Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.85487599670887
cohesive_energy=3.874281369635567
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0819610961766379e-19, 1.91867060628036e-19, 2.6127175023628197e-19, 3.2265434143809e-19, 3.7218242772493196e-19, 4.11354044249598e-19, 4.423801947670079e-19, 4.67668950758064e-19, 4.89386455031934e-19, 5.0881925542572e-19, 5.26390326570798e-19, 5.421429272362859e-19, 5.560994878950599e-19, 5.68333708672284e-19, 5.78964150638874e-19, 5.88147827104962e-19, 5.96028933967608e-19, 6.027372475341659e-19, 6.083464679297999e-19, 6.12887036510556e-19, 6.16370168512872e-19, 6.188070791731859e-19, 6.20225005494276e-19, 6.20680023658332e-19, 6.202009728447659e-19, 6.18682109395734e-19, 6.15998463533784e-19, 6.120074415384899e-19, 6.065263952735759e-19, 5.9935825701305995e-19, 5.902659046151099e-19, 5.78983376758482e-19, 5.652158729425199e-19, 5.48287274627676e-19, 5.2690782962358e-19, 4.995458570681279e-19, 4.64139355633362e-19, 4.1881698301077e-19, 3.6221688906145197e-19, 2.9257347513474e-19, 2.07028458115578e-19, 9.86503412322918e-20, -5.42678054232042e-20, -2.84419998244314e-19, -6.53515031595528e-19, -1.272669783098292e-18, -2.3511301233296397e-18, -4.3375888229945395e-18, -8.323227504798299e-18, -1.7127107999796598e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.141421623913241 eV

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

Energy: 0.014672207263973183
Energy: 1.4227762967990811
Energy: 1.5935029100295828
Energy: 0.015243690997527728
Energy: 0.015266968989094848
Energy: 1.5903192424226293
Energy: 0.014986536176344357
Energy: 0.16789763056772342
Energy: 0.20256938822863144
Energy: 0.37555825438210483
Energy: 0.16794880775157
Energy: 0.3752123500059091
Energy: 0.3757368173802367
Energy: 0.16797919555109828
Energy: 0.16810963840013537
Energy: 0.3750088561646847
Energy: 0.3760254254796826
Energy: 0.16795554110562955
Energy: 0.3751432119681843
Energy: 0.20289292987844765
Energy: 0.16765807022830503
Energy: 0.16857727067630446
Energy: 0.3759626825148426
Energy: 0.2035970595791448
Energy: 0.1686493713174927
Energy: 0.1690003755785362
Energy: 0.20340973919094668
Energy: 0.16777807633623748
Energy: 0.16754810397717593
Energy: 0.20306774278390546
Energy: 0.3771563356784321
Energy: 0.16875651190886506
Energy: 0.37506203371670477
Energy: 0.20256420414434587
Energy: 0.1682636455854129
Energy: 0.015052456907293219
Energy: 0.2026207269785632
Energy: 0.3755230006965426
Energy: 0.01545485739628203
Energy: 0.01568989257455805
Energy: 0.37589794846990043
Energy: 0.16839180672458834

minimum gb energy = 0.014672207263973183 eV
minimum distance =  2.44052889109287 Angstroms
sigma value = 5


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

Energy: 2.365710852679463
Energy: 1.7037255312653412
Energy: 1.7126893679327286
Energy: 1.2373345581688842
Energy: 1.250775283412898
Energy: 2.1039827593811955
Energy: 1.6232005936465324
Energy: 1.293372561176938
Energy: 1.308380300230417
Energy: 1.3009246783644304
Energy: 1.286894597567933
Energy: 1.2643312421148527
Energy: 1.2728040376907959
Energy: 1.3186918047647131
Energy: 1.2387972489973635
Energy: 1.2657310859064634
Energy: 1.27003962859841
Energy: 1.2691096973422737
Energy: 1.2877997524649387
Energy: 1.2695778943586045
Energy: 1.2743068698423774
Energy: 1.2004412498400794
Energy: 1.2500056606389538
Energy: 1.2760969757848557
Energy: 1.241017949330311
Energy: 1.2721485430425925
Energy: 1.2931306445390265
Energy: 1.2446588543293364
Energy: 1.2927906960802518
Energy: 1.251451396178755
Energy: 1.2590350800890657
Energy: 1.2501588177055534
Energy: 1.2657952805596924
Energy: 1.2611128818687807
Energy: 1.2436914825655958
Energy: 1.2670594995913644
Energy: 1.273631113925213
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Energy: 1.2549529051975579
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Energy: 1.2642545281824242
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Energy: 1.2668641787714066
Energy: 1.2427179913383901
Energy: 1.272585160236831
Energy: 1.2650704651260412
Energy: 1.2311576761869572
Energy: 1.2657346487186745
Energy: 1.2824794984442722
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Energy: 1.2682618490446076
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Energy: 1.2630401798738082
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Energy: 1.2936060714276207
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Energy: 1.254157843671448
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Energy: 1.2890706967008612
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Energy: 1.3223384378850034
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Energy: 1.25295143153097
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Energy: 1.305679675945618
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Energy: 1.2071107891407922
Energy: 1.1778935515828766
Energy: 1.2343816815816437
Energy: 1.2711740362480861
Energy: 1.3001690601431644
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Energy: 1.347539847995548
Energy: 1.2690566180633625
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Energy: 1.277704485814562
Energy: 1.257686281592661
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Energy: 1.3279339542410553
Energy: 1.1992112109915825
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Energy: 1.3378305136508661
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Energy: 1.2833162798894313
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Energy: 1.3478578820603273
Energy: 1.289887517595152
Energy: 1.290113634700326
Energy: 1.2386118768528884
Energy: 1.29403930396501
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Energy: 1.2193883232561151
Energy: 1.2804102339250814
Energy: 1.237012556391188
Energy: 1.2610719371007824
Energy: 1.2298807333878843
Energy: 1.2674497248289334
Energy: 1.2748941047680455
Energy: 1.1715792597223795
Energy: 1.2007542725182787
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Energy: 1.2201087192739972
Energy: 1.2006289696158452
Energy: 1.2454537738284548
Energy: 1.218025364979201
Energy: 1.1887004585834753
Energy: 1.205088971312579
Energy: 1.2264278259098436
Energy: 1.2028093864359173
Energy: 1.1997054505922906
Energy: 1.2249328804422994
Energy: 1.2180918221366523
Energy: 1.3220584444049577
Energy: 1.2801218413229751
Energy: 1.2848296433473056
Energy: 1.2905591466886148
Energy: 1.2751160491186608
Energy: 1.2687970792231655
Energy: 1.2760180901247953
Energy: 1.217626512397198
Energy: 1.2605197568412698
Energy: 1.2761280728048394
Energy: 1.2229651948308657
Energy: 1.265842928168953
Energy: 1.2630699890271728
Energy: 1.227868851936948
Energy: 1.230030496027072
Energy: 1.2689878847038991
Energy: 1.2717838131155421
Energy: 1.2629874496421023
Energy: 1.3123476804710954
Energy: 1.2699641312943712
Energy: 1.2686334121274254
Energy: 1.304788694761699
Energy: 1.284485470502588
Energy: 1.3277719164919939
Energy: 1.2926662766304717
Energy: 1.292991997973704
Energy: 1.3254249550331734
Energy: 1.289183712589351
Energy: 1.2609526703165175
Energy: 1.270233730994206
Energy: 1.2427428492058037
Energy: 1.2604715500677242
Energy: 1.2612703168560189
Energy: 1.2334160338888642
Energy: 1.3073765119467964

