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=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8599998205900192
cohesive_energy=1.5373099021567544
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=[0.0, 0.0, 6.940228634329499e-21, 3.1938910545799796e-20, 5.957693813528999e-20, 8.253725082415379e-20, 1.0061236673828819e-19, 1.1601809616251518e-19, 1.313317004302872e-19, 1.46930812574238e-19, 1.62281266904592e-19, 1.7677295455912198e-19, 1.89960470433576e-19, 2.0158906844314796e-19, 2.1157383322623598e-19, 2.19956421375324e-19, 2.26863404844498e-19, 2.32482238299936e-19, 2.37000376407816e-19, 2.40523562825982e-19, 2.43139917269304e-19, 2.44927946392848e-19, 2.45954941615242e-19, 2.46284990001846e-19, 2.45938919848902e-19, 2.44835020148076e-19, 2.4287075159479196e-19, 2.399259509415e-19, 2.35817970051924e-19, 2.3004212328635397e-19, 2.2190466816226795e-19, 2.1061412942247e-19, 1.9526848162201797e-19, 1.7483592300861598e-19, 1.4814013549758119e-19, 1.138368928929876e-19, 7.039771868599919e-20, 1.6076080127892598e-20, -5.11103959305804e-20, -1.3340988374224858e-19, -2.31975950483592e-19, -3.4605573335429396e-19, -4.7841795379557e-19, -6.354152421612299e-19, -8.2701954582129e-19, -1.0748987015739658e-18, -1.4280376578271739e-18, -1.93055875690464e-18, -2.6160179862288597e-18, -3.5780129025814795e-18, -5.141256644375279e-18, -7.963170349839478e-18, -1.3475715407377919e-17, -2.5404753579357598e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.005800463691410771
Energy: 0.005820628790063775
Energy: 1.6639981857701798
Energy: 0.005925931841240777
Energy: 0.005904747884572705
Energy: 1.479450654230323
Energy: 0.0058244732355997916
Energy: 0.006063326796422886
Energy: 0.1742741034109805
Energy: 0.3795495314174374
Energy: 0.13533050275798034
Energy: 0.37942903853709475
Energy: 0.17424652031981264
Energy: 0.13539598538388106
Energy: 0.13541309750419078
Energy: 0.17419954408274285
Energy: 0.1741809047729555
Energy: 0.13531219360291533
Energy: 0.37957492528240694
Energy: 0.17433027122151498
Energy: 0.13523602543143615
Energy: 0.13538756444134073
Energy: 0.3797686562927256
Energy: 0.17443429359822246
Energy: 0.13545316676828287
Energy: 0.13566512801431888
Energy: 0.17455968945347505
Energy: 0.13555008628085785
Energy: 0.1352923520226347
Energy: 0.17467654417977493
Energy: 0.17420152492355276
Energy: 0.13540900525338856
Energy: 0.3795565040718361
Energy: 0.17418518375121764
Energy: 0.13528030184661774
Energy: 0.005952491139319254
Energy: 0.17423718085022283
Energy: 0.37959360150675026
Energy: 0.006307169884220789
Energy: 0.006396522993977576
Energy: 0.17436571267781864
Energy: 0.13534905934245361

minimum gb energy = 0.005800463691410771 eV
minimum distance =  2.44564184825857 Angstroms
sigma value = 5


