy: 1.5092332485482343
Energy: 1.4642875872460699
Energy: 1.275993225092589
Energy: 1.34106886106117
Energy: 1.4500338164672282
Energy: 1.275924872945266
Energy: 1.517101817221887
Energy: 1.4348856099911258
Energy: 1.4453329571087388
Energy: 1.1547478966225881
Energy: 1.4450642893210173
Energy: 1.4346135296396931
Energy: 1.6228244101003688
Energy: 1.4343625364495882
Energy: 1.434147062370805
Energy: 1.1542596249809256
Energy: 1.4342367958094298
Energy: 1.4344627761240136
Energy: 1.6257248636152455
Energy: 1.4354655787829025
Energy: 1.2712371465695376
Energy: 1.1565496918508373
Energy: 1.2703529643091604
Energy: 1.4352094231931731
Energy: 1.5169832413844488
Energy: 1.286992017897702
Energy: 1.2871811106363944
Energy: 1.1578991129273295
Energy: 1.287061176775976
Energy: 1.2879961475585673
Energy: 1.5104519506441922
Energy: 1.2859508902066827
Energy: 1.286007615890021
Energy: 1.6526338489952133
Energy: 1.2857127199327043
Energy: 1.2871926358401435
Energy: 1.5162253084445054
Energy: 1.2879797773069113
Energy: 1.2711766059700391
Energy: 1.1594256297565704
Energy: 1.287018723108997
Energy: 1.2747404131724671
Energy: 1.621100016686521
Energy: 1.4304721183641766
Energy: 1.1545367424118744
Energy: 1.155030771844116
Energy: 1.1547096265675956
Energy: 1.4643237024941775
Energy: 1.6203965076614664
Energy: 1.4308768441393318
Energy: 1.4312622898934926
Energy: 1.1789475356239705
Energy: 1.43164940500626
Energy: 1.4305130050742294
Energy: 1.51591712585445
Energy: 1.4691803014563232
Energy: 1.4460864080626483
Energy: 1.177244216486342
Energy: 1.4448070358746434
Energy: 1.434868035586655
Energy: 1.338183033832771
Energy: 1.4641087265793538
Energy: 1.2713936969049109
Energy: 1.3399208484711518
Energy: 1.4499618367794427
Energy: 1.2874236453706693

minimum gb energy = 1.1542596249809256 eV
minimum distance =  2.23005450410658 Angstroms
sigma value = 9


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

Energy: 1.2297010879177104
Energy: 1.334862503003872
Energy: 1.3323974488565156
Energy: 1.3016127288583483
Energy: 1.3343751261819727
Energy: 1.3954615199343523
Energy: 1.3148356765469882
Energy: 1.4638227261405945
Energy: 1.2900970301966919
Energy: 1.279385271790883
Energy: 1.2895953097474935
Energy: 1.3558902551459293
Energy: 1.2987947155943613
Energy: 1.417840848273733
Energy: 1.4172078476433967
Energy: 1.3298709759794294
Energy: 1.4173801545600935
Energy: 1.4029955874313302
Energy: 1.229016876189196
Energy: 1.417950469128802
Energy: 1.4176402925462532
Energy: 1.312363202161057
Energy: 1.4176158340101166
Energy: 1.4342907414309995
Energy: 1.3306557572889042
Energy: 1.4173647857022824
Energy: 1.4178503256462471
Energy: 1.2985348079030392
Energy: 1.4184768813404773
Energy: 1.4588150641393338
Energy: 1.299310596823817
Energy: 1.2896705774783337
Energy: 1.4172546265544665
Energy: 1.3146436432335475
Energy: 1.493674978016571
Energy: 1.2896918415582221
Energy: 1.2667051906087188
Energy: 1.2904634787779534
Energy: 1.382133549874006
Energy: 1.4052788931318652
Energy: 1.2895751683444596
Energy: 1.2910551876183947
Energy: 1.2606106999214637
Energy: 1.2897689855997878
Energy: 1.4616789806760169
Energy: 1.3151347130770816
Energy: 1.4933311165586152
Energy: 1.2897643132365246
Energy: 1.2776240889918193
Energy: 1.4226968950023722
Energy: 1.4115075301706141
Energy: 1.2983667372900562
Energy: 1.4604895090283492
Energy: 1.4357631168235903
Energy: 1.277416959877437
Energy: 1.418923480685664
Energy: 1.398864755579
Energy: 1.2940204871294672
Energy: 1.3991620365078519
Energy: 1.418934229158871
Energy: 1.2684491981030905
Energy: 1.3999944952530796
Energy: 1.3979340476425175
Energy: 1.2966218523957125
Energy: 1.3986653922792802
Energy: 1.323656962459645
Energy: 1.2650954297588985
Energy: 1.443237545649448
Energy: 1.362681808707031
Energy: 1.3356039601154934
Energy: 1.3621663810278684
Energy: 1.3845201896483597
Energy: 1.3281204012408203
Energy: 1.3791348918222612
Energy: 1.3821601852699839
Energy: 1.3127181178808998
Energy: 1.3801970583788012
Energy: 1.4103186185729317
Energy: 1.2651026267347714
Energy: 1.4525976205357083
Energy: 1.3644436107019395
Energy: 1.3139854464389824
Energy: 1.3618953468016621
Energy: 1.3859810989792747
Energy: 1.2686354628036476
Energy: 1.5010610968449496
Energy: 1.375062333355814
Energy: 1.3138914761359108
Energy: 1.3639073228061618
Energy: 1.3792048715642304
Energy: 1.2946101224808877
Energy: 1.3619402127035571
Energy: 1.367764475749521
Energy: 1.3140431055432482
Energy: 1.362933576051178
Energy: 1.3775805334607756
Energy: 1.2297127458307175
Energy: 1.3612657253534592
Energy: 1.3623777218617295
Energy: 1.3361093154663386
Energy: 1.361978654059043
Energy: 1.3796046748422945
Energy: 1.3019336634121446
Energy: 1.4000970123370096
Energy: 1.3744786855065425
Energy: 1.2988653705702478
Energy: 1.3986324644891306
Energy: 1.3029935591523758
Energy: 1.2815624321668773
Energy: 1.4085689013842604
Energy: 1.4071729119611585
Energy: 1.3703193752892482
Energy: 1.408248332874592
Energy: 1.4076931672681579
Energy: 1.2786401753975567
Energy: 1.4013340826410616
Energy: 1.4118472979371555
Energy: 1.2912753744206587
Energy: 1.3986956857859068
Energy: 1.403404940999134
Energy: 1.265596638293554
Energy: 1.290857327771917
Energy: 1.4596472298539975
Energy: 1.3372979318046283
Energy: 1.4606531879267246
Energy: 1.2662520517767402
Energy: 1.2654157914824684
Energy: 1.2910030182912717
Energy: 1.338742541201176
Energy: 1.2260395306748222
Energy: 1.2898973271108616
Energy: 1.2710657096664952
Energy: 1.2953166235415419
Energy: 1.2897753952715376
Energy: 1.3927744740460108
Energy: 1.2254898219028083
Energy: 1.2890249915856808
Energy: 1.289683157413686
Energy: 1.2775106383150079
Energy: 1.4170891619241852
Energy: 1.4181355780837157
Energy: 1.335586796960921
Energy: 1.4180588364157665
Energy: 1.2912264501302233
Energy: 1.2982463718663815
Energy: 1.4168557510504751
Energy: 1.4171332716694347
Energy: 1.3006518285643576
Energy: 1.4178015777180129
Energy: 1.4467611709831136
Energy: 1.299052789812154
Energy: 1.417431306474429
Energy: 1.4178816866034378
Energy: 1.229066221795784
Energy: 1.4176944709633126
Energy: 1.4167886409048873
Energy: 1.3334419444843393
Energy: 1.4179408646462162
Energy: 1.2916085914175761
Energy: 1.2982701031494348
Energy: 1.2912019849819327
Energy: 1.3255077149688597
Energy: 1.3420516610349735
Energy: 1.290208337952232
Energy: 1.2911787719388765
Energy: 1.2787552637893218
Energy: 1.290644493920643
Energy: 1.3620403497627156
Energy: 1.2624831256368358
Energy: 1.289380385737918
Energy: 1.2895086506103102
Energy: 1.2591466231623452
Energy: 1.2893605467341562
Energy: 1.4552063633731722
Energy: 1.3350919610181895
Energy: 1.4587692250952877
Energy: 1.265753350391332
Energy: 1.2668053882478596
Energy: 1.4082169841164618
Energy: 1.3627633392341822
Energy: 1.2966053229126573
Energy: 1.3979186379778705
Energy: 1.4219514719167528
Energy: 1.2785602904135083
Energy: 1.3982707982711235
Energy: 1.4146366426167258
Energy: 1.2966374744333342
Energy: 1.4002414691307203
Energy: 1.406596554874387
Energy: 1.2656545681722562
Energy: 1.404648647885592
Energy: 1.4144952484270306
Energy: 1.298727336618486
Energy: 1.3639775394831866
Energy: 1.4002421820198232
Energy: 1.2691606664806048
Energy: 1.4029567352765353
Energy: 1.362814124913019
Energy: 1.3137277736223898
Energy: 1.3631676630299525
Energy: 1.3628309527431781
Energy: 1.2623919782621473
Energy: 1.3629840736143322
Energy: 1.3619783534138261
Energy: 1.3557867457683292
Energy: 1.3621721113312408
Energy: 1.3617417654036132
Energy: 1.2954159394585334
Energy: 1.361639930321221
Energy: 1.354693633840169
Energy: 1.3113919615450702
Energy: 1.3942085155499675
Energy: 1.3780032462736291
Energy: 1.3033093835959169
Energy: 1.5008040863925252
Energy: 1.3127176523757789
Energy: 1.3577984729286492
Energy: 1.362337863213868
Energy: 1.4550257175326966
Energy: 1.228883006831097
Energy: 1.3612480157449038
Energy: 1.3803521061848942
Energy: 1.312692406687689
Energy: 1.3639120155826128
Energy: 1.3784290369220626
Energy: 1.293882230433582
Energy: 1.3630912842211906
Energy: 1.3742353427428662
Energy: 1.2992858557562907
Energy: 1.3634399635973773
Energy: 1.4025036384869582
Energy: 1.269151971878679
Energy: 1.4036118377988314
Energy: 1.2911145709165124
Energy: 1.327729703878976
Energy: 1.3996499833328924
Energy: 1.4047782238413462
Energy: 1.2658738887088339
Energy: 1.4038811270555396
Energy: 1.3985129128059304
Energy: 1.2989979187794534
Energy: 1.398147839893883
Energy: 1.3981094801500782
Energy: 1.2796793589465891
Energy: 1.398736573129388
Energy: 1.399965465209001
Energy: 1.3358929312305563
Energy: 1.4583712132506979
Energy: 1.3935395165846738
Energy: 1.2670531750646468
Energy: 1.4093838735596547
Energy: 1.3251855275183009
Energy: 1.2253430016392413
Energy: 1.290597161746185
Energy: 1.2894716652805833
Energy: 1.2586909592723534
Energy: 1.289332747859032
Energy: 1.408952848069339

minimum gb energy = 1.2253430016392413 eV
minimum distance =  2.19291083379785 Angstroms
sigma value = 57


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

Energy: 2.367735993002077
Energy: 1.3078729803124085
Energy: 1.1154864346044515
Energy: 1.1185627350036502
Energy: 1.307830877846601
Energy: 1.3683086357557204
Energy: 1.1148202139557692
Energy: 1.364022934991182
Energy: 1.2642506072414674
Energy: 1.113523412553838
Energy: 1.2648301616235302
Energy: 1.3715085034601409
Energy: 1.115516253830004
Energy: 1.3739238363748343
Energy: 1.3739306765227421
Energy: 1.1168936102955336
Energy: 1.37646184773971
Energy: 1.2659770614589718
Energy: 1.1107056042296162
Energy: 1.3739646966550794
Energy: 1.3750686735385649
Energy: 1.1151889307235185
Energy: 1.374735099427168
Energy: 1.1086081192512673
Energy: 1.1104373368844853
Energy: 1.301209886961871
Energy: 1.373980517167594
Energy: 1.1162062226019105
Energy: 1.374786061907776
Energy: 1.3000603634498866
Energy: 1.1125005379253714
Energy: 1.2641679240204031
Energy: 1.3757161997203484
Energy: 1.1157522996634464
Energy: 1.264714445089324
Energy: 1.263313267190798
Energy: 1.1483361067676428
Energy: 1.2727538630009494
Energy: 1.2768681609261487
Energy: 1.2971014634587825
Energy: 1.274070438539897
Energy: 1.2756766831598687
Energy: 1.150625544082148
Energy: 1.2644801071885774
Energy: 1.3699686800627602
Energy: 1.2663235803966642
Energy: 1.2654084917214863
Energy: 1.264493597959065
Energy: 1.1465012703122799
Energy: 1.2716567597508097
Energy: 1.374102752814722
Energy: 1.1172479636689614
Energy: 1.3700925537431092
Energy: 1.1462884231302133
Energy: 1.1484807874557563
Energy: 1.2685140274404574
Energy: 1.3644511667420756
Energy: 1.1085468870495112
Energy: 1.2664453786860677
Energy: 1.146684968909653
Energy: 1.1153750215547038
Energy: 1.2662840077381503
Energy: 1.3620805624723344
Energy: 1.1082885686506758
Energy: 1.2646304123077294
Energy: 1.1155644000790108
Energy: 1.1156446544842686
Energy: 1.3736150314791997
Energy: 1.3635322438727775
Energy: 1.1154319177290748
Energy: 1.3739076412639508
Energy: 1.2720767321278976
Energy: 1.1152303318296186
Energy: 1.3743403864703652
Energy: 1.299714903823412
Energy: 1.2712564030833389
Energy: 1.3741182742878022
Energy: 1.3749117155163713
Energy: 1.1151464942863527
Energy: 1.3736539318006793
Energy: 1.374369640310087
Energy: 1.1104868483359054
Energy: 1.3756346094356737
Energy: 1.3736939559603283
Energy: 1.1168203936654753
Energy: 1.3739081263634878
Energy: 1.2682648227043398
Energy: 1.116829314822179
Energy: 1.2677147850282637
Energy: 1.3630373505378952
Energy: 1.1045637676896218
Energy: 1.2660958443568706
Energy: 1.272389054702488
Energy: 1.1153493610301755
Energy: 1.2708277808358452
Energy: 1.2970882886510817
Energy: 1.1047030879680149
Energy: 1.2640374289750316
Energy: 1.265031868094359
Energy: 1.1477433243327
Energy: 1.264575052730641
Energy: 1.3629215100042387
Energy: 1.1149737594945455
Energy: 1.367493561375941
Energy: 1.2739762086897657
Energy: 1.1451466904909195
Energy: 1.2748062216929956
Energy: 1.3624942274522094
Energy: 1.1079385515455002
Energy: 1.362337279263815
Energy: 1.264739296735015
Energy: 1.1710144835772291
Energy: 1.2646689176482453
Energy: 1.3730953842330018

minimum gb energy = 1.1045637676896218 eV
minimum distance =  2.19673859276146 Angstroms
sigma value = 11


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

Energy: 1.43881936793454
Energy: 1.2213053464797818
Energy: 1.0859867207036913
Energy: 1.0870315335718472
Energy: 1.219769310075848
Energy: 1.0372791343881338
Energy: 1.0276597065772433
Energy: 1.313710457054148
Energy: 1.158740657834537
Energy: 1.02603860198192
Energy: 1.1580161707078087
Energy: 1.3155276440651416
Energy: 1.0271146355166718
Energy: 1.2968001061715024
Energy: 1.300504781659222
Energy: 1.0286608202026177
Energy: 1.2990191111233365
Energy: 1.3161749147131825
Energy: 1.021297873102364
Energy: 1.2961808875135212
Energy: 1.3003098001710776
Energy: 1.0290544240008512
Energy: 1.299124472316726
Energy: 1.3138733990549276
Energy: 1.0209254629374795
Energy: 1.2974918668572415
Energy: 1.2995062413930503
Energy: 1.0283634017170118
Energy: 1.3000326864678378
Energy: 1.3133415920938047
Energy: 1.0258297096096543
Energy: 1.2961323367946713
Energy: 1.3008321538670087
Energy: 1.0286688481499204
Energy: 1.2957607972604248
Energy: 1.2042416805714706
Energy: 1.0285979969157109
Energy: 1.1981530642825788
Energy: 1.2990973002122983
Energy: 1.1970466131737998
Energy: 1.2996603796776174
Energy: 1.2002909686325396
Energy: 1.0233130677117983
Energy: 1.2964083523265701
Energy: 1.294716036931172
Energy: 1.1628653339749278
Energy: 1.2963839195001843
Energy: 1.2195973778402356
Energy: 1.027925448832374
Energy: 1.1589110540358574
Energy: 1.3136945949023409
Energy: 1.1588875699194063
Energy: 1.3004811376284315
Energy: 1.1614600256117302
Energy: 1.0290180826376765
Energy: 1.1599787250751508
Energy: 1.1590576317685712
Energy: 1.197099274134422
Energy: 1.1591014431292705
Energy: 1.02639403965129
Energy: 1.0460200611661095
Energy: 1.1586835539820386
Energy: 1.1573481976579805
Energy: 1.025298513691589
Energy: 1.1574313444028352
Energy: 1.1602820980910378
Energy: 1.0403538095066351
Energy: 1.1602749676781516
Energy: 1.3129935681724223
Energy: 1.2697097520015899
Energy: 1.283654412819968
Energy: 1.0440037158659912
Energy: 1.0455490672343328
Energy: 1.1584111442632674
Energy: 1.2951028604378783
Energy: 1.024674195240021
Energy: 1.1577058830111464
Energy: 1.0456463684585995
Energy: 1.027386228167336
Energy: 1.0277034223155872
Energy: 1.2709758324637863
Energy: 1.0232742138600164
Energy: 1.1613808564639412
Energy: 1.0279161261700798
Energy: 1.0272829756208433
Energy: 1.1584678296351965
Energy: 1.3170203848741333
Energy: 1.1613120123880822
Energy: 1.3010194688216539
Energy: 1.1581410367948415
Energy: 1.0304899824806009
Energy: 1.3002705184355197
Energy: 1.31580264310718
Energy: 1.197671390605782
Energy: 1.2954828980230768
Energy: 1.3002241660946747
Energy: 1.0279478331831866
Energy: 1.300782981970236
Energy: 1.31523335630215
Energy: 1.3138782728861627
Energy: 1.2995706745683986
Energy: 1.2013801473167438
Energy: 1.0275151169570371
Energy: 1.2994248871753642
Energy: 1.2956231877433706
Energy: 1.0272769007396447
Energy: 1.2964027492885593
Energy: 1.3013174734610136
Energy: 1.0294636483724038
Energy: 1.2949155084771737
Energy: 1.3000406589643612
Energy: 1.0278957363445664
Energy: 1.2960896415829604
Energy: 1.2992157809276412
Energy: 1.025684489068759
Energy: 1.2997558964721787
Energy: 1.1983215783977044
Energy: 1.0273639368242717
Energy: 1.3002109725030109
Energy: 1.2967380740257561
Energy: 1.0270848328883249
Energy: 1.295363903369215
Energy: 1.1988547922787929
Energy: 1.02406835924924
Energy: 1.2984283465374309
Energy: 1.3158200002058298
Energy: 1.028422501962457
Energy: 1.301864384410785
Energy: 1.1603339132231212
Energy: 1.0264097876738745
Energy: 1.1576961105030488
Energy: 1.3146429506052704
Energy: 1.0216554376439773
Energy: 1.1613269089653198
Energy: 1.1629759101947301
Energy: 1.0292314174607928
Energy: 1.1626320238975094
Energy: 1.2999183666047127
Energy: 1.0239609763812525
Energy: 1.1572792845782096
Energy: 1.1584569717999618
Energy: 1.0456619407758525
Energy: 1.157637930894196
Energy: 1.2946995129039134
Energy: 1.028335512675135
Energy: 1.2988574015867798
Energy: 1.0428308051706763
Energy: 1.0411258122923972
Energy: 1.2830453361715461
Energy: 1.313430089626817
Energy: 1.021529193079938
Energy: 1.157888915281215
Energy: 1.0447766497739117
Energy: 1.0465631837097336
Energy: 1.1584792613875912
Energy: 1.2674070775889104

minimum gb energy = 1.0209254629374795 eV
minimum distance =  2.16874445980881 Angstroms
sigma value = 41