minimum gb energy = 1.1524977723078293 eV
minimum distance =  2.23174172124555 Angstroms
sigma value = 401


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

Energy: 1.8980343050160202
Energy: 1.8562549092901959
Energy: 1.4141731483483968
Energy: 1.5310524518340247
Energy: 1.5316588718300561
Energy: 1.4958302277411053
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Energy: 1.3752319727392488
Energy: 1.2853844817056388
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Energy: 1.2396001158221346
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Energy: 1.260509122975183
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Energy: 1.261656427786028
Energy: 1.235067630709834
Energy: 1.3081742196650417
Energy: 1.2366613293990394
Energy: 1.3651100639876423
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Energy: 1.2590051740975294
Energy: 1.3357497576308222
Energy: 1.275478699894931
Energy: 1.266968536223097
Energy: 1.299258361179587
Energy: 1.3678295261056148
Energy: 1.3059906925193236
Energy: 1.305359511749679
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Energy: 1.304232855621904
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Energy: 1.326929092956557
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Energy: 1.2254408793094451
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Energy: 1.3320238026157205
Energy: 1.3205873590351753
Energy: 1.3241994013608283
Energy: 1.2891816393079232
Energy: 1.2766635851101142
Energy: 1.3471863339579984
Energy: 1.3224741754145686
Energy: 1.2636074037119838
Energy: 1.3472653507663408
Energy: 1.3400473008315206
Energy: 1.3050889119861968
Energy: 1.2884169347270962
Energy: 1.3215438221414275
Energy: 1.3481232286632319
Energy: 1.287284530963766
Energy: 1.3208497454105952
Energy: 1.2600737340832193
Energy: 1.2163716297039882
Energy: 1.24302952952077
Energy: 1.288564881345569
Energy: 1.2584178670057244
Energy: 1.2435729178169144
Energy: 1.2866513380402567
Energy: 1.3584562792645607
Energy: 1.6858886329132143
Energy: 1.5745127361293911
Energy: 1.4140190992159531
Energy: 1.3160311670201288
Energy: 1.5732505290685366
Energy: 1.3802697841769411
Energy: 1.2742611231945828
Energy: 1.2281071094934384
Energy: 1.255617225596662
Energy: 1.297212687576013
Energy: 1.233342580028888
Energy: 1.252860709793962
Energy: 1.3114516108007817
Energy: 1.4004447220641518
Energy: 1.314621383657359
Energy: 1.2914201131749872
Energy: 1.3198720391900616
Energy: 1.404575384040678
Energy: 1.3111299604998998
Energy: 1.3213290271223768
Energy: 1.4081848241449852
Energy: 1.3327385604809159
Energy: 1.345007380849965
Energy: 1.4760864047752809
Energy: 1.3961692304730127
Energy: 1.34476682670035
Energy: 1.3830433881314945
Energy: 1.4149093905036563
Energy: 1.2495213155340539
Energy: 1.301186218880954
Energy: 1.3270613474743012
Energy: 1.3857540801528923
Energy: 1.3140660705947629
Energy: 1.391677022082054
Energy: 1.2572439901023178
Energy: 1.2557620227922197
Energy: 1.2604471616941657
Energy: 1.2783473021335514
Energy: 1.2438322855166823
Energy: 1.2566618015466264
Energy: 1.2755773451529475
Energy: 1.2618158976140796
Energy: 1.2289035908937405
Energy: 1.2515544752540853
Energy: 1.2762852420755377
Energy: 1.2447587758004675
Energy: 1.2368358553645522
Energy: 1.2451839904138535
Energy: 1.2677687942020577
Energy: 1.231818943576067
Energy: 1.2843897752187023
Energy: 1.2646211098045783
Energy: 1.2325965689604197
Energy: 1.2486540003506195
Energy: 1.2663665770630979
Energy: 1.3142384646541032
Energy: 1.3327502387732035
Energy: 1.339386440300579
Energy: 1.2968769095750912
Energy: 1.3429947274220757
Energy: 1.3229840030450013
Energy: 1.3077542374427862
Energy: 1.2879563214310648
Energy: 1.215873612078781
Energy: 1.3477596976751913
Energy: 1.2580425064037621
Energy: 1.3225989870558879
Energy: 1.367881979558319
Energy: 1.295029730160409
Energy: 1.288072753260996
Energy: 1.2703938829484527
Energy: 1.332592674674294
Energy: 1.275935008340761
Energy: 1.2874117773576206
Energy: 1.3263734131621558
Energy: 1.2776570828513771
Energy: 1.187370551677601
Energy: 1.2353167662664102
Energy: 1.2832361541344366
Energy: 1.1715943736092496
Energy: 1.1937283005044286
Energy: 1.3406016335245452
Energy: 1.2636718625051764

minimum gb energy = 1.1713642971671885 eV
minimum distance =  2.25905776105766 Angstroms
sigma value = 311


