Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264249995487
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.570104262140588e-19, 2.26679154531588e-19, 2.7780300874589397e-19, 3.18291614463708e-19, 3.5160567321447e-19, 3.7964536648610397e-19, 4.035882941046e-19, 4.24225931327154e-19, 4.42125448682202e-19, 4.57703412094584e-19, 4.71281859067734e-19, 4.831155356864579e-19, 4.93404714030006e-19, 5.02320826998216e-19, 5.10001661781612e-19, 5.16560972921208e-19, 5.22102901898214e-19, 5.26709159720964e-19, 5.3045665086789e-19, 5.33409462404352e-19, 5.356252726891739e-19, 5.37155351374644e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.370367903037279e-19, 5.3525677206335395e-19, 5.325522979051619e-19, 5.2876635451902e-19, 5.23714691592018e-19, 5.171778109252979e-19, 5.08888149020982e-19, 4.98530077082172e-19, 4.8571586836344e-19, 4.69977687287658e-19, 4.50737148089952e-19, 4.27282884344826e-19, 3.98722483667142e-19, 3.6393922894300196e-19, 3.2150878514478e-19, 2.6960627308634996e-19, 2.0585406264285599e-19, 1.271146113119358e-19, 2.91969454543722e-20, -9.275689470178619e-20, -2.4469723295755197e-19, -4.379229393712199e-19, -6.799701721761359e-19, -9.718018395293339e-19, -1.3533922484491139e-18, -1.87986588820488e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010324785445562774
Energy: 0.08228975286590245
Energy: 0.07572853297965333
Energy: 0.11571014717486716
Energy: 0.08228975286640218
Energy: 0.1078837425559098
Energy: 0.08228975286590245
Energy: 0.1078837425559098
Energy: 0.07572853297868166
Energy: 0.08228975286640218
Energy: 0.010324785445562774
Energy: 0.08228975286590245
Energy: 0.11571014717486716
Energy: 0.10788374255738117
Energy: 0.08228975286590245
Energy: 0.10788374255785314

minimum gb energy = 0.010324785445562774 eV
minimum distance =  2.73955355239781 Angstroms
sigma value = 1


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

Energy: 0.3108052100825495
Energy: 0.3206129590225594
Energy: 0.31549165042704136
Energy: 0.30944475625869927
Energy: 0.2911762573597438
Energy: 0.274450422482627
Energy: 0.29344386999291816
Energy: 0.2744504224832331
Energy: 0.3216063517648983
Energy: 0.32131392424380295
Energy: 0.3428844427608043
Energy: 0.321313924244409
Energy: 0.29222038390661326
Energy: 0.309133021324435
Energy: 0.290664903267382
Energy: 0.309133021325041
Energy: 0.29435767836092586
Energy: 0.30072620251747134
Energy: 0.290548131101589
Energy: 0.30072620251747134
Energy: 0.2792863562218582
Energy: 0.2805752099122262
Energy: 0.31045006371576755
Energy: 0.2805752099122262
Energy: 0.27464422563834806
Energy: 0.2782902250823725
Energy: 0.29361570626336714
Energy: 0.27829022508116036
Energy: 0.2786384633326592
Energy: 0.26520137999075627
Energy: 0.28067511669463335
Energy: 0.26520137999136234
Energy: 0.27081604048083485
Energy: 0.27511215602187966
Energy: 0.27350548807464703
Energy: 0.27511215602127365
Energy: 0.27939886028463723
Energy: 0.25558511555908187
Energy: 0.26801174203895983
Energy: 0.2555851155596879
Energy: 0.27596470318105876
Energy: 0.2673107636583358
Energy: 0.2724455189091718
Energy: 0.2673107636589418
Energy: 0.27935019041326825
Energy: 0.2646885308945653
Energy: 0.2701227394019778
Energy: 0.2646885308945653
Energy: 0.275357390040461
Energy: 0.2799185592106851
Energy: 0.3110132816215631
Energy: 0.2799185592106851
Energy: 0.27852117051090014
Energy: 0.2816754223121333
Energy: 0.2925628958244503
Energy: 0.2816754223121333
Energy: 0.30928065384038145
Energy: 0.2969090299460786
Energy: 0.2983881662713007
Energy: 0.29690902994668467
Energy: 0.328527018723931
Energy: 0.3110210691121054
Energy: 0.2958035306982977
Energy: 0.3110210691121054
Energy: 0.3151822496689449
Energy: 0.296726209051681
Energy: 0.36152447938661647
Energy: 0.29672620905107494
Energy: 0.29236710963082035
Energy: 0.31016814437962764
Energy: 0.2869536505504394
Energy: 0.31016814437902157
Energy: 0.3336464144499534
Energy: 0.32555497096521646
Energy: 0.31636180739694
Energy: 0.32555497096521646
Energy: 0.28862770047662484
Energy: 0.28003722443014134
Energy: 0.2920610988535668
Energy: 0.28003722442953527
Energy: 0.2930300051980922
Energy: 0.2933063325019522
Energy: 0.294695389312725
Energy: 0.2933063325019522
Energy: 0.3054081009129839
Energy: 0.28556516955167205
Energy: 0.2828654573648427
Energy: 0.28556516955167205
Energy: 0.2941121794853742
Energy: 0.2786290591184466
Energy: 0.2751432552304566
Energy: 0.27862905911905267
Energy: 0.2830274514686767
Energy: 0.27161611421926807
Energy: 0.28013202142493154
Energy: 0.27161611421987414
Energy: 0.2757245863569995
Energy: 0.26843734190211127
Energy: 0.27109592799741783
Energy: 0.2684373419027173
Energy: 0.2679739988443985
Energy: 0.25557235453832616
Energy: 0.29270481736047976
Energy: 0.25557235453772015
Energy: 0.2718511344805441
Energy: 0.26501179922595447
Energy: 0.2765991928893379
Energy: 0.26501179922595447
Energy: 0.2746711196140948
Energy: 0.26392141256949
Energy: 0.27922886357618687
Energy: 0.2639214125688839
Energy: 0.30917572654965836
Energy: 0.28079105934475507
Energy: 0.2744808343356291
Energy: 0.28079105934475507
Energy: 0.29330986440049933
Energy: 0.28182909587766636
Energy: 0.2781335296887938
Energy: 0.28182909587766636
Energy: 0.29607004224556904
Energy: 0.29093814109396166
Energy: 0.30723361065490257
Energy: 0.2909381410963858
Energy: 0.29284046712439826
Energy: 0.30146270756120414
Energy: 0.3306527661077264
Energy: 0.30146270756059806
Energy: 0.306724439804572
Energy: 0.2948747807714989
Energy: 0.3185470244853162
Energy: 0.2948747807714989

minimum gb energy = 0.25557235453772015 eV
minimum distance =  2.52408437854192 Angstroms
sigma value = 1


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

Energy: 0.35607107440019736
Energy: 0.32476743738652697
Energy: 0.32640341189380556
Energy: 0.31543979454523585
Energy: 0.28982791033938093
Energy: 0.2818065968291885
Energy: 0.2899469696103695
Energy: 0.28180659682987946
Energy: 0.3272270472162164
Energy: 0.3294239081954827
Energy: 0.33110426962428946
Energy: 0.3294239081961737
Energy: 0.3121644976786588
Energy: 0.30569658359652346
Energy: 0.29464601375866056
Energy: 0.3056965835972144
Energy: 0.33111859730403187
Energy: 0.29889290124983076
Energy: 0.2964632537571074
Energy: 0.29889290125052176
Energy: 0.29114462828938015
Energy: 0.276008160323015
Energy: 0.3041794565434357
Energy: 0.27600816032232395
Energy: 0.27602953598385266
Energy: 0.2797327053160368
Energy: 0.2843468877586774
Energy: 0.2797327053167277
Energy: 0.27711252955204724
Energy: 0.2614891815722844
Energy: 0.28344218282959677
Energy: 0.2614891815729754
Energy: 0.28586960799768096
Energy: 0.2753910803682349
Energy: 0.2703598164162512
Energy: 0.27539108036892596
Energy: 0.2988489764685634
Energy: 0.2638166128573342
Energy: 0.27587007811070374
Energy: 0.26381661285457025
Energy: 0.298366504247545
Energy: 0.27529985376284816
Energy: 0.2771537760512777
Energy: 0.2752998537614662
Energy: 0.2794742076988094
Energy: 0.27701903419280155
Energy: 0.2788504204950787
Energy: 0.27701903418934654
Energy: 0.29909466378474764
Energy: 0.29364238350806177
Energy: 0.29679238490354287
Energy: 0.29364238350598876
Energy: 0.29672370245263935
Energy: 0.30190148377665266
Energy: 0.3232749167527637
Energy: 0.3019014837780347
Energy: 0.35301399172745485
Energy: 0.2932314675994355
Energy: 0.32902637661609524
Energy: 0.29323146759877594
Energy: 0.2933916897989686
Energy: 0.30461195220012116
Energy: 0.2880380188839724
Energy: 0.3046119522008121
Energy: 0.3242478779356933
Energy: 0.3240648317066786
Energy: 0.32396367806517085
Energy: 0.3240648317046056
Energy: 0.31065799600718397
Energy: 0.2761782445074567
Energy: 0.3182176050669022
Energy: 0.27617824450814765
Energy: 0.32582454848466974
Energy: 0.29330358524993433
Energy: 0.29113201087740503
Energy: 0.2933035852471704
Energy: 0.2902575046699621
Energy: 0.2747431321686966
Energy: 0.29524390026509695
Energy: 0.2747431321680056
Energy: 0.27750003110123017
Energy: 0.27975312897553234
Energy: 0.28500841825717527
Energy: 0.2797531289762233
Energy: 0.27957160499872613
Energy: 0.267951011202899
Energy: 0.31197269462568994
Energy: 0.2679510112042809
Energy: 0.28510458266466515
Energy: 0.2679962113143045
Energy: 0.2717394344377726
Energy: 0.26799621131361345
Energy: 0.2757711900377884
Energy: 0.2625426021779043
Energy: 0.2764379626335755
Energy: 0.2625426021772133
Energy: 0.2981356284047499
Energy: 0.27731534212969805
Energy: 0.27576443076630497
Energy: 0.277315342130389
Energy: 0.2801564070922008
Energy: 0.27716935951366295
Energy: 0.2791448698300176
Energy: 0.27716935951228094
Energy: 0.29539682698394426
Energy: 0.30062852901846504
Energy: 0.2963486087190736
Energy: 0.30062852901777404
Energy: 0.28830835233448876
Energy: 0.2954766298411147
Energy: 0.3246286005996555
Energy: 0.29547662984318773
Energy: 0.31911624423678
Energy: 0.3013131529878198
Energy: 0.3287966020600592
Energy: 0.3013131529892018

minimum gb energy = 0.2614891815722844 eV
minimum distance =  2.5191444856124 Angstroms
sigma value = 25


