Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700485944747925
cohesive_energy=1.5099470904077228
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.006832188116866512
Energy: 1.257496973974474
Energy: 1.3630824394073728
Energy: 1.2575066238626058
Energy: 0.006832188116866512
Energy: 1.257496973974474
Energy: 0.5723763876745668
Energy: 0.5720603150248796
Energy: 0.14954366169755048
Energy: 1.9420699481941033
Energy: 0.14956408485426262
Energy: 0.5720603150246488
Energy: 0.14954366169755048
Energy: 1.9420699481941033
Energy: 0.006832188116866512
Energy: 1.257496973974474
Energy: 1.5093851482334033
Energy: 1.2575066238626058
Energy: 0.006832188116866512
Energy: 1.257496973974474
Energy: 0.5723763876745668
Energy: 0.5720603150248796
Energy: 0.14954366169779484
Energy: 1.9420699481941033
Energy: 0.14956408485401826
Energy: 0.5720603150246488
Energy: 0.14954366169755048
Energy: 1.9420699481941033
Energy: 0.006832188116866512
Energy: 1.257496973974474
Energy: 0.5723763876747975
Energy: 1.2575066238626058
Energy: 0.006832188116866512
Energy: 1.257496973974474
Energy: 0.5723763876745668
Energy: 0.5720603150248796
Energy: 0.14954366169755048
Energy: 1.9420699481941033
Energy: 0.14956408485401826
Energy: 0.5720603150246488
Energy: 0.14954366169755048
Energy: 1.9420699481941033

minimum gb energy = 0.006832188116866512 eV
minimum distance =  2.59750769022746 Angstroms
sigma value = 5