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

Energy: 1.516670623447757
Energy: 1.8383975364186957
Energy: 1.4229260419844525
Energy: 1.4208430269867836
Energy: 1.4529783003808459
Energy: 1.4413692319877245
Energy: 1.390063465696928
Energy: 1.2539862205421315
Energy: 1.2131448937747058
Energy: 1.2283004938130317
Energy: 1.2976236351088617
Energy: 1.2850247661459655
Energy: 1.297611158094621
Energy: 1.2669987021145603
Energy: 1.2813197707577668
Energy: 1.2132291352696625
Energy: 1.2358024996221062
Energy: 1.2599210925503408
Energy: 1.2212128998274692
Energy: 1.2296195589511125
Energy: 1.21361617903035
Energy: 1.2606789037540724
Energy: 1.2623384851725008
Energy: 1.2356660829023713
Energy: 1.2751956389541217
Energy: 1.280669496428233
Energy: 1.2738970030617427
Energy: 1.260049941767951
Energy: 1.2356659123975298
Energy: 1.2478432361464402
Energy: 1.2666821370284411
Energy: 1.2845077179827864
Energy: 1.3046331664000603
Energy: 1.293662532127527
Energy: 1.2801627527449724
Energy: 1.3208110692182975
Energy: 1.3440118553079674
Energy: 1.34240697562004
Energy: 1.309891984589326
Energy: 1.3484398656431278
Energy: 1.3365404631989641
Energy: 1.314374661852552
Energy: 1.2997125018239772
Energy: 1.3461706240364133
Energy: 1.3375094406016177
Energy: 1.3105585532281097
Energy: 1.3352293718912431
Energy: 1.3361639115803756
Energy: 1.3022217816684099
Energy: 1.247293145427499
Energy: 1.2353712868492923
Energy: 1.3156578657249622
Energy: 1.2830495207175583
Energy: 1.3045600883633235
Energy: 1.3041208065508023
Energy: 1.2900403576281374
Energy: 1.3003589033442062
Energy: 1.2392369007127162
Energy: 1.3144396678335417
Energy: 1.276072770471034
Energy: 1.285482568208039
Energy: 1.3201727310139
Energy: 1.3183031904416844
Energy: 1.3201638149302017
Energy: 1.346829054787399
Energy: 1.3718456243352295
Energy: 1.3431131819192743
Energy: 1.3783720128321346
Energy: 1.3544171738119684
Energy: 1.3541701292456707
Energy: 1.2519960691897956
Energy: 1.237434581423882
Energy: 1.2502756835763817
Energy: 1.2249024575227228
Energy: 1.2274618525836014
Energy: 1.2134075482020372
Energy: 1.2453967283874905
Energy: 1.309258193688357
Energy: 1.3346746928552153
Energy: 1.3605678691609315
Energy: 1.3013015280032931
Energy: 1.3409380360008845
Energy: 1.3857497099450062
Energy: 1.3258447180745323
Energy: 1.3070815324617469
Energy: 1.3667931550388464
Energy: 1.405468656399249
Energy: 1.3569048489242541
Energy: 1.3561516782713428
Energy: 1.4016632160366054
Energy: 1.3418422238338994
Energy: 1.2147636713727887
Energy: 1.2414159427376785
Energy: 1.2287588473803515
Energy: 1.2181019669959474
Energy: 1.227146056604647
Energy: 1.2028425178747737
Energy: 1.2211131191512952
Energy: 1.2252538938922595
Energy: 1.2544941828619196
Energy: 1.2093890569747834
Energy: 1.2900538054872783
Energy: 1.289542024051449
Energy: 1.2578443460031241
Energy: 1.3336223465012937
Energy: 1.2649275249288072
Energy: 1.2304552253740388
Energy: 1.2694432461883338
Energy: 1.270080258955521
Energy: 1.2835563151195635
Energy: 1.278354516888524
Energy: 1.3046797252644455
Energy: 1.2515135865351432
Energy: 1.2436768783475858
Energy: 1.2326467011258289
Energy: 1.2483178882175499
Energy: 1.2526119165643943
Energy: 1.2253742134387993
Energy: 1.2449159881805199
Energy: 1.3190579905352506
Energy: 1.3363050947219075
Energy: 1.311332850701394
Energy: 1.3288424482966286
Energy: 1.3368569081111885
Energy: 1.3151505267557926
Energy: 1.3246523770066134
Energy: 1.3186987905372056
Energy: 1.312513999414307
Energy: 1.311087844156089
Energy: 1.3174202503746764
Energy: 1.3290289733592149
Energy: 1.3053891762579337
Energy: 1.2835890401015846
Energy: 1.2638574806847855
Energy: 1.2511307421136695
Energy: 1.2131128143462808
Energy: 1.2346935850499041
Energy: 1.2133728754371833
Energy: 1.2220953595490611
Energy: 1.2574998664256625
Energy: 1.3520643412312827
Energy: 1.3513355243670528
Energy: 1.323738396720681
Energy: 1.393623896342049
Energy: 1.372458173279212
Energy: 1.332061846388903
Energy: 1.3104129112189782
Energy: 1.3307417571087246
Energy: 1.3259723387719111
Energy: 1.2928676932149787
Energy: 1.2641022349792843
Energy: 1.325892135378942
Energy: 1.2965374933713139
Energy: 1.2633833808546042
Energy: 1.2629992042865084
Energy: 1.2500583745224758
Energy: 1.3089021417430953
Energy: 1.295768944393363
Energy: 1.2873006558238915
Energy: 1.2845986977721837
Energy: 1.2990866932017928
Energy: 1.3693268548990265
Energy: 1.3718954216162003
Energy: 1.3070908376862747
Energy: 1.3535099557722552
Energy: 1.4054746919967074
Energy: 1.3498745098624334
Energy: 1.3279293041170164
Energy: 1.3720675858854865
Energy: 1.3720988398194969
Energy: 1.3561380799002232
Energy: 1.3567606627986932
Energy: 1.4038983095654372
Energy: 1.356343939113484
Energy: 1.3355624032668214
Energy: 1.2293165994524204
Energy: 1.2123012840500136
Energy: 1.2119990552064501
Energy: 1.2247811331281988
Energy: 1.210535964139128
Energy: 1.2129673381430093
Energy: 1.2232560302534357
Energy: 1.2529907861603868
Energy: 1.273252482763188
Energy: 1.2943777230088547
Energy: 1.2803939750399942
Energy: 1.2964976203040193
Energy: 1.3007043124964528
Energy: 1.3151487598749745
Energy: 1.2448243582854888
Energy: 1.2833005120605523
Energy: 1.2948097938725813
Energy: 1.2361741579233776
Energy: 1.2606097061504689
Energy: 1.3326705852264833
Energy: 1.2854029629479564
Energy: 1.2513727427674544
Energy: 1.2280686534220935
Energy: 1.2481691879701156
Energy: 1.3107504466020692
Energy: 1.2816987339792774
Energy: 1.3079149228322764
Energy: 1.3100961100490929
Energy: 1.294874283935384
Energy: 1.3311573880796623
Energy: 1.3565997696613223
Energy: 1.3444412764712443
Energy: 1.3007141241470308
Energy: 1.3142092455813315
Energy: 1.3326466841631373
Energy: 1.298909160238186
Energy: 1.2844601201502808
Energy: 1.3255862943192094
Energy: 1.323801250233873
Energy: 1.3015643559631647
Energy: 1.3059568761941491
Energy: 1.3004804999713542
Energy: 1.3131402726301018
Energy: 1.2140789061604584
Energy: 1.2399090689155285
Energy: 1.2528454870354409
Energy: 1.2248233656673289
Energy: 1.2452856685243265
Energy: 1.2551238024103402
Energy: 1.3554643443911398
Energy: 1.3990440587803008
Energy: 1.3991152159397575
Energy: 1.3613283424205602
Energy: 1.3067658860786897
Energy: 1.3024934071713827
Energy: 1.367376619505243
Energy: 1.378705026496494
Energy: 1.2196421018271688
Energy: 1.2412321267332793
Energy: 1.2825257269169663
Energy: 1.2191294293207762
Energy: 1.226581584074941
Energy: 1.312730935460062
Energy: 1.2316591985466439
Energy: 1.2886282179037425
Energy: 1.3075747493125751
Energy: 1.2902397047878102
Energy: 1.280129925960572
Energy: 1.3009038571639662
Energy: 1.3141641318910777
Energy: 1.3658056081701742
Energy: 1.303583488320126
Energy: 1.3454943225571534
Energy: 1.3958945474074755
Energy: 1.3449771050793793
Energy: 1.3453911799912368
Energy: 1.4006139439864607