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

Energy: 0.34516191762683485
Energy: 0.33880135085701335
Energy: 0.34033899656916766
Energy: 0.3095643788287312
Energy: 0.2866052670176616
Energy: 0.3086940618968891
Energy: 0.28454324892687866
Energy: 0.3086940618968891
Energy: 0.3406489159521235
Energy: 0.3389219885202449
Energy: 0.3135415334001196
Energy: 0.3389219885202449
Energy: 0.2983564643496546
Energy: 0.27453382798800496
Energy: 0.28883026974366394
Energy: 0.27453382798800496
Energy: 0.3150187122009424
Energy: 0.2947339310027779
Energy: 0.2951171841788021
Energy: 0.2947339310027779
Energy: 0.2903688617587514
Energy: 0.2737131015056279
Energy: 0.293213373605278
Energy: 0.2737131015056279
Energy: 0.28134271637134045
Energy: 0.28092550593002547
Energy: 0.2785635801738239
Energy: 0.28092550593002547
Energy: 0.27607693295591795
Energy: 0.26428499238853226
Energy: 0.29193863633231926
Energy: 0.26428499238772896
Energy: 0.2807766748637126
Energy: 0.279767197144544
Energy: 0.2838411216784907
Energy: 0.279767197144544
Energy: 0.2781671370035314
Energy: 0.27064363769911715
Energy: 0.2924260019278232
Energy: 0.27064363769911715
Energy: 0.3460328798685193
Energy: 0.2932690120747894
Energy: 0.29306678749672405
Energy: 0.2932690120739861
Energy: 0.31367309848345976
Energy: 0.2945834295658253
Energy: 0.288366140375243
Energy: 0.29458342956662853
Energy: 0.3397891270212371
Energy: 0.2957870639837658
Energy: 0.34032012451503246
Energy: 0.2957870639837658
Energy: 0.2858143550492843
Energy: 0.2941993841183811
Energy: 0.2956559611051049
Energy: 0.29419938411677454
Energy: 0.3099833470065714
Energy: 0.34129300574085153
Energy: 0.3411941671885359
Energy: 0.34129300574085153
Energy: 0.3170564132378485
Energy: 0.29635520361018364
Energy: 0.2973055276247419
Energy: 0.2963552036085771
Energy: 0.2852166654674596
Energy: 0.29566294869565135
Energy: 0.3113549187363594
Energy: 0.29566294869565135
Energy: 0.291600410657835
Energy: 0.27228547171758954
Energy: 0.28851745279078816
Energy: 0.2722854717167862
Energy: 0.27953296995230975
Energy: 0.28118799548608453
Energy: 0.2847326322813941
Energy: 0.28118799548608453
Energy: 0.2996447651683207
Energy: 0.2658113079234601
Energy: 0.27907670717136757
Energy: 0.2658113079234601
Energy: 0.2861747257511178
Energy: 0.2745714606887169
Energy: 0.2804392284437897
Energy: 0.27457146068791366
Energy: 0.27509332655623936
Energy: 0.27153729313278663
Energy: 0.28114539127973
Energy: 0.27153729313198344
Energy: 0.2931881607061616
Energy: 0.2959827687617611
Energy: 0.31792979445170316
Energy: 0.2959827687617611
Energy: 0.28446168173811465
Energy: 0.29352643092405833
Energy: 0.3167046270134093
Energy: 0.29352643092405833
Energy: 0.31051595717695385
Energy: 0.2951323256778625
Energy: 0.34035263118985165
Energy: 0.2951323256786658

minimum gb energy = 0.26428499238772896 eV
minimum distance =  2.52679327488314 Angstroms
sigma value = 9


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

Energy: 0.3198816103502019
Energy: 0.3362255273978028
Energy: 0.3348187800720148
Energy: 0.2943794665940283
Energy: 0.30643484672974586
Energy: 0.3081773232539608
Energy: 0.3062247071735983
Energy: 0.3081773232530026
Energy: 0.33859335063261886
Energy: 0.33652376071637013
Energy: 0.301754117039086
Energy: 0.33652376071637013
Energy: 0.30428657579463103
Energy: 0.3052459455735862
Energy: 0.28466869754665325
Energy: 0.30524594557166973
Energy: 0.29581486519166295
Energy: 0.2867621106383353
Energy: 0.2887830481089558
Energy: 0.2867621106383353
Energy: 0.302323315863634
Energy: 0.28168168955992173
Energy: 0.28542106458118044
Energy: 0.28168168955896355
Energy: 0.2733062358814337
Energy: 0.278523078660907
Energy: 0.30080830830666394
Energy: 0.2785230786589905
Energy: 0.28683622240525614
Energy: 0.27896842809737954
Energy: 0.3000965810151721
Energy: 0.278968428095463
Energy: 0.28850607066710116
Energy: 0.2851421987482706
Energy: 0.3224878240631104
Energy: 0.2851421987482706
Energy: 0.2842710048093737
Energy: 0.2930624745368291
Energy: 0.3063835391023285
Energy: 0.2930624745368291
Energy: 0.3210359881326088
Energy: 0.294273123502986
Energy: 0.3379047712064587
Energy: 0.29427312350394425
Energy: 0.30877954484359116
Energy: 0.2934953490821459
Energy: 0.30695830856863443
Energy: 0.29349534908310415
Energy: 0.33537524643934913
Energy: 0.3515862857318782
Energy: 0.30155353488240233
Energy: 0.3515862857290034
Energy: 0.3043898143573798
Energy: 0.2933805901720408
Energy: 0.3146223606376474
Energy: 0.29338059017108264
Energy: 0.2950213877070743
Energy: 0.2858706763041038
Energy: 0.285126078388546
Energy: 0.2858706763012291
Energy: 0.28396522946074265
Energy: 0.2869850015627432
Energy: 0.28639027243961845
Energy: 0.2869850015617849
Energy: 0.2711669380564856
Energy: 0.28132044639266507
Energy: 0.29920746412426785
Energy: 0.28132044639362325
Energy: 0.2723607863088875
Energy: 0.2782536298003164
Energy: 0.29600495332417026
Energy: 0.2782536298003164
Energy: 0.28587254230221326
Energy: 0.28514261355297904
Energy: 0.30638174485365427
Energy: 0.28514261355393733
Energy: 0.2849680062707879
Energy: 0.29333220838188384
Energy: 0.3091150722673175
Energy: 0.29333220838188384
Energy: 0.2990344078564952
Energy: 0.2934056193903218
Energy: 0.3385124335210595
Energy: 0.29340561938936355

minimum gb energy = 0.2711669380564856 eV
minimum distance =  2.50591212726958 Angstroms
sigma value = 25


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

Energy: 0.2894215612324689
Energy: 0.32533399785751205
Energy: 0.32578443958361436
Energy: 0.2697514236694703
Energy: 0.30011910808474856
Energy: 0.2873820373935395
Energy: 0.2753376514488797
Energy: 0.2873820373935395
Energy: 0.32574333802749345
Energy: 0.32603813307902485
Energy: 0.3251433176427506
Energy: 0.32603813307902485
Energy: 0.3007954638696841
Energy: 0.2872140386576397
Energy: 0.27563805855230594
Energy: 0.2872140386576397
Energy: 0.2815345161294758
Energy: 0.2856027005484874
Energy: 0.28347216896011707
Energy: 0.2856027005484874
Energy: 0.27038521617292693
Energy: 0.2820104928234189
Energy: 0.27347892241675203
Energy: 0.2820104928234189
Energy: 0.29498630625126415
Energy: 0.28345143286200963
Energy: 0.28652026293819155
Energy: 0.28345143286200963
Energy: 0.27383655786662237
Energy: 0.28436999754698367
Energy: 0.27514148275873646
Energy: 0.28436999754698367
Energy: 0.3274906674421504
Energy: 0.28398109792016274
Energy: 0.32291966794440835
Energy: 0.28398109791897774
Energy: 0.2748687621617852
Energy: 0.28524786112108497
Energy: 0.32152596725056226
Energy: 0.28524786112108497
Energy: 0.3250020545670037
Energy: 0.299131852211747
Energy: 0.33191550098552486
Energy: 0.299131852211747
Energy: 0.3180540486371381
Energy: 0.2856476296413274
Energy: 0.2984828130714254
Energy: 0.2856476296413274
Energy: 0.2742051919792178
Energy: 0.2825726331309739
Energy: 0.27975266206871885
Energy: 0.28257263312978886
Energy: 0.27570175504518807
Energy: 0.2790213882770189
Energy: 0.3020391438674147
Energy: 0.2790213882770189
Energy: 0.28152221618304346
Energy: 0.27894495810215403
Energy: 0.28739797102930226
Energy: 0.27894495810215403
Energy: 0.2749078374267169
Energy: 0.28251062860580434
Energy: 0.286953101885307
Energy: 0.28251062860580434
Energy: 0.3223368454432147
Energy: 0.284328842805374
Energy: 0.3290406800211754
Energy: 0.28432884280418896

minimum gb energy = 0.2697514236694703 eV
minimum distance =  2.58017975886351 Angstroms
sigma value = 17