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

Energy: 1.3691594103044953
Energy: 1.2586986302110144
Energy: 1.2706249325035295
Energy: 1.3265659587503345
Energy: 1.3691594103053708
Energy: 1.258698628908528
Energy: 1.2502121369964638
Energy: 1.3174489393708055
Energy: 1.2707355203836617
Energy: 1.3135250997648305
Energy: 1.2968195230117898
Energy: 1.31744893936993
Energy: 1.27073552038337
Energy: 1.3135250997651222
Energy: 1.2549757091602418
Energy: 1.2800212625554979
Energy: 1.327609721187007
Energy: 1.265833259843507
Energy: 1.25497570915995
Energy: 1.2800212625549139
Energy: 1.327609721187007
Energy: 1.3372326989246535
Energy: 1.291689336341387
Energy: 1.3306391887254694
Energy: 1.2918582289278215
Energy: 1.3372326989234857
Energy: 1.291689336341095
Energy: 1.3306391887248856
Energy: 1.247089213137513
Energy: 1.2387944171005332
Energy: 1.30229369534593
Energy: 1.281047841770904
Energy: 1.2470892131366376
Energy: 1.2387944171011172
Energy: 1.2846842958665157
Energy: 1.2715447032475449
Energy: 1.2877362095506524
Energy: 1.313206198086118
Energy: 1.2503959612751836
Energy: 1.2715447032484206
Energy: 1.2877362095497766
Energy: 1.313206198086118
Energy: 1.2347598372032451
Energy: 1.2916026247337893
Energy: 1.348613941309629
Energy: 1.3219187121648168
Energy: 1.2347598372020774
Energy: 1.2916026247352488
Energy: 1.348613941309337
Energy: 1.2533049846713393
Energy: 1.2307201420896399
Energy: 1.3648452429698132
Energy: 1.231851941600303
Energy: 1.2533049846710473
Energy: 1.2307201420896399
Energy: 1.364845242970689
Energy: 1.223829931836551
Energy: 1.2332033607063497
Energy: 1.3659689410176366
Energy: 1.2618939752411547
Energy: 1.2238299318371348
Energy: 1.233203360705766
Energy: 1.3659689410173448
Energy: 1.254561613376878
Energy: 1.2720811454508845
Energy: 1.3401049094315531
Energy: 1.2762129426444948
Energy: 1.254561613376586
Energy: 1.2720811454520522
Energy: 1.3401049094321367
Energy: 1.2651617156254065
Energy: 1.2629591990897695
Energy: 1.298945927073526
Energy: 1.264637242131921
Energy: 1.265161715623947
Energy: 1.2629591990891855
Energy: 1.2989459270726502
Energy: 1.2913712364406442
Energy: 1.3269458303514334
Energy: 1.2294323480683034
Energy: 1.2569094563733079
Energy: 1.2913712364395031
Energy: 1.326945830352601
Energy: 1.229432348073266
Energy: 1.3544834798818934
Energy: 1.3717814790154288
Energy: 1.3110328499491568
Energy: 1.3231619526744782
Energy: 1.3544834798818934
Energy: 1.3717814790151368
Energy: 1.3110328499488648
Energy: 1.2602964915226689
Energy: 1.2868100525681072
Energy: 1.3340851793591562
Energy: 1.2862180796199294
Energy: 1.2602964915223769
Energy: 1.2868100525692747
Energy: 1.3340851793603237
Energy: 1.2486986326360776
Energy: 1.2713522697709103
Energy: 1.2880200609042072
Energy: 1.2744822296915885
Energy: 1.2486986326360776
Energy: 1.2713522697717863
Energy: 1.2880200609056665
Energy: 1.2918855398974345
Energy: 1.2988790502647753
Energy: 1.2901031418400843
Energy: 1.343172058838633
Energy: 1.2918855398977265
Energy: 1.2988790502650673
Energy: 1.290103141840668
Energy: 1.2815806767674058
Energy: 1.2384369256197805
Energy: 1.3203917347920426
Energy: 1.2939563506179492
Energy: 1.2815806767671136
Energy: 1.2384369256197805
Energy: 1.3203917347932104
Energy: 1.2587979761038095
Energy: 1.277614651697
Energy: 1.3161614141852376
Energy: 1.249510360102707
Energy: 1.2587979761035175
Energy: 1.2776146516958324
Energy: 1.316161414186113
Energy: 1.2539063833361703
Energy: 1.268717245552294
Energy: 1.3665839878477746
Energy: 1.2336917750407277
Energy: 1.2539063833370463
Energy: 1.2687172455514182
Energy: 1.3665839878501098
Energy: 1.2443048287866227
Energy: 1.2404030107221313
Energy: 1.2804770272543953
Energy: 1.2667926917531815
Energy: 1.2443048287869147
Energy: 1.240403010722715
Energy: 1.2804770272541035
Energy: 1.232256784916225
Energy: 1.305984342885359
Energy: 1.3433339307687537
Energy: 1.2481563834396119
Energy: 1.232256784916225
Energy: 1.3059843428847753
Energy: 1.343333930767878
Energy: 1.2318960262465226
Energy: 1.260731008285555
Energy: 1.3638322037107788
Energy: 1.2674863540334231
Energy: 1.2318960262465226
Energy: 1.2607310082870145
Energy: 1.3638322037113626
Energy: 1.2337378474068947
Energy: 1.2512733796793338
Energy: 1.344931015780454
Energy: 1.251413769608265
Energy: 1.2337378474071867
Energy: 1.2512733796787499
Energy: 1.3449310157822054
Energy: 1.293892335443106
Energy: 1.3256167728590262
Energy: 1.3267283948643638
Energy: 1.2958450844302203
Energy: 1.2938923354442735
Energy: 1.3256167728584691
Energy: 1.326728394862904
Energy: 1.2517673608357476
Energy: 1.2978637719665593
Energy: 1.3417741319349954
Energy: 1.2805258448152603
Energy: 1.251767360834872
Energy: 1.2978637719668513
Energy: 1.3417741319355794
Energy: 1.27753503936861
Energy: 1.2832580569865997
Energy: 1.313778902765224
Energy: 1.3014602462079332
Energy: 1.2775350393674425
Energy: 1.2832580569901024
Energy: 1.3137789027643485
Energy: 1.3153374939044578
Energy: 1.2742159004202307
Energy: 1.29921966475255
Energy: 1.2864646880162653
Energy: 1.3153374939044578
Energy: 1.2742159004211064
Energy: 1.299219664752842
Energy: 1.3147725732783746
Energy: 1.3817054312907098
Energy: 1.286593010290084
Energy: 1.3403241489273003
Energy: 1.3147725732804183
Energy: 1.3817054312910015
Energy: 1.286593010290084
Energy: 1.2818153227119098
Energy: 1.2924687678536608
Energy: 1.294749809191981
Energy: 1.254921373460695
Energy: 1.281815322711618
Energy: 1.2924687678551203
Energy: 1.294749809464807
Energy: 1.2706341362731544
Energy: 1.3018636160173145
Energy: 1.3676599642656988
Energy: 1.27721779680295
Energy: 1.270634136272863
Energy: 1.3018636160176065
Energy: 1.3676599642668668
Energy: 1.2732561271458918
Energy: 1.2965505144062943
Energy: 1.34521009989255
Energy: 1.292354091264475
Energy: 1.273256127144724
Energy: 1.2965505144080458
Energy: 1.345210099892842
Energy: 1.2604504389488134
Energy: 1.2791561230032125
Energy: 1.34645362097957
Energy: 1.2592349635751403
Energy: 1.2604504389499813
Energy: 1.279156123002629
Energy: 1.3464536209781106
Energy: 1.2535690663654127
Energy: 1.3164410547072443
Energy: 1.3729122395797142
Energy: 1.2315613411622146
Energy: 1.2535690663651207
Energy: 1.3164410547089958
Energy: 1.3729122395791307
Energy: 1.263773364924161
Energy: 1.2578188193546
Energy: 1.3928633433467876
Energy: 1.2633650794256723
Energy: 1.263773364924161
Energy: 1.2578188193548916
Energy: 1.3928633433459119
Energy: 1.2488100541083154
Energy: 1.2328468194744089
Energy: 1.3260177780303122
Energy: 1.2862054114596833
Energy: 1.2488100541068559
Energy: 1.2328468194752846
Energy: 1.326017778031188
Energy: 1.2498413084280813
Energy: 1.2828064934863914
Energy: 1.3022212554788786
Energy: 1.2763465652343662
Energy: 1.2498413084272322
Energy: 1.2828064934875592
Energy: 1.3022212554791703
Energy: 1.2321196397328067
Energy: 1.2283983342236768
Energy: 1.3666012375810828
Energy: 1.244267499984295
Energy: 1.2321196397328067
Energy: 1.2283983342242606
Energy: 1.3666012375810828
Energy: 1.2606568792574548
Energy: 1.2563407114301155
Energy: 1.3152890559705261
Energy: 1.2710034420130043
Energy: 1.2606568792574548
Energy: 1.2563407114312835
Energy: 1.3152890559705261
Energy: 1.2934163554880864
Energy: 1.328724000101277
Energy: 1.3208546945558386
Energy: 1.3078084812503497
Energy: 1.2934163554880864
Energy: 1.328724000101277
Energy: 1.3208546945558386
Energy: 1.2843628485065426
Energy: 1.3430384983923185
Energy: 1.2789088472322485
Energy: 1.3176230462888379
Energy: 1.284362848507418
Energy: 1.343038498391151
Energy: 1.2789088472328325
Energy: 1.2833833148195473
Energy: 1.2774353281408313
Energy: 1.282194124126065
Energy: 1.306543127766529
Energy: 1.2833833148195473
Energy: 1.277435328141707
Energy: 1.2821941241246055
Energy: 1.2842158377942747
Energy: 1.3075950787538493
Energy: 1.3033806331919853
Energy: 1.2936715062711708
Energy: 1.2842158377925232
Energy: 1.3075950787538493
Energy: 1.303380633191109
Energy: 1.3545650236748774
Energy: 1.3294684713652167
Energy: 1.3039764051353468
Energy: 1.3540776740955165
Energy: 1.3545650236745854
Energy: 1.3294684713658005
Energy: 1.3039764051368063
Energy: 1.2842618378229296
Energy: 1.2774871140906587
Energy: 1.2975495018766572
Energy: 1.2716012431889867
Energy: 1.2842618378240975
Energy: 1.2774871140886155
Energy: 1.2975495018760737
Energy: 1.2215880270515034
Energy: 1.2477972923877345
Energy: 1.3616996058633974
Energy: 1.2325382519000583
Energy: 1.2215880270509196
Energy: 1.2477972923862748
Energy: 1.3616996058639814
Energy: 1.255844516664132
Energy: 1.2872799292927657
Energy: 1.3622223451500586
Energy: 1.3355432532752307
Energy: 1.255844516664424
Energy: 1.2872799292930572
Energy: 1.3622223451497668
Energy: 1.2254548628728048
Energy: 1.2939258103880598
Energy: 1.3520052594233969
Energy: 1.2547082875482607
Energy: 1.2254548628739725
Energy: 1.2939258103871838
Energy: 1.352005259422813

minimum gb energy = 1.2215880270509196 eV
minimum distance =  2.31553191210143 Angstroms
sigma value = 401