minimum gb energy = 1.2028425178747737 eV
minimum distance =  2.24732437166353 Angstroms
sigma value = 39


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

Energy: 1.4407793686562453
Energy: 2.0264339830328653
Energy: 1.5484957293352626
Energy: 1.443808304440992
Energy: 1.4445827989765803
Energy: 1.3376777292067366
Energy: 1.443903911805021
Energy: 1.2841620174821082
Energy: 1.197877618576076
Energy: 1.192790616155278
Energy: 1.2665782951620934
Energy: 1.1974054469259185
Energy: 1.1923253880802867
Energy: 1.267449944310061
Energy: 1.2794783806280337
Energy: 1.1593401096958773
Energy: 1.2052484107912758
Energy: 1.2809195057641727
Energy: 1.1919511052147658
Energy: 1.189356146453946
Energy: 1.2826438153652537
Energy: 1.287308947757643
Energy: 1.1863264807691416
Energy: 1.2900371176421788
Energy: 1.264870884200983
Energy: 1.2501317763172295
Energy: 1.14560398924341
Energy: 1.3606601945434722
Energy: 1.3781420149948735
Energy: 1.1585078935249153
Energy: 1.207571689743522
Energy: 1.2676337964194246
Energy: 1.211728185000671
Energy: 1.1970388506171998
Energy: 1.208842407260063
Energy: 1.2222916741841428
Energy: 1.2022935008428512
Energy: 1.1835449743049464
Energy: 1.233664386801238
Energy: 1.204516354131747
Energy: 1.1831329010224427
Energy: 1.2334026273203247
Energy: 1.193408171030961
Energy: 1.205602599630261
Energy: 1.1973994184420729
Energy: 1.2313286948746216
Energy: 1.215500840643121
Energy: 1.2129368673464058
Energy: 1.2340033278032478
Energy: 1.2060260816296036
Energy: 1.1951800240921926
Energy: 1.2031714288072546
Energy: 1.2331233151194523
Energy: 1.2022443358607329
Energy: 1.2023613295632898
Energy: 1.234453414262861
Energy: 1.2079360111129709
Energy: 1.2815975211869257
Energy: 1.2123863614901844
Energy: 1.268198812643934
Energy: 1.208032315454412
Energy: 1.3704415995508188
Energy: 1.2674110618456744
Energy: 1.2977115266829127
Energy: 1.2464229744018527
Energy: 1.3357093098694532
Energy: 1.2738583032682318
Energy: 1.2964890388631207
Energy: 1.3568746109663534
Energy: 1.288450294537803
Energy: 1.204485012926355
Energy: 1.1906566288125788
Energy: 1.1927123165399722
Energy: 1.2664285443846048
Energy: 1.1986133076113663
Energy: 1.1914830016137812
Energy: 1.2804628075669404
Energy: 1.3583060527503832
Energy: 1.189306499138782
Energy: 1.215575798870298
Energy: 1.2680881857403146
Energy: 1.192207231558597
Energy: 1.1970308260766669
Energy: 1.268125766832353
Energy: 1.289436454917507
Energy: 1.2308813472688747
Energy: 1.4425962291088137
Energy: 1.4725120657231663
Energy: 1.2314254383541186
Energy: 1.1517037166901793
Energy: 1.4701981249731697
Energy: 1.2663932177307031
Energy: 1.192784915384475
Energy: 1.2039672454752595
Energy: 1.2673356409389933
Energy: 1.1914455310407825
Energy: 1.1896999710625091
Energy: 1.2680565862073372
Energy: 1.2460603166515505
Energy: 1.2886394308139346
Energy: 1.3355041495277038
Energy: 1.2669072093062108
Energy: 1.2039409320625207
Energy: 1.3342639772079172
Energy: 1.267923664521285
Energy: 1.4403419851326564
Energy: 1.2932133497687004
Energy: 1.1924389653741996
Energy: 1.443092672872179
Energy: 1.4418250827194983
Energy: 1.433415689486392
Energy: 1.4449810917307477
Energy: 1.2835000413088227
Energy: 1.1978592039851184
Energy: 1.1923710893232335
Energy: 1.2666232546617728
Energy: 1.1972134731823354
Energy: 1.1921254526775649
Energy: 1.267537655371427
Energy: 1.2795516553641328
Energy: 1.1591274108364344
Energy: 1.20504718967087
Energy: 1.2673970343114556
Energy: 1.1919561253847866
Energy: 1.1894104910563827
Energy: 1.2830772703924147
Energy: 1.2814748293744838
Energy: 1.1864463580351026
Energy: 1.288608943071251
Energy: 1.2645608587688286
Energy: 1.2496826108426264
Energy: 1.145410475738345
Energy: 1.360272048184901
Energy: 1.3782936059406075
Energy: 1.1584349390225432
Energy: 1.2074861476083552
Energy: 1.2676543474107476
Energy: 1.2114442180024125
Energy: 1.1978028473292452
Energy: 1.2069841151007112
Energy: 1.2217569676239048
Energy: 1.204193960866475
Energy: 1.1833552405482024
Energy: 1.2320532417104904
Energy: 1.2044212689881837
Energy: 1.1840054941150475
Energy: 1.233294368171254
Energy: 1.194707560819683
Energy: 1.2054769616786902
Energy: 1.1973657732317735
Energy: 1.2355516527958992
Energy: 1.2162054918083338
Energy: 1.2129710368268878
Energy: 1.2485911164757566
Energy: 1.2066697872607495
Energy: 1.195754213953035
Energy: 1.2032009631422713
Energy: 1.234583204557657
Energy: 1.2019801362368787
Energy: 1.202453037334969
Energy: 1.2340188568758823
Energy: 1.2073912004417733
Energy: 1.2812349424415317
Energy: 1.2126913187302064
Energy: 1.2684529063801244
Energy: 1.2999057443218949
Energy: 1.3710844474347792
Energy: 1.2819315116576255
Energy: 1.30274951989858
Energy: 1.2777866081953406
Energy: 1.3358709110810265
Energy: 1.2737525548987902
Energy: 1.298108397309868
Energy: 1.3601763269690896
Energy: 1.2889095657051983
Energy: 1.2053751892499338
Energy: 1.1908247009191384
Energy: 1.1925597985867047
Energy: 1.266774040144116
Energy: 1.1987091482055976
Energy: 1.1910801200338015
Energy: 1.2802756327256324
Energy: 1.358325597036301
Energy: 1.194610254105661
Energy: 1.2177417184093529
Energy: 1.2681450312528835
Energy: 1.1921965842740863
Energy: 1.1971380939976437
Energy: 1.3820355377988678
Energy: 1.289494888102182
Energy: 1.230935283164474
Energy: 1.4476589776668798
Energy: 1.3789959620420909
Energy: 1.2314222326869686
Energy: 1.1548507190181934
Energy: 1.4714274920595973
Energy: 1.2665038337842973
Energy: 1.1927812280616565
Energy: 1.2043171212300405
Energy: 1.2674733138533285
Energy: 1.1914697557848055
Energy: 1.1903150746213835
Energy: 1.2678355283331741
Energy: 1.2455770205132841
Energy: 1.1971345570897685
Energy: 1.3371421209569103
Energy: 1.2673267763109994
Energy: 1.2049991127443822
Energy: 1.3342201883100109
Energy: 1.2682384123397503