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

Energy: 0.4319302240142507
Energy: 0.34303065523458326
Energy: 0.35596760628066293
Energy: 0.2950816696111141
Energy: 0.2755096635996676
Energy: 0.28850962939045616
Energy: 0.30216332759098025
Energy: 0.28850962939045616
Energy: 0.2948121005160429
Energy: 0.2869132175719152
Energy: 0.3594847629025935
Energy: 0.28691321756923055
Energy: 0.2814695913874548
Energy: 0.2876345894443483
Energy: 0.28156457350500463
Energy: 0.2876345894436771
Energy: 0.3214750560895673
Energy: 0.3006669995561125
Energy: 0.2845743014596606
Energy: 0.30066699955675313
Energy: 0.28049028936226605
Energy: 0.2893801913489227
Energy: 0.28474800883367496
Energy: 0.28938019134959386
Energy: 0.28582219637270057
Energy: 0.2893341383845464
Energy: 0.29877173324242967
Energy: 0.2893341383845464
Energy: 0.3277245562044348
Energy: 0.2863210965229107
Energy: 0.2952210577116938
Energy: 0.2863210965229107
Energy: 0.3673048255393642
Energy: 0.3014074935964203
Energy: 0.30492956766287604
Energy: 0.3014074935944068
Energy: 0.3232085381596188
Energy: 0.28868955082734654
Energy: 0.30240763730979026
Energy: 0.28868955082734654
Energy: 0.31854122483618846
Energy: 0.30416675304498214
Energy: 0.2757149450139011
Energy: 0.3041667530456533
Energy: 0.3083418556964359
Energy: 0.2759594296554461
Energy: 0.28315919500368186
Energy: 0.27595942965611725
Energy: 0.2849510469698894
Energy: 0.2761191314126687
Energy: 0.2856866836299306
Energy: 0.2761191314119975
Energy: 0.2869474025131918
Energy: 0.3095768014284378
Energy: 0.27601248097432307
Energy: 0.30957680142776667
Energy: 0.35890791650755705
Energy: 0.28996195854102097
Energy: 0.3284110749599835
Energy: 0.28996195854102097
Energy: 0.3699040497524503
Energy: 0.29135576097870447
Energy: 0.32957159727498014
Energy: 0.29135576097736215
Energy: 0.306260627974917
Energy: 0.2870173943555388
Energy: 0.2980062432640967
Energy: 0.2870173943548676
Energy: 0.30592996016375723
Energy: 0.2888439366122153
Energy: 0.2983134244765322
Energy: 0.2888439366128865
Energy: 0.28084787629219815
Energy: 0.2921869580159659
Energy: 0.28230594906629336
Energy: 0.2921869580159659
Energy: 0.29171104642593015
Energy: 0.30249165598360006
Energy: 0.28169283819923896
Energy: 0.30249165598360006
Energy: 0.28056696839843087
Energy: 0.28759241027974447
Energy: 0.32745290778000086
Energy: 0.28759241027974447
Energy: 0.2970612511209508
Energy: 0.2840744318709417
Energy: 0.34549548067448543
Energy: 0.2840744318709417
Energy: 0.30129792270165784
Energy: 0.28858757692705217
Energy: 0.3322020625897364
Energy: 0.28858757692705217
Energy: 0.355604711935608
Energy: 0.3428757308352311
Energy: 0.3599736622544857
Energy: 0.3428757308352311
Energy: 0.27909827839164186
Energy: 0.28639406160024544
Energy: 0.30793823494718475
Energy: 0.28639406160024544
Energy: 0.2870473280277492
Energy: 0.27566890357224655
Energy: 0.29822889636003247
Energy: 0.27566890357224655
Energy: 0.27673057058909667
Energy: 0.2755596140808167
Energy: 0.28613933474062364
Energy: 0.2755596140814878
Energy: 0.2859079632765472
Energy: 0.27955664635847255
Energy: 0.3450210542253149
Energy: 0.27955664636649596
Energy: 0.2789000674469097
Energy: 0.2888516533393689
Energy: 0.2849766495102211
Energy: 0.2888516533386978
Energy: 0.32738967545306763
Energy: 0.3399877537390692
Energy: 0.35499238313714326
Energy: 0.3399877537390692

minimum gb energy = 0.2755096635996676 eV
minimum distance =  2.55376911202114 Angstroms
sigma value = 53


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

Energy: 0.3907972815962254
Energy: 0.3179943800634728
Energy: 0.3093996610194693
Energy: 0.2511015717850139
Energy: 0.2742648011164082
Energy: 0.2519541432529678
Energy: 0.27764413836599516
Energy: 0.2519541432529678
Energy: 0.3244702722156364
Energy: 0.25220158863984965
Energy: 0.28160646846425397
Energy: 0.25220158864293996
Energy: 0.2751049033071681
Energy: 0.25268129266219086
Energy: 0.2748722915075339
Energy: 0.25268129266064576
Energy: 0.2780739834195591
Energy: 0.2643154933889743
Energy: 0.23344656748365394
Energy: 0.26431549339051946
Energy: 0.27305195195121446
Energy: 0.2541373794380157
Energy: 0.23305324914700554
Energy: 0.2541373794380157
Energy: 0.30707154638542683
Energy: 0.2542132824623124
Energy: 0.3286663755656665
Energy: 0.2542132824623124
Energy: 0.3077127077993653
Energy: 0.25318545590296165
Energy: 0.3229972025285294
Energy: 0.2531854559014165
Energy: 0.323085841011145
Energy: 0.2529017469409546
Energy: 0.26696610754739614
Energy: 0.2529017469409546
Energy: 0.27341909125439107
Energy: 0.2521137927623908
Energy: 0.2735174540038821
Energy: 0.2521137927623908
Energy: 0.274179965851547
Energy: 0.26762819328724385
Energy: 0.23310635139962463
Energy: 0.26762819328724385
Energy: 0.273721161684662
Energy: 0.2522905671650728
Energy: 0.23855850266518847
Energy: 0.25229056716352766
Energy: 0.307745069802115
Energy: 0.25277649268123153
Energy: 0.3233342867647321
Energy: 0.25277649268123153

minimum gb energy = 0.23305324914700554 eV
minimum distance =  2.60117191585525 Angstroms
sigma value = 9


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

Energy: 0.3922552248265239
Energy: 0.35337307065826556
Energy: 0.37610148132701027
Energy: 0.2922176885864065
Energy: 0.2913572588076627
Energy: 0.2822249046387595
Energy: 0.3756874626671416
Energy: 0.2822249046381876
Energy: 0.28308523838655536
Energy: 0.28029835679582465
Energy: 0.3680199595260559
Energy: 0.28029835679468085
Energy: 0.28462641487484275
Energy: 0.28373072124301474
Energy: 0.3603588841350295
Energy: 0.28373072124301474
Energy: 0.28481399309692834
Energy: 0.2894798232423389
Energy: 0.3547834380594329
Energy: 0.2894798232423389
Energy: 0.2821161031589204
Energy: 0.28985342480575554
Energy: 0.3604173408902004
Energy: 0.2898534248063274
Energy: 0.37661954062581626
Energy: 0.3325872634049353
Energy: 0.361692292716838
Energy: 0.3325872634043634
Energy: 0.35061572400895635
Energy: 0.2817667355520818
Energy: 0.3424128409529252
Energy: 0.28176673555265375
Energy: 0.30579057901611334
Energy: 0.286451245827977
Energy: 0.30327160728921143
Energy: 0.28645124582854886
Energy: 0.28336979681508245
Energy: 0.2862995874668737
Energy: 0.3413501860596879
Energy: 0.28629958746744555
Energy: 0.30504821290618217
Energy: 0.28595752258886165
Energy: 0.36221534726658794
Energy: 0.28595752258828977
Energy: 0.29910613996499935
Energy: 0.300892655981272
Energy: 0.35471823943305025
Energy: 0.300892655981272
Energy: 0.3656586861599145
Energy: 0.2857577631789104
Energy: 0.35900442268411514
Energy: 0.28575776317833845
Energy: 0.3584817602968508
Energy: 0.30849852608519773
Energy: 0.3104007455920056
Energy: 0.30849852608519773
Energy: 0.33908879306676065
Energy: 0.2871005693507369
Energy: 0.3035236695664252
Energy: 0.2871005693495931
Energy: 0.3268965806136995
Energy: 0.286310705387607
Energy: 0.30339409187740984
Energy: 0.286310705387607
Energy: 0.3505597694714823
Energy: 0.29720204393194194
Energy: 0.29490615381037133
Energy: 0.2972020439330857
Energy: 0.37034557397731455
Energy: 0.2867491850293435
Energy: 0.3915703314665582
Energy: 0.2867491850413529
Energy: 0.3739493805758375
Energy: 0.2850242059105482
Energy: 0.3045155147563397
Energy: 0.28502420590940447
Energy: 0.36859638415890766
Energy: 0.28028749734132397
Energy: 0.28557143410206826
Energy: 0.2802874973418959
Energy: 0.3611873774871603
Energy: 0.28413322030368204
Energy: 0.28321679404776806
Energy: 0.28413322030368204
Energy: 0.3587213422774952
Energy: 0.2793663767891109
Energy: 0.28747212340456474
Energy: 0.2793663767902547
Energy: 0.3608323248398178
Energy: 0.3009827643987705
Energy: 0.28518404900418326
Energy: 0.3009827643976267
Energy: 0.3422361762580321
Energy: 0.2828473010858692
Energy: 0.356755091568472
Energy: 0.28284730108701295
Energy: 0.34362217478304546
Energy: 0.2818353368955662
Energy: 0.36860870511763444
Energy: 0.2818353368949943
Energy: 0.3024543435706967
Energy: 0.2938935523174372
Energy: 0.3069034843086942
Energy: 0.2938935523162935
Energy: 0.34191508650548075
Energy: 0.29665892404238
Energy: 0.2850500040023594
Energy: 0.29665892404238
Energy: 0.3620897218092635
Energy: 0.2859296385080118
Energy: 0.30419338442447474
Energy: 0.28592963850743985
Energy: 0.39728266092224196
Energy: 0.2903068983934246
Energy: 0.30761561814240196
Energy: 0.2903068983934246
Energy: 0.3375033628913845
Energy: 0.2858174752294726
Energy: 0.3683404362624771
Energy: 0.2858174752294726
Energy: 0.31168371496109626
Energy: 0.3063526174441945
Energy: 0.34400273193460457
Energy: 0.3063526174447664
Energy: 0.3049302498601783
Energy: 0.28522608352898793
Energy: 0.3360731921172793
Energy: 0.28522608352898793
Energy: 0.30551754075037235
Energy: 0.28158326473852635
Energy: 0.3256755405545602
Energy: 0.28158326473852635
Energy: 0.29809310078819146
Energy: 0.2982521309039427
Energy: 0.32316896245306165
Energy: 0.2982521309039427
Energy: 0.390269110913589
Energy: 0.28594531964788433
Energy: 0.3714801702916237
Energy: 0.28594531964273745

minimum gb energy = 0.2793663767891109 eV
minimum distance =  2.54566663619861 Angstroms
sigma value = 73