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

Energy: 1.7658064738925465
Energy: 0.954540294059048
Energy: 1.0027281539470192
Energy: 1.0026783642612043
Energy: 0.95422762698328
Energy: 0.9610304315224325
Energy: 1.1777547516093545
Energy: 1.1864686663024928
Energy: 1.0539058064660671
Energy: 1.0588206413993695
Energy: 1.0544337388088296
Energy: 1.2184411009640201
Energy: 1.1797564449058697
Energy: 1.2215723143676738
Energy: 1.1955982661026403
Energy: 1.0556197119681685
Energy: 1.1857956179378095
Energy: 1.2217725547003266
Energy: 1.1739683593413808
Energy: 1.1863941809744223
Energy: 1.1958238698758763
Energy: 1.056897777998892
Energy: 1.1856918199521262
Energy: 1.2080947925586845
Energy: 1.1710956605229326
Energy: 1.1849963514741848
Energy: 1.1930057653346346
Energy: 1.056301920323753
Energy: 1.1856286719589317
Energy: 1.2066209816605666
Energy: 1.178037098544788
Energy: 1.2195880591000896
Energy: 1.1842593572142974
Energy: 1.2220307003010524
Energy: 1.2226116498181254
Energy: 1.2168666823948346
Energy: 0.9389130544432742
Energy: 1.2218820285299496
Energy: 1.2183166635578646
Energy: 1.194604127862687
Energy: 1.2199735682265858
Energy: 1.1961172250950605
Energy: 1.1726530644963105
Energy: 1.2198072865450655
Energy: 1.2206622356274353
Energy: 1.184395090804975
Energy: 1.2215081496557687
Energy: 1.2199741810368712
Energy: 1.17866415054991
Energy: 1.186503664403951
Energy: 1.2207031314038357
Energy: 1.2102686176794806
Energy: 1.221699077813676
Energy: 1.185730622171023
Energy: 1.057927479833893
Energy: 1.1960287310483766
Energy: 1.187061339087433
Energy: 1.1863258869837803
Energy: 1.1880579871256467
Energy: 1.108694446786006
Energy: 1.0586986023596812
Energy: 1.1881295486145986
Energy: 1.1846171636986402
Energy: 0.9307708591726908
Energy: 1.1848867852323393
Energy: 1.0553524628215802
Energy: 1.058640902382629
Energy: 1.0540068578077273
Energy: 1.2238661352141467
Energy: 1.2091089675966815
Energy: 1.184085614416249
Energy: 0.9541585700312792
Energy: 1.0555367221938374
Energy: 1.054078049036771
Energy: 0.9545873034784342
Energy: 1.2183038431356363
Energy: 1.0538943212490206
Energy: 1.0547965548854732
Energy: 0.9536367186154563
Energy: 1.0531691192603556
Energy: 1.188454710630312
Energy: 1.1854916761429026
Energy: 1.0544267838819286
Energy: 0.9543194870616413
Energy: 0.9551982328369166
Energy: 1.0542626303904972
Energy: 1.2218334993573092
Energy: 1.2084084502350927
Energy: 0.9551063975019817
Energy: 1.0547618815823327
Energy: 0.9548294779049225
Energy: 1.055119895539445
Energy: 1.1876868447951774
Energy: 1.2114224443966135
Energy: 1.1935943346588043
Energy: 0.9546720338757472
Energy: 0.9535753562278171
Energy: 0.9544637621052146
Energy: 1.1534240675595868
Energy: 1.233729503681304
Energy: 1.0558788631891343
Energy: 0.9547654579476202
Energy: 1.0558464690824638
Energy: 1.054718219878026
Energy: 1.1842709289960631
Energy: 1.2248939933270848
Energy: 1.053937743107001
Energy: 0.9389007404758449
Energy: 1.0580077482801609
Energy: 1.1971057562593121
Energy: 1.2248340221540504
Energy: 1.2101744634241969
Energy: 1.1851798380406533
Energy: 0.9534820416754914
Energy: 1.0574918538655285
Energy: 1.1878485980035636
Energy: 1.1842083702090187
Energy: 1.2074178106260114
Energy: 1.1844626689137674
Energy: 1.053675891772132
Energy: 1.056475534833375
Energy: 1.1974138538883594
Energy: 1.2099512760984787
Energy: 1.2068120757142895
Energy: 1.1842132148092483
Energy: 1.1095186302387983
Energy: 1.1780208726244084
Energy: 1.1857689967606597
Energy: 1.220720126714941
Energy: 1.2141771976311044
Energy: 1.2209981198447408
Energy: 1.1854341955858803
Energy: 1.0566941335550646
Energy: 1.218281571649479
Energy: 1.2203222856193916
Energy: 1.221793024364468
Energy: 1.2220238520896136
Energy: 1.216791305605903
Energy: 1.05673242808495
Energy: 1.2207672594979628
Energy: 1.217136582356403
Energy: 1.1507388668171015
Energy: 1.2197788828658853
Energy: 1.195398585960193
Energy: 1.177804329180773
Energy: 1.2187528868139714
Energy: 1.18491274799566
Energy: 1.2215059442235965
Energy: 1.222635424678008
Energy: 1.2167268838570957
Energy: 1.053858827438518
Energy: 1.1846648401447657
Energy: 1.1859879623065466
Energy: 1.1720725433804366
Energy: 1.1861710849232354
Energy: 1.185410822746649
Energy: 1.0527005143410288
Energy: 1.1872115065326572
Energy: 1.0542111929291091
Energy: 0.9551832547390826
Energy: 1.1926069868660691
Energy: 1.1863932808303186
Energy: 1.178744108059942
Energy: 1.1865612329117718
Energy: 1.055108544492637
Energy: 0.9547995845887725
Energy: 1.1864678578968337
Energy: 1.2220078326644144
Energy: 1.1778428216410137
Energy: 1.0540238684271381
Energy: 1.053831621006635
Energy: 1.0577527645676568
Energy: 1.0540135304230203
Energy: 1.2186816766837751
Energy: 1.1740015140984323
Energy: 0.9538457884021615
Energy: 0.9362207647272582
Energy: 0.9361206555091748
Energy: 0.9559432557401216
Energy: 1.050188942520455
Energy: 1.1782987651076293
Energy: 0.9540298274952174
Energy: 1.0536393155988149
Energy: 0.9782583415725596
Energy: 1.0533907508514684
Energy: 1.2181242768036624
Energy: 1.1788192425049273
Energy: 1.185104505155461
Energy: 0.955495113879505
Energy: 0.9550291573847932
Energy: 1.1665222645132094
Energy: 1.2229713748698479
Energy: 0.9258914025057595
Energy: 1.055416848720724
Energy: 0.9555997510926807
Energy: 0.9559981515047054
Energy: 1.056758679583273
Energy: 1.1497166028323393

minimum gb energy = 0.9258914025057595 eV
minimum distance =  2.16582819395289 Angstroms
sigma value = 33


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

Energy: 1.693586144900782
Energy: 0.8342226603710754
Energy: 0.8365276292208146
Energy: 0.8967146220845653
Energy: 0.8365416572164293
Energy: 0.8436890921949095
Energy: 1.4222702850661908
Energy: 0.9615793723155907
Energy: 0.9115704530357371
Energy: 0.910785633128035
Energy: 0.9115761051477625
Energy: 0.9648219043400609
Energy: 1.2822171603970487
Energy: 0.9622364621560026
Energy: 0.8334251065618374
Energy: 0.8347385810841197
Energy: 0.9586938992410103
Energy: 1.0651310738648738
Energy: 1.5767962367364272
Energy: 1.027771009066552
Energy: 0.8352963917906938
Energy: 0.8354715626521836
Energy: 0.8352448594752255
Energy: 1.0550982620598528
Energy: 1.5760636183538692
Energy: 1.0269659258145325
Energy: 0.8401557325491659
Energy: 0.9150413055990344
Energy: 1.0273372473658318
Energy: 1.0537970592179542
Energy: 1.28289336934436
Energy: 1.0657166338807758
Energy: 0.9667939895955326
Energy: 1.0407384220643399
Energy: 0.9692551271934515
Energy: 1.0730903409930461
Energy: 1.41835086751859
Energy: 1.0659651442805882
Energy: 1.066608460141326
Energy: 0.9679872034509575
Energy: 1.0655969007462833
Energy: 1.0717066901767751
Energy: 1.2862682159752872
Energy: 1.0637118936398813
Energy: 0.9564966698313765
Energy: 0.9662471726381129
Energy: 0.9669038969631288
Energy: 1.0712862397386207
Energy: 1.4215006553452454
Energy: 1.0740039249467939
Energy: 1.0665842905946792
Energy: 1.0664293532459928
Energy: 1.0688398305029394
Energy: 1.0738737450996663
Energy: 1.2842763408862283
Energy: 1.0750862800334349
Energy: 1.0745866322926902
Energy: 1.0734351514694178
Energy: 1.0757618410207936
Energy: 1.0726727999781502
Energy: 1.287245534822487
Energy: 1.0746108802757608
Energy: 1.0741005654297984
Energy: 1.070715344402514
Energy: 1.0747520549050416
Energy: 1.0742425506214732
Energy: 1.2868841434865113
Energy: 1.0744680882750786
Energy: 1.0745489640603014
Energy: 1.0740693398116758
Energy: 1.0753274368294927
Energy: 1.0735520440364161
Energy: 1.4077172980227093
Energy: 1.066464950796375
Energy: 1.0658296683823383
Energy: 1.0737674478816055
Energy: 1.065971501999394
Energy: 1.0666794701989863
Energy: 1.1432260069920779
Energy: 0.9690368651889986
Energy: 1.0665462919025137
Energy: 1.0741716636350909
Energy: 1.0655716443186933
Energy: 0.9675679313285566
Energy: 0.9973845623325353
Energy: 1.066048852005332
Energy: 1.0739631377874546
Energy: 1.0739067220570835
Energy: 1.0652395519940754
Energy: 1.066704801450133
Energy: 1.1372881325334339
Energy: 1.0320823530702845
Energy: 0.969677771231661
Energy: 1.0737474814003314
Energy: 0.9659249487432017
Energy: 1.026739934860566
Energy: 0.9140494899663538
Energy: 0.8347735899911252
Energy: 1.066087513365084
Energy: 1.0661687885456124
Energy: 0.8350725625214666
Energy: 0.8335701292677571
Energy: 0.911181905263485
Energy: 1.0280975341221226
Energy: 1.0258420149696568
Energy: 1.0734510576981835
Energy: 1.0262524430998907
Energy: 0.9584674698563667
Energy: 0.9134631631411163
Energy: 0.8366750174628711
Energy: 1.0669866952374805
Energy: 1.0737904659095512
Energy: 0.8336192917763813
Energy: 0.8357340986960261
Energy: 0.9122979836134176
Energy: 0.9124904786357808
Energy: 0.840687593838244
Energy: 1.0713660025012244
Energy: 0.912107621689894
Energy: 0.8369238619015796
Energy: 0.8325500023870589
Energy: 0.8336179033684513
Energy: 0.9574063036852721
Energy: 1.0683112569602011
Energy: 0.8357097391116576
Energy: 0.8332776061661004
Energy: 0.8363176890846707
Energy: 0.9118872664959353
Energy: 0.959539076617266
Energy: 1.073738555337728
Energy: 0.9124933330586412
Energy: 0.8363921850441662
Energy: 0.847026451415697
Energy: 0.9117541157600332
Energy: 0.9648473210503912
Energy: 1.0737407473141078
Energy: 1.0271684891968118
Energy: 0.8408394272814144
Energy: 0.8334974175165998
Energy: 0.833612319871526
Energy: 1.0559986522937748
Energy: 1.057308370982341
Energy: 0.838064932392503
Energy: 0.8337747699055229
Energy: 0.9096390491973539
Energy: 0.9117944303142144
Energy: 1.026020350399435
Energy: 1.0677830170939109
Energy: 0.9118227877096609
Energy: 0.9116807198386301
Energy: 0.911249502265345
Energy: 0.8345752215900274
Energy: 1.06530393339336
Energy: 1.0739448778190428
Energy: 0.9127283945365677
Energy: 0.8352285456237039
Energy: 0.9111043131591683
Energy: 1.0282547464511924
Energy: 1.0264678103618754
Energy: 1.07493067300377
Energy: 1.0276125657101338
Energy: 0.8351556164000922
Energy: 1.1450309579168565
Energy: 0.8345232820125528
Energy: 1.0566368572240679
Energy: 1.074012517127401
Energy: 0.9583868625712016
Energy: 0.8345484658971157
Energy: 1.1449129710293071
Energy: 0.9673595208958118
Energy: 1.066085999480001
Energy: 1.0715762078575888
Energy: 0.9699079880741073
Energy: 0.9657218014442718
Energy: 1.1439978755626043
Energy: 1.0725138865609418
Energy: 1.0718959686413017
Energy: 1.073674972804327
Energy: 1.0658168517496214
Energy: 1.0660231734906458
Energy: 1.1442545828927528
Energy: 0.9669024099177193
Energy: 1.0705174153691113
Energy: 1.0726573134171837
Energy: 0.9699314182876774
Energy: 0.9664419508552167
Energy: 1.4175800254095277
Energy: 1.066178425082516
Energy: 1.0717840454653274
Energy: 1.0739634754766896
Energy: 1.066147091395266
Energy: 1.066464974100153
Energy: 1.425115322828274
Energy: 1.0749056364438268
Energy: 1.0741778021382296
Energy: 1.074777237581901
Energy: 1.075115579028522
Energy: 1.0741192954409764
Energy: 1.4247841866953916
Energy: 1.0750800248655727
Energy: 1.074305663163933
Energy: 1.0668424315509473
Energy: 1.075407718109333
Energy: 1.0740183848297913
Energy: 1.4179518274965082
Energy: 1.0749085009187591
Energy: 1.074152752003412
Energy: 1.0669452461915492
Energy: 1.0761220205264037
Energy: 1.0741491052218597
Energy: 1.4248764633230968
Energy: 1.06672538571471
Energy: 1.0672094471790874
Energy: 1.0659291948604648
Energy: 1.0668755669211227
Energy: 1.0731264054165266
Energy: 1.4326570226501507
Energy: 0.9688774719776592
Energy: 0.965661208565865
Energy: 1.0411457958306578
Energy: 0.9668822172153844
Energy: 1.0743729362379706
Energy: 1.4283634963236098
Energy: 1.0691301115752123
Energy: 1.0663095006536913
Energy: 0.8199367520646701
Energy: 1.0720305980499316
Energy: 1.0728020352089802
Energy: 1.420512353495509
Energy: 0.9696327312888919
Energy: 1.0333358361255587
Energy: 1.0396556249720652
Energy: 0.9655171155614721
Energy: 1.066768694254252
Energy: 1.4214978604052841
Energy: 1.0288998257114979
Energy: 0.8369839124562779
Energy: 0.9148290420430986
Energy: 0.8340309613901196
Energy: 1.0661822898582263
Energy: 1.4213876933313783
Energy: 1.0272576684725943
Energy: 0.9563336265797943
Energy: 0.8343940018354784
Energy: 1.027655694816957
Energy: 1.0263002050523296
Energy: 1.419665841021265
Energy: 1.0656029320808267
Energy: 0.8372299949650264
Energy: 0.8364609498553326
Energy: 0.8356319241751367
Energy: 1.0666093942435617
Energy: 1.4323827506364353
Energy: 0.911007929040621
Energy: 0.9114531349073237
Energy: 0.9110986904503586
Energy: 0.9117721140849888
Energy: 0.9652793210188265
Energy: 1.4308056092647818
Energy: 0.8344360001222006
Energy: 0.8336921051852363
Energy: 0.8332049809476103
Energy: 0.8369528837734018
Energy: 1.0675466566461684
Energy: 1.1374040838499822
Energy: 0.9651891456455348
Energy: 0.9115416184080034
Energy: 0.8394011729965135
Energy: 0.9114578225417084
Energy: 0.9630907262836034
Energy: 1.4205399609775287
Energy: 0.962838017932409
Energy: 0.8367399319216893
Energy: 0.8369002001837861
Energy: 0.9126535630045102
Energy: 0.9607146261492691
Energy: 1.2841785248775426
Energy: 0.8401590040457689
Energy: 0.8333305809029709
Energy: 0.8325840812812025
Energy: 0.8336896934101276
Energy: 1.0569272993044159

minimum gb energy = 0.8199367520646701 eV
minimum distance =  2.21642537649754 Angstroms
sigma value = 67


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

Energy: 0.2474835418517492
Energy: 0.47319905846911303
Energy: 0.38698333272179186
Energy: 0.38623028987255187
Energy: 0.4722719190114188
Energy: 0.24769328649249914
Energy: 1.3983262632248004
Energy: 0.3844573411448241
Energy: 0.3854737800762654
Energy: 0.3862734295789688
Energy: 0.3837835124711112
Energy: 0.38489267961626356
Energy: 1.399692211399314
Energy: 0.3873945648036628
Energy: 0.38758625330613494
Energy: 0.38951958383669616
Energy: 0.3865079846647783
Energy: 0.38755910518124437
Energy: 0.250993446953267
Energy: 0.38881321296410254
Energy: 0.3886680539049497
Energy: 0.3883901655649329
Energy: 0.3875569856921492
Energy: 0.25080483238765894
Energy: 0.2514941341473984
Energy: 0.388909661965358
Energy: 0.38937708186201825
Energy: 0.3899917776620542
Energy: 0.38790757220810296
Energy: 0.2514108872534733
Energy: 1.4008476866461317
Energy: 0.38774164361063845
Energy: 0.38810963825202927
Energy: 0.3877731526796949
Energy: 0.3865408743544342
Energy: 0.3883135815322898
Energy: 0.24945561453515766
Energy: 0.38570200091297135
Energy: 0.3863984769554766
Energy: 0.3890178580293094
Energy: 0.3848725784978686
Energy: 0.3861389374304766

minimum gb energy = 0.2474835418517492 eV
minimum distance =  2.42364237495725 Angstroms
sigma value = 3