minimum gb energy = 1.145410475738345 eV
minimum distance =  2.24223333679207 Angstroms
sigma value = 21


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

Energy: 1.6673373094617299
Energy: 1.1107461211772116
Energy: 1.1395744011597682
Energy: 1.2726604136733806
Energy: 1.1958140097353125
Energy: 1.2076399775780793
Energy: 1.1960002154955591
Energy: 1.2697610241916868
Energy: 1.2100793650490742
Energy: 1.1887914081632074
Energy: 1.2609407166072346
Energy: 1.2299249719487508
Energy: 1.1903609794314667
Energy: 1.2254123284856127
Energy: 1.219833869334993
Energy: 1.1653075077241577
Energy: 1.1655814447825774
Energy: 1.2059240324258376
Energy: 1.2140965596105897
Energy: 1.1654313337283362
Energy: 1.2298429219496736
Energy: 1.2565349602128772
Energy: 1.1961613230560348
Energy: 1.110431086077496
Energy: 1.231707181574554
Energy: 1.2187425736690047
Energy: 1.1107622254640652
Energy: 1.249958349439104
Energy: 1.1439437167186033
Energy: 1.1399431286183925
Energy: 1.165552122833259
Energy: 1.1524969728478367
Energy: 1.1485340496621292
Energy: 1.1109862496612857
Energy: 1.1748475406293386
Energy: 1.1214451780994388
Energy: 1.169582385163489
Energy: 1.1729107580764195
Energy: 1.136742656293635
Energy: 1.1694986719605698
Energy: 1.136455770713699
Energy: 1.166118681152159
Energy: 1.1361081375575526
Energy: 1.131569194402753
Energy: 1.0977825161084296
Energy: 1.1738366386435966
Energy: 1.1315659860731744
Energy: 1.1751433317793767
Energy: 1.1327455793649335
Energy: 1.1108894972944685
Energy: 1.1315650361459921
Energy: 1.1739342159138624
Energy: 1.1368958092015935
Energy: 1.1313719122654318
Energy: 1.1842483246676843
Energy: 1.1436494531307464
Energy: 1.0672160409166809
Energy: 1.0929790177426724
Energy: 1.1621852496780634
Energy: 1.108333346952596
Energy: 1.0815160281025404
Energy: 1.1782187340708419
Energy: 1.1075809738299816
Energy: 1.088059041844109
Energy: 1.0813521088066542
Energy: 1.1653952921821906
Energy: 1.1213319873855487
Energy: 1.0781995368252821
Energy: 1.1621976924173187
Energy: 1.1094638534907983
Energy: 1.1168719164574865
Energy: 1.1147497142266125
Energy: 1.16053014347439
Energy: 1.1393054597997363
Energy: 1.1157799010866507
Energy: 1.1545444282998194
Energy: 1.126210912618752
Energy: 1.1306688369267681
Energy: 1.1627729282179655
Energy: 1.1458737729555013
Energy: 1.1251377637660003
Energy: 1.1540290837162435
Energy: 1.1369929639722907
Energy: 1.1354158369038476
Energy: 1.1084451577628096
Energy: 1.1673766167733672
Energy: 1.0784392779909004
Energy: 1.099006500000202
Energy: 1.1645877170589818
Energy: 1.0848030986547914
Energy: 1.107949813772445
Energy: 1.130813764070482
Energy: 1.1768737999652805
Energy: 1.0684301725763141
Energy: 1.1123959207536218
Energy: 1.143438342189221
Energy: 1.0679173035250957
Energy: 1.0976621817939425
Energy: 1.1319246478097422
Energy: 1.17057436715554
Energy: 1.1093672801819974
Energy: 1.107521349821593
Energy: 1.158694375426323
Energy: 1.1318211386855404
Energy: 1.136792315545648
Energy: 1.3198408053831379
Energy: 1.1727542411124172
Energy: 1.13179367203708
Energy: 1.1632125589656073
Energy: 1.1551944055787557
Energy: 1.1318456720517007
Energy: 1.174820513635299
Energy: 1.1632475257384802
Energy: 1.1522841080782766
Energy: 1.1111176643501663
Energy: 1.1536726645124593
Energy: 1.189569992108018
Energy: 1.1319728940426053
Energy: 1.170391605612242
Energy: 1.1896339296522072
Energy: 1.1647777249002604
Energy: 1.148594796627064
Energy: 1.1699575944609888
Energy: 1.1659974873310213
Energy: 1.148474382564854
Energy: 1.152592201653245
Energy: 1.1649553221557576
Energy: 1.1111907188831254
Energy: 1.2131347806367008
Energy: 1.1750167335254695
Energy: 1.1102865397935535
Energy: 1.1344306273599993
Energy: 1.2112446687680478
Energy: 1.188826209354087
Energy: 1.164857241626406
Energy: 1.2258805357432496
Energy: 1.2394054058885773
Energy: 1.1640042055341122
Energy: 1.1686690976021235
Energy: 1.2399312684493302
Energy: 1.1919382519500872
Energy: 1.1962434885999118
Energy: 1.2079287950822133
Energy: 1.2437404750514043
Energy: 1.1890440592925
Energy: 1.1811251004151293
Energy: 1.244521631970356
Energy: 1.2631089607959392
Energy: 1.1686859163585912
Energy: 1.2334079551709745
Energy: 1.241398858699634
Energy: 1.1832635144464516
Energy: 1.1889423061740796
Energy: 1.2618687049842692
Energy: 1.253195768806235
Energy: 1.2157936094559247
Energy: 1.2586816867219937
Energy: 1.2411009566824407
Energy: 1.2101300567807551
Energy: 1.1102667391626624
Energy: 1.2620285963809053
Energy: 1.2576951957898364
Energy: 1.1935701412431985
Energy: 1.2091096659045109
Energy: 1.2425794638065242
Energy: 1.2114145208154217
Energy: 1.18906400676269
Energy: 1.2444514437024692
Energy: 1.2676632305028606
Energy: 1.2096086824284766
Energy: 1.234953221405487
Energy: 1.2343891049243247
Energy: 1.2578429292799669
Energy: 1.190248994302191
Energy: 1.2252238230448436