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

Energy: 0.3887812491300801
Energy: 0.3308097707428588
Energy: 0.36135762732168875
Energy: 0.2735510604420141
Energy: 0.29359771390782313
Energy: 0.2983022344450671
Energy: 0.3309217131522249
Energy: 0.2983022344450671
Energy: 0.29885761766569924
Energy: 0.2831588624237742
Energy: 0.3500725543852457
Energy: 0.2831588624237742
Energy: 0.2964380314045365
Energy: 0.28473926391513676
Energy: 0.36746372100565583
Energy: 0.28473926391425014
Energy: 0.2921957018538628
Energy: 0.2798641785024863
Energy: 0.36296617640223583
Energy: 0.279864178501579
Energy: 0.312323079393434
Energy: 0.28027548903017946
Energy: 0.36847619339796045
Energy: 0.28027548903017946
Energy: 0.40646587186717864
Energy: 0.3345736703177504
Energy: 0.367053936172852
Energy: 0.33457367031956514
Energy: 0.32876346943784995
Energy: 0.2854942068709217
Energy: 0.3513236542770125
Energy: 0.285494206871829
Energy: 0.32077457288079936
Energy: 0.2695848980470147
Energy: 0.34513607126206386
Energy: 0.2695848980470147
Energy: 0.30220138153892606
Energy: 0.29443755749282446
Energy: 0.33774616332524865
Energy: 0.29443755749191713
Energy: 0.31153717327368574
Energy: 0.2713173399925334
Energy: 0.3422248918455976
Energy: 0.27131733999162605
Energy: 0.2984742817486056
Energy: 0.2847640320895889
Energy: 0.352691406961212
Energy: 0.28476403209049617
Energy: 0.34009459096493094
Energy: 0.2698496556065006
Energy: 0.30192886230151433
Energy: 0.2698496556065006
Energy: 0.3384296874232603
Energy: 0.26926082169847515
Energy: 0.3120266125675874
Energy: 0.26926082169847515
Energy: 0.3420951169022041
Energy: 0.27806763880134505
Energy: 0.30262085106201775
Energy: 0.27806763880043767
Energy: 0.38087148364080614
Energy: 0.2926427106594641
Energy: 0.3060804843083369
Energy: 0.29264271066037145
Energy: 0.36578730367822443
Energy: 0.30071525426302836
Energy: 0.3177816375893854
Energy: 0.30071525426302836
Energy: 0.35604875993471186
Energy: 0.28488655014003617
Energy: 0.42235068711325363
Energy: 0.2848865501409435
Energy: 0.3327310968998675
Energy: 0.3010952615908628
Energy: 0.3238028572509803
Energy: 0.3010952615899555
Energy: 0.34694053964315613
Energy: 0.29789263884526723
Energy: 0.3284308898972295
Energy: 0.29789263884526723
Energy: 0.3342824899910734
Energy: 0.2871031271408166
Energy: 0.30490163207074533
Energy: 0.2871031271408166
Energy: 0.36792948154127086
Energy: 0.28373995890277454
Energy: 0.3306966166747403
Energy: 0.2837399589018672

minimum gb energy = 0.26926082169847515 eV
minimum distance =  2.56174199680501 Angstroms
sigma value = 7


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

Energy: 0.535754274179849
Energy: 0.35429357320792476
Energy: 0.3640028212093606
Energy: 0.2874722170352852
Energy: 0.3011477520634043
Energy: 0.29957720332252163
Energy: 0.368595803691391
Energy: 0.29957720332188015
Energy: 0.3020748675161704
Energy: 0.2751997091884089
Energy: 0.3404407600470637
Energy: 0.2751997091896921
Energy: 0.3002121673612493
Energy: 0.2763321790045737
Energy: 0.3697291754408853
Energy: 0.2763321790013658
Energy: 0.2999619454479411
Energy: 0.28712906476657074
Energy: 0.3552189635960255
Energy: 0.28712906476657074
Energy: 0.3368341865417212
Energy: 0.2864870374554881
Energy: 0.3534772996345197
Energy: 0.28648703745356335
Energy: 0.390771916067485
Energy: 0.29332634486226344
Energy: 0.3048755987788386
Energy: 0.293326344862905
Energy: 0.3838347494148975
Energy: 0.28517901353608827
Energy: 0.2997665647611685
Energy: 0.2851790135373715
Energy: 0.3706773676511769
Energy: 0.3010250429651386
Energy: 0.3000583253186579
Energy: 0.301025042964497
Energy: 0.37672030117889393
Energy: 0.2756601906352687
Energy: 0.30264627477838707
Energy: 0.2756601906352687
Energy: 0.3729255395414346
Energy: 0.30156085895313894
Energy: 0.36865745103572484
Energy: 0.3015608589550636
Energy: 0.34388244255184525
Energy: 0.2891311953564819
Energy: 0.3900524503946931
Energy: 0.28913119535391557
Energy: 0.3292382659558243
Energy: 0.2866414184423085
Energy: 0.3293770003346601
Energy: 0.2866414184410253
Energy: 0.3373073157898592
Energy: 0.2860961195453098
Energy: 0.3026690318597779
Energy: 0.2860961195453098
Energy: 0.33738878124503885
Energy: 0.2866090080240811
Energy: 0.30818930322039445
Energy: 0.2866090080234396
Energy: 0.41637977410049554
Energy: 0.29015606363038043
Energy: 0.3402211503127586
Energy: 0.2901560636290973
Energy: 0.4025424334350762
Energy: 0.30142332561745777
Energy: 0.3731825666927904
Energy: 0.30142332561745777
Energy: 0.30294712613648855
Energy: 0.2761419218332247
Energy: 0.32751675132820357
Energy: 0.2761419218319416
Energy: 0.3005748473762597
Energy: 0.30153284965173643
Energy: 0.3729123457840527
Energy: 0.3015328496504533
Energy: 0.29962997504683847
Energy: 0.2848966281066195
Energy: 0.3721752659020807
Energy: 0.2848966281059779
Energy: 0.2995113732340467
Energy: 0.29533663661876075
Energy: 0.3572336416291598
Energy: 0.29533663661876075
Energy: 0.3818815181839424
Energy: 0.2863593354022415
Energy: 0.3331468784845102
Energy: 0.28635933540159997
Energy: 0.37399120851709056
Energy: 0.28691492494704535
Energy: 0.300933229512519
Energy: 0.286914924944479
Energy: 0.37319380746717823
Energy: 0.27648557260301376
Energy: 0.2993492517381818
Energy: 0.2764855725998059
Energy: 0.37482668739708497
Energy: 0.2750797457171369
Energy: 0.30204014348000585
Energy: 0.2750797457164954
Energy: 0.3646155837792935
Energy: 0.30005031540512717
Energy: 0.30038926802797355
Energy: 0.30005031540448557
Energy: 0.36356765195593904
Energy: 0.33894826642739373
Energy: 0.39464735114580496
Energy: 0.3389482664280353
Energy: 0.33664161782257696
Energy: 0.29880816547013045
Energy: 0.3295950122899485
Energy: 0.2988081654675933
Energy: 0.3411326558607559
Energy: 0.2874882818023279
Energy: 0.32698890049217005
Energy: 0.28748828180168634
Energy: 0.33447711656899815
Energy: 0.28630660238452893
Energy: 0.30291651063947234
Energy: 0.28630660238452893
Energy: 0.404113837128736
Energy: 0.30569158172012606
Energy: 0.34242677316215026
Energy: 0.30569158171948446

minimum gb energy = 0.2750797457164954 eV
minimum distance =  2.56909102250897 Angstroms
sigma value = 29


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

Energy: 0.2821133467834171
Energy: 0.32698065733813503
Energy: 0.338117670409494
Energy: 0.25784969157686605
Energy: 0.30923906826784797
Energy: 0.26282853683893403
Energy: 0.2996711641517499
Energy: 0.26282853684044866
Energy: 0.3099284565245591
Energy: 0.259521480585176
Energy: 0.289067367308447
Energy: 0.2595214805860451
Energy: 0.29439739010996935
Energy: 0.264677177000844
Energy: 0.3096796991984113
Energy: 0.2646771770012661
Energy: 0.30056723909361244
Energy: 0.2890898811951682
Energy: 0.28909524001831405
Energy: 0.28908988119561513
Energy: 0.3095550168834051
Energy: 0.2997647404021407
Energy: 0.2900321793069054
Energy: 0.29976474040169376
Energy: 0.28799373145874513
Energy: 0.2592771046531769
Energy: 0.30342433425647464
Energy: 0.25927710465471643
Energy: 0.3092370832736308
Energy: 0.26286662469532096
Energy: 0.29657288781845353
Energy: 0.2628666246948988
Energy: 0.2951930798794571
Energy: 0.2623782912200716
Energy: 0.29247315105772476
Energy: 0.26237829122027023

minimum gb energy = 0.25784969157686605 eV
minimum distance =  2.63368164842348 Angstroms
sigma value = 5