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

Energy: 1.5976179394945635
Energy: 0.809732160177348
Energy: 0.8107686145986648
Energy: 0.9436168103568935
Energy: 0.8114439598573637
Energy: 1.0348684948008386
Energy: 1.2524233844150412
Energy: 0.8980978774200402
Energy: 0.8085922263950026
Energy: 0.8081674764574795
Energy: 0.8087200853927579
Energy: 0.928257396270254
Energy: 1.252821779260975
Energy: 0.8950194575335696
Energy: 0.8082873222204547
Energy: 0.8082310088718613
Energy: 0.8093471143044387
Energy: 0.8950744731229533
Energy: 1.4102763874449673
Energy: 0.8918585799687228
Energy: 0.8086950174884121
Energy: 0.809618601527732
Energy: 0.8087225626639278
Energy: 1.0041483117551786
Energy: 1.4105859254479727
Energy: 0.8922849134371368
Energy: 0.8925378146467218
Energy: 0.8920499870630023
Energy: 0.8924274207021274
Energy: 1.003832979747398
Energy: 1.2515501323707843
Energy: 0.9779028799994102
Energy: 0.8112542020663401
Energy: 0.8106044779058885
Energy: 0.8103437614019757
Energy: 1.0347535588172938
Energy: 1.7233108756055897
Energy: 0.9265999017479087
Energy: 0.8946923672372452
Energy: 0.906665242980369
Energy: 0.8950850691676515
Energy: 1.0052383001804246
Energy: 1.2514769490055622
Energy: 1.0060334879605999
Energy: 1.008930402352497
Energy: 0.9070991371028839
Energy: 1.005128012443974
Energy: 1.0451562672482881
Energy: 1.252352557149873
Energy: 0.8952676742624015
Energy: 0.9277239186932934
Energy: 0.8956832057402223
Energy: 0.9265952594423169
Energy: 0.8950611903277178
Energy: 1.2542059390894666
Energy: 1.0453524801377825
Energy: 1.004909163839815
Energy: 0.9034433242578702
Energy: 1.0043847588954113
Energy: 1.046203821269295
Energy: 1.279812886059854
Energy: 1.042575942247791
Energy: 1.0438713068038479
Energy: 1.0220884351262087
Energy: 1.0436615606280975
Energy: 1.0428875513352098
Energy: 1.2519421094582648
Energy: 1.0422403677913792
Energy: 1.0425173514579338
Energy: 1.0270639338032233
Energy: 1.0425753395362032
Energy: 1.042481238239265
Energy: 1.2515592290798092
Energy: 1.0426226890840062
Energy: 1.0451546514874566
Energy: 0.9848726746072352
Energy: 1.0443970211642124
Energy: 1.0602418505890425
Energy: 1.281297105113058
Energy: 1.054368962306863
Energy: 1.042736454313936
Energy: 1.0444423723261058
Energy: 1.05614148200938
Energy: 1.0536583970936488
Energy: 1.2522980085934867
Energy: 1.0547465355486765
Energy: 1.0549172883457825
Energy: 1.041372418889463
Energy: 1.0557260115438165
Energy: 1.0554458654303478
Energy: 1.2521643532007132
Energy: 1.0615294260183847
Energy: 1.055027748209027
Energy: 1.0342790723587012
Energy: 1.0594725821473912
Energy: 1.0552389654951253
Energy: 1.3850575669230116
Energy: 1.0501908837545022
Energy: 1.0537692876359055
Energy: 1.0534632601676166
Energy: 1.0556349375372658
Energy: 1.0435294632774146
Energy: 1.2528271887713973
Energy: 1.0456491667208654
Energy: 1.0424534242314387
Energy: 1.0780959908340817
Energy: 1.0430975407432117
Energy: 1.046133228094233
Energy: 1.2525372890526452
Energy: 1.0422863053614524
Energy: 1.0424660924365161
Energy: 1.0505146961410698
Energy: 1.0420775528001025
Energy: 1.0450820739015816
Energy: 1.1240768970176067
Energy: 1.0413663164996922
Energy: 1.042547900474563
Energy: 1.05277856894343
Energy: 1.0421879006969563
Energy: 1.0041902330210823
Energy: 1.1273408316095688
Energy: 1.0041402341022208
Energy: 1.0466912565887896
Energy: 1.077351451637711
Energy: 1.0333616099343332
Energy: 1.0042913933305995
Energy: 1.1205605326996533
Energy: 0.9267580073607027
Energy: 0.9284207591874605
Energy: 1.0801051615793635
Energy: 0.9281638369021886
Energy: 0.9271632701085413
Energy: 0.9161706998716934
Energy: 1.0055856746512717
Energy: 1.0311939492789113
Energy: 1.0524971728935488
Energy: 1.005519251246407
Energy: 0.9334056696338169
Energy: 0.8999741910733579
Energy: 0.8942991182086971
Energy: 0.9282888754155764
Energy: 1.0513612636120933
Energy: 0.9266091410990314
Energy: 0.8949686558611102
Energy: 0.9169362825785438
Energy: 0.8131398014828396
Energy: 0.8946358650870562
Energy: 1.0531452065476143
Energy: 0.8951550211198283
Energy: 0.8118719372789512
Energy: 0.9032614889362672
Energy: 0.8918466298014565
Energy: 0.9755631427081997
Energy: 1.0277230068442593
Energy: 0.8919931991706781
Energy: 0.8926733069297687
Energy: 0.8084173224828851
Energy: 0.8085020585994684
Energy: 0.9760998847592233
Energy: 1.0280368012774113
Energy: 0.8922364854540165
Energy: 0.8083086980461621
Energy: 0.8080383822193227
Energy: 0.8104643848821572
Energy: 0.8958824535453845
Energy: 1.0518114592258594
Energy: 0.8955814752086951
Energy: 0.8100116644308221
Energy: 0.8084705460748978
Energy: 0.8087831841539385
Energy: 0.9266716062137789
Energy: 1.0504058714194409
Energy: 0.8106760679127348
Energy: 0.8092416411564253
Energy: 0.8125590426992062
Energy: 0.8929597095767524
Energy: 1.0051631771094027
Energy: 1.0581149099473293
Energy: 0.8931082058862228
Energy: 0.8939725686327462
Energy: 0.9173096186546038
Energy: 0.8107366129395326
Energy: 0.9286488412278462
Energy: 1.0431159419292977
Energy: 0.810576309876729
Energy: 0.8116190583380927
Energy: 0.9016095677493376
Energy: 0.8920346313519447
Energy: 0.9320329616223932
Energy: 1.0777144811873764
Energy: 0.9324102392808848
Energy: 0.8932721197490386
Energy: 0.9061446299821985
Energy: 0.9273681840497199
Energy: 1.0047528200357219
Energy: 1.0625330626534588
Energy: 1.0048575443776426
Energy: 0.9028852937834771
Energy: 1.1212403804080966
Energy: 1.0052757322886332
Energy: 1.0042259608601616
Energy: 1.0413507278155993
Energy: 1.0042894673183866
Energy: 1.0042827259797822
Energy: 1.121187883419717
Energy: 0.926986933418752
Energy: 1.0357212907789517
Energy: 1.0591224312129466
Energy: 1.005092100561763
Energy: 1.0076385920024051
Energy: 1.1208828609437103
Energy: 1.0058804402791548
Energy: 1.0424045877415715
Energy: 1.0512823431811293
Energy: 1.0425429396125008
Energy: 1.0123520489470623
Energy: 1.123494841144209
Energy: 1.0456793877276238
Energy: 1.0442774427237083
Energy: 1.0449386573194495
Energy: 1.043570681526525
Energy: 1.043901596029018
Energy: 1.2465344301321912
Energy: 1.049870498027109
Energy: 1.0458267311353904
Energy: 1.0639856446627525
Energy: 1.0462047613887484
Energy: 1.0248043337913666
Energy: 1.2522680036186493
Energy: 1.0439485513892108
Energy: 1.0550014257291354
Energy: 1.0554328583278434
Energy: 1.0549370329405694
Energy: 1.0447729817519669
Energy: 1.2507016900303183
Energy: 1.0541427234666578
Energy: 1.0543032598109612
Energy: 1.0126990981565716
Energy: 1.0560140390800254
Energy: 1.0516299391130015
Energy: 1.2501014981691267
Energy: 1.0542811907476157
Energy: 1.053777036315332
Energy: 1.0530138875808428
Energy: 1.0544883416400195
Energy: 1.0536737756267367
Energy: 1.2498875867707342
Energy: 1.0554210162625601
Energy: 1.0546766199580586
Energy: 1.0457628993281358
Energy: 1.0560159039321013
Energy: 1.053810885464157
Energy: 1.2509298748127389
Energy: 1.0560239367681892
Energy: 1.0429567245545526
Energy: 1.0267421076367549
Energy: 1.043299959344173
Energy: 1.0558276477874238
Energy: 1.254552404219555
Energy: 1.043660071399376
Energy: 1.0454313958677808
Energy: 1.0124466997712487
Energy: 1.04632710495443
Energy: 1.0509752109872406
Energy: 1.3466380799266724
Energy: 1.044217273023359
Energy: 1.0433828121227993
Energy: 1.0238906032747994
Energy: 1.0495141211997796
Energy: 1.0542385487302453
Energy: 1.2528152154923202
Energy: 1.0432918135604952
Energy: 1.009455659935792
Energy: 0.9294653473768666
Energy: 1.0050097641453828
Energy: 1.0434177253275674
Energy: 1.2532857029656288
Energy: 0.9270179226784045
Energy: 0.926842525734433
Energy: 0.8959000486126087
Energy: 0.9264205091929355
Energy: 1.0315150129936816
Energy: 1.244620339372695
Energy: 1.0038294948110964
Energy: 1.0055208358269563
Energy: 0.928008453019352
Energy: 1.0040064356499674
Energy: 1.0287717588873229
Energy: 1.2454078029932028
Energy: 1.0039996744700987
Energy: 0.9008973929581452
Energy: 0.9044407390555955
Energy: 0.9266325520792752
Energy: 1.0283815819954785
Energy: 1.2508497580361222
Energy: 0.8939850350247422
Energy: 0.8925059160298184
Energy: 0.8933360541843787
Energy: 0.8920272177395178
Energy: 0.927072756369961
Energy: 1.873329670886416
Energy: 0.9269402340371289
Energy: 0.8110733108019907
Energy: 0.810720605180464
Energy: 0.8102285686491422
Energy: 0.9279274037748696

minimum gb energy = 0.8080383822193227 eV
minimum distance =  2.24168454210876 Angstroms
sigma value = 81


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

Energy: 1.5706757880638993
Energy: 0.9106980238689767
Energy: 0.9063187980414256
Energy: 1.0550889245965238
Energy: 0.9067647947950593
Energy: 1.1911785979153877
Energy: 1.2014573926380105
Energy: 0.9072399146145942
Energy: 0.9023340572904139
Energy: 0.9023541271444994
Energy: 0.9025328482609023
Energy: 1.0680241959089616
Energy: 1.2006026542377681
Energy: 0.9029654025657332
Energy: 0.9032120754661581
Energy: 0.903671113806888
Energy: 0.9033145302703264
Energy: 0.9045734345381453
Energy: 1.194277835724118
Energy: 1.0205745090553302
Energy: 0.9034909245490453
Energy: 0.9055459906477689
Energy: 0.9038155556146766
Energy: 1.1488220737609869
Energy: 1.1943873942645662
Energy: 1.0208115020947726
Energy: 0.9041813411572213
Energy: 0.9049205980723369
Energy: 0.9048908855899772
Energy: 1.1485306175530743
Energy: 1.200264184345863
Energy: 0.9026202544153502
Energy: 0.902476650410287
Energy: 0.90347536502731
Energy: 0.9037251168799489
Energy: 0.9034781280631932
Energy: 1.2016731777637653
Energy: 1.0680757201260787
Energy: 0.9060916015162169
Energy: 0.9622314758824724
Energy: 0.9065295998482469
Energy: 1.169193214243748
Energy: 1.2619192140946924
Energy: 1.1716289824467745
Energy: 1.184737031189367
Energy: 1.0392935491281488
Energy: 1.1838309793270594
Energy: 1.19459854495878
Energy: 1.2023946446318723
Energy: 0.9058810316721898
Energy: 1.050764570319594
Energy: 0.9598730267568076
Energy: 1.0682495451899403
Energy: 1.0524171103174542
Energy: 1.2015124930889243
Energy: 1.198579774723133
Energy: 1.1690681214706247
Energy: 0.9084631787192814
Energy: 1.1685744773979783
Energy: 1.198520156883307
Energy: 1.2606588872641153
Energy: 1.196204299246476
Energy: 1.184084376104512
Energy: 1.2144553993421552
Energy: 1.1956629277803195
Energy: 1.1962897402643276
Energy: 1.2213293106459355
Energy: 1.1954633842659192
Energy: 1.1954731689183267
Energy: 1.0997908640278768
Energy: 1.1965335679820677
Energy: 1.1951355035039941
Energy: 1.2001658322108133
Energy: 1.1613174269223907
Energy: 1.196375096554161
Energy: 1.149056783289137
Energy: 1.1987685409843376
Energy: 1.1329997949877868
Energy: 1.20115769144175
Energy: 1.1349288813807734
Energy: 1.2070054399027055
Energy: 1.1901058117224494
Energy: 1.1994989168317736
Energy: 1.1352086727751123
Energy: 1.2002646754130988
Energy: 1.1358293965441584
Energy: 1.190337353978951
Energy: 1.1882585607237175
Energy: 1.134785783279195
Energy: 0.904465125936709
Energy: 1.1033779417507177
Energy: 1.1337492570345276
Energy: 1.1830978231539127
Energy: 1.1521245463877037
Energy: 1.1384993619052695
Energy: 1.1459954773287508
Energy: 1.102838865155674
Energy: 1.079620305124649
Energy: 1.1882580929717799
Energy: 1.194304216208083
Energy: 1.1334375220528314
Energy: 0.8991153416673477
Energy: 1.112427615587012
Energy: 0.892584025059413
Energy: 0.8964868975331527
Energy: 1.19009152022643
Energy: 0.8942347113114497
Energy: 0.8923070271734787
Energy: 1.1035928796533605
Energy: 1.0723235153942774
Energy: 1.1266243567467735
Energy: 1.188197692900601
Energy: 1.126494880692314
Energy: 0.9009209783321427
Energy: 0.9718959047651821
Energy: 0.9595842209889108
Energy: 1.126678562927419
Energy: 1.1886235313931155
Energy: 1.126691794507653
Energy: 0.8994472045293787
Energy: 0.9722914540522855
Energy: 0.8914442353495211
Energy: 0.8936295633417147
Energy: 1.1980166945797381
Energy: 0.890698293326192
Energy: 0.8921629032445002
Energy: 0.968610761002488
Energy: 0.9026376454322792
Energy: 1.1893408031428674
Energy: 1.165768774799342
Energy: 0.9641149063309634
Energy: 0.9595826205827712
Energy: 0.9747470939327316
Energy: 0.9916790613394071
Energy: 1.1112052896292695
Energy: 1.1817825961097324
Energy: 0.9919648704253583
Energy: 0.9921733246055359
Energy: 1.0562720176204854
Energy: 0.986193137983556
Energy: 1.1893987781414768
Energy: 1.1994064292429736
Energy: 0.987312090602841
Energy: 0.9007387530782353
Energy: 1.0580861927092515
Energy: 0.9840944732508915
Energy: 0.9659947796157555
Energy: 1.1887531738486654
Energy: 0.9864318203060713
Energy: 0.9839597721551686
Energy: 1.0644255668018423
Energy: 1.0162233413086692
Energy: 1.1651174350827773
Energy: 1.1797730190459799
Energy: 1.1650412845906735
Energy: 0.9014300584468569
Energy: 1.200743588477167
Energy: 1.165248279576855
Energy: 1.1646156620231658
Energy: 1.1998512048310859
Energy: 1.1648244888451607
Energy: 1.165723172496051
Energy: 1.2576753259012912
Energy: 1.0657063422479915
Energy: 1.1657326092986544
Energy: 1.2181455792229399
Energy: 1.063898130738947
Energy: 1.0625122061174355
Energy: 1.201264050246623
Energy: 1.1655605688122126
Energy: 1.2000196126655616
Energy: 1.2184343566177673
Energy: 1.2022753240204875
Energy: 1.1657813326696784
Energy: 1.2002910989806588
Energy: 1.21277465592269
Energy: 1.2010130887757573
Energy: 1.0779374391090935
Energy: 1.2004400558517279
Energy: 1.2027680593820456
Energy: 1.2565121551530785
Energy: 1.201899335512547
Energy: 1.2020211800202396
Energy: 1.2075134259598757
Energy: 1.2013637899854168
Energy: 1.1781153199846415
Energy: 1.2019638118676246
Energy: 1.2000275678859162
Energy: 1.1704180249231264
Energy: 1.2074481059102578
Energy: 1.1193886534382986
Energy: 1.200073618576996
Energy: 1.2000639265466995
Energy: 1.1701597784071454
Energy: 1.1727844444263202
Energy: 0.904522686726865
Energy: 1.1214463627655182
Energy: 1.2000873314168217
Energy: 1.226285429886987
Energy: 1.1697164383333134
Energy: 1.1698090199021225
Energy: 0.9049838499105041
Energy: 1.1701658689281589
Energy: 1.1793952817064925
Energy: 1.2565152949556921
Energy: 1.1708678045731093
Energy: 0.9088631578175538
Energy: 1.0426271619620053
Energy: 1.0709941034164048
Energy: 1.1807594939311983
Energy: 1.2016497326292745
Energy: 0.905528512490001
Energy: 1.0209820280767987
Energy: 0.9054817463426745
Energy: 1.0211575084278373
Energy: 0.905484566970194
Energy: 1.2022298287920947
Energy: 0.9057350192818887
Energy: 0.904162451096949
Energy: 0.9031534407803723
Energy: 0.903636825049303
Energy: 0.904634179493014
Energy: 1.2659966768744344
Energy: 1.023666925257743
Energy: 0.904882882648783
Energy: 0.9127454968882778
Energy: 1.0234721455944054
Energy: 1.1829017495120646

minimum gb energy = 0.890698293326192 eV
minimum distance =  2.24419756434429 Angstroms
sigma value = 43