minimum gb energy = 1.0672160409166809 eV
minimum distance =  2.24160279167128 Angstroms
sigma value = 113


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

Energy: 1.6622093691264241
Energy: 1.0473583286115768
Energy: 1.0644268886550303
Energy: 1.180559590621785
Energy: 1.181472530652576
Energy: 1.1186935807782463
Energy: 0.989038387308477
Energy: 1.1125316391874187
Energy: 1.0500627350085723
Energy: 1.0707732536015566
Energy: 1.0676312309853797
Energy: 1.0544578466696741
Energy: 1.0611066504551276
Energy: 1.0480988531816617
Energy: 1.0962081701861193
Energy: 1.022866519026641
Energy: 1.0698685024471164
Energy: 1.072949919595748
Energy: 1.0354358629313976
Energy: 1.05678589920109
Energy: 1.0744078504036465
Energy: 1.005463486543823
Energy: 1.0195203833526592
Energy: 1.0164142421550915
Energy: 0.9980158777146382
Energy: 0.9912312268690165
Energy: 1.0157158588347122
Energy: 1.0911133605810677
Energy: 0.9544522816302708
Energy: 1.0055835354174583
Energy: 1.0574991021877178
Energy: 1.0260419120273585
Energy: 1.0004495269093638
Energy: 1.0157813215959377
Energy: 1.0400830489391324
Energy: 1.01459958826888
Energy: 1.003890618964549
Energy: 1.03561308908515
Energy: 1.0260067191003293
Energy: 0.9994100478604079
Energy: 1.0274142745100752
Energy: 1.0374539667444078
Energy: 1.0172210519503364
Energy: 1.1189496679721218
Energy: 1.0037791579804425
Energy: 1.007772273967435
Energy: 0.9994357339007076
Energy: 1.033211651316172
Energy: 1.0136456959415108
Energy: 1.0194055526545824
Energy: 1.1383607195812337
Energy: 1.0323655002540424
Energy: 0.9939974517053097
Energy: 1.0211871163925526
Energy: 1.021423487338101
Energy: 1.0031333938906717
Energy: 0.9949848613901037
Energy: 0.9852385632173847
Energy: 1.004459925214252
Energy: 0.9799168887597651
Energy: 0.9874338039752206
Energy: 1.002492804064301
Energy: 0.9804188530593625
Energy: 0.9582613714624423
Energy: 0.9770002557505103
Energy: 0.9706636793055946
Energy: 0.9756453789998804
Energy: 0.982265490069666
Energy: 1.0138284018111032
Energy: 0.9777570174711496
Energy: 0.9840304747505544
Energy: 1.0171983403491165
Energy: 1.0197241293506434
Energy: 0.9812416008494446
Energy: 0.9812498261431548
Energy: 1.0241089551359233
Energy: 0.962131067225549
Energy: 0.9888165282335729
Energy: 0.9792117583979141
Energy: 0.965577261006784
Energy: 0.9637338935469764
Energy: 0.9865931371028396
Energy: 0.9649624709825867
Energy: 0.9653193436411414
Energy: 0.976414371759553
Energy: 0.9972200656884391
Energy: 0.9361863768886883
Energy: 0.9589020952824286
Energy: 1.009020422123703
Energy: 0.9394786047240351
Energy: 0.9579475158388839
Energy: 0.9772561725153738
Energy: 0.9531778564963244
Energy: 0.9371992895574951
Energy: 0.9558188151404408
Energy: 1.0023716903421651
Energy: 0.9267408313134419
Energy: 0.9594525227519627
Energy: 0.9908806084415801
Energy: 0.9519008844052729
Energy: 0.9458603852003938
Energy: 0.9579976176663683
Energy: 0.9451404672857838
Energy: 0.9500661696476488
Energy: 0.9594625305626017
Energy: 0.9300208236677615
Energy: 0.933238200570773
Energy: 0.9501281151414859
Energy: 0.9590364192004408
Energy: 0.9419553357037518
Energy: 0.9774246267416261
Energy: 0.961566332208679
Energy: 0.9338373838617254
Energy: 0.9403300366242424
Energy: 0.9497832346988718
Energy: 0.9568159882599501
Energy: 0.9438145763523762
Energy: 0.9507181012383299
Energy: 0.9512847003464965
Energy: 0.9696034258331522
Energy: 0.9480426092439598
Energy: 0.9749119998319523
Energy: 0.9603744482154338
Energy: 0.9435583391396809
Energy: 0.9625503188324472
Energy: 0.9699357111397211
Energy: 0.9993994248748024
Energy: 0.9544218633729759
Energy: 0.9637862007920308
Energy: 0.9528381003840579
Energy: 0.9412745031593657
Energy: 0.962882693599754
Energy: 0.953850696156179
Energy: 0.9209834445505625
Energy: 0.9173660336928143
Energy: 0.9735042260527614
Energy: 0.9357574735276413
Energy: 0.911484116866841
Energy: 0.9707430385876467
Energy: 0.9335796105835845
Energy: 0.9494608309873831
Energy: 0.9547747749983294
Energy: 0.962005860457301
Energy: 0.942861028090221
Energy: 0.9602330468580101
Energy: 0.9589823679961402
Energy: 0.9454799322755646
Energy: 0.961443917065736
Energy: 0.9637877334861346
Energy: 0.9634802770549413
Energy: 0.9435920735127802
Energy: 0.9600884760370733
Energy: 0.9623425713683841
Energy: 0.9454235328366953