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

Energy: 1.3442278583479754
Energy: 1.3342991520971947
Energy: 1.2973742038359273
Energy: 1.361971393793408
Energy: 1.3442278583489695
Energy: 1.3342991518468037
Energy: 1.3111019964045452
Energy: 1.2845397119895288
Energy: 1.3356777383688654
Energy: 1.3066073469526964
Energy: 1.321249503067122
Energy: 1.28453971198986
Energy: 1.3356777383688654
Energy: 1.3066073469507085
Energy: 1.2983406522566576
Energy: 1.3296678008461191
Energy: 1.2853973044257696
Energy: 1.2733278576620672
Energy: 1.298340652256326
Energy: 1.3296678008457878
Energy: 1.2853973044804115
Energy: 1.2898467910432905
Energy: 1.3282953204691306
Energy: 1.2748968004883388
Energy: 1.2973078344614617
Energy: 1.2898467910422964
Energy: 1.3282953204687993
Energy: 1.274896800487676
Energy: 1.2918678611272385
Energy: 1.3199300687413875
Energy: 1.237482214472254
Energy: 1.313732209632125
Energy: 1.2918678611272385
Energy: 1.3199300687417188
Energy: 1.2660291551330851
Energy: 1.2471750303782958
Energy: 1.266921564189124
Energy: 1.2521238769508045
Energy: 1.3162899827361894
Energy: 1.2471750303782958
Energy: 1.266921564189124
Energy: 1.2766182489185247
Energy: 1.2655962189576218
Energy: 1.295772331400176
Energy: 1.4215069441780162
Energy: 1.2901762777722359
Energy: 1.2655962189562964
Energy: 1.295772331400176
Energy: 1.4354857331168944
Energy: 1.2633739662389407
Energy: 1.2990653478168375
Energy: 1.3775224761781655
Energy: 1.2882340231320968
Energy: 1.2633739662386094
Energy: 1.2990653478178316
Energy: 1.3775224761781655
Energy: 1.2471302262983455
Energy: 1.3164832746654667
Energy: 1.338753401995739
Energy: 1.295922652565435
Energy: 1.247130226299008
Energy: 1.3164832746661292
Energy: 1.3436733592592942
Energy: 1.2889331864779987
Energy: 1.3647281471957382
Energy: 1.3894497495594573
Energy: 1.2955567905944876
Energy: 1.2889331864776674
Energy: 1.3647281471960693
Energy: 1.3876500272716756
Energy: 1.3046232622563834
Energy: 1.319330505340891
Energy: 1.3773323879282842
Energy: 1.2928687251186746
Energy: 1.3046232622567147
Energy: 1.319330505340891
Energy: 1.3773323879289467
Energy: 1.3282588712549905
Energy: 1.27645083147231
Energy: 1.4175668948292053
Energy: 1.3168942003721877
Energy: 1.3282588712556533
Energy: 1.2764508314719785
Energy: 1.3991463920709246
Energy: 1.2632153302632112
Energy: 1.3156739394067178
Energy: 1.3649362813625503
Energy: 1.3808286002694976
Energy: 1.2632153302635425
Energy: 1.3156739394063866
Energy: 1.3913673696234958
Energy: 1.2647693456250269
Energy: 1.3342991542397111
Energy: 1.3111019964052077
Energy: 1.361971393793408
Energy: 1.2647693456227076
Energy: 1.3342991536322972
Energy: 1.3111019964045452
Energy: 1.28453971198986
Energy: 1.335677738368534
Energy: 1.3066073469523651
Energy: 1.313965770124349
Energy: 1.2845397119901913
Energy: 1.3356777383688654
Energy: 1.3066073469523651
Energy: 1.2983406522566576
Energy: 1.3296678008464506
Energy: 1.2853973043515787
Energy: 1.2733278576633924
Energy: 1.2983406522566576
Energy: 1.3296678008454568
Energy: 1.2853973044231188
Energy: 1.2898467910449474
Energy: 1.3266876936258982
Energy: 1.2748968004883388
Energy: 1.297307834461793
Energy: 1.2898467910449474
Energy: 1.3266876936255667
Energy: 1.2748968004880075
Energy: 1.2918678611272385
Energy: 1.3030426135206639
Energy: 1.2660291551330851
Energy: 1.313732209632125
Energy: 1.2918678611269072
Energy: 1.303042613520995
Energy: 1.2660291551324225
Energy: 1.2470344746062105
Energy: 1.266921564189124
Energy: 1.2560903643133488
Energy: 1.316289982735858
Energy: 1.2470344746062105
Energy: 1.2669215641887928
Energy: 1.2560903643130175
Energy: 1.2653484099572128
Energy: 1.295772331400176
Energy: 1.4215069441793413
Energy: 1.2901762777725672
Energy: 1.265348409957544
Energy: 1.295772331400176
Energy: 1.4182644232696242
Energy: 1.2671375096775306
Energy: 1.299065347817169
Energy: 1.3553631189664002
Energy: 1.2882447565871755
Energy: 1.2671375096778619
Energy: 1.2990653478178316
Energy: 1.3553631189650746
Energy: 1.2471302262986768
Energy: 1.3164832746657977
Energy: 1.352510717590979
Energy: 1.2959226525657663
Energy: 1.2471302262993393
Energy: 1.3164832746657977
Energy: 1.3436733592592942
Energy: 1.2889331864779987
Energy: 1.3647281471957382
Energy: 1.3876500272710128
Energy: 1.295556790594156
Energy: 1.2889331864776674
Energy: 1.3647281471964006
Energy: 1.3876500272716756
Energy: 1.3046232622560523
Energy: 1.3187166508002466
Energy: 1.3773323879286155
Energy: 1.2928687251186746
Energy: 1.3046232622560523
Energy: 1.3187166508012407
Energy: 1.3773323879289467
Energy: 1.3281174799101176
Energy: 1.27645083147231
Energy: 1.3991463920709246
Energy: 1.3168942003721877
Energy: 1.3281174799094546
Energy: 1.2764508314719785
Energy: 1.3991463920709246
Energy: 1.2882743007318087
Energy: 1.3156739394070494
Energy: 1.3913673696231645
Energy: 1.3808286002694976
Energy: 1.2882743007321402
Energy: 1.3156739394070494
Energy: 1.3913673696238271
Energy: 1.3442278583483067
Energy: 1.334299158644631
Energy: 1.3111019964048765
Energy: 1.361971393793408
Energy: 1.3442278583493008
Energy: 1.334299158196518
Energy: 1.3111019964048765
Energy: 1.2845397119895288
Energy: 1.3356777383688654
Energy: 1.306607346955347
Energy: 1.321249503067122
Energy: 1.2845397119905226
Energy: 1.335677738369197
Energy: 1.3066073469536905
Energy: 1.2983406522566576
Energy: 1.3296678008457878
Energy: 1.2853973044125158
Energy: 1.2733278576630611
Energy: 1.2983406522566576
Energy: 1.3296678008461191
Energy: 1.2853973044045637
Energy: 1.2898467910363325
Energy: 1.3282953204737693
Energy: 1.274896800487676
Energy: 1.2973078344614617
Energy: 1.2898467910363325
Energy: 1.3282953204721126
Energy: 1.274896800487676
Energy: 1.2918678611269072
Energy: 1.3199300687413875
Energy: 1.2660291551337477
Energy: 1.3137322096317936
Energy: 1.2918678611269072
Energy: 1.3199300687420503
Energy: 1.2660291551334164
Energy: 1.2471750303779643
Energy: 1.266921564189124
Energy: 1.2669834268580176
Energy: 1.3162899827355268
Energy: 1.247175030378627
Energy: 1.2669215641887928
Energy: 1.2669834268576863
Energy: 1.2655962189576218
Energy: 1.2957723313998444
Energy: 1.4215069441806667
Energy: 1.2901762777722359
Energy: 1.2655962189566277
Energy: 1.295772331400176
Energy: 1.4215069441806667
Energy: 1.2633739662386094
Energy: 1.299065347817169
Energy: 1.3553631189644122
Energy: 1.2882340231320968
Energy: 1.2633739662386094
Energy: 1.2990653478178316
Energy: 1.3553631189617614
Energy: 1.2471302262986768
Energy: 1.3164832746657977
Energy: 1.3436733592579688
Energy: 1.2959226525657663
Energy: 1.2471302262986768
Energy: 1.3164832746657977
Energy: 1.3436733592592942
Energy: 1.2889331864779987
Energy: 1.3647281471960693
Energy: 1.3876500272710128
Energy: 1.295556790594156
Energy: 1.2889331864776674
Energy: 1.3647281471960693
Energy: 1.3876500272716756
Energy: 1.3046232622567147
Energy: 1.319330505340891
Energy: 1.3773323879282842
Energy: 1.292868725119006
Energy: 1.3046232622563834
Energy: 1.3193305053402282
Energy: 1.3773323879292783
Energy: 1.3282588712549905
Energy: 1.276450831472641
Energy: 1.399146392071256
Energy: 1.3168942003718562
Energy: 1.3282588712553218
Energy: 1.276450831472641
Energy: 1.399146392071256
Energy: 1.2632153302632112
Energy: 1.3156739394070494
Energy: 1.3913673696231645
Energy: 1.380828600269829
Energy: 1.2632153302635425
Energy: 1.3156739394070494
Energy: 1.39136736962449
Energy: 1.2647693456246953
Energy: 1.3342991643826234
Energy: 1.3111019964048765
Energy: 1.361971393793408
Energy: 1.2647693456227076
Energy: 1.3342991625166587
Energy: 1.3111019964048765
Energy: 1.2845397119895288
Energy: 1.335677738368534
Energy: 1.3066073469543533
Energy: 1.313965770124349
Energy: 1.2845397119901913
Energy: 1.3356777383688654
Energy: 1.3066073469530277