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

Energy: 1.231298415176908
Energy: 0.9778859087741991
Energy: 1.1300535081685525
Energy: 0.967576156689581
Energy: 0.9704545443504683
Energy: 1.2852825103259695
Energy: 1.3513673620476852
Energy: 0.9709226366734204
Energy: 0.9662336912766158
Energy: 0.9660355017132591
Energy: 0.9661858648803827
Energy: 1.2824034215271487
Energy: 1.3500170206503934
Energy: 1.2660792875467344
Energy: 0.9678982566519265
Energy: 0.9680012101478477
Energy: 0.9676912726303646
Energy: 1.3029151247095947
Energy: 1.2224415876466928
Energy: 0.9681577525081738
Energy: 0.9684598522120706
Energy: 0.9688322924389361
Energy: 0.9697167659904969
Energy: 1.264661254400389
Energy: 1.222031373672437
Energy: 0.9676651273522746
Energy: 0.9680796469823363
Energy: 0.9685206764944251
Energy: 0.9682230018100073
Energy: 1.264570064301256
Energy: 1.3496033373472582
Energy: 0.9663724156961534
Energy: 0.967094088082355
Energy: 0.9663304955202093
Energy: 0.9666701567872933
Energy: 1.3419217738127778
Energy: 1.3514815411643535
Energy: 1.2816516468204033
Energy: 0.9698866394047077
Energy: 0.9505444515297895
Energy: 0.9701279124573375
Energy: 1.281377098781522
Energy: 1.4539257971320139
Energy: 1.282910485960851
Energy: 1.2913403988096785
Energy: 0.9601081171290151
Energy: 1.2929275868252075
Energy: 1.2878991058541243
Energy: 1.3508546599584508
Energy: 1.2977495434887099
Energy: 1.1640131483140599
Energy: 0.9556340896755636
Energy: 1.2822541204207145
Energy: 1.2547926714393514
Energy: 1.3512469116209924
Energy: 1.2468429244971047
Energy: 1.2819051882197643
Energy: 0.9477718371466095
Energy: 1.2816794939885885
Energy: 1.2484295408558042
Energy: 1.3503130224685298
Energy: 1.2434141998438957
Energy: 1.2892305254505148
Energy: 1.2245924182234205
Energy: 1.2429436985265874
Energy: 0.9599988018031623
Energy: 1.350783690833826
Energy: 1.2435033372525646
Energy: 1.2433063708556857
Energy: 1.2941250569277365
Energy: 1.2430774984644974
Energy: 0.958396202982047
Energy: 1.225516953151693
Energy: 1.2284622666121292
Energy: 1.293004746725211
Energy: 1.2649676793086126
Energy: 1.2453576888745206
Energy: 0.9525171179079363
Energy: 1.2244405692395208
Energy: 0.9537998819784751
Energy: 1.296663797983266
Energy: 1.2384458544287982
Energy: 0.9602613597842466
Energy: 0.9542786337208428
Energy: 1.2349744207021438
Energy: 0.9494417598105098
Energy: 0.9489366274364994
Energy: 0.9608378642293333
Energy: 0.9499435410888561
Energy: 0.948867525280893
Energy: 1.0314695624729018
Energy: 0.9517371389967625
Energy: 1.2402609126325945
Energy: 1.2385374913555314
Energy: 1.2401292423416987
Energy: 0.9574991286963894
Energy: 1.052643039157957
Energy: 0.9511625583935351
Energy: 0.9550916799521325
Energy: 0.9581733188943885
Energy: 0.9542933438649074
Energy: 0.9491224159856049
Energy: 1.0507483252929977
Energy: 0.9528674126073132
Energy: 0.9527984985180624
Energy: 1.3146464866529772
Energy: 0.9509007604819362
Energy: 0.9504066559843599
Energy: 1.0473284348350942
Energy: 0.9483315083763448
Energy: 0.9489172634388107
Energy: 1.2979632482903882
Energy: 0.9490656726237062
Energy: 0.9613400387585765
Energy: 1.1635980806084198
Energy: 0.948813508892262
Energy: 0.9489375550711856
Energy: 1.2645508532044587
Energy: 1.0706554296843003
Energy: 0.9494527310874927
Energy: 1.163650670500545
Energy: 0.9593099326053819
Energy: 0.9589316882356154
Energy: 1.3383959072966494
Energy: 0.9580467949343867
Energy: 0.9597482185302743
Energy: 1.162788710634251
Energy: 0.9490459875162327
Energy: 1.2836832972240106
Energy: 0.9474861355033987
Energy: 1.2836594930013387
Energy: 0.9494278754038544
Energy: 1.1714806254072254
Energy: 1.2829474000152434
Energy: 1.2986548516704621
Energy: 0.9569647649283989
Energy: 1.2980307678731222
Energy: 0.9501235405499994
Energy: 1.229947656344305
Energy: 1.285349162754689
Energy: 1.2964782388362743
Energy: 0.9556918409186205
Energy: 1.2841565847544922
Energy: 0.960307586602377
Energy: 1.350612996072807
Energy: 1.2824732920486104
Energy: 1.2310793516546121
Energy: 0.9555842276804665
Energy: 1.2839565495323129
Energy: 1.1660881052069278
Energy: 1.3502275311341105
Energy: 1.2884004198674692
Energy: 1.234828665856214
Energy: 0.969690883513228
Energy: 1.2889647689615373
Energy: 1.2835358079205157
Energy: 1.2314658480987042
Energy: 1.2882841120873738
Energy: 1.234692277708071
Energy: 0.9702124044592546
Energy: 1.2889439595186678
Energy: 1.2884501925960876
Energy: 1.2315149896876878
Energy: 1.2894593160521588
Energy: 0.9719915025971366
Energy: 1.1451288484720874
Energy: 1.2308861834737075
Energy: 1.2854265857150229
Energy: 1.3510857298995351
Energy: 1.2895410361801
Energy: 0.9698631784849749
Energy: 0.9688543698178508
Energy: 0.9688105614725611
Energy: 1.3031788873120889
Energy: 1.350908034341768
Energy: 0.9662987253612726
Energy: 0.9663030465670766
Energy: 0.9670080963816402
Energy: 0.9665690115256867
Energy: 1.2971259564059043
Energy: 1.2313653566557263
Energy: 0.9691707935152482
Energy: 0.9694007828838173
Energy: 0.9652960315253746
Energy: 0.9692054080365384
Energy: 0.9576809983708203

minimum gb energy = 0.9474861355033987 eV
minimum distance =  2.26061252383669 Angstroms
sigma value = 57


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

Energy: 1.5881970717034803
Energy: 1.030500563841773
Energy: 1.026908495001037
Energy: 1.027397503678532
Energy: 1.0256335407161534
Energy: 1.4090298096005813
Energy: 1.0267629264212452
Energy: 1.2259202814998627
Energy: 1.025123894997506
Energy: 1.0256116870829792
Energy: 1.0253151147706503
Energy: 1.2595453566275716
Energy: 1.0293618016244965
Energy: 1.4237723474757114
Energy: 1.0274525371670309
Energy: 1.0296815489821638
Energy: 1.0268524624591144
Energy: 1.422008220554313
Energy: 1.0224543312691383
Energy: 1.027151807799414
Energy: 1.0297514159974122
Energy: 1.0289032824934368
Energy: 1.0296018939577645
Energy: 1.2563389971866121
Energy: 1.022637799078344
Energy: 1.026899963746466
Energy: 1.0279789523143317
Energy: 1.0276634381361625
Energy: 1.0288468155666741
Energy: 1.2566685189869486
Energy: 1.0434147164794922
Energy: 1.399162028440015
Energy: 1.027135246869026
Energy: 1.0259405476050418
Energy: 1.0264720991923233
Energy: 1.0269852027101944
Energy: 1.0256829755771613
Energy: 1.4052731210462022
Energy: 1.0307305715804684
Energy: 1.0275934248838479
Energy: 1.0303809814673817
Energy: 1.2624228188889524
Energy: 1.0236838614824961
Energy: 1.4061927869554274
Energy: 1.2770548679816887
Energy: 1.0281026600071372
Energy: 1.4205658635254867
Energy: 1.4011191997159322
Energy: 1.027443972696389
Energy: 1.2617945384186635
Energy: 1.3946059131891462
Energy: 1.0229432162679026
Energy: 1.405808402600811
Energy: 1.2576303342616244
Energy: 1.027789958840154
Energy: 1.030161358510409
Energy: 1.4092359575735027
Energy: 1.0214189740460557
Energy: 1.406664217300545
Energy: 1.031459147610475
Energy: 1.0286590396914048
Energy: 1.0268098018861664
Energy: 1.4225977408257768
Energy: 1.0266143852575054
Energy: 1.4019119152884743
Energy: 1.0251871065860492
Energy: 1.0271708721308108
Energy: 1.028635855069989
Energy: 1.0271611323212544
Energy: 1.0255427918154283
Energy: 1.0268817761703968
Energy: 1.0271451676707615
Energy: 1.0345432039145495
Energy: 1.0310677867918023
Energy: 1.394288374047359
Energy: 1.394106968190648
Energy: 1.027636236822723
Energy: 1.0309586551506167
Energy: 1.0283531287347263
Energy: 1.0293729260257727
Energy: 1.3994031471295232
Energy: 1.0268426609910986
Energy: 1.0271766179855062
Energy: 1.029374794554393
Energy: 1.025664081176714
Energy: 1.0252105801002074
Energy: 1.3986785985765773
Energy: 1.0328335898021566
Energy: 1.2266739600251075
Energy: 1.0252159464255683
Energy: 1.0261189835719433
Energy: 1.0261052905333434
Energy: 1.4042476566866442
Energy: 1.024664827178783
Energy: 1.0277697285318828
Energy: 1.025801824130513
Energy: 1.0287609774399713
Energy: 1.0288227259101905
Energy: 1.2258705429754573
Energy: 1.030251079936258
Energy: 1.2246107683296825
Energy: 1.0255907403156586
Energy: 1.028394624200134
Energy: 1.2232881734883483
Energy: 1.2768179795993664
Energy: 1.0287237497333659
Energy: 1.0270028504128248
Energy: 1.0262870301413025
Energy: 1.0431689978954868
Energy: 1.2611529958949053
Energy: 1.4044529208794172
Energy: 1.2587752816260276
Energy: 1.4070744141126232
Energy: 1.0300597837722278
Energy: 1.0253585144405946
Energy: 1.2594822206119691
Energy: 1.4047241855464825
Energy: 1.2625145572222423
Energy: 1.4075439068769322
Energy: 1.263992677044427
Energy: 1.0238714296385374
Energy: 1.4069267700377828
Energy: 1.2691488525835473
Energy: 1.0429385482132079
Energy: 1.4048038561068983
Energy: 1.395564265653061
Energy: 1.0263334002511026
Energy: 1.4048672301788534
Energy: 1.0302140369025459
Energy: 1.029026966979108
Energy: 1.0279802277762176
Energy: 1.2605764725042898
Energy: 1.0285461464130135
Energy: 1.399073844751183
Energy: 1.0271815982512098
Energy: 1.028699567562847
Energy: 1.2367550330339931
Energy: 1.028419633999601
Energy: 1.021426090595961
Energy: 1.0277188904041514
Energy: 1.0295327844239144
Energy: 1.0271487214542327
Energy: 1.0275779824302744
Energy: 1.3948166424683226

minimum gb energy = 1.0214189740460557 eV
minimum distance =  2.22161564498787 Angstroms
sigma value = 17


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

Energy: 2.2101442490495984
Energy: 1.1030733098275365
Energy: 1.1019096664899093
Energy: 1.1026034565256424
Energy: 1.11942259229549
Energy: 1.5691895472268818
Energy: 1.1157839327825603
Energy: 1.203797215494501
Energy: 1.1009874993179722
Energy: 1.1026776527540216
Energy: 1.1008397516771071
Energy: 1.0986490523396122
Energy: 1.1028489262267662
Energy: 1.3699034375387285
Energy: 1.0966953064849094
Energy: 1.0988435946662034
Energy: 1.096615259235163
Energy: 1.1022073992841148
Energy: 1.110574002437991
Energy: 1.1044469422280123
Energy: 1.0992156817692817
Energy: 1.0987843236079935
Energy: 1.0990342806997113
Energy: 1.2132442843876587
Energy: 1.1103179312267477
Energy: 1.2142576741178934
Energy: 1.0985911855010795
Energy: 1.1187651986352842
Energy: 1.0986616427367815
Energy: 1.2122006370750693
Energy: 1.1021801744210422
Energy: 1.2043034075939127
Energy: 1.368668942303781
Energy: 1.09393518778027
Energy: 1.3687932767524515
Energy: 1.1029619618160016
Energy: 1.1176723065015022
Energy: 1.0993385699025158
Energy: 1.100685993182434
Energy: 1.1161954590494343
Energy: 1.212493762814019
Energy: 1.1045443501009062
Energy: 1.1024784053253078
Energy: 1.3697311483573453
Energy: 1.1171982918089678
Energy: 1.1159857168566416
Energy: 1.3678611001228849
Energy: 1.0988519647975854
Energy: 1.1175889306313898
Energy: 1.1024295094781023
Energy: 1.5614278479419983
Energy: 1.0960011438002155
Energy: 1.1044756403361056
Energy: 1.1157331150391945
Energy: 1.1078268061582774
Energy: 1.1034223249145467
Energy: 1.214487627756453
Energy: 1.0948523125939797
Energy: 1.1038173657371129
Energy: 1.1035631110000812
Energy: 1.0969641685569644
Energy: 1.096761555996231
Energy: 1.10374578726089
Energy: 1.1020747801841817
Energy: 1.0966426607727022
Energy: 1.09675789753364
Energy: 1.1020126150255423
Energy: 1.1048451631894007
Energy: 1.2137409907246517
Energy: 1.0954958787188926
Energy: 1.0988686325038879
Energy: 1.1051271329782348
Energy: 1.1168788941102648
Energy: 1.099392592495534
Energy: 1.1044313803340062
Energy: 1.09366501251981
Energy: 1.104184382248436
Energy: 1.115720178463494
Energy: 1.0921566437405223
Energy: 1.3709438908384597
Energy: 1.2041798644945505
Energy: 1.1176469567290832
Energy: 1.3704623006885985
Energy: 1.0917855847759792
Energy: 1.1174877381440547
Energy: 1.09901727197955
Energy: 1.0991071924389813
Energy: 1.116183142320054
Energy: 1.2118935219600413
Energy: 1.099149309060488
Energy: 1.1016634281937192
Energy: 1.1124168612249596
Energy: 1.370946944566689
Energy: 1.0973446959514463
Energy: 1.3697082964711635
Energy: 1.102297457652153
Energy: 1.0923993885611596
Energy: 1.206003879557542
Energy: 1.0996715513384576
Energy: 1.117342290460805
Energy: 1.0990305758848082
Energy: 1.0977441591227692

minimum gb energy = 1.0917855847759792 eV
minimum distance =  2.26007924137186 Angstroms
sigma value = 17