Energy: 0.9502550223405891
Energy: 0.9663705955958887
Energy: 0.9080847506883216
Energy: 0.9370071421950164
Energy: 0.9689898194743323
Energy: 0.9118183208535284
Energy: 0.9322003889636141
Energy: 0.9723161495584965
Energy: 0.9958529809555763
Energy: 0.9504306000269602
Energy: 0.953156945122114
Energy: 0.9611625842615906
Energy: 0.9418261600355115
Energy: 0.9583164392977668
Energy: 0.9827728643925311
Energy: 0.9711682331160595
Energy: 0.946532076919599
Energy: 0.9636184749030665
Energy: 0.9750486398057655
Energy: 0.9455032988820397
Energy: 0.9548486282843831
Energy: 0.9624852624491577
Energy: 0.9422089257603555
Energy: 0.9436527967470633
Energy: 0.9522938397737809
Energy: 0.9491427040163022
Energy: 0.9429940720721011
Energy: 0.950556890422433
Energy: 0.9535505845103495
Energy: 0.9396972817143653
Energy: 0.9316380288011286
Energy: 0.9604025819165677
Energy: 0.9499742915948582
Energy: 0.9271912120993615
Energy: 0.9505720793434027
Energy: 0.9670109346623278
Energy: 0.9487641545378928
Energy: 0.9426385681558198
Energy: 0.9787056374215979
Energy: 0.9448478540812151
Energy: 0.9548713609490361
Energy: 0.9772026317227749
Energy: 0.942943008234796
Energy: 0.9411331343675611
Energy: 1.007930385655073
Energy: 0.955739868489872
Energy: 0.9369747914279526
Energy: 1.0053530929807633
Energy: 0.9576920008424002
Energy: 0.9508549878280114
Energy: 0.9422145237849184
Energy: 0.9993558056190157
Energy: 0.9575307283945446
Energy: 0.9385331219925408
Energy: 0.9971641964371462
Energy: 0.9624616959328642
Energy: 1.0003111265111668
Energy: 0.959592839903123
Energy: 0.9818365088872578
Energy: 0.966739035322976
Energy: 0.9651709328942435
Energy: 0.9868999572720362
Energy: 0.9635913359901201
Energy: 0.9807796073026349
Energy: 1.013629848139481
Energy: 0.9823518120309835
Energy: 0.9710664841484499
Energy: 1.0185257253798814
Energy: 0.9967199733027259
Energy: 0.9923908614939434
Energy: 0.9763852105402276
Energy: 1.014092739327829
Energy: 0.9742395113694631
Energy: 0.993466151802555
Energy: 1.0145299769017364
Energy: 0.9803760968880433
Energy: 0.9965638922333315
Energy: 1.00374356670156
Energy: 1.0048900159628902
Energy: 0.9960266485905948
Energy: 0.9799013962656618
Energy: 1.0025776370762975
Energy: 0.9910156782214559
Energy: 0.9816473602367718
Energy: 1.0215216162622565
Energy: 1.033384899959717
Energy: 1.0223340855887486
Energy: 1.0033577510635978
Energy: 0.9968124549762897
Energy: 1.0215052190557687
Energy: 0.9858853200356236
Energy: 0.990115822612131
Energy: 1.019814330292498
Energy: 1.0002250671911093
Energy: 0.9672317484895205
Energy: 1.0650879490159273
Energy: 1.00250659310507
Energy: 1.0142089339768088
Energy: 1.0523273758962122
Energy: 1.0198612538571505
Energy: 1.0007808764879056
Energy: 1.0241584804165411
Energy: 1.0308811055790346
Energy: 1.008485006435451
Energy: 1.0257244110928052
Energy: 1.1034743336152075
Energy: 1.0160097122519423
Energy: 1.0224589316483355
Energy: 1.0270659285950028
Energy: 1.0140287497037472
Energy: 1.0110039463653875
Energy: 1.0620155225850625
Energy: 1.0987973856782227
Energy: 1.1341219081389353
Energy: 1.1529458917167297
Energy: 1.0584957465556133
Energy: 1.0155730600894042
Energy: 1.009625511955117
Energy: 0.9774897974929767
Energy: 1.1003486734405128
Energy: 1.057973283398294
Energy: 1.0382858092577991
Energy: 1.095398680836632
Energy: 1.068944081180238
Energy: 1.022415958670958
Energy: 1.048969744642824
Energy: 1.054934465786715
Energy: 1.0570441696993838
Energy: 1.1220543218273515
Energy: 1.0531067882380458
Energy: 1.0538146394836114
Energy: 1.0437852473260891
Energy: 1.124709573737585
Energy: 0.9951459940516171
Energy: 1.0917586772032322
Energy: 1.0745187454033498
Energy: 0.9977266930338838
Energy: 0.9917146191258737
Energy: 1.0750124146128839
Energy: 1.1050102454416826
Energy: 1.098497297785423
Energy: 1.0558932847796516
Energy: 1.071660603642345
Energy: 1.0662333139703444
Energy: 1.0727577110769901
Energy: 1.0583746781719263
Energy: 1.0718776792674944
Energy: 1.1113419844485084
Energy: 1.0580783070787345
Energy: 1.0727078102747871
Energy: 1.0621014748021953
Energy: 1.0578952569574875
Energy: 1.0604448670098807
Energy: 1.0686322975099094
Energy: 1.1481799885124526
Energy: 0.9916763473356432
Energy: 0.9925959588984955
Energy: 1.048461264916577
Energy: 1.0718097329659009
Energy: 1.0087542815525725
Energy: 1.000344417337743