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

Energy: 0.4538064447775166
Energy: 0.3080677761345348
Energy: 0.3541539321305441
Energy: 0.29512886328271476
Energy: 0.3581253736420896
Energy: 0.2906256713715384
Energy: 0.3564452452474466
Energy: 0.29062567137214446
Energy: 0.35578867319304847
Energy: 0.2914343125166194
Energy: 0.35492168520290035
Energy: 0.29143431251540725
Energy: 0.3135913516697506
Energy: 0.2990211132706102
Energy: 0.3549700303776614
Energy: 0.2990211132700042
Energy: 0.36054102646220343
Energy: 0.3066657749012223
Energy: 0.35563015231242573
Energy: 0.3066657749012223
Energy: 0.3039065073350128
Energy: 0.31058787710174895
Energy: 0.351632168559469
Energy: 0.31058787710114294
Energy: 0.2951111612185384
Energy: 0.2916842887667304
Energy: 0.3547632018777851
Energy: 0.2916842887667304
Energy: 0.2991985333342742
Energy: 0.2911544191161037
Energy: 0.3877833209866059
Energy: 0.29115441911549766
Energy: 0.3262656183492562
Energy: 0.2881711578396954
Energy: 0.38962519977212784
Energy: 0.2881711578396954
Energy: 0.346289040613866
Energy: 0.2884242648878637
Energy: 0.28009988007813014
Energy: 0.2884242648884698
Energy: 0.33109967776737204
Energy: 0.2869829000434729
Energy: 0.27648145690778675
Energy: 0.2869829000434729
Energy: 0.385697656205006
Energy: 0.29407955187583534
Energy: 0.2937399328228205
Energy: 0.2940795518764414
Energy: 0.3834729217029318
Energy: 0.2876254007924543
Energy: 0.3631843035229332
Energy: 0.2876254007930603
Energy: 0.3304638995848801
Energy: 0.2958272948815594
Energy: 0.3482764906388145
Energy: 0.2958272948815594
Energy: 0.3029339820074167
Energy: 0.28729386412822855
Energy: 0.3527863777964721
Energy: 0.2872938641276225
Energy: 0.2973203157043388
Energy: 0.2909076267346211
Energy: 0.36456210606792355
Energy: 0.29090762673401505
Energy: 0.2972052273481012
Energy: 0.2965038692364251
Energy: 0.3203695121763011
Energy: 0.2965038692364251
Energy: 0.3565765072159905
Energy: 0.29181533816844996
Energy: 0.32824183085359915
Energy: 0.291815338169056
Energy: 0.3575377224810612
Energy: 0.2918871810271107
Energy: 0.348581532921367
Energy: 0.2918871810265047
Energy: 0.3542319474703679
Energy: 0.2972129069347263
Energy: 0.31469639516840275
Energy: 0.2972129069347263
Energy: 0.3553253414353316
Energy: 0.31962043217897046
Energy: 0.35859053095368104
Energy: 0.31962043217957653
Energy: 0.34926714191018343
Energy: 0.304073141253623
Energy: 0.3093823344949351
Energy: 0.304073141253623
Energy: 0.35552037827211136
Energy: 0.28741544043925243
Energy: 0.2943666440624717
Energy: 0.28741544043925243
Energy: 0.38803881619020053
Energy: 0.29100346994873927
Energy: 0.29821702181969895
Energy: 0.29100346994934534
Energy: 0.39116839720645635
Energy: 0.2879177339961119
Energy: 0.3314059771785615
Energy: 0.28791773399671794
Energy: 0.2828523634828202
Energy: 0.2918305522490452
Energy: 0.34994153351614865
Energy: 0.29183055225146937
Energy: 0.27676578078147945
Energy: 0.2869772138512176
Energy: 0.3261938164273856
Energy: 0.2869772138518237
Energy: 0.2806625803284233
Energy: 0.28886835708731706
Energy: 0.32310554802619257
Energy: 0.28886835708731706
Energy: 0.30697180928690504
Energy: 0.2971133068820941
Energy: 0.3836751180632237
Energy: 0.2971133068820941
Energy: 0.3470319317984847
Energy: 0.29600929629198736
Energy: 0.3299125712387214
Energy: 0.2960092962913814
Energy: 0.3542716211507967
Energy: 0.28886870154444166
Energy: 0.2937080631445069
Energy: 0.28886870154444166
Energy: 0.36279105571909176
Energy: 0.2878812082008666
Energy: 0.29512175733295926
Energy: 0.28788120820207863
Energy: 0.3199053238593181
Energy: 0.2970794012964259
Energy: 0.3108469100685126
Energy: 0.297079401297638

minimum gb energy = 0.27648145690778675 eV
minimum distance =  2.58352403482033 Angstroms
sigma value = 1


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

Energy: 0.49256950142581596
Energy: 0.2815428532508592
Energy: 0.33996270525346356
Energy: 0.258701500165347
Energy: 0.28672265968325394
Energy: 0.2780213063440455
Energy: 0.349651789039505
Energy: 0.2780213063457214
Energy: 0.34910190700117466
Energy: 0.2783500495471462
Energy: 0.3496316665864052
Energy: 0.27835004954630826
Energy: 0.29472684243669434
Energy: 0.2843598861019964
Energy: 0.35683233652985513
Energy: 0.28435988610115837
Energy: 0.2994732694478754
Energy: 0.27582148572919835
Energy: 0.3502934871610981
Energy: 0.2758214857283603
Energy: 0.2766912567242675
Energy: 0.27690203900397053
Energy: 0.34966646922663835
Energy: 0.27690203900480853
Energy: 0.2722213630402021
Energy: 0.28220523192402974
Energy: 0.3572184800808505
Energy: 0.2822052319257056
Energy: 0.272016011052132
Energy: 0.2834947541291928
Energy: 0.39313929037038886
Energy: 0.28349475413003083
Energy: 0.3530911885630971
Energy: 0.27906706279886345
Energy: 0.39606268462254207
Energy: 0.27906706279718757
Energy: 0.34602992497871743
Energy: 0.2712807902829504
Energy: 0.27296333660962646
Energy: 0.2712807902854642
Energy: 0.3541379281465576
Energy: 0.280715707084324
Energy: 0.27463979711865816
Energy: 0.2807157070834861
Energy: 0.3911840795399133
Energy: 0.29430333059149605
Energy: 0.2769005551519229
Energy: 0.29430333059149605
Energy: 0.3909323624164164
Energy: 0.2721202657176374
Energy: 0.29862628600440466
Energy: 0.27212026571596154
Energy: 0.2906239373506498
Energy: 0.2848684057844369
Energy: 0.35025638370976314
Energy: 0.2848684057844369
Energy: 0.2947419496017034
Energy: 0.27813219969061564
Energy: 0.35343646918916466
Energy: 0.27813219969061564
Energy: 0.29620243318046935
Energy: 0.2853528002814056
Energy: 0.2910004872529268
Energy: 0.2853528002805677
Energy: 0.28411975956128616
Energy: 0.2805828195661981
Energy: 0.34975126325876416
Energy: 0.28058281956787406
Energy: 0.2734190646356379
Energy: 0.2794724467865432
Energy: 0.3506261650624232
Energy: 0.27947244678738115
Energy: 0.2755380019229714
Energy: 0.2794663583748903
Energy: 0.39500835783275534
Energy: 0.2794663583748903
Energy: 0.29278907254258013
Energy: 0.28508465861201165
Energy: 0.3938614786077238
Energy: 0.2850846586136876
Energy: 0.3467851594616362
Energy: 0.2750489559679908
Energy: 0.35700987318556543
Energy: 0.2750489559679908
Energy: 0.34882666171827537
Energy: 0.27121689238049496
Energy: 0.2741294747435809
Energy: 0.2712168923813329
Energy: 0.2872543044043217
Energy: 0.28499056209274654
Energy: 0.2714246364745331
Energy: 0.2849905620919086
Energy: 0.3908029829295423
Energy: 0.2720899323710258
Energy: 0.28077431542632253
Energy: 0.2720899323718637

minimum gb energy = 0.258701500165347 eV
minimum distance =  2.59585621497616 Angstroms
sigma value = 17


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

Energy: 0.5384395795916352
Energy: 0.2945658366417793
Energy: 0.35415821792130303
Energy: 0.2943675463816517
Energy: 0.30184850174346073
Energy: 0.2842598990475992
Energy: 0.33338767594524055
Energy: 0.2842598990470812
Energy: 0.3640942903544674
Energy: 0.28373826710606675
Energy: 0.33540955111444004
Energy: 0.2837382671065846
Energy: 0.37012104829149806
Energy: 0.29115889655536
Energy: 0.34195693575709835
Energy: 0.29115889655432414
Energy: 0.32433946334291563
Energy: 0.2956000164986022
Energy: 0.3866918232425798
Energy: 0.2956000165011918
Energy: 0.27541701120719436
Energy: 0.29068282783658445
Energy: 0.34152523099501914
Energy: 0.29068282783606664
Energy: 0.26848173175138274
Energy: 0.29209291445089697
Energy: 0.34204445293680585
Energy: 0.292092914450379
Energy: 0.274129364846414
Energy: 0.2877717308162853
Energy: 0.31828013826025275
Energy: 0.28777173081680324
Energy: 0.36860170780722246
Energy: 0.28426757314221224
Energy: 0.35587281125140835
Energy: 0.2842675731416943
Energy: 0.33573618613340706
Energy: 0.2873713350364099
Energy: 0.3353786194703152
Energy: 0.28737133503537404
Energy: 0.3618734847650947
Energy: 0.28688516610202386
Energy: 0.29997316834202553
Energy: 0.28688516610202386
Energy: 0.34141615479406545
Energy: 0.29607586994474855
Energy: 0.3446473887458252
Energy: 0.2960758699437127
Energy: 0.3725806288504666
Energy: 0.29115010226905624
Energy: 0.2845883627556554
Energy: 0.29115010226853827
Energy: 0.3461694516290257
Energy: 0.29390110928955854
Energy: 0.2829942109946941
Energy: 0.29390110928955854
Energy: 0.368797971770308
Energy: 0.2830878386956054
Energy: 0.2854025522058935
Energy: 0.28308783869612325
Energy: 0.3426916022002166
Energy: 0.28802603173089303
Energy: 0.32181397606930967
Energy: 0.28802603173141095
Energy: 0.28248027691321487
Energy: 0.31180002810101815
Energy: 0.36798520382017813
Energy: 0.3118000280994644
Energy: 0.29032741837519666
Energy: 0.2872942012063193
Energy: 0.380483901658622
Energy: 0.2872942012063193
Energy: 0.28773905951992107
Energy: 0.28554549426102716
Energy: 0.3438217078040076
Energy: 0.28554549426102716
Energy: 0.29475456581819576
Energy: 0.2871176907503935
Energy: 0.3959543802837568
Energy: 0.28711769074625015
Energy: 0.33318294859922015
Energy: 0.2900807011745184
Energy: 0.28821275592986495
Energy: 0.2900807011740005
Energy: 0.33371609851345524
Energy: 0.2832211519408768
Energy: 0.36511422701158935
Energy: 0.2832211519408768
Energy: 0.3406212461261241
Energy: 0.2903668163695579
Energy: 0.3700953672550748
Energy: 0.2903668163711117
Energy: 0.3892086681409834
Energy: 0.2866896474567556
Energy: 0.3219967476566005
Energy: 0.28668964745882736
Energy: 0.34004498462522353
Energy: 0.2851844051603467
Energy: 0.2798289400878077
Energy: 0.28518440515931087
Energy: 0.3240256553200107
Energy: 0.2825356293445927
Energy: 0.27130759045691
Energy: 0.2825356293445927
Energy: 0.39509509912113144
Energy: 0.2872457728280486
Energy: 0.2773861936733759
Energy: 0.2872457728264948
Energy: 0.3534328908405966
Energy: 0.2831273716138884
Energy: 0.38642255264691777
Energy: 0.28312737161544216
Energy: 0.3348520824107999
Energy: 0.2865138161218895
Energy: 0.3359768238007288
Energy: 0.28651381612085364
Energy: 0.2975564888916438
Energy: 0.2916959300742429
Energy: 0.3477145822380023
Energy: 0.29169593007268907
Energy: 0.3470191619143046
Energy: 0.2922360772280121
Energy: 0.3430610630561668
Energy: 0.29223607722904793
Energy: 0.298306452520497
Energy: 0.2870893698785997
Energy: 0.36667708513588426
Energy: 0.2870893698796355
Energy: 0.2830401894135934
Energy: 0.29150387376176473
Energy: 0.34655401987612033
Energy: 0.29150387376124676
Energy: 0.28647799761117576
Energy: 0.2845391114021534
Energy: 0.36862574609439985
Energy: 0.2845391114021534
Energy: 0.29827678528002854
Energy: 0.28776031286850295
Energy: 0.3453849098383417
Energy: 0.28776031286850295
Energy: 0.36924088425290913
Energy: 0.28790323188710903
Energy: 0.28279663790541687
Energy: 0.28790323188659106
Energy: 0.3505706076571877
Energy: 0.28818576305726407
Energy: 0.28676971801096934
Energy: 0.2881857630567462
Energy: 0.3440088466348162
Energy: 0.2951784759112084
Energy: 0.2959210327539399
Energy: 0.29517847591069046

minimum gb energy = 0.26848173175138274 eV
minimum distance =  2.52655863810672 Angstroms
sigma value = 89