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

Energy: 2.356328591433326
Energy: 1.1421814892098991
Energy: 1.1514469885791356
Energy: 1.1486871325133234
Energy: 1.1504556974830393
Energy: 1.1149395071441783
Energy: 1.1476827919754875
Energy: 1.1472749822772688
Energy: 1.1481684599307556
Energy: 1.1511186226613
Energy: 1.146487458254863
Energy: 1.193844847348005
Energy: 1.1425781084796314
Energy: 1.322866919041208
Energy: 1.148221304768012
Energy: 1.150199902564119
Energy: 1.148026328194191
Energy: 1.0998011134438932
Energy: 1.3304830780646635
Energy: 1.5657980244361094
Energy: 1.1459833686672631
Energy: 1.1535488175925301
Energy: 1.1484295607218329
Energy: 1.3273205684532186
Energy: 1.1477907213913834
Energy: 1.3245378178728529
Energy: 1.3297938417918
Energy: 1.1422116508058784
Energy: 1.3256669561402912
Energy: 1.324792923221999
Energy: 1.1460154862676044
Energy: 1.1503941887936249
Energy: 1.515273349694821
Energy: 1.1052612812479725
Energy: 1.3230573896647022
Energy: 1.1480619007820347
Energy: 1.1539781634460038
Energy: 1.14860624183231
Energy: 1.3251658847192007
Energy: 1.1423783958781497
Energy: 1.1442176353500833
Energy: 1.1484382830603272
Energy: 1.1487575581916447
Energy: 1.1475526589960447
Energy: 1.146497589568406
Energy: 1.1435239808218742
Energy: 1.1472081027732375
Energy: 1.1478522581935446
Energy: 1.141391651245359
Energy: 1.1468030077744513
Energy: 1.3337985580492602
Energy: 1.1478122724957782
Energy: 1.1457686639915852
Energy: 1.1447621472873748
Energy: 1.3745708286027971
Energy: 1.1488189088958356
Energy: 1.1467778690438117
Energy: 1.2207306951678782
Energy: 1.1469683206503174
Energy: 1.148433167288714
Energy: 1.3747648735086955
Energy: 1.1460627838562352
Energy: 1.1030254238459918
Energy: 1.1455190485893922
Energy: 1.1466988205454833
Energy: 1.1466441471776423
Energy: 1.3685862049797295
Energy: 1.1448127266999388
Energy: 1.0989304147056782
Energy: 1.1015133605625702
Energy: 1.3358749884726964
Energy: 1.1465114023543348
Energy: 1.2200415374987525
Energy: 1.3334626499967133
Energy: 1.3744462726931073
Energy: 1.104591414137793
Energy: 1.3742852800346996
Energy: 1.1470248462415769
Energy: 1.1048800997576236
Energy: 1.0994429877114067
Energy: 1.100173415103622
Energy: 1.0991358367773914
Energy: 1.1019018873273063
Energy: 1.5169971894823777
Energy: 1.3858919023816192
Energy: 1.0981716618006534
Energy: 1.0988300321277502
Energy: 1.1052439041964666
Energy: 1.0994577349217833
Energy: 1.5143429301361906
Energy: 1.222393632697245
Energy: 1.0978644853680752
Energy: 1.0986854939927244
Energy: 1.098910762552214
Energy: 1.0985281248963195
Energy: 1.118623589677362
Energy: 1.3301651236584258
Energy: 1.3351616590150408
Energy: 1.1002198181584122
Energy: 1.1042132052332403
Energy: 1.0992470715291673
Energy: 1.323657191200857
Energy: 1.343484287823409
Energy: 1.3344588788003457
Energy: 1.103101231412098
Energy: 1.3397363355036678
Energy: 1.1027884118995914
Energy: 1.323751685779502
Energy: 1.1654173550864533
Energy: 1.230789593114288
Energy: 1.376233625968188
Energy: 1.1004373463453172
Energy: 1.3356375925133235
Energy: 1.1479481005500822
Energy: 1.3683050219348034
Energy: 1.14230301564741
Energy: 1.1018900733711752
Energy: 1.1193725358230335
Energy: 1.3345521143180317
Energy: 1.1495125659990575
Energy: 1.3767786854964323
Energy: 1.1460582529617978
Energy: 1.5229121084131385
Energy: 1.1517819428708493
Energy: 1.1483353980168383
Energy: 1.146424378530735
Energy: 1.15762880481599
Energy: 1.1450901090213226
Energy: 1.0966343648646584
Energy: 1.5243487396625852
Energy: 1.1428005328361732
Energy: 1.144879197397098
Energy: 1.1596780380394083
Energy: 1.1497716576472778
Energy: 1.1420888987334283
Energy: 1.1778476649406655
Energy: 1.1492736106881565
Energy: 1.1495446984400837
Energy: 1.1469560440167745
Energy: 1.14667678858401
Energy: 1.1832938137250915
Energy: 1.1447752130777211
Energy: 1.1470804096665936
Energy: 1.1467891357015405
Energy: 1.1413975375610592
Energy: 1.1463526077004658
Energy: 1.3273673901080558
Energy: 1.101567830062154
Energy: 1.3249804873416509
Energy: 1.1456811859593872
Energy: 1.1429667306106954
Energy: 1.3221432427877924
Energy: 1.5655933870706389
Energy: 1.1021020858099755
Energy: 1.3221785931010013
Energy: 1.1458039828758433
Energy: 1.102739111956958
Energy: 1.320072234044093
Energy: 1.1507819129942831
Energy: 1.143061774812614
Energy: 1.3228422252261869
Energy: 1.098723769133506
Energy: 1.0968177300373216
Energy: 1.32514926079451
Energy: 1.145976358220361
Energy: 1.142672585525689
Energy: 1.14656053393635
Energy: 1.3264941482522272
Energy: 1.1447157931301248
Energy: 1.1459954827617937
Energy: 1.146915952091642
Energy: 1.1465517697141285
Energy: 1.1466715602145252
Energy: 1.10084225270346
Energy: 1.342440769747225
Energy: 1.1434335504583348
Energy: 1.1500433547672775
Energy: 1.1595925650508292
Energy: 1.1502279829035411
Energy: 1.3328726010856282
Energy: 1.327886747732238
Energy: 1.1422731658984953
Energy: 1.1444697289490195
Energy: 1.1577318956562044
Energy: 1.1441773271721423
Energy: 1.3333467532574848
Energy: 1.1523146423102775
Energy: 1.1464001393376715
Energy: 1.1461873920508538
Energy: 1.1476997843704164
Energy: 1.1461075553759483
Energy: 1.0998981475920993
Energy: 1.339899000511828
Energy: 1.3204859046757154
Energy: 1.1428631387554642
Energy: 1.1468248348946288
Energy: 1.1428881801749446
Energy: 1.1021304340666644
Energy: 1.3316036575284376
Energy: 1.5366476583493838
Energy: 1.1457685778796896
Energy: 1.2232656789123084
Energy: 1.3371174946088706
Energy: 1.3737590939467557
Energy: 1.1013567735778245
Energy: 1.1031766962488012
Energy: 1.5159389633627853
Energy: 1.0995371351196221
Energy: 1.3358637038004486
Energy: 1.1024353084648955
Energy: 1.0989381442287174
Energy: 1.1036815725103128
Energy: 1.334097328595663
Energy: 1.0961251892482895
Energy: 1.102638522846608
Energy: 1.1032316998321905
Energy: 1.0987589740272268
Energy: 1.0983351445779654
Energy: 1.0976249609173405
Energy: 1.222737306284199
Energy: 1.0982113585501674
Energy: 1.098408988550507
Energy: 1.1050528409081546
Energy: 1.0999440504768863
Energy: 1.3337354973211544
Energy: 1.1495445561131776
Energy: 1.1003504354771172
Energy: 1.0995989963136175
Energy: 1.1057843220968429
Energy: 1.1018492037268253
Energy: 1.5163738895111336
Energy: 1.1477019386947651
Energy: 1.1002805994478297
Energy: 1.100570234003923
Energy: 1.5506176052806746
Energy: 1.3757286053474793
Energy: 1.3240866188638565
Energy: 1.2203547697495492
Energy: 1.333918890891275
Energy: 1.098081998117078
Energy: 1.3309826348338418
Energy: 1.3332926415950286
Energy: 1.1455159134737003
Energy: 1.150309499869347
Energy: 1.1442389322786721
Energy: 1.099737129258814
Energy: 1.3428255259738155
Energy: 1.3828829920655556
Energy: 1.1460170875635916
Energy: 1.14749406829703
Energy: 1.1459991342909068
Energy: 1.1027010707412699
Energy: 1.3877585095279696
Energy: 1.1468819282144656
Energy: 1.148955189208115
Energy: 1.1542337523010995
Energy: 1.1471075431284452
Energy: 1.0964023906889044

minimum gb energy = 1.0961251892482895 eV
minimum distance =  2.25374220290813 Angstroms
sigma value = 57


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

Energy: 2.1372167678197607
Energy: 1.1696674397302362
Energy: 1.171226276476984
Energy: 1.37242666242281
Energy: 1.1887616164444708
Energy: 1.130905161404653
Energy: 1.1915695142656177
Energy: 1.1655889269832749
Energy: 1.168604235783314
Energy: 1.178075599426362
Energy: 1.1689871989333787
Energy: 1.1682364358000894
Energy: 1.219564780108939
Energy: 1.3334758301372462
Energy: 1.1682917735489473
Energy: 1.172569648989761
Energy: 1.168466751653521
Energy: 1.2260292833798971
Energy: 1.6864385179999282
Energy: 1.3328906911024583
Energy: 1.1682603492606356
Energy: 1.1656461787346126
Energy: 1.169835054731204
Energy: 1.4170032422280552
Energy: 1.1947825483325667
Energy: 1.415736543175429
Energy: 1.332800169370881
Energy: 1.1193129077696589
Energy: 1.3353618096851434
Energy: 1.415269298751027
Energy: 1.1857003756357802
Energy: 1.1930221949330415
Energy: 1.29040685813765
Energy: 1.1127626136682143
Energy: 1.1894212267382827
Energy: 1.1894868423966451
Energy: 1.1976208634573806
Energy: 1.1933365249351795
Energy: 1.334369752328471
Energy: 1.1655758935112264
Energy: 1.1861160692492392
Energy: 1.1932995363465804
Energy: 1.1945665320386938
Energy: 1.1924845091054577
Energy: 1.199026121239608
Energy: 1.18105368224928
Energy: 1.1918884351164947
Energy: 1.1923975113331575
Energy: 1.1917976261910324
Energy: 1.1978084924008527
Energy: 1.4026399828231617
Energy: 1.4271542542335975
Energy: 1.1854401443558127
Energy: 1.1954055882350672
Energy: 1.2268367657740968
Energy: 1.1911295109680913
Energy: 1.202520584076512
Energy: 1.1870068121792248
Energy: 1.200665602372507
Energy: 1.192422302322102
Energy: 1.3829043387270206
Energy: 1.1928364450817635
Energy: 1.0762564927504104
Energy: 1.2914924275891684
Energy: 1.2177462535056456
Energy: 1.193089969087545
Energy: 1.2153399110999301
Energy: 1.375111911881464
Energy: 1.075500274744187
Energy: 1.0816145425872485
Energy: 1.0754001179726025
Energy: 1.1925695349971988
Energy: 1.2129962272823722
Energy: 1.0724560611973277
Energy: 1.0746005333086013
Energy: 1.080385522106661
Energy: 1.0724778808409454
Energy: 1.2046325487207727
Energy: 1.8151599369697822
Energy: 1.074366491429106
Energy: 1.0882186107121747
Energy: 1.1642089600744754
Energy: 1.0750508141827588
Energy: 1.5910775977860505
Energy: 1.2151828150430768
Energy: 1.072596181629823
Energy: 1.0737085855350084
Energy: 1.0778372604002395
Energy: 1.0735737715429887
Energy: 1.588716310054055
Energy: 1.2170430051963264
Energy: 1.074708524022251
Energy: 1.073478459434023
Energy: 1.0741605797983529
Energy: 1.0732104991297382
Energy: 1.2445037988691434
Energy: 1.6842324146552738
Energy: 1.419184931692877
Energy: 1.0744068319237008
Energy: 1.0796841681270608
Energy: 1.0740136463019438
Energy: 1.4186722502923024
Energy: 1.2182570440514615
Energy: 1.4209103356708102
Energy: 1.3415523501775717
Energy: 1.1835017956619973
Energy: 1.33626761541072
Energy: 1.4181783826147345
Energy: 1.1844022423239153
Energy: 1.1904990078696938
Energy: 1.3168235249321043
Energy: 1.1219462993402363
Energy: 1.1959169344487213
Energy: 1.1885756087940176
Energy: 1.2047077872823122
Energy: 1.195619081423177
Energy: 1.3399546852230155
Energy: 1.173059741924705
Energy: 1.184964541953491
Energy: 1.1953334985238353
Energy: 1.1939969288935568
Energy: 1.191305456584325
Energy: 1.1919436983886127
Energy: 1.1942090943880284
Energy: 1.1922548678703808
Energy: 1.1924503408097253
Energy: 1.1924628094352996
Energy: 1.1980572803281606
Energy: 1.5511671628305876
Energy: 1.4040011961179737
Energy: 1.195726021388639
Energy: 1.196678881838284
Energy: 1.2225015086121718
Energy: 1.1958731823261433
Energy: 1.3773938297192965
Energy: 1.2228176621392945
Energy: 1.3772780723586362
Energy: 1.1953841228761883
Energy: 1.3846501994853213
Energy: 1.3972290611623754
Energy: 1.1666456358924628
Energy: 1.1906613350374513
Energy: 1.3966614700661708
Energy: 1.1940355800143139
Energy: 1.2328348620785476
Energy: 1.3696513475609122
Energy: 1.1706014512595073
Energy: 1.1672611322612565
Energy: 1.1687844245488268
Energy: 1.1970757417784683
Energy: 1.2168735153352142
Energy: 1.1697683906544782
Energy: 1.1691743555018732
Energy: 1.1727461992231738
Energy: 1.1674947830552527
Energy: 1.1873075015206342
Energy: 1.692198856316993
Energy: 1.1655360660279102
Energy: 1.185378717222387
Energy: 1.1830202219494859
Energy: 1.1668392358452615
Energy: 1.384986311645421

minimum gb energy = 1.0724560611973277 eV
minimum distance =  2.18421808805969 Angstroms
sigma value = 43


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

Energy: 1.225730513097343
Energy: 1.177585334677439
Energy: 1.1789739778585633
Energy: 1.1825624990291932
Energy: 1.1769219223120762
Energy: 1.6130440239763328
Energy: 1.1207318558201274
Energy: 1.181061778047427
Energy: 1.181212133347364
Energy: 1.1818916487554088
Energy: 1.1809687837356468
Energy: 1.1782885989151584
Energy: 1.2170121610727598
Energy: 1.2260859650013185
Energy: 1.1794083024759558
Energy: 1.184358348388554
Energy: 1.1798677624082452
Energy: 1.1233037537368034
Energy: 1.23972701227734
Energy: 1.1215030938513177
Energy: 1.1788928996619907
Energy: 1.1781983468551227
Energy: 1.179510146008118
Energy: 1.1220210380909066
Energy: 1.4831319926474993
Energy: 1.1220896141976464
Energy: 1.22275045008963
Energy: 1.2344819686924484
Energy: 1.2184508644081282
Energy: 1.1232404693555211
Energy: 1.1207087624637453
Energy: 1.1219433829791958
Energy: 1.6074256391724004
Energy: 1.1194813634315661
Energy: 1.1220249617894835
Energy: 1.1211411418087096
Energy: 1.125164443175176
Energy: 1.1222213434512254
Energy: 1.2264062869764842
Energy: 1.1773003426356432
Energy: 1.1220745139032642
Energy: 1.1217127823157527
Energy: 1.1269664247622726
Energy: 1.1221350742308533
Energy: 1.2259018735344918
Energy: 1.1805214692297843
Energy: 1.1224287065669951
Energy: 1.1218773873476726
Energy: 1.1218439643258775
Energy: 1.124068606360595
Energy: 1.1221026337922304
Energy: 1.1201020439649987
Energy: 1.1217692355729603
Energy: 1.1224092011267786
Energy: 1.6007493156194263
Energy: 1.1227916487140148
Energy: 1.396370352922368
Energy: 1.2890809426513499
Energy: 1.5879648682062564
Energy: 1.1236755455644334
Energy: 1.7127972376482643
Energy: 1.1218121324318342
Energy: 1.1792430526606617
Energy: 1.1778726377095097
Energy: 1.3795135864315378
Energy: 1.1201979212299311
Energy: 1.4791807109166188
Energy: 1.225597977094387
Energy: 1.1803799120239036
Energy: 1.186867007223384
Energy: 1.1806796970069975
Energy: 1.1233030859790882
Energy: 1.1210490769355792
Energy: 1.179990288013963
Energy: 1.1792978729638652
Energy: 1.1818453261248891
Energy: 1.1794590355531234
Energy: 1.3906466465169278
Energy: 1.4743754333953356
Energy: 1.1790124812013199
Energy: 1.1772468286251303
Energy: 1.1763047945123584
Energy: 1.1770987042538565
Energy: 1.2258874404803453
Energy: 1.290426373979279
Energy: 1.1780903386867547
Energy: 1.1805901767073124
Energy: 1.1807073176419354
Energy: 1.1802179046720076
Energy: 1.1782120384135248
Energy: 1.2168045393688458
Energy: 1.1787148482543621
Energy: 1.179868957846991
Energy: 1.1812709995538795
Energy: 1.1782127455554963
Energy: 1.1782713907839748
Energy: 1.4787033312416458
Energy: 1.1804838183948008
Energy: 1.180235976214772
Energy: 1.2172312931412734
Energy: 1.3357794473347366
Energy: 1.1793796543922495
Energy: 1.479632077553229
Energy: 1.1800654196021227
Energy: 1.1787218471375416
Energy: 1.224812170026891
Energy: 1.1802309379966645
Energy: 1.179948750794531
Energy: 1.1828117319470528
Energy: 1.1781610800886595
Energy: 1.1825961473602704
Energy: 1.6135001133872817
Energy: 1.1776231535031747
Energy: 1.1810685952578022
Energy: 1.181900963316087
Energy: 1.1812746603079114
Energy: 1.1759585536181667
Energy: 1.1212452947901947
Energy: 1.1809332109879809
Energy: 1.181464409943211
Energy: 1.1830443378196778
Energy: 1.179600504637747
Energy: 1.1239328072291441
Energy: 1.2167709681146794
Energy: 1.1787677131754806
Energy: 1.1794146162757695
Energy: 1.1783667903192698
Energy: 1.178786145714024
Energy: 1.3822666258264613
Energy: 1.1222671631786214
Energy: 1.577390467801666
Energy: 1.1791151243276037
Energy: 1.2345678908640345
Energy: 1.2266631213790204
Energy: 1.1229844537894882
Energy: 1.1799720796608897
Energy: 1.1218610754424765
Energy: 1.2270205550759299
Energy: 1.7090670199188285
Energy: 1.1221502788929705
Energy: 1.1212735978557482
Energy: 1.120610405066106
Energy: 1.1228623482090936
Energy: 1.6096888630798
Energy: 1.1809308048727234
Energy: 1.1216090464976718
Energy: 1.1219363074084123
Energy: 1.1233344359161108
Energy: 1.122348940543449
Energy: 1.2270738201345854
Energy: 1.1773474482318629
Energy: 1.1224958091959991
Energy: 1.1220414955319402
Energy: 1.1280223388693609
Energy: 1.122309302164319
Energy: 1.2320576776767513
Energy: 1.4760837139810883
Energy: 1.122254959639971
Energy: 1.1251665878039758
Energy: 1.12197600984986
Energy: 1.122769119207806
Energy: 1.1201654162584043
Energy: 1.2902962990703917
Energy: 1.2262099849944097
Energy: 1.123822248842517
Energy: 1.1775469293773908
Energy: 1.1228381750325742
Energy: 1.2270539427250944
Energy: 1.1777048157227636
Energy: 1.1779214851946234
Energy: 1.1252020308752384
Energy: 1.1204989745074991
Energy: 1.2254343019086036
Energy: 1.178346494846141
Energy: 1.1860272586786473
Energy: 1.1805524754362922
Energy: 1.1234082729148946
Energy: 1.1774167160630922
Energy: 1.1773847798268569
Energy: 1.180252295232946
Energy: 1.1818199340874223
Energy: 1.1801006464205166
Energy: 1.1786680267068026
Energy: 1.1252078446757028
Energy: 1.1804475413655675
Energy: 1.17929183932348
Energy: 1.1761013310764603
Energy: 1.1776989902197241
Energy: 1.1206862636856083
Energy: 1.1199922608361768
Energy: 1.1768998844464558
Energy: 1.1769765221942874
Energy: 1.4816410855765163
Energy: 1.1806408306068603
Energy: 1.177731598257854
Energy: 1.2987699144831635
Energy: 1.1804034405131596
Energy: 1.1804433584551797
Energy: 1.4639246624003561
Energy: 1.1798437727522777
Energy: 1.180443598824345
Energy: 1.216880128348388
Energy: 1.3363510129329752
Energy: 1.1798026403669428
Energy: 1.217113528843523
Energy: 1.1787407239587362
Energy: 1.1792244058138828
Energy: 1.1794164946572903
Energy: 1.1786495441660623
Energy: 1.1786659817933929
Energy: 1.228539693038959
Energy: 1.1802136111617985
Energy: 1.1798810669471078
Energy: 1.1798907030487755
Energy: 1.179263398066264
Energy: 1.178864687063684

minimum gb energy = 1.1194813634315661 eV
minimum distance =  2.21327855598018 Angstroms
sigma value = 81