minimum gb energy = 1.237482214472254 eV
minimum distance =  2.31936877881028 Angstroms
sigma value = 311


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

Energy: 1.4067327954088433
Energy: 1.3550504636524774
Energy: 1.4807782613513716
Energy: 1.3415996489215112
Energy: 1.4067327954084607
Energy: 1.3550504636524774
Energy: 1.377788744525989
Energy: 1.3603142698289077
Energy: 1.3879789498863735
Energy: 1.3333657129120002
Energy: 1.3223426402544192
Energy: 1.360314269829673
Energy: 1.387978949886756
Energy: 1.3333657129127654
Energy: 1.3926583226045917
Energy: 1.336099157414367
Energy: 1.3796939961972676
Energy: 1.2853102378568466
Energy: 1.3926583226049742
Energy: 1.336099157415515
Energy: 1.409817151676989
Energy: 1.326012445364474
Energy: 1.3201259856748166
Energy: 1.3929761881181728
Energy: 1.266868601748069
Energy: 1.326012445364474
Energy: 1.3201259856748166
Energy: 1.3929761881181728
Energy: 1.356733059649938
Energy: 1.3844596876664312
Energy: 1.4218048265001464
Energy: 1.3580895725923612
Energy: 1.356733059649938
Energy: 1.384459687664518
Energy: 1.3764635142183475
Energy: 1.352053751240945
Energy: 1.310931223047074
Energy: 1.3989808386108946
Energy: 1.262352693914314
Energy: 1.352053751240945
Energy: 1.310931223047074
Energy: 1.3989808386108946
Energy: 1.358413512040471
Energy: 1.4188215382661558
Energy: 1.3683491866989779
Energy: 1.2921039187475951
Energy: 1.3584135120408536
Energy: 1.4188215382665383
Energy: 1.3683491866993605
Energy: 1.333068444526731
Energy: 1.3541769809619253
Energy: 1.456994094223923
Energy: 1.2940708290143486
Energy: 1.3330684445271135
Energy: 1.3541769809615427
Energy: 1.456994094223923
Energy: 1.3316978795724561
Energy: 1.272622487288405
Energy: 1.418727491254492
Energy: 1.340304660070613
Energy: 1.3316978795728391
Energy: 1.2726224872880227
Energy: 1.4354802640913935
Energy: 1.3174998874812915
Energy: 1.2815196587474484
Energy: 1.4046057959127758
Energy: 1.4244581494336739
Energy: 1.317499887481674
Energy: 1.2815196587478312
Energy: 1.404605796098634
Energy: 1.379861981420582
Energy: 1.2707603427578136
Energy: 1.3794857343980882
Energy: 1.3321305705800077
Energy: 1.379861981420582
Energy: 1.2707603427581962
Energy: 1.379485734398471
Energy: 1.3715084214981026
Energy: 1.3675141836478042
Energy: 1.449545163787994
Energy: 1.3927878729077159
Energy: 1.371508421498485
Energy: 1.3675141836474216
Energy: 1.4495451637883767
Energy: 1.3413067664613598
Energy: 1.339964894570009
Energy: 1.3997423527645096
Energy: 1.3131687689352036
Energy: 1.3413067664613598
Energy: 1.339964894570009
Energy: 1.399742352764127
Energy: 1.2855519281437988
Energy: 1.348224777590658
Energy: 1.4024338791685036
Energy: 1.3612444198301563
Energy: 1.2855519281437988
Energy: 1.348224777590658
Energy: 1.4024338791685036
Energy: 1.3422831927883154
Energy: 1.3211196388806767
Energy: 1.3997501160004915
Energy: 1.3398761454191557
Energy: 1.342283192788698
Energy: 1.3211196388810595
Energy: 1.3997501160004915
Energy: 1.3636402261015985
Energy: 1.3927084577120112
Energy: 1.4481246577509863
Energy: 1.3862096443287646
Energy: 1.3636402261015985
Energy: 1.3927084577120112
Energy: 1.4481246577509863
Energy: 1.37876303028727
Energy: 1.3322583059265345
Energy: 1.3844219208558006
Energy: 1.2708442465625993
Energy: 1.3787630302868874
Energy: 1.332258305926917
Energy: 1.3844219208558006
Energy: 1.3380319822562297
Energy: 1.4244325216163733
Energy: 1.4036644470860575
Energy: 1.2815596625220316
Energy: 1.3380319822562297
Energy: 1.4244325216159908
Energy: 1.4036644470860575
Energy: 1.3317649742128048
Energy: 1.3435996846684686
Energy: 1.3823827083580964
Energy: 1.2727010092522848
Energy: 1.3317649742124222
Energy: 1.3435996846688512
Energy: 1.3823827083577136
Energy: 1.3330178574098919
Energy: 1.2939867538686702
Energy: 1.4570621172210634
Energy: 1.338715003673058
Energy: 1.3330178574102747
Energy: 1.2939867538686702
Energy: 1.457062117220681
Energy: 1.3904412452207326
Energy: 1.2920544088635397
Energy: 1.411258513079456
Energy: 1.4187560261923804
Energy: 1.3904412452207326
Energy: 1.2920544088635397
Energy: 1.411258513079456
Energy: 1.3520722168569503
Energy: 1.262440442587156
Energy: 1.3796949453850094
Energy: 1.32257677828588
Energy: 1.352072216856568
Energy: 1.2624404425867732
Energy: 1.3796949453857745
Energy: 1.355653273107774
Energy: 1.3577224739381069
Energy: 1.364992898124423
Energy: 1.3844296051668679
Energy: 1.3556532731081568
Energy: 1.3577224739381069
Energy: 1.3649928981240402
Energy: 1.3261291293952544
Energy: 1.2668909058929156
Energy: 1.393356944790086
Energy: 1.3182838994937998
Energy: 1.3261291293944892
Energy: 1.2668909058936808
Energy: 1.3933569447904686
Energy: 1.391905698668389
Energy: 1.2904338255038654
Energy: 1.4460910136053104
Energy: 1.3304545760095894
Energy: 1.391905698668389
Energy: 1.290433825504248
Energy: 1.446091013605693
Energy: 1.3645685847088829
Energy: 1.3223950523409664
Energy: 1.333334133845209
Energy: 1.3878163959302172
Energy: 1.3645685847092657
Energy: 1.3223950523409664
Energy: 1.333334133844061
Energy: 1.4067327954088433
Energy: 1.3550504636524774
Energy: 1.50330164739142
Energy: 1.341599650346848
Energy: 1.4067327954084607
Energy: 1.355050463652095
Energy: 1.5033016473918028
Energy: 1.36031426982929
Energy: 1.3879789498871387
Energy: 1.3333657129120002
Energy: 1.3223426402544192
Energy: 1.36031426982929
Energy: 1.387978949886756
Energy: 1.3333657129123826
Energy: 1.3926583226049742
Energy: 1.3360991574113061
Energy: 1.424061802005406
Energy: 1.2853102378583767
Energy: 1.3926583226045917
Energy: 1.3360991574116885
Energy: 1.424061802005406
Energy: 1.326012445364474
Energy: 1.3201259856748166
Energy: 1.3929761881193208
Energy: 1.266868601748069
Energy: 1.326012445364474
Energy: 1.320125985674434
Energy: 1.3929761881193208
Energy: 1.3567330596495555
Energy: 1.3844596876614572
Energy: 1.37646351421873
Energy: 1.3580895725927438
Energy: 1.3567330596495555
Energy: 1.3844596876610749
Energy: 1.376463514219113
Energy: 1.352053751240945
Energy: 1.310931223047074
Energy: 1.3989808386112772
Energy: 1.2623526939146965
Energy: 1.352053751240945
Energy: 1.310931223047074
Energy: 1.3989808386112772
Energy: 1.358413512040471
Energy: 1.4188215382661558
Energy: 1.3683491866993605
Energy: 1.2921039187475951
Energy: 1.358413512040471
Energy: 1.4188215382661558
Energy: 1.3683491866989779
Energy: 1.333068444527496
Energy: 1.3541769809615427
Energy: 1.456994094223923
Energy: 1.2940708290143486
Energy: 1.3330684445271135
Energy: 1.3541769809615427
Energy: 1.4569940942235406
Energy: 1.3316978795724561
Energy: 1.2726224872880227
Energy: 1.4320285500242937
Energy: 1.3403046600709956
Energy: 1.3316978795724561
Energy: 1.2726224872880227
Energy: 1.4320285500246763
Energy: 1.317499887481674
Energy: 1.2815196587474484
Energy: 1.404605794200617
Energy: 1.4244581494003963
Energy: 1.3174998874812915
Energy: 1.2815196587474484
Energy: 1.4046057940996535