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

Energy: 0.5713902762827889
Energy: 0.34288695222207616
Energy: 0.332977518930721
Energy: 0.274227177271994
Energy: 0.28981401816080377
Energy: 0.268345835263954
Energy: 0.29098839431274526
Energy: 0.268345835263954
Energy: 0.25675154679215556
Energy: 0.26277288425540973
Energy: 0.28998794492857116
Energy: 0.26277288425676487
Energy: 0.256471321965235
Energy: 0.267287746686132
Energy: 0.2902848790314782
Energy: 0.267287746686132
Energy: 0.2767536393907509
Energy: 0.27032923282391286
Energy: 0.28880740468194
Energy: 0.27032923282391286
Energy: 0.2611387604548712
Energy: 0.2679072155093904
Energy: 0.28738411318249774
Energy: 0.2679072155093904
Energy: 0.2598959910919158
Energy: 0.26837024472097154
Energy: 0.2903371800937628
Energy: 0.26837024472097154
Energy: 0.2610445812936309
Energy: 0.2699927239296542
Energy: 0.25698127814542554
Energy: 0.2699927239296542
Energy: 0.29031079425993234
Energy: 0.2686144030708856
Energy: 0.25775491307984444
Energy: 0.2686144030708856
Energy: 0.29011258439025167
Energy: 0.26224733411210804
Energy: 0.2896021669430399
Energy: 0.26224733411210804
Energy: 0.2911532336253435
Energy: 0.26162019942979464
Energy: 0.2560579124236996
Energy: 0.26162019942979464
Energy: 0.2865958652223748
Energy: 0.2685040661620213
Energy: 0.2909460470591182
Energy: 0.2685040661620213
Energy: 0.2877942082058501
Energy: 0.27029216130772155
Energy: 0.2647621378020271
Energy: 0.27029216130772155
Energy: 0.2897147334590629
Energy: 0.2679609924654326
Energy: 0.2586698512441385
Energy: 0.2679609924654326
Energy: 0.2571173795265244
Energy: 0.26867989235785467
Energy: 0.2601845787417846
Energy: 0.26867989235785467

minimum gb energy = 0.2560579124236996 eV
minimum distance =  2.5774747128501 Angstroms
sigma value = 13


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

Energy: 0.5082061660433645
Energy: 0.2810785043718887
Energy: 0.34528108881132147
Energy: 0.2941688458864584
Energy: 0.34394548816268833
Energy: 0.2790716522079522
Energy: 0.3268273428912549
Energy: 0.27907165220681623
Energy: 0.3346053248675638
Energy: 0.2667475699110311
Energy: 0.3162045342642206
Energy: 0.2667475699098951
Energy: 0.3548893329984091
Energy: 0.26635179550247345
Energy: 0.34744316179941354
Energy: 0.2663517955019054
Energy: 0.34975835337190075
Energy: 0.26977460189726676
Energy: 0.3847548846364661
Energy: 0.2697746018966988
Energy: 0.3176841494345619
Energy: 0.26721540721090653
Energy: 0.3433241580133279
Energy: 0.26721540721204257
Energy: 0.31555004204238946
Energy: 0.2698047430013431
Energy: 0.34545901711436205
Energy: 0.2698047430013431
Energy: 0.30689755832127946
Energy: 0.26925921872237285
Energy: 0.32998506017939416
Energy: 0.26925921872010083
Energy: 0.280392373391701
Energy: 0.2803560788006415
Energy: 0.329908861602662
Energy: 0.2803560788000735
Energy: 0.27314633878571204
Energy: 0.26686109835605004
Energy: 0.35263192186358266
Energy: 0.26686109835605004
Energy: 0.2695509770812886
Energy: 0.27043874912987403
Energy: 0.5096437662449732
Energy: 0.270438749127602
Energy: 0.3463321870297125
Energy: 0.26674152789394784
Energy: 0.3524987957101818
Energy: 0.2667415278916758
Energy: 0.38283477214122624
Energy: 0.26705149878684625
Energy: 0.3795384244564252
Energy: 0.26705149878741424
Energy: 0.3464226471893591
Energy: 0.2723536290784015
Energy: 0.3557839274396355
Energy: 0.27235362907726546
Energy: 0.3302031290873842
Energy: 0.26905358921956185
Energy: 0.33247241547761475
Energy: 0.26905358921842587
Energy: 0.3306370542750723
Energy: 0.2856009485111376
Energy: 0.2745790442565257
Energy: 0.2856009485117056
Energy: 0.34493550132884254
Energy: 0.2799751779019026
Energy: 0.2749560900359234
Energy: 0.2799751779007666
Energy: 0.3303233036538705
Energy: 0.26908197482387386
Energy: 0.27476484104541754
Energy: 0.2690819748278499
Energy: 0.35103783958570983
Energy: 0.2694616960780165
Energy: 0.3257216103410979
Energy: 0.2694616960780165
Energy: 0.35359390373179905
Energy: 0.2676109361139843
Energy: 0.31947710714134697
Energy: 0.2676109361111443
Energy: 0.381085104290817
Energy: 0.26884699149340724
Energy: 0.31492096253549756
Energy: 0.26884699149511126
Energy: 0.3524578413218837
Energy: 0.26768116178282464
Energy: 0.3844834631809561
Energy: 0.26768116178509666
Energy: 0.31822527206320467
Energy: 0.2695151059284115
Energy: 0.34500750411430936
Energy: 0.26951510592784345
Energy: 0.27293162313653113
Energy: 0.29142394103932145
Energy: 0.34778574366697385
Energy: 0.29142394103875346
Energy: 0.3062923479516361
Energy: 0.27953502808219927
Energy: 0.3558025836802309
Energy: 0.27953502808333525
Energy: 0.2814473992024232
Energy: 0.2715667751209512
Energy: 0.3300078843088544
Energy: 0.2715667751232232
Energy: 0.26850933463054516
Energy: 0.27938835186955424
Energy: 0.3496435094656644
Energy: 0.27938835187125827
Energy: 0.2702285292977077
Energy: 0.26744958350503684
Energy: 0.32998445761403156
Energy: 0.2674495835039008
Energy: 0.33506381492422493
Energy: 0.2676177947373757
Energy: 0.3513863828599131
Energy: 0.2676177947385117
Energy: 0.3178411401910748
Energy: 0.26890379238503404
Energy: 0.3440403222512215
Energy: 0.2689037923878741
Energy: 0.3438724553147236
Energy: 0.26713898724426555
Energy: 0.38158100766044734
Energy: 0.26713898724369756
Energy: 0.330154328469484
Energy: 0.2847013256608597
Energy: 0.3342464369134584
Energy: 0.2847013256608597
Energy: 0.3306872353448399
Energy: 0.26939917240362415
Energy: 0.27475182405868653
Energy: 0.2693991724081424
Energy: 0.34751622594786385
Energy: 0.27870659323479857
Energy: 0.2679257424397548
Energy: 0.2787065932365025
Energy: 0.35137822245966077
Energy: 0.279286479829429
Energy: 0.27065021718547105
Energy: 0.27928647982886096

minimum gb energy = 0.2663517955019054 eV
minimum distance =  2.54964371538152 Angstroms
sigma value = 37


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

Energy: 0.4353431976714576
Energy: 0.2571123027665885
Energy: 0.259154843541167
Energy: 0.2966606603092168
Energy: 0.36511918325743525
Energy: 0.2607451249319931
Energy: 0.3199472198681624
Energy: 0.26074512493101587
Energy: 0.37886347742381193
Energy: 0.24770998073542175
Energy: 0.3281743071388333
Energy: 0.24770998073542175
Energy: 0.36719984371740205
Energy: 0.2483030795876552
Energy: 0.3635206759724809
Energy: 0.2483030795876552
Energy: 0.3658890685571736
Energy: 0.24826456073204575
Energy: 0.3230138133607553
Energy: 0.24826456073204575
Energy: 0.30106892009298314
Energy: 0.24739586973607944
Energy: 0.3654527439183703
Energy: 0.24739586973607944
Energy: 0.25886687934283176
Energy: 0.25163304763041805
Energy: 0.36564359916634065
Energy: 0.25163304763041805
Energy: 0.3113277908227692
Energy: 0.2485702348290899
Energy: 0.3138313617530274
Energy: 0.2485702348290899
Energy: 0.2597224248258298
Energy: 0.25758787298014485
Energy: 0.37470503158655993
Energy: 0.25758787298014485
Energy: 0.2603708482950981
Energy: 0.26201985455709714
Energy: 0.3566605994584347
Energy: 0.26201985456098387
Energy: 0.25915484352457635
Energy: 0.257112302755839
Energy: 0.4353431976714576
Energy: 0.2571123027538845
Energy: 0.31994721986718516
Energy: 0.2607451249319931
Energy: 0.3574900207753976
Energy: 0.2607451249319931
Energy: 0.3281743071388333
Energy: 0.24770998073542175
Energy: 0.37886347742478915
Energy: 0.24770998073639897
Energy: 0.3635206759724809
Energy: 0.24830307958667797
Energy: 0.36719984371544767
Energy: 0.24830307958667797
Energy: 0.3230138133617325
Energy: 0.24826456073204575
Energy: 0.3658890685571736
Energy: 0.24826456073204575
Energy: 0.35588181065548113
Energy: 0.24739586973607944
Energy: 0.31858964874888507
Energy: 0.24739586973607944
Energy: 0.36564359916634065
Energy: 0.25163304763041805
Energy: 0.25886687934185454
Energy: 0.25163304763041805
Energy: 0.3138313617510729
Energy: 0.2485702348290899
Energy: 0.3113277908227692
Energy: 0.24857023483006713
Energy: 0.37470503158655993
Energy: 0.2575878729811221
Energy: 0.259722424826807
Energy: 0.25758787298014485
Energy: 0.36576425207885216
Energy: 0.2620198545580744
Energy: 0.2603708482960753
Energy: 0.2620198545580744

minimum gb energy = 0.24739586973607944 eV
minimum distance =  2.56350849760255 Angstroms
sigma value = 25