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

Energy: 1.1293957659536207
Energy: 1.4579266180902957
Energy: 1.1360629735765857
Energy: 1.1374272858853318
Energy: 1.4592071790389012
Energy: 1.1297552712216796
Energy: 1.1359688578490754
Energy: 1.2622086979237541
Energy: 1.1364452845868618
Energy: 1.1361932002462019
Energy: 1.1355954777849846
Energy: 1.262615705081654
Energy: 1.264171689501302
Energy: 1.2626549107619192
Energy: 1.1366592296484446
Energy: 1.1361694334108452
Energy: 1.1368327757861834
Energy: 1.2627266334243472
Energy: 1.2626771390007276
Energy: 1.262548627519218
Energy: 1.1361971445917165
Energy: 1.1358825190395958
Energy: 1.2626389000071367
Energy: 1.2621308196345633
Energy: 1.2622910097551348
Energy: 1.262225507054992
Energy: 1.136725009828886
Energy: 1.129718588238763
Energy: 1.2645603100100666
Energy: 1.262812969331721
Energy: 1.135830348978057
Energy: 1.1360337276665378
Energy: 1.129707426942463
Energy: 1.1322634957480016
Energy: 1.2623671661994265
Energy: 1.1360288312311575
Energy: 1.1361672959556375
Energy: 1.1361858617167255
Energy: 1.262182943821976
Energy: 1.1361557910442142
Energy: 1.264583111102364
Energy: 1.1362091439091144
Energy: 1.1360648289721242
Energy: 1.136767932785987
Energy: 1.2623323699087508
Energy: 1.2621723902540507
Energy: 1.2625277338655185
Energy: 1.1365189667633095
Energy: 1.136553823745565
Energy: 1.1359909171687388
Energy: 1.2625708111332727
Energy: 1.2629085266591995
Energy: 1.2626202956734662
Energy: 1.1364157412574958
Energy: 1.129707955759024
Energy: 1.136473593911578
Energy: 1.2625831769650095
Energy: 1.262260668749015
Energy: 1.2636451290424267
Energy: 1.1359835841366175

minimum gb energy = 1.1293957659536207 eV
minimum distance =  2.24355723721255 Angstroms
sigma value = 3


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

Energy: 2.257778411351485
Energy: 1.11076725244354
Energy: 1.1081167590792333
Energy: 1.1149371028261468
Energy: 1.110493902718332
Energy: 1.118367227614256
Energy: 1.1092898703477658
Energy: 1.1092133420693255
Energy: 1.1092086966357502
Energy: 1.3356450256142312
Energy: 1.108610784383546
Energy: 1.3241611235070279
Energy: 1.3210393851126554
Energy: 1.2107527134018004
Energy: 1.1088472817158876
Energy: 1.3329186415151286
Energy: 1.1092312028200537
Energy: 1.3215689857590034
Energy: 1.3323370280117206
Energy: 1.1086634904094113
Energy: 1.1113457348157099
Energy: 1.32335955851312
Energy: 1.2112975550133878
Energy: 1.3476717010734771
Energy: 1.3314103222403078
Energy: 1.3236543038879514
Energy: 1.1089911787137672
Energy: 1.171900727256084
Energy: 1.110863369091183
Energy: 1.323244305536807
Energy: 1.1662099193510949
Energy: 1.1716368746684116
Energy: 1.216209786293807
Energy: 1.1071759841528774
Energy: 1.3227506132894722
Energy: 1.1658658321207522
Energy: 1.5305420245055639
Energy: 1.1109672618001643
Energy: 1.40694800362793
Energy: 1.1096155690979694
Energy: 1.324919779661156
Energy: 1.3312125216411548
Energy: 1.53280458866194
Energy: 1.109023164576079
Energy: 1.1093796301226009
Energy: 1.1079086630301653
Energy: 1.1093959583489872
Energy: 1.1109680346582254
Energy: 1.322495309784053
Energy: 1.108700080585441
Energy: 1.1076526339309047
Energy: 1.109500874349206
Energy: 1.1078684413149293
Energy: 1.393243294668052
Energy: 1.1609895668988632
Energy: 1.2219244230982016
Energy: 1.1088349449497503
Energy: 1.108104790020056
Energy: 1.11043504286415
Energy: 1.2157764756523541
Energy: 1.3319711843418602
Energy: 1.2160451272133934
Energy: 1.1079835226315986
Energy: 1.1081868166567732
Energy: 1.1085466568105498
Energy: 1.3276141835637032
Energy: 1.3356450732464609
Energy: 1.1090155145464895
Energy: 1.1087708779870085
Energy: 1.120450997165557
Energy: 1.1083854159915942
Energy: 1.1603707754240649
Energy: 1.108806939459952
Energy: 1.1089943357158325
Energy: 1.1091122864571576
Energy: 1.1203921124100003
Energy: 1.1098766250952343
Energy: 1.108999975164066
Energy: 1.1081130356872089
Energy: 1.1074270861589754
Energy: 1.1082423083053587
Energy: 1.1659104409865921
Energy: 1.1078572230252703
Energy: 1.1075546078433969
Energy: 1.1079818610479921
Energy: 1.1088302878730163
Energy: 1.1086105990047834
Energy: 1.335327926887031
Energy: 1.195552916361922
Energy: 1.1086261549770704
Energy: 1.1108175073748479
Energy: 1.1826766058770768
Energy: 1.1088884640701573
Energy: 1.3302139997803855
Energy: 1.1101233594675832
Energy: 1.108253395440153
Energy: 1.1188407212208733
Energy: 1.10866765162197
Energy: 1.322135129470485
Energy: 1.1515607398415075
Energy: 1.3229901493848648
Energy: 1.0939149437314926
Energy: 1.118957744044583
Energy: 1.1105307234571618
Energy: 1.319875175504315
Energy: 1.323724004327451
Energy: 1.1107008512810523
Energy: 1.0936395355158393
Energy: 1.3226390484802162
Energy: 1.2117266811720802
Energy: 1.3475463326133295
Energy: 1.3336071369518183
Energy: 1.1109696615509428
Energy: 1.32233928343706
Energy: 1.3319296675428682
Energy: 1.1092948659529251
Energy: 1.1089888632062253
Energy: 1.3311905044090737
Energy: 1.2180376652079075
Energy: 1.1086307429147577
Energy: 1.330654130818893
Energy: 1.3338107026238186
Energy: 1.211181263967936
Energy: 1.1078610931942743
Energy: 1.3243477525551857
Energy: 1.331522491175825
Energy: 1.1083162042351284
Energy: 1.323219727426616
Energy: 1.1058349570617927
Energy: 1.1060334993905652
Energy: 1.3233458511498313
Energy: 1.108784288074601
Energy: 1.330945586013711
Energy: 1.3221112311516483
Energy: 1.1939784055888583
Energy: 1.1589308732394124
Energy: 1.2017557680434534
Energy: 1.3219080588223355
Energy: 1.5307310186417353
Energy: 1.5418566411177357
Energy: 1.1098352025488307
Energy: 1.1092682412271384
Energy: 1.110153533877914
Energy: 1.5727209961103523
Energy: 1.331312506737881
Energy: 1.1949994516506248
Energy: 1.1086766821958112
Energy: 1.1084004502297689
Energy: 1.109180883912832
Energy: 1.3988883839714497
Energy: 1.1717401695301464
Energy: 1.1106668981635548
Energy: 1.1083930170762069
Energy: 1.108075326647052
Energy: 1.1088560856028808
Energy: 1.1094572089362458
Energy: 1.331835739168248
Energy: 1.217936118950053
Energy: 1.1091556771191524
Energy: 1.1089376083262437
Energy: 1.1087865309411578
Energy: 1.3308577649851487
Energy: 1.161888403341665
Energy: 1.109899108004339
Energy: 1.108705619370982
Energy: 1.1201933395337682
Energy: 1.222974510189751
Energy: 1.1091585164035296
Energy: 1.108750680937564
Energy: 1.109750361065729
Energy: 1.1202766362105054
Energy: 1.1242703200749657
Energy: 1.1091376141604374
Energy: 1.1095027490811373
Energy: 1.10822234977837
Energy: 1.1083439484153683
Energy: 1.1100203201160046
Energy: 1.1729678020792242
Energy: 1.1087545818661484
Energy: 1.108357750894944
Energy: 1.108211771486551
Energy: 1.1084344367314123
Energy: 1.1940736740975102
Energy: 1.3314346916794924
Energy: 1.1087452197559051
Energy: 1.1084336046763295
Energy: 1.1091082952610227
Energy: 1.1097298978732522
Energy: 1.3329544214630997
Energy: 1.3332449645191502
Energy: 1.194903127085891
Energy: 1.1097724963145075
Energy: 1.0972642769069667
Energy: 1.1946700944256399
Energy: 1.3216053634682228
Energy: 1.3310733133723023
Energy: 1.1088936077854588
Energy: 1.2066062435510319

minimum gb energy = 1.0936395355158393 eV
minimum distance =  2.24463937108546 Angstroms
sigma value = 67


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

Energy: 1.5773379007299362
Energy: 1.0552433340806744
Energy: 1.0552890267092851
Energy: 1.317039282720425
Energy: 1.0551308105605592
Energy: 1.0809835279012532
Energy: 1.327013625426233
Energy: 1.2568907464766668
Energy: 1.3781875489222342
Energy: 1.3555684851506675
Energy: 1.0552883335688645
Energy: 1.0543341747081456
Energy: 1.36007159062923
Energy: 1.1515374095406763
Energy: 1.0545216188050297
Energy: 1.3545868222384763
Energy: 1.0550307825219045
Energy: 1.082947350218132
Energy: 1.3505447994214588
Energy: 1.0861306463412195
Energy: 1.256522818925801
Energy: 1.3142408136513846
Energy: 1.1549261471698784
Energy: 1.392135366904295
Energy: 1.3551683854448007
Energy: 1.3491240687903285
Energy: 1.1470606441127362
Energy: 1.0540219446036971
Energy: 1.1476603699537595
Energy: 1.3498268037106016
Energy: 1.3232077504604474
Energy: 1.1177623342060077
Energy: 1.2067892438984646
Energy: 1.2082727280937169
Energy: 1.083562111896943
Energy: 1.1143122548814894
Energy: 1.542744461108056
Energy: 1.3499887733994884
Energy: 1.6511232646259788
Energy: 1.054950371027794
Energy: 1.5450028359625534
Energy: 1.349926760568655
Energy: 1.539524248507342
Energy: 1.084528761648661
Energy: 1.1972411670604473
Energy: 1.19626270954563
Energy: 1.195453217128121
Energy: 1.4684082284061135
Energy: 1.1122853898043084
Energy: 1.0524406271913758
Energy: 1.1970110854183351
Energy: 1.1977791514764833
Energy: 1.197119094599721
Energy: 1.2349780193767883
Energy: 1.133811497417563
Energy: 1.1277507367087756
Energy: 1.0529800894362835
Energy: 1.2028845647673703
Energy: 1.0538117948708356
Energy: 1.0520011926913644
Energy: 1.0924881902877235
Energy: 1.0523109918375733
Energy: 1.0539901988672358
Energy: 1.1953563881763845
Energy: 1.2567972453420342
Energy: 1.0521475085310537
Energy: 1.1133407349681257
Energy: 1.0524841238258507
Energy: 1.0527819639833904
Energy: 1.0531768831843444
Energy: 1.1248838596466704
Energy: 1.0918423023535926
Energy: 1.0869937192462042
Energy: 1.0514577831759755
Energy: 1.0544241141708657
Energy: 1.052436316032312
Energy: 1.0566357068680683
Energy: 1.0561250455216564
Energy: 1.085080494677242
Energy: 1.052652786618898
Energy: 1.120815405260034
Energy: 1.4329943848961681
Energy: 1.05203342797096
Energy: 1.052180507637713
Energy: 1.0822134058502353
Energy: 1.0534903383325371
Energy: 1.053340206311066
Energy: 1.4684131100663493
Energy: 1.1261439555661568
Energy: 1.0529626658064326
Energy: 1.0841349802305191
Energy: 1.1169924006056464
Energy: 1.4617546557526733
Energy: 1.4675224016571131
Energy: 1.462767454898704
Energy: 1.2029348278108098
Energy: 1.081994103179144
Energy: 1.0835457106568671
Energy: 1.200514019193692
Energy: 1.1958801814518616
Energy: 1.4583733962159129
Energy: 1.2062138363167523
Energy: 1.0831101405605856
Energy: 1.0840065470113744
Energy: 1.5772344234765863
Energy: 1.3345000360744055
Energy: 1.4590286010614881
Energy: 1.0836845697948416
Energy: 1.0831820276131041
Energy: 1.0854576324311054
Energy: 1.5234236955381404
Energy: 1.4709626362764483
Energy: 1.4349793187758113
Energy: 1.0844852052869134
Energy: 1.090808070376989
Energy: 1.0834432748447136
Energy: 1.0833214442801204
Energy: 1.3412753316157255
Energy: 1.083452659657062
Energy: 1.0834216790657696
Energy: 1.0852844124535714
Energy: 1.083309833876491
Energy: 1.0901638331453545
Energy: 1.5384843360454845
Energy: 1.0830498218602795
Energy: 1.0834624219962965
Energy: 1.0836167981085187
Energy: 1.084308909965319
Energy: 1.0561363859686932
Energy: 1.3486992778258011
Energy: 1.126870126969355
Energy: 1.0838070283262915
Energy: 1.205822127222031
Energy: 1.0909026314549175
Energy: 1.3777254168919297
Energy: 1.3146749414542573
Energy: 1.0552577167606179
Energy: 1.1109007909684256

minimum gb energy = 1.0514577831759755 eV
minimum distance =  2.24084619413558 Angstroms
sigma value = 33


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

Energy: 2.3777446846684986
Energy: 1.4098070979122743
Energy: 1.4099826254507783
Energy: 1.409127607366672
Energy: 1.4100134382258858
Energy: 0.9998076176849671
Energy: 1.155652473225778
Energy: 1.2259804217326629
Energy: 1.4136615543805202
Energy: 1.4150723023042935
Energy: 1.0674484972430869
Energy: 1.065383598264372
Energy: 1.1553283107013668
Energy: 0.9943873826496307
Energy: 1.1660482449413125
Energy: 1.3109909299120364
Energy: 1.0700210006404367
Energy: 1.155745034774743
Energy: 1.1593235990813975
Energy: 1.1718833467256395
Energy: 1.2255161092484577
Energy: 1.414680947138222
Energy: 0.9935145605724901
Energy: 1.1715874990314066
Energy: 1.158340410810016
Energy: 1.155395646893421
Energy: 0.99318597459727
Energy: 1.1572170477252983
Energy: 1.1767388328190815
Energy: 1.1552181214297048
Energy: 0.9976921822145524
Energy: 0.9927154655672389
Energy: 1.3881054696101096
Energy: 1.4098267665836717
Energy: 1.1562671186049311
Energy: 0.996504363730169
Energy: 0.9964304819824465
Energy: 1.1557832456556154
Energy: 1.1539821027834694
Energy: 1.0005732116775017
Energy: 0.9949955149647891
Energy: 1.3114253017021054
Energy: 0.9914845929667677
Energy: 1.0637991643246634
Energy: 1.1547881319334812
Energy: 1.1542131967921418
Energy: 1.1545682015690928
Energy: 1.3115532828260756
Energy: 1.413386016015555
Energy: 0.9932288352268043
Energy: 0.9962376412300943
Energy: 1.1562532429594712
Energy: 0.9974185959431034
Energy: 1.314455509207578
Energy: 1.414919198711969
Energy: 1.070157692831112
Energy: 0.9947931729139905
Energy: 1.1566271930431786
Energy: 0.9956879277342212
Energy: 1.0679444351040384
Energy: 1.4154068836097529
Energy: 0.9951978149353593
Energy: 0.9943679390456963
Energy: 1.1576008661278123
Energy: 1.0710783816579716
Energy: 1.3613388836685614
Energy: 1.4123145046221859
Energy: 1.4121288787678687
Energy: 0.9944249433991406
Energy: 1.1551494300564182
Energy: 0.9943844152712663
Energy: 1.4118987065504038
Energy: 1.2438001652365531
Energy: 1.4116734901330148
Energy: 0.9944164844247795
Energy: 1.1552963702810437
Energy: 0.995029640587992
Energy: 1.2462910733067023
Energy: 1.4988902274007607
Energy: 1.3736692480846446
Energy: 0.9946864218324952
Energy: 0.9978415846064321
Energy: 0.9943311351884828
Energy: 1.4956655181096006
Energy: 1.4990073091550804
Energy: 0.9956106649436736
Energy: 0.9956538282512566
Energy: 0.9999444296877517
Energy: 0.9954342532604723
Energy: 1.0675431689652657
Energy: 1.4969427730794815
Energy: 0.992879713797722
Energy: 0.9929042324792181
Energy: 0.9939498443207664
Energy: 0.9924263986081798
Energy: 1.3809805245805433
Energy: 1.4114434464392747
Energy: 0.9945666907110242
Energy: 0.9945949665541419
Energy: 0.9964934763988577
Energy: 0.994866681975669
Energy: 1.165736707981852
Energy: 0.9987971897991534
Energy: 1.2227826661682382
Energy: 0.9942318229469684
Energy: 0.9989310161378309
Energy: 0.9963402429892497
Energy: 1.4129666543938868
Energy: 1.2017672929204986
Energy: 1.2348938170178951
Energy: 1.3225258516893508
Energy: 1.309078161875434
Energy: 1.4102292180644014
Energy: 1.2336604862614902
Energy: 1.414594388499432
Energy: 1.222948502360552
Energy: 1.2284065659862304
Energy: 1.1538446611653703
Energy: 1.2270628376308401
Energy: 1.4128632733275075
Energy: 1.310925062179525
Energy: 0.9957995908277666
Energy: 1.1758790386448525
Energy: 1.1553835256356435
Energy: 1.069987779641808
Energy: 1.166366523735901
Energy: 1.4132842905785714
Energy: 1.0616596579432622
Energy: 1.1594437619613251
Energy: 1.159674257232088
Energy: 0.996009029897861
Energy: 1.155077855942422
Energy: 1.1567489322524327
Energy: 0.9960249222574902
Energy: 1.1554027516444108
Energy: 1.1575265208961079
Energy: 0.9957200303468987
Energy: 1.1566782470849393
Energy: 1.4951331969890524
Energy: 1.1691212462784801
Energy: 1.1566612253521282
Energy: 1.1538387764187197
Energy: 1.1560560769574932
Energy: 1.2635080403929053
Energy: 1.0040982126406073
Energy: 1.154972796983338
Energy: 1.1553101381683504
Energy: 0.9999276837893857
Energy: 1.176587299724039
Energy: 1.1737651287529591
Energy: 1.15812961514261
Energy: 1.1564182530865188
Energy: 0.9952664279314912
Energy: 1.5012092873647382
Energy: 1.000784829395352
Energy: 1.1543792059753408
Energy: 1.1544664348981462
Energy: 0.9946855802292561
Energy: 0.993132281806801
Energy: 1.4103613900495933
Energy: 0.9946146257897595
Energy: 1.156344061396061
Energy: 1.1552773166294075
Energy: 0.9944681567164512
Energy: 1.2245706240580407
Energy: 1.4149434880510112
Energy: 1.0712877662329716
Energy: 0.9933668803118207
Energy: 1.153546404142233
Energy: 1.0607433030028848
Energy: 1.5476279193905125
Energy: 1.413787914483097
Energy: 1.5445410426943855
Energy: 1.155935486634228
Energy: 1.1540418607470726
Energy: 0.9942124882368588
Energy: 1.4129298283142635
Energy: 1.4137124650543895
Energy: 1.4461025377774452
Energy: 1.1746176591271549
Energy: 1.155313769379674
Energy: 0.9943171101205611
Energy: 1.4113434515419137
Energy: 1.2442971829422176
Energy: 1.412288146671152
Energy: 1.1523417927547186
Energy: 0.9978136946346796
Energy: 0.9954825151939756
Energy: 0.995355656369933
Energy: 1.4985006744937464
Energy: 0.9957824877381545
Energy: 0.9952851228933741
Energy: 0.9958749475913458
Energy: 0.9959915324691192
Energy: 1.0690579650262313
Energy: 1.4996390617218307
Energy: 0.9940521136302369
Energy: 0.9964432562980086
Energy: 0.9923689137316128
Energy: 0.9923399263905807
Energy: 0.9930656734114952
Energy: 1.4949562993210124
Energy: 0.9925412351228681
Energy: 0.9927214545772416
Energy: 0.9945958216379218
Energy: 0.9945610479515729
Energy: 1.0686244009443935
Energy: 1.2461048831254078
Energy: 0.9943997716833205
Energy: 0.9920547105872659
Energy: 0.9975315418502317
Energy: 0.9945708681194729
Energy: 1.361820813359407
Energy: 1.2569091205264473
Energy: 1.068597230068279
Energy: 0.9967496465768307
Energy: 0.9912912049944396
Energy: 0.9932962595717626
Energy: 1.2436280965382702
Energy: 1.2572835894489074
Energy: 1.4106668212895992
Energy: 1.3105155338914343

minimum gb energy = 0.9912912049944396 eV
minimum distance =  2.17978355863274 Angstroms
sigma value = 41