minimum gb energy = 1.262352693914314 eV
minimum distance =  2.28039108584093 Angstroms
sigma value = 39


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

Energy: 1.332110469409153
Energy: 1.3026891372211349
Energy: 1.2862793713417124
Energy: 1.3023246966178437
Energy: 1.3321104694087014
Energy: 1.3026891372206832
Energy: 1.2862793713457763
Energy: 1.3542232939465368
Energy: 1.2960507651287687
Energy: 1.2084442594277134
Energy: 1.295054268836595
Energy: 1.3542232939456336
Energy: 1.2960507651287687
Energy: 1.2084442594277134
Energy: 1.3275807729016194
Energy: 1.2594659868865257
Energy: 1.310939133620401
Energy: 1.3820430141797266
Energy: 1.327580772901168
Energy: 1.2594659868860743
Energy: 1.3109391335942213
Energy: 1.4080430003791586
Energy: 1.2948728345554636
Energy: 1.2082024485318923
Energy: 1.3652651971903507
Energy: 1.4080430003796103
Energy: 1.2948728344670017
Energy: 1.2082024485314407
Energy: 1.340169783435169
Energy: 1.3566317686468568
Energy: 1.4165056466067731
Energy: 1.2766414443726026
Energy: 1.3401697834347175
Energy: 1.356631768632407
Energy: 1.4196450028085856
Energy: 1.4042174935711529
Energy: 1.3440460769590226
Energy: 1.3920121524136482
Energy: 1.409738511382901
Energy: 1.4042174935711529
Energy: 1.3440460769590226
Energy: 1.392012152412745
Energy: 1.4291927417832369
Energy: 1.3873310456821226
Energy: 1.2670326508569467
Energy: 1.5049303140073662
Energy: 1.4291927417832369
Energy: 1.3873310456821226
Energy: 1.24970033693244
Energy: 1.4988762082176994
Energy: 1.3109077979031514
Energy: 1.421967316127122
Energy: 1.3054228250469542
Energy: 1.4988762082181513
Energy: 1.3109077979022483
Energy: 1.4219673161262187
Energy: 1.4288673005034216
Energy: 1.504913039516133
Energy: 1.3113550285350777
Energy: 1.3729669906419524
Energy: 1.428867300503873
Energy: 1.5049130395156816
Energy: 1.2564158581678817
Energy: 1.4038320885476918
Energy: 1.4101389509766682
Energy: 1.3920272086110785
Energy: 1.337842129991257
Energy: 1.4038320885472404
Energy: 1.4101389509757647
Energy: 1.3920272086119818
Energy: 1.3400818779076165
Energy: 1.3820277151841176
Energy: 1.4005060903069766
Energy: 1.3565549239730976
Energy: 1.3400818789867806
Energy: 1.3820277151832145
Energy: 1.4073866229352856
Energy: 1.4079100954958346
Energy: 1.3653076341627242
Energy: 1.2082083909291632
Energy: 1.2952110137703758
Energy: 1.407910095495383
Energy: 1.365307634163627
Energy: 1.2082083909287114
Energy: 1.3295740414147126
Energy: 1.382369224031923
Energy: 1.3691414355581157
Energy: 1.2594721730943412
Energy: 1.3295740414156154
Energy: 1.3823692240323746
Energy: 1.3721326200812545
Energy: 1.356239775909785
Energy: 1.2956695605890993
Energy: 1.2084550534460257
Energy: 1.3626930052792714
Energy: 1.356239775909785
Energy: 1.295669560082239
Energy: 1.2084550534442196
Energy: 1.332110469409153
Energy: 1.3026891372211349
Energy: 1.3626344766341811
Energy: 1.3023246966182953
Energy: 1.3321104694087014
Energy: 1.3026891372206832
Energy: 1.2862793713611187
Energy: 1.3542232939465368
Energy: 1.2960507651278659
Energy: 1.2084442594277134
Energy: 1.2950539237978294
Energy: 1.3542232939456336
Energy: 1.296050765128317
Energy: 1.2084442594277134
Energy: 1.3275807729002649
Energy: 1.2594659868865257
Energy: 1.3109391335409597
Energy: 1.3820430141797266
Energy: 1.327580772901168
Energy: 1.2594659868856226
Energy: 1.3109391336321308
Energy: 1.4080430003791586
Energy: 1.2948728345360576
Energy: 1.2082024485318923
Energy: 1.3652651971903507
Energy: 1.4080430003796103
Energy: 1.2948728347666951
Energy: 1.2082024485318923
Energy: 1.3401697834347175
Energy: 1.356631768651372
Energy: 1.4185995811832968
Energy: 1.2766414443726026
Energy: 1.340169783433814
Energy: 1.356631768644599
Energy: 1.4173981047517257
Energy: 1.4042174935711529
Energy: 1.3440460769585814
Energy: 1.3920121524140998
Energy: 1.409738511382901
Energy: 1.4042174935711529
Energy: 1.3440460769585814
Energy: 1.392012152412745
Energy: 1.4291927417832369
Energy: 1.3873310456821226
Energy: 1.2670326508569467
Energy: 1.5049303140073662
Energy: 1.4291927417832369
Energy: 1.3873310456825743
Energy: 1.2470960326725469
Energy: 1.4988762082176994
Energy: 1.3109077979040547
Energy: 1.4219673161266704
Energy: 1.3054228250469542
Energy: 1.4988762082181513
Energy: 1.3109077979036028
Energy: 1.4219673161266704
Energy: 1.4288673005034216
Energy: 1.504913039516133
Energy: 1.3896530136953065
Energy: 1.3729669906419524
Energy: 1.428867300503873
Energy: 1.5049130395156816
Energy: 1.2564158581403577
Energy: 1.4038320885476918
Energy: 1.4101389509766682
Energy: 1.3920272086115302
Energy: 1.3378421299908057
Energy: 1.4038320885476918
Energy: 1.4101389509762166
Energy: 1.3920272086119818
Energy: 1.3400818737046878
Energy: 1.382027715183666
Energy: 1.447207506337537
Energy: 1.356554923978065
Energy: 1.3400818713229363
Energy: 1.3820277151832145
Energy: 1.4082950049746206
Energy: 1.407910095495383
Energy: 1.3653076341627242
Energy: 1.2082083909291632
Energy: 1.2952110137699244
Energy: 1.4079100954958346
Energy: 1.3653076341631754
Energy: 1.2082083909287114
Energy: 1.3295740414142607
Energy: 1.382369224031923
Energy: 1.330985337695318
Energy: 1.2594721730943412
Energy: 1.3295740414124546
Energy: 1.382369224031923
Energy: 1.389074454901677
Energy: 1.3562397759093336
Energy: 1.2956695605669837
Energy: 1.2084550534460257
Energy: 1.3626930052797228
Energy: 1.3562397759088822
Energy: 1.2956695601102244
Energy: 1.2084550534446712
Energy: 1.332110469409153
Energy: 1.3026891372211349
Energy: 1.3626344766341811
Energy: 1.3023246966178437
Energy: 1.3321104694087014
Energy: 1.3026891372206832
Energy: 1.3386272467221234
Energy: 1.3542232939456336
Energy: 1.2960507651287687
Energy: 1.2084442594277134
Energy: 1.2950539203513534
Energy: 1.3542232939465368
Energy: 1.2960507651292204
Energy: 1.2084442594277134