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

Energy: 0.5877866563654628
Energy: 0.24976377903814526
Energy: 0.24928528630645083
Energy: 0.2726448885071939
Energy: 0.3911454474934442
Energy: 0.2518530537535464
Energy: 0.2957477576637478
Energy: 0.25185305375278333
Energy: 0.3976855707603948
Energy: 0.2584916815846689
Energy: 0.30588699088765814
Energy: 0.2584916815846689
Energy: 0.367280495631201
Energy: 0.25456529961459773
Energy: 0.36376465047049455
Energy: 0.2545652996138347
Energy: 0.36569411849609296
Energy: 0.2466679064115945
Energy: 0.363513321095577
Energy: 0.2466679064115945
Energy: 0.3755361173223302
Energy: 0.2456912415351922
Energy: 0.3818939823466553
Energy: 0.24569124153595526
Energy: 0.3705724655986056
Energy: 0.2434882247658869
Energy: 0.35215455702572085
Energy: 0.24348822476512383
Energy: 0.36121793576235106
Energy: 0.2562708772233743
Energy: 0.37482055650367174
Energy: 0.2562708772233743
Energy: 0.30544552625686394
Energy: 0.25022159245477765
Energy: 0.3514247263031308
Energy: 0.2502215924555407
Energy: 0.2963990699604202
Energy: 0.2421134204283935
Energy: 0.35180954080664606
Energy: 0.24211342042763043
Energy: 0.26909502571263544
Energy: 0.24781569877580448
Energy: 0.495520149049875
Energy: 0.24781569877580448
Energy: 0.2706559438585635
Energy: 0.24136101368435123
Energy: 0.35039207139037004
Energy: 0.24136101368511434
Energy: 0.2700713665780434
Energy: 0.2509160972637339
Energy: 0.3504654823657389
Energy: 0.250916097264497
Energy: 0.3169211112195561
Energy: 0.2516991591903591
Energy: 0.35017472537661387
Energy: 0.25169915918883295
Energy: 0.3180808487716815
Energy: 0.23636549367113668
Energy: 0.35037121615350525
Energy: 0.23636549367037357
Energy: 0.32567142018354195
Energy: 0.2470410637976398
Energy: 0.3981491614007107
Energy: 0.2470410637984029
Energy: 0.3753908021372153
Energy: 0.23650387277400978
Energy: 0.3989988533021029
Energy: 0.23650387277400978
Energy: 0.3344592631095531
Energy: 0.24786047343614878
Energy: 0.34761428017481216
Energy: 0.2478604734376749
Energy: 0.3867995221577592
Energy: 0.24430448254411136
Energy: 0.371636842546777
Energy: 0.2443044825433483
Energy: 0.3666324670808242
Energy: 0.2430681172040004
Energy: 0.3694389222147456
Energy: 0.2430681172040004
Energy: 0.49781869026011927
Energy: 0.2564992743505672
Energy: 0.30514825997914924
Energy: 0.2564992743505672
Energy: 0.39111838085786577
Energy: 0.250281855597132
Energy: 0.27383086866574513
Energy: 0.2502818555963689
Energy: 0.369154396634262
Energy: 0.25393087618738885
Energy: 0.2977759397554781
Energy: 0.25393087618815197
Energy: 0.3749925845627488
Energy: 0.2597608778639595
Energy: 0.24731589155624412
Energy: 0.25976087785175017
Energy: 0.36555506459892495
Energy: 0.258028736804699
Energy: 0.24604321365382725
Energy: 0.258028736804699
Energy: 0.37359811504517515
Energy: 0.25171958172737335
Energy: 0.2452744565633713
Energy: 0.25171958172813647

minimum gb energy = 0.23636549367037357 eV
minimum distance =  2.58397859481388 Angstroms
sigma value = 41


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

Energy: 0.6063097626119497
Energy: 0.2295202993429142
Energy: 0.2291057174808418
Energy: 0.24487013269209673
Energy: 0.406379862153486
Energy: 0.2323997334406602
Energy: 0.27180229753898727
Energy: 0.2323997334400346
Energy: 0.3962642982638315
Energy: 0.2468973118846959
Energy: 0.28199721307724007
Energy: 0.2468973118859471
Energy: 0.3951526445504492
Energy: 0.2436796569461296
Energy: 0.36000839177847577
Energy: 0.2436796569461296
Energy: 0.3962152584455955
Energy: 0.24867552225727166
Energy: 0.3599472786596832
Energy: 0.24867552225852285
Energy: 0.39844163516170067
Energy: 0.23646313241998024
Energy: 0.3630191809415432
Energy: 0.23646313242060582
Energy: 0.39544054003080664
Energy: 0.23178515084711876
Energy: 0.4148543205169032
Energy: 0.23178515084649315
Energy: 0.39809064305314945
Energy: 0.23855807614712404
Energy: 0.363166667193117
Energy: 0.23855807614712404
Energy: 0.32021201228983487
Energy: 0.23641619292460406
Energy: 0.4182445845154291
Energy: 0.23641619292397845
Energy: 0.3196153812672772
Energy: 0.24162436901289605
Energy: 0.40655443889607285
Energy: 0.24162436901164483
Energy: 0.27156904513121405
Energy: 0.237040536554618
Energy: 0.39876861079589554
Energy: 0.237040536554618
Energy: 0.2810443370287924
Energy: 0.23922802530629925
Energy: 0.4063459282667992
Energy: 0.23922802530629925
Energy: 0.2736424870146469
Energy: 0.23745253887157458
Energy: 0.4054314908461119
Energy: 0.237452538870949
Energy: 0.22521553285809037
Energy: 0.23750224434919792
Energy: 0.4013199238931882
Energy: 0.23750224434919792
Energy: 0.22895243871264823
Energy: 0.23566546148579917
Energy: 0.39561340602909295
Energy: 0.2356654614851736
Energy: 0.23340059443099614
Energy: 0.23194443185291774
Energy: 0.38964296998140013
Energy: 0.23194443185354335
Energy: 0.27099728282142943
Energy: 0.2344641364332054
Energy: 0.40273072133742727
Energy: 0.23446413642072175
Energy: 0.28015738308886606
Energy: 0.2446578297903568
Energy: 0.39968158401688886
Energy: 0.244657829791608
Energy: 0.27159822738495387
Energy: 0.2403127324730736
Energy: 0.39927341023741236
Energy: 0.24031273247369922
Energy: 0.35558160027589675
Energy: 0.24110437065501247
Energy: 0.39890054225645
Energy: 0.24110437065501247
Energy: 0.3669690450843633
Energy: 0.23748369685962958
Energy: 0.40722000324089214
Energy: 0.23748369685962958
Energy: 0.35525745632184574
Energy: 0.2309579839595218
Energy: 0.3985577520658919
Energy: 0.2309579839595218
Energy: 0.3944652844583574
Energy: 0.2422250091778479
Energy: 0.3965188160371249
Energy: 0.2422250091790991
Energy: 0.36490645232223634
Energy: 0.23141615871848636
Energy: 0.3593746384043522
Energy: 0.23141615871848636
Energy: 0.40273000855314617
Energy: 0.23159497149476746
Energy: 0.3340053334530013
Energy: 0.23159497149414185
Energy: 0.40030321987484596
Energy: 0.2391623410223243
Energy: 0.3552323021485142
Energy: 0.23916234102294995
Energy: 0.388678464614462
Energy: 0.24055977002065215
Energy: 0.2776022538264551
Energy: 0.24055977002002657
Energy: 0.3998553695797642
Energy: 0.24343555888997484
Energy: 0.28383537995291797
Energy: 0.24343555889060045
Energy: 0.3990876675057589
Energy: 0.23445449855216208
Energy: 0.2742592723244877
Energy: 0.23445449855153647
Energy: 0.4012718642830164
Energy: 0.2315472609414495
Energy: 0.22570152046175124
Energy: 0.2315472609414495
Energy: 0.4049010145396574
Energy: 0.2364149075956227
Energy: 0.2297992402480712
Energy: 0.23641490759621991
Energy: 0.40013672861576716
Energy: 0.22782416244261763
Energy: 0.2262730984705277
Energy: 0.22782416208681985

minimum gb energy = 0.22521553285809037 eV
minimum distance =  2.5732800456877 Angstroms
sigma value = 15