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

Energy: 1.8005329563132575
Energy: 1.1421358258153618
Energy: 1.140097704969864
Energy: 1.1432717678663522
Energy: 1.1399347047084212
Energy: 1.7604150024425704
Energy: 1.150528402455152
Energy: 0.8696284778244131
Energy: 0.8666854041977224
Energy: 1.1461930842383379
Energy: 0.8693013218574486
Energy: 1.1482692153867464
Energy: 1.1606974926368334
Energy: 0.8705030315531413
Energy: 0.8665144036071257
Energy: 0.8096076755141621
Energy: 0.8702951981574669
Energy: 1.148319989983845
Energy: 1.1467152405576682
Energy: 0.8686567756173552
Energy: 0.8712999753562104
Energy: 1.159233762612924
Energy: 0.8699667529650772
Energy: 1.296939085147428
Energy: 1.1607678936399
Energy: 1.1490648645550168
Energy: 0.8700668765519766
Energy: 1.1542776814949487
Energy: 0.8687446747844889
Energy: 1.1486820317854558
Energy: 1.1438827414745796
Energy: 1.1401630438475532
Energy: 1.1411439418420155
Energy: 1.1345200940642193
Energy: 1.1436527926500792
Energy: 1.1416357209859114
Energy: 1.4643329342906837
Energy: 1.1539622443964288
Energy: 0.8664929041327148
Energy: 1.1495281970977647
Energy: 0.867640343491216
Energy: 1.466173380898743
Energy: 1.4653150617784432
Energy: 0.8702975678443694
Energy: 1.143016371606459
Energy: 1.1508216494302523
Energy: 0.8695491875679582
Energy: 1.466018152328955
Energy: 1.1505755618311233
Energy: 0.8703168123931783
Energy: 0.8666573180790076
Energy: 0.8096627697245765
Energy: 0.869821078388316
Energy: 1.143286323783786
Energy: 1.144582038013324
Energy: 0.8703849851263463
Energy: 0.8664332612468606
Energy: 1.1453253452889174
Energy: 0.8698393041881657
Energy: 1.152786270577172
Energy: 1.146641512749278
Energy: 0.8647746120993346
Energy: 0.871187425174343
Energy: 1.1485324303406457
Energy: 0.8704756269466506
Energy: 1.153855474269137
Energy: 1.147535642913069
Energy: 1.1449266023233347
Energy: 0.8706682589239451
Energy: 1.1336749248983957
Energy: 0.8685435622306293
Energy: 1.1450856073039433
Energy: 1.1520348809048935
Energy: 1.1453818603763317
Energy: 0.8703668222416183
Energy: 1.1455504013412208
Energy: 0.8685367060496474
Energy: 1.1436305538865152
Energy: 1.465252270535212
Energy: 1.299608205519865
Energy: 1.1410350592467757
Energy: 1.1490405440831082
Energy: 0.870845823583715
Energy: 1.466474802067781

minimum gb energy = 0.8096076755141621 eV
minimum distance =  2.295034704233 Angstroms
sigma value = 11


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

Energy: 2.1245957675744744
Energy: 1.103051159226755
Energy: 1.10865422289663
Energy: 1.2622348716237561
Energy: 1.2597018614028523
Energy: 1.1104156211464715
Energy: 1.107962424971154
Energy: 1.10880704990187
Energy: 1.1023045644897171
Energy: 1.1041269502513213
Energy: 1.1762073790200218
Energy: 1.1230494129115394
Energy: 1.1084529629850388
Energy: 1.1078221815716827
Energy: 1.1756757914544502
Energy: 1.0998028811259568
Energy: 1.1762911101904934
Energy: 1.1076656690192428
Energy: 1.1096361850653922
Energy: 1.10959650180335
Energy: 1.1777663259192075
Energy: 1.1046273815630272
Energy: 1.110354093855291
Energy: 1.108826158372693
Energy: 1.1090609557185682
Energy: 1.1086609377342953
Energy: 1.176839373575557
Energy: 1.1045832076810316
Energy: 1.1093856763395087
Energy: 1.1083995005513554
Energy: 1.1095329398104385
Energy: 1.1084675830958766
Energy: 1.1753533292515783
Energy: 1.1037097918590446
Energy: 1.1759264166246388
Energy: 1.1089355385315578
Energy: 1.1052233638586235
Energy: 1.1094498610279329
Energy: 1.100964654670544
Energy: 1.1020272218101725
Energy: 1.1008633464467878
Energy: 1.171983850450366
Energy: 1.1055966458207904
Energy: 1.1089319783566718
Energy: 1.1087535815001373
Energy: 1.1087954103738655
Energy: 1.1085918218933677
Energy: 1.0975790666501797
Energy: 1.1097161262682136
Energy: 1.1080545917653943
Energy: 1.1769001945792663
Energy: 1.0985624585529552
Energy: 1.1090410604448846
Energy: 1.1079038178800962
Energy: 1.108421338753203
Energy: 1.1090532981192505
Energy: 1.176472554960154
Energy: 1.0988335604719952
Energy: 1.109167284800192
Energy: 1.1087991134206818
Energy: 1.1105090297265117
Energy: 1.1092597009842469
Energy: 1.1902212206698013
Energy: 1.1102181736084709
Energy: 1.1870590357536859
Energy: 1.1108654804451215
Energy: 1.1091920381884903
Energy: 1.1750331913396732
Energy: 1.1094094515670097
Energy: 1.1114669965326387
Energy: 1.174841793730295
Energy: 1.1092102559411618
Energy: 1.1120795520863465
Energy: 1.109636154852975
Energy: 1.108079050421702
Energy: 1.1105038037783062
Energy: 1.109247933742693
Energy: 1.1097815272028737
Energy: 1.1003553630765706
Energy: 1.1088756616988704
Energy: 1.1085971625357318
Energy: 1.108265711602894
Energy: 1.1088490880164101
Energy: 1.1754384101605746
Energy: 1.1121166746888882
Energy: 1.1771747242928798
Energy: 1.1088900717847814
Energy: 1.109562668501096
Energy: 1.1084643355774353
Energy: 1.101079206796464
Energy: 1.1083857683547558
Energy: 1.10869193599569
Energy: 1.1896568993162782
Energy: 1.0965513994640728
Energy: 1.1092895687464195
Energy: 1.1118162820054307
Energy: 1.1033031346766635
Energy: 1.1749300375716454
Energy: 1.108769945121264
Energy: 1.0977430480655144
Energy: 1.1088828324389508
Energy: 1.1008412594369754
Energy: 1.100076697521589
Energy: 1.3428845845009771
Energy: 1.1071527339038314
Energy: 1.1075664020504126
Energy: 1.109029202844047
Energy: 1.0992395676021018
Energy: 1.1036275784226381
Energy: 1.109367227586024
Energy: 1.1096567331158862
Energy: 1.1264995466787822
Energy: 1.1096294675180165
Energy: 1.1005203504568961
Energy: 1.1038582706378763
Energy: 1.109304143030185
Energy: 1.108747818487054
Energy: 1.1096242662630393
Energy: 1.1095698158372431
Energy: 1.1004936424241771
Energy: 1.1033003617803148
Energy: 1.1857865546853734
Energy: 1.110175536413835
Energy: 1.106877551990658
Energy: 1.109516308404029
Energy: 1.174387403057216
Energy: 1.1022924394213374
Energy: 1.1009371011556355
Energy: 1.1096133028529482
Energy: 1.105366264186739
Energy: 1.1761428871426407
Energy: 1.1012008229257046
Energy: 1.1080992097827513
Energy: 1.1086125683079069
Energy: 1.1056185485295935
Energy: 1.0986045325935547
Energy: 1.1004120278776128
Energy: 1.1129700693725697
Energy: 1.099092131761641
Energy: 1.175031998051282
Energy: 1.1075827652771928
Energy: 1.110763280137292
Energy: 1.108596650452214
Energy: 1.0983256381333246
Energy: 1.0985382921063886
Energy: 1.1090773326574435
Energy: 1.1089250080909843
Energy: 1.1104534643985717
Energy: 1.1089040453953378
Energy: 1.170657908578904
Energy: 1.1108697066692503
Energy: 1.186450706238473
Energy: 1.110484505769894
Energy: 1.1102772793951177
Energy: 1.110114442966416
Energy: 1.108730627128102
Energy: 1.1113092064576064
Energy: 1.1092637427623866
Energy: 1.1090252803381488
Energy: 1.1090187141502303
Energy: 1.1782024489230722
Energy: 1.111550801023628
Energy: 1.1117197148812437
Energy: 1.1100609373969337
Energy: 1.186413726953971
Energy: 1.1120346565032095
Energy: 1.109305956333001
Energy: 1.1134733900867932
Energy: 1.1111973272767024
Energy: 1.108997558994876
Energy: 1.1755639039060932
Energy: 1.1008987495433444
Energy: 1.1088463813226912
Energy: 1.108661203328887
Energy: 1.1106193665355393
Energy: 1.108609421584971
Energy: 1.1768458916053735
Energy: 1.1118811552133385
Energy: 1.1756173681536566
Energy: 1.107671829943497
Energy: 1.0964518795174003
Energy: 1.1091429519743192
Energy: 1.1084156914399985
Energy: 1.1086698605276084
Energy: 1.1088369985854332
Energy: 1.1008355614180738

minimum gb energy = 1.0964518795174003 eV
minimum distance =  2.22498559576586 Angstroms
sigma value = 57


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

Energy: 2.25893834073244
Energy: 1.184384747159825
Energy: 1.1830588274486915
Energy: 1.1829063812768617
Energy: 1.1828020088027857
Energy: 1.2199476553191353
Energy: 1.1830986714890313
Energy: 1.236257990390524
Energy: 1.2355672342844435
Energy: 1.1823705445751977
Energy: 1.2381555638355148
Energy: 1.1831530952489278
Energy: 1.1820760384100797
Energy: 1.182933409647513
Energy: 1.2360408736726343
Energy: 1.1670399331565355
Energy: 1.2385962319647958
Energy: 1.182741777288711
Energy: 1.1827206970128805
Energy: 1.1831432352097198
Energy: 1.2360329194636732
Energy: 1.1822712451788482
Energy: 1.1842291519831778
Energy: 1.1829410039147767
Energy: 1.1837513122203445
Energy: 1.1829166130136195
Energy: 1.2358028379559693
Energy: 1.1817235564709778
Energy: 1.2365477073491689
Energy: 1.1832618527729926
Energy: 1.181841143102789
Energy: 1.2382326907850028
Energy: 1.2359175677029162
Energy: 1.1823301096519792
Energy: 1.2356868947026276
Energy: 1.1833299509343387
Energy: 1.1790275246855175
Energy: 1.2366468155060852
Energy: 1.182543710213313
Energy: 1.1824871300112116
Energy: 1.1826477643193436
Energy: 1.2355335118418536
Energy: 1.1795018514917406
Energy: 1.2357582313912097
Energy: 1.1833679034789764
Energy: 1.1820872628310473
Energy: 1.1826909117388715
Energy: 1.2358412198287076
Energy: 1.18172510886603
Energy: 1.1840023040278695
Energy: 1.1681347293185673
Energy: 1.166730387056098
Energy: 1.2359026498408399
Energy: 1.1832427984596912
Energy: 1.1821546643708942
Energy: 1.1824970358609193
Energy: 1.1677946137231148
Energy: 1.1667045505471076
Energy: 1.2359147962202122
Energy: 1.1827307689566757
Energy: 1.1667506106758416
Energy: 1.2358012955369042
Energy: 1.18254523219237
Energy: 1.1819307004886241
Energy: 1.4047064049315088
Energy: 1.2361762315064175
Energy: 1.1665776833268766
Energy: 1.2363342750085675
Energy: 1.1829205676902708
Energy: 1.1841499418613795
Energy: 1.182779821469221
Energy: 1.235749206072478
Energy: 1.1839451920607469
Energy: 1.1828600386261416
Energy: 1.1829935940970737
Energy: 1.182688596899009
Energy: 1.183574486216263
Energy: 1.182218215505097
Energy: 1.182291564840667
Energy: 1.2369271955195038
Energy: 1.1827274138898465
Energy: 1.1823259712532168
Energy: 1.1820460914284552
Energy: 1.2363663740377413
Energy: 1.1824955529196461
Energy: 1.2356649668542992
Energy: 1.2361840114022242
Energy: 1.1821725530969343
Energy: 1.2360400693172577
Energy: 1.183305311718755
Energy: 1.2531447436735568
Energy: 1.1826301867859117
Energy: 1.2341810153656274
Energy: 1.1796545958397349
Energy: 1.1824953781035856
Energy: 1.1831329177437522
Energy: 1.1664911925414423
Energy: 1.18221282638649
Energy: 1.2357591412962337
Energy: 1.181923326458503
Energy: 1.2378028273629973
Energy: 1.1834565528974224

minimum gb energy = 1.1664911925414423 eV
minimum distance =  2.2360110400327 Angstroms
sigma value = 9


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

Energy: 2.747033222347754
Energy: 1.3357933493217424
Energy: 1.334888149285907
Energy: 1.3358504316837703
Energy: 1.3353050213936437
Energy: 1.288697334920278
Energy: 1.3369167683066703
Energy: 1.468933867737007
Energy: 1.353550092595005
Energy: 1.3519723748327843
Energy: 1.4631783974280606
Energy: 1.3438922824135198
Energy: 1.3092816588458727
Energy: 1.3087400425124869
Energy: 1.4328945883590782
Energy: 1.2820705057849489
Energy: 1.4589033599762748
Energy: 1.3087273195969975
Energy: 1.314986020655043
Energy: 1.3084366031295644
Energy: 1.3442263330235122
Energy: 1.299606784629195
Energy: 1.3088169012790538
Energy: 1.308373619317008
Energy: 1.3081038211666645
Energy: 1.4554064396700772
Energy: 1.3429337964468337
Energy: 1.29024257156161
Energy: 1.3423233516342234
Energy: 1.30949773752114
Energy: 1.3132466615629397
Energy: 1.3434940440141196
Energy: 1.2722925565625995
Energy: 1.271919830819524
Energy: 1.4240357856270769
Energy: 1.311452646531036
Energy: 1.3505772405712149
Energy: 1.3438693569526527
Energy: 1.344662144260394
Energy: 1.3113804144421504
Energy: 1.3445492945152777
Energy: 1.2926927854439314
Energy: 1.3508579676408683
Energy: 1.3158143865105971
Energy: 1.2745002644021588
Energy: 1.271454776020186
Energy: 1.232227370951544
Energy: 1.3102213429787124
Energy: 1.326637838085051
Energy: 1.2905205277939535
Energy: 1.2330519393883008
Energy: 1.3301910220622581
Energy: 1.4064757130798198
Energy: 1.3277278090148588
Energy: 1.3265622365352472
Energy: 1.2598932868981387
Energy: 1.232347239626407
Energy: 1.3304940813462087
Energy: 1.5110324516341032
Energy: 1.2979884252913432
Energy: 1.2585589827039796
Energy: 1.262153916594573
Energy: 1.2742999265841464
Energy: 1.271579060875375
Energy: 1.2511784295403514
Energy: 1.2625971048811704
Energy: 1.3345040688314567
Energy: 1.261595023605723
Energy: 1.2469926189087734
Energy: 1.2920845012564017
Energy: 1.2616205344759466
Energy: 1.2741022409633078
Energy: 1.2892627206984157
Energy: 1.2588496057442036
Energy: 1.5190033939816356
Energy: 1.2825268112846577
Energy: 1.5135175802537404
Energy: 1.28962871413652
Energy: 1.2895497750200908
Energy: 1.290718307080874
Energy: 1.324770945113818
Energy: 1.2944142862236594
Energy: 1.273849313857244
Energy: 1.290562552409761
Energy: 1.3154276511027037
Energy: 1.2598773962014713
Energy: 1.3417131434162661
Energy: 1.285224488553714
Energy: 1.3415399670019552
Energy: 1.2588106839065458
Energy: 1.3183356576940222
Energy: 1.3724737879205677
Energy: 1.4678926709592994
Energy: 1.468155792226569
Energy: 1.4700450223636874
Energy: 1.3160443436704297
Energy: 1.312307050367807
Energy: 1.4450208114641492
Energy: 1.2857283102494101
Energy: 1.284640171437829
Energy: 1.2862160183062228
Energy: 1.306657685078432
Energy: 1.3536826943381777
Energy: 1.4464898028398663
Energy: 1.2682815714966478
Energy: 1.2680717236684724
Energy: 1.2700487998937713
Energy: 1.4463996171142646
Energy: 1.348515299670296
Energy: 1.3081464882258396
Energy: 1.4625022677524486
Energy: 1.3330189186860564
Energy: 1.3511050630873263
Energy: 1.3085567257190676
Energy: 1.3485786300584721
Energy: 1.349980889985999
Energy: 1.3139238791677512
Energy: 1.3300186509928007
Energy: 1.3091239994542976
Energy: 1.3493648986758766
Energy: 1.3226812397583692
Energy: 1.4656984408669058
Energy: 1.3351791722704807
Energy: 1.3343227371169224
Energy: 1.3446459307639522
Energy: 1.3122667448459098

minimum gb energy = 1.232227370951544 eV
minimum distance =  2.23204160027256 Angstroms
sigma value = 27