minimum gb energy = 1.2082024485314407 eV
minimum distance =  2.33112534485532 Angstroms
sigma value = 21


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

Energy: 1.3243811241069339
Energy: 1.3610873919799384
Energy: 1.3291552529884696
Energy: 1.361071848883432
Energy: 1.3243811241069339
Energy: 1.3610873919799384
Energy: 1.2850712787441134
Energy: 1.4299521387886973
Energy: 1.3022986359505166
Energy: 1.2945894020080106
Energy: 1.3023944094039612
Energy: 1.4299521387892453
Energy: 1.3022986359428426
Energy: 1.2945894020074624
Energy: 1.3044205356297238
Energy: 1.2925491850877437
Energy: 1.2246282685431171
Energy: 1.315967482315831
Energy: 1.3044205356286276
Energy: 1.2925491850877437
Energy: 1.2246282685765422
Energy: 1.3706882288684894
Energy: 1.2952872073918387
Energy: 1.3323660762296237
Energy: 1.2791334598308162
Energy: 1.3706882322277394
Energy: 1.2952872073918387
Energy: 1.3323660762296237
Energy: 1.2719862208021657
Energy: 1.3537266404369295
Energy: 1.3142619731809126
Energy: 1.2917456124025428
Energy: 1.2719862208147734
Energy: 1.3537266404369295
Energy: 1.2519826255884676
Energy: 1.3710153159786218
Energy: 1.3529759588765913
Energy: 1.381181681404595
Energy: 1.2780112275163245
Energy: 1.3710153149227986
Energy: 1.35297595887714
Energy: 1.3811816814051432
Energy: 1.4311703170955332
Energy: 1.3461124681443168
Energy: 1.2835212385102452
Energy: 1.2669386859473406
Energy: 1.4311703170949848
Energy: 1.346112468144865
Energy: 1.283521238374913
Energy: 1.3540398470269308
Energy: 1.3676306969995253
Energy: 1.433859883746345
Energy: 1.2780755299058797
Energy: 1.354039847027479
Energy: 1.367630696998977
Energy: 1.4338598837474414
Energy: 1.3123299489113776
Energy: 1.2856893973924615
Energy: 1.3693663580011828
Energy: 1.2925554576605185
Energy: 1.3123299489119256
Energy: 1.2856893973924615
Energy: 1.3693663580236572
Energy: 1.3218781451286818
Energy: 1.3302235616018638
Energy: 1.2847706568285286
Energy: 1.2816704509233123
Energy: 1.32187814512923
Energy: 1.3302235616024118
Energy: 1.2847706568345585
Energy: 1.3799682339922967
Energy: 1.3336774097152855
Energy: 1.3991775802762974
Energy: 1.2591731009961655
Energy: 1.3799682339922967
Energy: 1.3336774097152855
Energy: 1.3991775802741047
Energy: 1.3183101704381368
Energy: 1.3804240157468803
Energy: 1.3925952640934318
Energy: 1.210168906209996
Energy: 1.3183101704381368
Energy: 1.3804240157463321
Energy: 1.39259526409398
Energy: 1.3808481453222874
Energy: 1.3412596965483121
Energy: 1.3030258521678697
Energy: 1.2844343225420645
Energy: 1.3808481453228356
Energy: 1.3412596965483121
Energy: 1.3030258521678697
Energy: 1.2964135751166195
Energy: 1.2890797280272173
Energy: 1.4244299074113653
Energy: 1.2708032664777535
Energy: 1.2964135751166195
Energy: 1.2890797280266693
Energy: 1.4244299074113653
Energy: 1.4252235035237637
Energy: 1.3103045045991748
Energy: 1.3681381773269399
Energy: 1.3100216422362478
Energy: 1.4252235035237637
Energy: 1.3103045045991748
Energy: 1.3681381773269399
Energy: 1.2309581927865068
Energy: 1.3498893951902111
Energy: 1.3562971644407888
Energy: 1.3652411440737298
Energy: 1.2309581927876032
Energy: 1.349889395242261
Energy: 1.3562971644407888
Energy: 1.385823708481966
Energy: 1.2377436622988025
Energy: 1.4775821315401159
Energy: 1.310533101353442
Energy: 1.385823708481966
Energy: 1.2377436622982545
Energy: 1.4775821315401159
Energy: 1.2648171016664078
Energy: 1.2987665680126979
Energy: 1.2881378059571684
Energy: 1.368991649765253
Energy: 1.264817101666956
Energy: 1.2987665680121498
Energy: 1.2881378059571684
Energy: 1.3712903190352101
Energy: 1.2385279315593507
Energy: 1.4091487290567402
Energy: 1.2890362190377993
Energy: 1.3712903190357584
Energy: 1.2385279315588027
Energy: 1.409148728912637
Energy: 1.2592818006668416
Energy: 1.3128898024424314
Energy: 1.2514420872884515
Energy: 1.3128844466960599
Energy: 1.2592818006662936
Energy: 1.3128898024424314
Energy: 1.2514420872884515
Energy: 1.3273837921735288
Energy: 1.2889930945890942
Energy: 1.3911702505051464
Energy: 1.2385650611286283
Energy: 1.3273837922135316
Energy: 1.2889930945890942
Energy: 1.3911702475962686
Energy: 1.2184840376733668
Energy: 1.368183720618516
Energy: 1.2884326203134402
Energy: 1.3019280529175248
Energy: 1.218484037674463
Energy: 1.368183720618516
Energy: 1.2884326203139882
Energy: 1.3861227080562415
Energy: 1.3110350237383364
Energy: 1.3955378762139081
Energy: 1.2378873803407293
Energy: 1.3861227080567897
Energy: 1.3110350237383364
Energy: 1.3955378764204636
Energy: 1.230874077961402
Energy: 1.37474609274388
Energy: 1.3562659448408916
Energy: 1.3630865510157322
Energy: 1.2308740779619503
Energy: 1.3747460927455244
Energy: 1.3562659448403434
Energy: 1.425182205572186
Energy: 1.3099887425321866
Energy: 1.3750311360922276
Energy: 1.3103444533924384
Energy: 1.4251822055710897
Energy: 1.3099887425327348
Energy: 1.3750311360960645