minimum gb energy = 0.9080847506883216 eV
minimum distance =  2.24335277466324 Angstroms
sigma value = 365


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

Energy: 1.2028777668023745
Energy: 1.1357935423013366
Energy: 1.2236637198528124
Energy: 1.2059156065674463
Energy: 1.205556673070958
Energy: 1.2073059835259292
Energy: 1.222889729521313
Energy: 0.3820424610430131
Energy: 0.3676149015312269
Energy: 0.36651848246663016
Energy: 0.3664418579976734
Energy: 0.36620959424560123
Energy: 0.3666305903024304
Energy: 0.3670372142755898
Energy: 0.38189878720625564
Energy: 0.3677666380263123
Energy: 0.36694289127297475
Energy: 0.3665811934446673
Energy: 0.3668268688791691
Energy: 0.36659915171558305
Energy: 0.36735711761476264
Energy: 1.1501218953326977
Energy: 1.182658710683595
Energy: 1.1647555187943133
Energy: 1.1523115404723197
Energy: 1.1517671436516863
Energy: 1.1629991814492708
Energy: 1.1911195730903734
Energy: 1.1934320915850523
Energy: 1.1821556922454215
Energy: 1.182497419350346
Energy: 1.1823045187227557
Energy: 1.223384523950801
Energy: 1.1828075992323759
Energy: 1.1823585998704254
Energy: 0.3827311530357843
Energy: 0.3675968907927604
Energy: 0.3670713526960905
Energy: 0.3668495309825113
Energy: 0.36649209235205876
Energy: 0.36668540966554647
Energy: 0.3667990225226354
Energy: 1.1933858464571827
Energy: 1.1823144567066908
Energy: 1.1894248320620322
Energy: 1.1608664355039715
Energy: 1.1657479939492008
Energy: 1.1990645734117853
Energy: 1.1820971354919216
Energy: 1.152087612678127
Energy: 1.1823459395321885
Energy: 1.199858467475701
Energy: 1.1639995219615342
Energy: 1.1530070440939906
Energy: 1.1618195515701037
Energy: 1.1826315477478213
Energy: 0.3822832477072141
Energy: 0.3671220488460697
Energy: 0.3668050390899717
Energy: 0.3668034801682202
Energy: 0.36684250729067486
Energy: 0.3670094869733398
Energy: 0.3674996180501628
Energy: 1.1930647189171584
Energy: 1.182628168875504
Energy: 1.1824089966362161
Energy: 1.1827989206620573
Energy: 1.1827435494426664
Energy: 1.1824558266970981
Energy: 1.1827315359223893
Energy: 1.1505151839252281
Energy: 1.18328138075063
Energy: 1.1642579059866052
Energy: 1.1523602004710898
Energy: 1.1520808709983847
Energy: 1.1518848541292928
Energy: 1.1659726223636289
Energy: 0.38176871238989385
Energy: 0.3675044129742661
Energy: 0.3669575006288526
Energy: 0.36679538898315445
Energy: 0.3664836593801676
Energy: 0.3668680328112955
Energy: 0.36718004272618787
Energy: 0.3818501308435346
Energy: 0.36781593691528935
Energy: 0.3668442016446022
Energy: 0.36671636620421133
Energy: 0.3665231465154844
Energy: 0.3667001350790372
Energy: 0.3668448431735481
Energy: 1.150204622404454
Energy: 1.1835923346840256
Energy: 1.1649037408910636
Energy: 1.1530896753711526
Energy: 1.1525588233681454
Energy: 1.1543626307276684
Energy: 1.1649619112750627
Energy: 1.1508680331927459
Energy: 1.1831063926077705
Energy: 1.1825300868201551
Energy: 0.3663225614708826
Energy: 0.36590032527654853
Energy: 0.36688117821061006
Energy: 1.1824004516980116
Energy: 0.38202011442375533
Energy: 0.3675530117506439
Energy: 0.3670674457704592
Energy: 0.3670213218583435
Energy: 0.3667272972259655
Energy: 0.3666612775034187
Energy: 0.3671885789431582
Energy: 1.1502152990405172
Energy: 1.1820225800319646
Energy: 1.1643713764590826
Energy: 1.1520295418982063
Energy: 1.1526046931088818
Energy: 1.1641027577775829
Energy: 1.192987335113414
Energy: 1.1926999007583676
Energy: 1.1825263901412004
Energy: 1.1824128113060364
Energy: 1.2250482419939412
Energy: 1.2228672774236824
Energy: 1.1823860057276714
Energy: 1.1821857823008672
Energy: 0.38321049287035863
Energy: 0.3672254598489475
Energy: 0.36689883737185686
Energy: 0.36661602474962696
Energy: 0.3665315329459522
Energy: 0.36654104549383654
Energy: 0.3665881163158788
Energy: 1.193817842716042
Energy: 1.1826151418134243
Energy: 1.1824291219080687
Energy: 1.1648242296350735
Energy: 1.2218088405773853
Energy: 1.2001568859492902
Energy: 1.1821050690716386

minimum gb energy = 0.36590032527654853 eV
minimum distance =  2.29021156599953 Angstroms
sigma value = 23