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

Energy: 1.3096942701635683
Energy: 1.2823455717755219
Energy: 1.2815551359429413
Energy: 1.2830955940644462
Energy: 1.2818747647439626
Energy: 1.246417696289872
Energy: 1.236150982788534
Energy: 1.239551439840023
Energy: 1.2749678992032603
Energy: 1.2922838026779497
Energy: 1.2390755836042553
Energy: 1.2485006400572487
Energy: 1.2358755564887631
Energy: 1.2359568748894005
Energy: 1.579640375591318
Energy: 1.5799775946541665
Energy: 1.2362251860966256
Energy: 1.2368577311633662
Energy: 1.2364859192133884
Energy: 1.2368405404081715
Energy: 1.3054069374567556
Energy: 1.2593658585501912
Energy: 1.3415258050477854
Energy: 1.2367113655508206
Energy: 1.2345472613511939
Energy: 1.3403651795715241
Energy: 1.248030631178223
Energy: 1.259511032033604
Energy: 1.3247534380338783
Energy: 1.485011543077323
Energy: 1.240556907867251
Energy: 1.2385660243342116
Energy: 1.2485564961397337
Energy: 1.2602174750125166
Energy: 1.3238616646010508
Energy: 1.2392447854013717
Energy: 1.2365271780695968
Energy: 1.3407916646652145
Energy: 1.3251259527666899
Energy: 1.2612168421491432
Energy: 1.3260321470867424
Energy: 1.2400350351491427
Energy: 1.2364825498241279
Energy: 1.4870342619248633
Energy: 1.2482665211638584
Energy: 1.2593396046004073
Energy: 1.3412483147497531
Energy: 1.2383300014153429
Energy: 1.236155130567324
Energy: 1.2368965497525013
Energy: 1.236046606652069
Energy: 1.290713298262516
Energy: 1.2387248479707549
Energy: 1.237157469612398
Energy: 1.2351681815451692
Energy: 1.3036581362706297
Energy: 1.2362824608228704
Energy: 1.2906197123974033
Energy: 1.2369801949265171
Energy: 1.308121820952836
Energy: 1.2880995346500497
Energy: 1.4292347972136181
Energy: 1.2820768183809104
Energy: 1.2831920784890354
Energy: 1.2485421078730405
Energy: 1.2342672619113164
Energy: 1.2880585966307183
Energy: 1.2391247502773308
Energy: 1.2824427319162615
Energy: 1.281197155734715
Energy: 1.2491892571021126
Energy: 1.2758006268650743
Energy: 1.2810125969932895
Energy: 1.2388459000940728
Energy: 1.2348908635067988
Energy: 1.2337490440462833
Energy: 1.2488897116072306
Energy: 1.28326624536355
Energy: 1.2809503331674412
Energy: 1.2490062433590907
Energy: 1.2358231223521354
Energy: 1.3199406194261696
Energy: 1.258266363276955
Energy: 1.248645831399984
Energy: 1.2342531828144958
Energy: 1.4291480640743237
Energy: 1.2367251780566502
Energy: 1.2367361989011092
Energy: 1.235334134715371
Energy: 1.5797907515780765
Energy: 1.2341251955097439
Energy: 1.2401650488252776
Energy: 1.2400710718238226
Energy: 1.2399504118559808
Energy: 1.2392174451720048
Energy: 1.2481397303917372
Energy: 1.2595957583383222
Energy: 1.2477899942918174
Energy: 1.4845719112400533
Energy: 1.235788896678661
Energy: 1.340529202974083
Energy: 1.2483641856428302
Energy: 1.2605432460772457
Energy: 1.3262379774085507
Energy: 1.238948761754448
Energy: 1.2583018656136953
Energy: 1.3252152614194925
Energy: 1.3234129290760028
Energy: 1.2598786536778626
Energy: 1.326147264687662
Energy: 1.2391523856874143
Energy: 1.2383351318128626
Energy: 1.324209500959063
Energy: 1.3237199178809633
Energy: 1.2594256362497531
Energy: 1.2473085902088084
Energy: 1.4854677716819509
Energy: 1.2370003758182122
Energy: 1.4849360176545756
Energy: 1.2479766194373967
Energy: 1.2910775438190238
Energy: 1.4381842308351547
Energy: 1.2398150396705865
Energy: 1.2403458950686668
Energy: 1.2393754244619684
Energy: 1.2611177107692284
Energy: 1.2341417340100538
Energy: 1.4286756052627352
Energy: 1.237759703484716
Energy: 1.236692268719432
Energy: 1.235830248839658
Energy: 1.4291375046328036
Energy: 1.2812410745666807
Energy: 1.2479350560369982
Energy: 1.2364395780347543
Energy: 1.2884944649732004
Energy: 1.2387533576196728
Energy: 1.282604965756456
Energy: 1.2812233887349327
Energy: 1.2836915058784
Energy: 1.4266544601883715
Energy: 1.288357252441282
Energy: 1.2481393018479492
Energy: 1.2831416105151012
Energy: 1.3197546299028622
Energy: 1.3018556923801017
Energy: 1.2479871377975644
Energy: 1.28117136274903
Energy: 1.2493904348691647
Energy: 1.2359411981132538

minimum gb energy = 1.2337490440462833 eV
minimum distance =  2.26146317748803 Angstroms
sigma value = 19


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

Energy: 1.328083141258822
Energy: 1.2610323801163132
Energy: 1.256204220561351
Energy: 1.256735276162584
Energy: 1.256262982328082
Energy: 1.2251201755648509
Energy: 1.2146597751953452
Energy: 1.209975702171934
Energy: 1.2376501778910316
Energy: 1.255989330023848
Energy: 1.2098407344641038
Energy: 1.217976133345563
Energy: 1.2064031015575636
Energy: 1.2098315421826853
Energy: 1.2750931061144863
Energy: 1.193208698598948
Energy: 1.2066698269911826
Energy: 1.206564130123674
Energy: 1.2097720610371707
Energy: 1.2099213287265536
Energy: 1.286800447105203
Energy: 1.217800451250914
Energy: 1.2187715660312803
Energy: 1.2100990380410028
Energy: 1.1931214018362626
Energy: 1.3276100141174285
Energy: 1.2096620904886253
Energy: 1.219874372925879
Energy: 1.2787255839312806
Energy: 1.3270993497177703
Energy: 1.208944718892036
Energy: 1.2096554576938918
Energy: 1.2183366653404515
Energy: 1.2194968165351285
Energy: 1.279003173791068
Energy: 1.2102617183553512
Energy: 1.218814298868051
Energy: 1.3608829380318082
Energy: 1.3762576756579032
Energy: 1.3359607126323876
Energy: 1.3809786324756297
Energy: 1.335661784962028
Energy: 1.219328289207204
Energy: 1.3357191662677703
Energy: 1.2096244022536096
Energy: 1.2106093777797573
Energy: 1.2187899934238577
Energy: 1.2187121297825256
Energy: 1.2156302846816804
Energy: 1.2785330123946332
Energy: 1.2800154650265902
Energy: 1.2065407538093431
Energy: 1.2783558458255582
Energy: 1.2798028433933646
Energy: 1.217483725518449
Energy: 1.2186740633343074
Energy: 1.2064655429318552
Energy: 1.206683567208127
Energy: 1.2791380251518971
Energy: 1.2186361117988218
Energy: 1.2037932843946326
Energy: 1.2108707457560712
Energy: 1.2101171476463806
Energy: 1.2094391020093553
Energy: 1.2075268981746312
Energy: 1.2097324028263758
Energy: 1.265841537758103
Energy: 1.210163397121726
Energy: 1.2860057466288073
Energy: 1.2147139994923193
Energy: 1.2096010616395236
Energy: 1.2671999038113015
Energy: 1.2565616472212533
Energy: 1.256261992454886
Energy: 1.2072664486174316
Energy: 1.2067154490029635
Energy: 1.217736091526739
Energy: 1.256248844560796
Energy: 1.2609799139545534
Energy: 1.218110386682472
Energy: 1.2370190713315572
Energy: 1.2630809024790768
Energy: 1.2099343058884786
Energy: 1.255911274994119
Energy: 1.2152824988922828
Energy: 1.2177659803559637
Energy: 1.2564078590452283
Energy: 1.255921135965697
Energy: 1.21442874502629
Energy: 1.2161634261610232
Energy: 1.2873953248605559
Energy: 1.3019360445065618
Energy: 1.2180881576733178
Energy: 1.2558422524822481
Energy: 1.2178158894104603
Energy: 1.244456787892512
Energy: 1.2063291910205873
Energy: 1.2145057312701275
Energy: 1.1954599108086446
Energy: 1.2164290208790811
Energy: 1.2074835461665945
Energy: 1.2067462543393734
Energy: 1.2090443874445156
Energy: 1.209856928773729
Energy: 1.2092986899418146
Energy: 1.2207143931848923
Energy: 1.2189140123621796
Energy: 1.2100193173066793
Energy: 1.1937462135191337
Energy: 1.496321014101696
Energy: 1.2183061019784533
Energy: 1.2191992675116874
Energy: 1.278037208679407
Energy: 1.495846547993932
Energy: 1.2090166427073947
Energy: 1.2188025954061978
Energy: 1.2788058523319272
Energy: 1.210455740127821
Energy: 1.2794355043038887
Energy: 1.2094459143373155
Energy: 1.2186620965270283
Energy: 1.3261025350251157
Energy: 1.3762918583977308
Energy: 1.2184881301587032
Energy: 1.3762007700321734
Energy: 1.2194922892646267
Energy: 1.2180480339241333
Energy: 1.3758038086047835
Energy: 1.218688385715899
Energy: 1.219783394164467
Energy: 1.3262852421562745
Energy: 1.335999167076099
Energy: 1.2099787180698252
Energy: 1.2786302346146798
Energy: 1.2185152761943088
Energy: 1.206999572243714
Energy: 1.2794217880569845
Energy: 1.2798095597698584
Energy: 1.2186379601463853
Energy: 1.209281587405559
Energy: 1.3272160607212538
Energy: 1.2066212951170572
Energy: 1.3272964646673777
Energy: 1.219482417710085
Energy: 1.2662894995401843
Energy: 1.2099402073389671
Energy: 1.2096335007110994
Energy: 1.209275292775001
Energy: 1.209702850985802
Energy: 1.2179565899153106
Energy: 1.2037950316764618
Energy: 1.209372710554536
Energy: 1.2868054740980188
Energy: 1.2069420266313546
Energy: 1.2870581831621293
Energy: 1.2095603429107826
Energy: 1.2553453443062599
Energy: 1.2177468276501908
Energy: 1.3275103561566823
Energy: 1.2629657585319705
Energy: 1.2103447711647153
Energy: 1.2568215101020732
Energy: 1.255760677963878
Energy: 1.3325533753077448
Energy: 1.2040422308825922
Energy: 1.2634404065455227
Energy: 1.217810589769298
Energy: 1.2573123958886747
Energy: 1.2154662441511392
Energy: 1.2092950597164607
Energy: 1.217770800909532
Energy: 1.2622822816195656
Energy: 1.2177651470457422
Energy: 1.2076483990417866

minimum gb energy = 1.1931214018362626 eV
minimum distance =  2.23795648157999 Angstroms
sigma value = 101


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

Energy: 1.2217337788724767
Energy: 1.2071873127034003
Energy: 1.2067546451200932
Energy: 1.2065612791361517
Energy: 1.2066476704150648
Energy: 1.303052229449352
Energy: 1.1639252721069728
Energy: 1.1765187964161
Energy: 1.2021097085794235
Energy: 1.1648282360625049
Energy: 1.1681114448053742
Energy: 1.1621365133986319
Energy: 1.1641579676947078
Energy: 1.1679289548900849
Energy: 1.1595617854136189
Energy: 1.158770339962626
Energy: 1.1676493990079335
Energy: 1.167773744391583
Energy: 1.1778489289001035
Energy: 1.16929764216801
Energy: 1.1775603587824266
Energy: 1.162094177166625
Energy: 1.1676277331065963
Energy: 1.1804317956603656
Energy: 1.159098459698088
Energy: 1.1644632626398652
Energy: 1.1644848552412466
Energy: 1.1634374044694147
Energy: 1.162965630833299
Energy: 1.4029049212229374
Energy: 1.1777742148927917
Energy: 1.167813648513723
Energy: 1.1636808959956404
Energy: 1.1624383221747905
Energy: 1.1617512255246334
Energy: 1.1808567513214123
Energy: 1.167381581560314
Energy: 1.2641811775853269
Energy: 1.2757908485033962
Energy: 1.3713905923189915
Energy: 1.2651644836475269
Energy: 1.2642951528581907
Energy: 1.1682269295071852
Energy: 1.2640536641801727
Energy: 1.1621959714114802
Energy: 1.1634591271650327
Energy: 1.1620800155646296
Energy: 1.1678751302301735
Energy: 1.1787185742132924
Energy: 1.3250117145852627
Energy: 1.2651060732524233
Energy: 1.162137519054936
Energy: 1.2751805106573193
Energy: 1.263128895000845
Energy: 1.1792758872746385
Energy: 1.1682026379308803
Energy: 1.1626240131022865
Energy: 1.162266526049453
Energy: 1.2758141812316468
Energy: 1.167614961946368
Energy: 1.164200291664442
Energy: 1.1619343615597082
Energy: 1.1651557884857657
Energy: 1.1654379922964977
Energy: 1.165155967524453
Energy: 1.1626905173444737
Energy: 1.1650443954175607
Energy: 1.164532717273921
Energy: 1.2453770752797344
Energy: 1.1619471912574624
Energy: 1.1675362443437927
Energy: 1.1648599820487409
Energy: 1.1783129070540967
Energy: 1.1685486278004775
Energy: 1.1661795903112326
Energy: 1.1629341419003194
Energy: 1.1676354784530278
Energy: 1.1696876033598271
Energy: 1.1640450995228946
Energy: 1.1679299372465721
Energy: 1.1624793849078472
Energy: 1.1763699941817296
Energy: 1.168177427115339
Energy: 1.2445027828701103
Energy: 1.1655817034687328
Energy: 1.1629581348850535
Energy: 1.205868951472976
Energy: 1.2229847547724781
Energy: 1.2059613084586476
Energy: 1.1668078741096677
Energy: 1.2304572214144283
Energy: 1.2328928122894038
Energy: 1.1617043586188531
Energy: 1.2051120543934497
Energy: 1.1626999279171126
Energy: 1.2218989487644834
Energy: 1.2051061324350905
Energy: 1.164776745060549
Energy: 1.1595735463678323
Energy: 1.1591345767930579
Energy: 1.176625157416973
Energy: 1.2060640570087546
Energy: 1.2209401356790015
Energy: 1.163088528827277
Energy: 1.1676961641513783
Energy: 1.205392298986424
Energy: 1.1678359555207538
Energy: 1.162014348287432
Energy: 1.1602343711044933
Energy: 1.1642108456597873
Energy: 1.168193115333424
Energy: 1.164838942730118
Energy: 1.1682980391075417
Energy: 1.158525687544208
Energy: 1.1973143938752033
Energy: 1.1676167982859083
Energy: 1.1676328134969391
Energy: 1.178173877049628
Energy: 1.1798035341911053
Energy: 1.1651848002533194
Energy: 1.1620549997218133
Energy: 1.1646259025937185
Energy: 1.1649678100244818
Energy: 1.1596243302904579
Energy: 1.1645645709377526
Energy: 1.1651602622742394
Energy: 1.1623265107391128
Energy: 1.1631183109940175
Energy: 1.1680536422523242
Energy: 1.1782660424527764
Energy: 1.162518279827322
Energy: 1.162750616222707
Energy: 1.1618551107179018
Energy: 1.3725293822771951
Energy: 1.1678690727515215
Energy: 1.1685399457402497
Energy: 1.2644048791415177
Energy: 1.3716728378929302
Energy: 1.1621838384662528
Energy: 1.1622666898647636
Energy: 1.263526964679504
Energy: 1.1676762914265568
Energy: 1.263267121809405
Energy: 1.1638991206956135
Energy: 1.1618077805812734
Energy: 1.2762757852150053
Energy: 1.26371898402589
Energy: 1.1787145401661239
Energy: 1.263768299397843
Energy: 1.1647981666249798
Energy: 1.1618292655144657
Energy: 1.264094500456953
Energy: 1.167666609340365
Energy: 1.169083723803742
Energy: 1.1679531148367053
Energy: 1.2640721597486366
Energy: 1.1629763305333587
Energy: 1.1631239066134205
Energy: 1.1621722091023037
Energy: 1.1657722423247974
Energy: 1.1622986019571098
Energy: 1.1620051191206617
Energy: 1.162004692693024
Energy: 1.1648644162274602
Energy: 1.1622048729226888
Energy: 1.164536590554349
Energy: 1.1624584607184647
Energy: 1.162959211182342
Energy: 1.1629685866400996
Energy: 1.1646682239491322
Energy: 1.1789463228891124
Energy: 1.179034413030377
Energy: 1.1680251760841232
Energy: 1.1642239570288586
Energy: 1.162905797420383
Energy: 1.1689195508679358
Energy: 1.2438029209072288
Energy: 1.1643235051169287
Energy: 1.23432196666786
Energy: 1.1680686699331815
Energy: 1.2212967039320786
Energy: 1.1618508710020954
Energy: 1.1644362249791518
Energy: 1.1667399480314629
Energy: 1.1654638354083056
Energy: 1.206069515904486
Energy: 1.204863252814079
Energy: 1.2067442612415618
Energy: 1.1649439905819297
Energy: 1.1660885790208098
Energy: 1.1623773400606074
Energy: 1.2064176703974931
Energy: 1.1578803794565824
Energy: 1.1654026022918345
Energy: 1.1653864460502665
Energy: 1.2052154088364424
Energy: 1.1622013629560435
Energy: 1.2321614375911731

minimum gb energy = 1.1578803794565824 eV
minimum distance =  2.2483823507547 Angstroms
sigma value = 33


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

Energy: 0.015059137659763418
Energy: 0.08770756928371938
Energy: 0.08656179527928022
Energy: 0.08632509112825765
Energy: 0.08784946424863069
Energy: 0.015604163720037126
Energy: 0.10250067182636992
Energy: 0.10313319054124846
Energy: 0.10297887545661505
Energy: 0.10313401262962955
Energy: 0.1022375083420952
Energy: 0.10271406362788142
Energy: 0.9104674648372008
Energy: 0.08922326942936522
Energy: 0.015635771680422232
Energy: 0.01697068772582124
Energy: 0.08701987408318834
Energy: 0.08648978275811188
Energy: 0.01521557463093915
Energy: 0.10313319054124846
Energy: 0.10297887545661505
Energy: 0.10313401262962955
Energy: 0.10223750834138176
Energy: 0.10271406362788142

minimum gb energy = 0.015059137659763418 eV
minimum distance =  2.44218635907561 Angstroms
sigma value = 1