minimum gb energy = 1.210168906209996 eV
minimum distance =  2.29641546961766 Angstroms
sigma value = 113


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

Energy: 1.3178507469370182
Energy: 1.2913401487253389
Energy: 1.3763019605326858
Energy: 1.28951729316417
Energy: 1.3178507469370182
Energy: 1.2913401487287042
Energy: 1.376301960532074
Energy: 1.3382251688560356
Energy: 1.2151947756615837
Energy: 1.4345358589112274
Energy: 1.2163033980851115
Energy: 1.3382251688566476
Energy: 1.2151947756615837
Energy: 1.4345358589109214
Energy: 1.323514827899054
Energy: 1.2234659231008542
Energy: 1.2209161297803366
Energy: 1.231076761984554
Energy: 1.3235148279005835
Energy: 1.2234659231005482
Energy: 1.2209161297775832
Energy: 1.2249085008823615
Energy: 1.2768556285936605
Energy: 1.4257210944655407
Energy: 1.2505070970736762
Energy: 1.2249085008823615
Energy: 1.2768556285936605
Energy: 1.4257210944661527
Energy: 1.2969732247956773
Energy: 1.1671783310106645
Energy: 1.1441878542269786
Energy: 1.1767578114838602
Energy: 1.2969732247944816
Energy: 1.1671783310140298
Energy: 1.1921053799533163
Energy: 1.223598426336741
Energy: 1.2056669009710448
Energy: 1.487538708165281
Energy: 1.1602052318662515
Energy: 1.2235984263376585
Energy: 1.2056669009719625
Energy: 1.487538708164975
Energy: 1.2664083816488627
Energy: 1.1668777182246473
Energy: 1.2241868257035882
Energy: 1.1696001385233536
Energy: 1.2664083816497806
Energy: 1.166877718224953
Energy: 1.2241868257029762
Energy: 1.2309405058344185
Energy: 1.2481593168537044
Energy: 1.4457600331872305
Energy: 1.2013320643877874
Energy: 1.2309405058353362
Energy: 1.2481593168533986
Energy: 1.4457600331872305
Energy: 1.2708628355848162
Energy: 1.2055962815660906
Energy: 1.402286944386464
Energy: 1.1591397281636486
Energy: 1.2708628355848162
Energy: 1.2055962815648666
Energy: 1.4022869443855461
Energy: 1.2406521909858932
Energy: 1.2479955282522042
Energy: 1.3128615465948914
Energy: 1.238950855385722
Energy: 1.2406521909865051
Energy: 1.2479955282543456
Energy: 1.3128615465948914
Energy: 1.2722709280119457
Energy: 1.269457295654545
Energy: 1.3180990949813172
Energy: 1.1554072093687826
Energy: 1.2722709280107223
Energy: 1.2694572956548509
Energy: 1.3180990949553135
Energy: 1.2284198600970095
Energy: 1.1965131954837795
Energy: 1.5166063414509336
Energy: 1.1747822345280754
Energy: 1.2284198600976213
Energy: 1.1965131954837795
Energy: 1.5166063414509336
Energy: 1.3390348010705226
Energy: 1.1864724114370344
Energy: 1.364100673609122
Energy: 1.2304641689233844
Energy: 1.339034801069299
Energy: 1.1864724114382579
Energy: 1.3641006736069803
Energy: 1.2724425919447744
Energy: 1.3170270916494153
Energy: 1.5132327961161942
Energy: 1.2135298143341908
Energy: 1.272442591945386
Energy: 1.3170270916497213
Energy: 1.5132327961168062
Energy: 1.3369020721563578
Energy: 1.218845613734072
Energy: 1.4547550059687357
Energy: 1.2882211412335576
Energy: 1.3369020721560518
Energy: 1.218845613742026
Energy: 1.4547550059705712
Energy: 1.2975899184044866
Energy: 1.1976714611109154
Energy: 1.4495986781272292
Energy: 1.1838068061317184
Energy: 1.297589918402957
Energy: 1.1976714611118333
Energy: 1.4495986781269232
Energy: 1.3195046319124588
Energy: 1.184635619762048
Energy: 1.4269997314596423
Energy: 1.262683616337525
Energy: 1.3195046319124588
Energy: 1.184635619762048
Energy: 1.4269997314584186
Energy: 1.2514205639754439
Energy: 1.1910708040846238
Energy: 1.3788561387220262
Energy: 1.1698385870785286
Energy: 1.2514205639754439
Energy: 1.1910708040827882
Energy: 1.3788561387220262
Energy: 1.2760657151374468
Energy: 1.2448195131350934
Energy: 1.3170934450418372
Energy: 1.3453099030329723
Energy: 1.2760657151383645
Energy: 1.2448195131360114
Energy: 1.3170934450803837
Energy: 1.1967376508509793
Energy: 1.2572047130401136
Energy: 1.3661273186112388
Energy: 1.1427036885092643
Energy: 1.1967376508503673
Energy: 1.2572047130388895
Energy: 1.3661273186109328
Energy: 1.2884648806856054
Energy: 1.1512066557271654
Energy: 1.3865362922294557
Energy: 1.3195064790643387
Energy: 1.2884648806849934
Energy: 1.1512066557225766
Energy: 1.3865362922267024
Energy: 1.1959708693391866
Energy: 1.2276313172580042
Energy: 1.303416718090396
Energy: 1.172044770321675
Energy: 1.1959708693401043
Energy: 1.2276313172570863
Energy: 1.303416718090396
Energy: 1.2925801839754447
Energy: 1.1758469874982695
Energy: 1.3852617338412443
Energy: 1.3373712815058867
Energy: 1.292580183974833
Energy: 1.1758469874979636
Energy: 1.3852617338611015
Energy: 1.223119449776539
Energy: 1.1929321345675792
Energy: 1.3235248964156605
Energy: 1.170930524807236
Energy: 1.2231194497780686
Energy: 1.1929321345672732
Energy: 1.3235248964098483
Energy: 1.2926363711971292
Energy: 1.2347205169422177
Energy: 1.3174071846946684
Energy: 1.356505245470108
Energy: 1.2926363711959057
Energy: 1.2347205169425237
Energy: 1.3174071846946684
Energy: 1.237280887282342
Energy: 1.2558393891749617
Energy: 1.3890627174835353
Energy: 1.2113521230532698
Energy: 1.2372808872820362
Energy: 1.2558393891755735
Energy: 1.3890627174838408
Energy: 1.3734594531105757
Energy: 1.2491951386999827
Energy: 1.2733285429062988
Energy: 1.2659027847838897
Energy: 1.373459453108434
Energy: 1.2491951386996767
Energy: 1.2733285428992627
Energy: 1.2283025542123827
Energy: 1.3282945771313823
Energy: 1.4088934971433518
Energy: 1.2874539369094726
Energy: 1.2283025542126886
Energy: 1.3282945771313823
Energy: 1.4088934971445757
Energy: 1.3814791335946295
Energy: 1.219990251199173
Energy: 1.3516871402051847
Energy: 1.3306025868148528
Energy: 1.3814791335940175
Energy: 1.219990251199479
Energy: 1.351687140204879
Energy: 1.2237985848462647
Energy: 1.2576287558422763
Energy: 1.3671416804904706
Energy: 1.2665187875313049
Energy: 1.223798584844123
Energy: 1.2576287558413584
Energy: 1.3671416804901646
Energy: 1.294379552532425
Energy: 1.2318510315793403
Energy: 1.406996186559193
Energy: 1.2695775437229548