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

Energy: 0.5226569391777545
Energy: 0.22595650887988689
Energy: 0.22268688436390377
Energy: 0.23532863732027237
Energy: 0.4375497006014306
Energy: 0.2212665078721562
Energy: 0.25574850588522285
Energy: 0.22126650787162624
Energy: 0.4135496025271714
Energy: 0.23380409735593868
Energy: 0.2548717461542749
Energy: 0.23380409735593868
Energy: 0.4126380533376404
Energy: 0.22257881765868023
Energy: 0.34151548641667906
Energy: 0.22257881765815027
Energy: 0.4170267893588018
Energy: 0.2453390992839405
Energy: 0.33388121744844534
Energy: 0.24533909928606037
Energy: 0.4315682647600644
Energy: 0.24043408846828063
Energy: 0.3363473275989992
Energy: 0.24043408846987055
Energy: 0.3712860852829368
Energy: 0.23120264216100866
Energy: 0.39564673419833346
Energy: 0.2312026421620686
Energy: 0.4273798064648394
Energy: 0.24455216244055922
Energy: 0.33874492593764244
Energy: 0.24455216243949923
Energy: 0.36998160139246505
Energy: 0.23552964968411422
Energy: 0.4007982961160407
Energy: 0.23552964968411422
Energy: 0.37053498165422877
Energy: 0.23495845147814776
Energy: 0.44567089116538305
Energy: 0.23495845147814776
Energy: 0.3335211014011414
Energy: 0.23172297031520817
Energy: 0.39349306225403174
Energy: 0.23172297031467817
Energy: 0.2995217121269969
Energy: 0.23992799913318522
Energy: 0.4305309070293383
Energy: 0.23992799913318522
Energy: 0.33771018873264463
Energy: 0.22579881610218916
Energy: 0.41450022502505773
Energy: 0.2257988161027191
Energy: 0.2580643666009527
Energy: 0.22413092983641744
Energy: 0.4052052001197571
Energy: 0.2241309298369474
Energy: 0.26626789366134385
Energy: 0.2330055140439759
Energy: 0.41641312792553037
Energy: 0.2330055140434459
Energy: 0.26335382648088407
Energy: 0.2217589962709944
Energy: 0.425435582714083
Energy: 0.2217589962709944
Energy: 0.21789086574468142
Energy: 0.22317640744810305
Energy: 0.41521606671113304
Energy: 0.223176407448633
Energy: 0.22395786727749198
Energy: 0.2250984198349558
Energy: 0.4179498067724603
Energy: 0.22509841983601572
Energy: 0.21643968977493128
Energy: 0.22237837131758192
Energy: 0.3992032330904068
Energy: 0.2223783713181119
Energy: 0.2676255162694375
Energy: 0.22182824069351484
Energy: 0.41312871857046385
Energy: 0.22182824069351484
Energy: 0.2654806777038758
Energy: 0.22019266964216944
Energy: 0.4167320704519027
Energy: 0.22019266964110948
Energy: 0.25884662867049035
Energy: 0.22372912060020095
Energy: 0.41415599925324026
Energy: 0.22372912059967098
Energy: 0.33425003918036206
Energy: 0.22705373718960256
Energy: 0.4282843383817156
Energy: 0.22705373719013253
Energy: 0.3398313966185237
Energy: 0.2396935431790189
Energy: 0.4306097629404967
Energy: 0.23969354317689898
Energy: 0.3335043247035533
Energy: 0.2321117081013039
Energy: 0.4043336968381813
Energy: 0.23211170810077394
Energy: 0.40152653207079864
Energy: 0.24434218995337095
Energy: 0.43214262444301793
Energy: 0.24434218995337095
Energy: 0.3370193506140353
Energy: 0.23610045156123716
Energy: 0.3967990964576054
Energy: 0.23610045156176715
Energy: 0.4074003478921891
Energy: 0.23838197661761876
Energy: 0.3766249074355797
Energy: 0.2383819766186787
Energy: 0.40574761445884555
Energy: 0.23695574939760825
Energy: 0.39694240595590763
Energy: 0.23695574939813824
Energy: 0.3994637603597195
Energy: 0.23564298575788858
Energy: 0.33537890789773545
Energy: 0.23564298575841855
Energy: 0.41693609473413756
Energy: 0.2349866311054164
Energy: 0.29917194149231313
Energy: 0.2349866311054164
Energy: 0.4059101291913246
Energy: 0.22327830355813683
Energy: 0.34045727114704977
Energy: 0.2232783035565469
Energy: 0.4146108780003629
Energy: 0.2260421464039241
Energy: 0.2639600790894583
Energy: 0.22604214640445405
Energy: 0.41694480622042496
Energy: 0.2210951349018758
Energy: 0.256395057394813
Energy: 0.2210951349018758
Energy: 0.4140606599973946
Energy: 0.22017025373620794
Energy: 0.2325304555588314
Energy: 0.22017025373938776
Energy: 0.4294079879201452
Energy: 0.22127873002698076
Energy: 0.21666863804849132
Energy: 0.22127873002751075
Energy: 0.43321917862519466
Energy: 0.2211790257801121
Energy: 0.22370176938272018
Energy: 0.22117902578064202

minimum gb energy = 0.21643968977493128 eV
minimum distance =  2.57594029396379 Angstroms
sigma value = 85


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

Energy: 0.559129990637988
Energy: 0.20105086973655545
Energy: 0.2013457433231532
Energy: 0.23074291725725918
Energy: 0.4270856230022061
Energy: 0.2021743071861319
Energy: 0.23214718467049542
Energy: 0.2021743071865916
Energy: 0.42535090370434686
Energy: 0.1971652968633396
Energy: 0.23153208934691033
Energy: 0.1971652968633396
Energy: 0.38836576819258395
Energy: 0.20537878622327774
Energy: 0.29795299075828124
Energy: 0.2053787862237374
Energy: 0.4265518211678977
Energy: 0.2063441900270283
Energy: 0.30122236041893796
Energy: 0.2063441900270283
Energy: 0.3897210747059696
Energy: 0.2061369750766443
Energy: 0.3048707045228764
Energy: 0.20613697507618464
Energy: 0.38817488292011476
Energy: 0.20630388779947062
Energy: 0.36445227697000626
Energy: 0.20630388779947062
Energy: 0.4103497704594006
Energy: 0.21881670489708513
Energy: 0.2990088167456616
Energy: 0.21881670489936247
Energy: 0.3891165266001812
Energy: 0.22808747245735417
Energy: 0.3622879438734365
Energy: 0.2280874724578138
Energy: 0.3897442314299287
Energy: 0.22868712196150792
Energy: 0.41203351156297424
Energy: 0.22868712196150792
Energy: 0.36218856571979974
Energy: 0.2056920554269064
Energy: 0.3754209283747521
Energy: 0.20569205542644675
Energy: 0.332715940908136
Energy: 0.22802127257036128
Energy: 0.41237619584160307
Energy: 0.228021272569442
Energy: 0.3634705414526456
Energy: 0.21771591314674196
Energy: 0.41033223629132515
Energy: 0.2177159131462823
Energy: 0.30063210769169924
Energy: 0.20631789151378754
Energy: 0.36078869372848493
Energy: 0.20631789151470684
Energy: 0.27511492280498934
Energy: 0.20597616743833114
Energy: 0.42754330873413804
Energy: 0.20597616743833114
Energy: 0.29924133033598727
Energy: 0.2061471463763858
Energy: 0.4064940193814714
Energy: 0.20614714637684542
Energy: 0.23218076711365304
Energy: 0.2053340170236299
Energy: 0.4083609108738667
Energy: 0.2053340170236299
Energy: 0.239995857897318
Energy: 0.2054086508374853
Energy: 0.4275079923832584
Energy: 0.2054086508374853
Energy: 0.23107688415867234
Energy: 0.2015875051669683
Energy: 0.4357414323007967
Energy: 0.2015875051669683
Energy: 0.1977560900076713
Energy: 0.20057195156896224
Energy: 0.3993743906499421
Energy: 0.2005719515694219
Energy: 0.20068580314474438
Energy: 0.19667964175525476
Energy: 0.426109109952362
Energy: 0.1966796417557144
Energy: 0.19887037913949906
Energy: 0.19723228159911876
Energy: 0.42360524168290475
Energy: 0.19723228159911876
Energy: 0.23225937652304757
Energy: 0.1969652134284891
Energy: 0.42438632910544816
Energy: 0.19696521342802947
Energy: 0.24163887006295764
Energy: 0.19756031335724106
Energy: 0.4265850753369034
Energy: 0.19756031335724106
Energy: 0.2316515689864067
Energy: 0.20624732844755625
Energy: 0.3882550236919804
Energy: 0.20624732844755625
Energy: 0.2996165559103245
Energy: 0.20571769028241305
Energy: 0.42849878007379943
Energy: 0.20571769028241305
Energy: 0.305172069030859
Energy: 0.20636141284446166
Energy: 0.42760492974650316
Energy: 0.20636141284446166
Energy: 0.3645209001310822
Energy: 0.20623572150294123
Energy: 0.38864105700599744
Energy: 0.20623572150294123
Energy: 0.36361674296043694
Energy: 0.2054072851391958
Energy: 0.4289293465768263
Energy: 0.20540728513873613
Energy: 0.36231291750073846
Energy: 0.2276271569549585
Energy: 0.39018375412014605
Energy: 0.2276271569549585
Energy: 0.40746013503137435
Energy: 0.21643171073104117
Energy: 0.33264194381245193
Energy: 0.21643171073104117
Energy: 0.3611869482495866
Energy: 0.22477828544320405
Energy: 0.4076958788667132
Energy: 0.22477828544274442
Energy: 0.41319082226221804
Energy: 0.2283624341533813
Energy: 0.3324946983634112
Energy: 0.22836243415292168
Energy: 0.4281624009158444
Energy: 0.21819707018622644
Energy: 0.33327184119677206
Energy: 0.21819707018530718
Energy: 0.36741345830451055
Energy: 0.20579888632053164
Energy: 0.30090494115902217
Energy: 0.20579888631915275
Energy: 0.42924456470907535
Energy: 0.20651274913405207
Energy: 0.3050608949929427
Energy: 0.20651274913359244
Energy: 0.4259533977269993
Energy: 0.20605777470907466
Energy: 0.3017110516554245
Energy: 0.20605777470907466
Energy: 0.40882248504722357
Energy: 0.2050995695800139
Energy: 0.23264331698540044
Energy: 0.2050995695800139
Energy: 0.42715018594423865
Energy: 0.2059445551009235
Energy: 0.2408248077253683
Energy: 0.2059445551009235
Energy: 0.39959103064309603
Energy: 0.19686926234595264
Energy: 0.23588232430439113
Energy: 0.19686926234549298
Energy: 0.40805817535954364
Energy: 0.1972049398066045
Energy: 0.19732082425270783
Energy: 0.19720493980614487
Energy: 0.4264671189089911
Energy: 0.196616105663253
Energy: 0.20483760968362646
Energy: 0.19661610566279333
Energy: 0.4238941112924133
Energy: 0.20523156446810364
Energy: 0.19733300050328095
Energy: 0.20523156446764398

minimum gb energy = 0.19661610566279333 eV
minimum distance =  2.58282929816518 Angstroms
sigma value = 113


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

Energy: 0.01168116128717666
Energy: 0.17602369360622644
Energy: 0.3794633703395544
Energy: 0.013054643472254494
Energy: 0.2634002471861709
Energy: 0.06182552666301336
Energy: 0.2632658574149641
Energy: 0.06182552666301336
Energy: 0.011957747222166087
Energy: 0.06189661934436335
Energy: 0.2626581506723861
Energy: 0.061896619344009994
Energy: 0.013045318826642425
Energy: 0.061349790050663676
Energy: 0.2617335254956109
Energy: 0.061349790050663676
Energy: 0.26210295121436655
Energy: 0.061243266890638
Energy: 0.26201978828124245
Energy: 0.06124326689132508
Energy: 0.012000910131384995
Energy: 0.06152484803576558
Energy: 0.2620418917977529
Energy: 0.06152484803576558

minimum gb energy = 0.01168116128717666 eV
minimum distance =  2.82667392181103 Angstroms
sigma value = 1