Energy: 1.294379552528754
Energy: 1.2318510315799522
Energy: 1.4069961865588871
Energy: 1.2344966461563143
Energy: 1.1593910812181276
Energy: 1.3425316802347476
Energy: 1.1947032396654083
Energy: 1.234496646156008
Energy: 1.1593910812175159
Energy: 1.3425316802350535
Energy: 1.300881664513012
Energy: 1.1640485760025439
Energy: 1.4497091999274614
Energy: 1.2392862929425914
Energy: 1.3008816645120942
Energy: 1.164048576003156
Energy: 1.4497091999283789
Energy: 1.2573061869120465
Energy: 1.1592547945961966
Energy: 1.2764529307709356
Energy: 1.1834766893319162
Energy: 1.2573061869089872
Energy: 1.1592547945961966
Energy: 1.2764529307721597
Energy: 1.2351624411021311
Energy: 1.1661379133836403
Energy: 1.3919975567245315
Energy: 1.2530980748918328
Energy: 1.235162441098154
Energy: 1.1661379133836403
Energy: 1.3919975567254492
Energy: 1.2572934450389779
Energy: 1.1940678434402803
Energy: 1.3532801083997335
Energy: 1.1652858682498703
Energy: 1.25729344503806
Energy: 1.1940678434415037
Energy: 1.3532801083991217
Energy: 1.2554626903832211
Energy: 1.1832201869437247
Energy: 1.3510755343207475
Energy: 1.2433707736942048
Energy: 1.2554626903829154
Energy: 1.1832201869428067
Energy: 1.3510755343216652
Energy: 1.2763933504775025
Energy: 1.1982968208127123
Energy: 1.3517123268497269
Energy: 1.1726137476113356
Energy: 1.2763933504790321
Energy: 1.1982968208117948
Energy: 1.3517123268488092
Energy: 1.2552015128866938
Energy: 1.244115166931938
Energy: 1.5153446291938029
Energy: 1.2201149622165413
Energy: 1.2552015128873055
Energy: 1.24411516693255
Energy: 1.5153446291938029
Energy: 1.2500139961764427
Energy: 1.279664620118569
Energy: 1.3673408208628195
Energy: 1.223215020184628
Energy: 1.250013996183173
Energy: 1.2796646201188753
Energy: 1.3673408208597606
Energy: 1.3499680872798674
Energy: 1.2473763906506596
Energy: 1.4915765735012827
Energy: 1.221143754905881
Energy: 1.3499680872789497
Energy: 1.247376390648518
Energy: 1.4915765735022006
Energy: 1.2598238074064831
Energy: 1.2269254003888639
Energy: 1.4889476080668802
Energy: 1.2827764451788
Energy: 1.2598238149246375
Energy: 1.2269254003910057
Energy: 1.4889476080671862
Energy: 1.337569844037876
Energy: 1.2478345014028691
Energy: 1.456447345488579
Energy: 1.2238880781028032
Energy: 1.3375698440387938
Energy: 1.2478345014040928
Energy: 1.4564473454888849
Energy: 1.2618534346926649
Energy: 1.1829553214830266
Energy: 1.5016672542811653
Energy: 1.2627204477635459
Energy: 1.2618534346905232
Energy: 1.182955321476908
Energy: 1.5016672542823892
Energy: 1.2327044142557348
Energy: 1.2199203189382528
Energy: 1.374661536091019
Energy: 1.2515017061268485
Energy: 1.2327044142575703
Energy: 1.2199203189400882
Energy: 1.3746615360913248

minimum gb energy = 1.1427036885092643 eV
minimum distance =  2.26129085529456 Angstroms
sigma value = 365


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

Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.4114093478752028
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.0665645053872925
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.6054154883853131
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0665254122410155
Energy: 1.463914425350417
Energy: 1.3432320302193308
Energy: 1.168626376680986
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0666095536965288
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.1782665837765032
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.2262835718987575
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.3490945298744361
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0665116214049757
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2180386172961672
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.066642519639344
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.066666151086273
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.0665755817038494
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2980607214776205
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2262835479971892
Energy: 1.463914425350417
Energy: 1.3432320302193308
Energy: 1.2228786232994429
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0666385796820785
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.2262849535337046
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.2262840585232395
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.268491314656562
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302193308
Energy: 1.0665331616456297
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2262852535621853
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0666748149249987
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.0666768254534964
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.0666364919891915
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 0.9924722507394522
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.066583300765449
Energy: 1.4639144253497272
Energy: 1.3432320302193308
Energy: 1.4212363436184932
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0666542137928714
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.0666740407936728
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.2262845510362566
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0199419549311353
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2262838673734597
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2262851026551211
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.0666143563377337
Energy: 1.463914425350417
Energy: 1.3432320302207101
Energy: 1.0666770024917864
Energy: 1.3432320302200205
Energy: 1.4639144253497272
Energy: 1.3432320302200205
Energy: 1.0666725114920188
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 0.8359981070774606
Energy: 1.3432320302200205
Energy: 1.463914425350417
Energy: 1.3432320302200205
Energy: 1.2262837414331542

minimum gb energy = 0.8359981070774606 eV
minimum distance =  2.31714534162954 Angstroms
sigma value = 23