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

Energy: 2.138813583914247
Energy: 1.3114521735599896
Energy: 1.6508365338107682
Energy: 1.3898749230747796
Energy: 1.259678218805565
Energy: 1.3613451565257915
Energy: 1.1815232313165411
Energy: 1.2677320188604244
Energy: 1.3143181293950148
Energy: 1.3631892381592008
Energy: 1.3110553698693306
Energy: 1.2893791786800786
Energy: 1.361685574487845
Energy: 1.3650723563782718
Energy: 1.2415722680266035
Energy: 1.2939655027896455
Energy: 1.285897246760148
Energy: 1.2463693765993782
Energy: 1.3177696122297813
Energy: 1.2880589763090937
Energy: 1.2634650440623056
Energy: 1.2549726586402157
Energy: 1.2811869602731385
Energy: 1.2617680104037792
Energy: 1.2613158713360944
Energy: 1.2844107476582025
Energy: 1.2708793826996618
Energy: 1.2522583626425885
Energy: 1.3113302731200462
Energy: 1.252929809357439
Energy: 1.2555002996267886
Energy: 1.2528132814323771
Energy: 1.2652473577047592
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Energy: 1.2531750050958668
Energy: 1.272437259061557
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Energy: 1.2592397800400323
Energy: 1.2450519787698728
Energy: 1.2502305483881988
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Energy: 1.2500072934375264
Energy: 1.2691317919291782
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Energy: 1.265282183552661
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Energy: 1.3314111144544947
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Energy: 1.3332049960280787
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Energy: 1.3140449156335974
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Energy: 1.386927938085027
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Energy: 1.3489781352208223
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Energy: 1.2311576548089025
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Energy: 1.3248705176596605
Energy: 1.2814130218730555
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Energy: 1.3765982652224347
Energy: 1.3396563361848726
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Energy: 1.2927742338233579
Energy: 1.3723767353908563
Energy: 1.2501035483852811
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Energy: 1.1904548777034245
Energy: 1.1996067297603201
Energy: 1.2378084680901462
Energy: 1.2607621831427118
Energy: 1.2078681134396059
Energy: 1.238396945785496
Energy: 1.2922289842146726
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Energy: 1.2677970015143083
Energy: 1.2533073166331576
Energy: 1.2064454516043008
Energy: 1.2509747690336959
Energy: 1.2538345365831216
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Energy: 1.2279022778793531
Energy: 1.2483462506313223
Energy: 1.2220418769345636
Energy: 1.1995044155537473
Energy: 1.2467255868361378
Energy: 1.2136039709046813
Energy: 1.3563153803520396
Energy: 1.2603144868220084
Energy: 1.263203696500926
Energy: 1.2798813186489755
Energy: 1.2676693836359398
Energy: 1.3084258666706676
Energy: 1.2924063316739827
Energy: 1.2997713454218873
Energy: 1.3272504162989913
Energy: 1.2547034736460732
Energy: 1.2493429860963083
Energy: 1.3191107178025085
Energy: 1.361649832730865
Energy: 1.2430087414992852
Energy: 1.2665412327583232
Energy: 1.3458653107590381
Energy: 1.2743364065640272
Energy: 1.2421782376866382
Energy: 1.359162062505868
Energy: 1.3829120121668261
Energy: 1.2324516667781589
Energy: 1.3320254796031281
Energy: 1.3543303682649848
Energy: 1.3977757733979799
Energy: 1.2547855218571609
Energy: 1.3281814058704502
Energy: 1.3701159311497704
Energy: 1.2351747112583638
Energy: 1.2825964947703343
Energy: 1.2721542805215835
Energy: 1.408070652029888
Energy: 1.2484207523077389
Energy: 1.2533340218121225
Energy: 1.415260147965921
Energy: 1.2907037486462454

minimum gb energy = 1.166489843790761 eV
minimum distance =  2.29613589486966 Angstroms
sigma value = 401


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

Energy: 1.7809431377981126
Energy: 1.4397095136770877
Energy: 1.7893843109995087
Energy: 1.3819804621462741
Energy: 1.4923248184289808
Energy: 2.0313500177438675
Energy: 1.2321366799306248
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Energy: 1.2428331425827954
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Energy: 1.2541669486439042
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Energy: 1.3418236571437874
Energy: 1.3541556020418448
Energy: 1.2805731628208188
Energy: 1.3759226590195148
Energy: 1.3391521224076408
Energy: 1.2953749561503118
Energy: 1.2893175410661875
Energy: 1.3206808512540729
Energy: 1.3699831370125348
Energy: 1.2902383076453317
Energy: 1.2981981677491605
Energy: 1.3531079548736826
Energy: 1.302876629182162
Energy: 1.2808810439752203
Energy: 1.3424605439240724
Energy: 1.3789474501868877
Energy: 1.26292088626411
Energy: 1.3316979757139638
Energy: 1.2830913904825845
Energy: 1.2221599406794597
Energy: 1.3786217354104902
Energy: 1.4708662461024304
Energy: 1.2536906203226117
Energy: 1.3652776276212524
Energy: 1.424114066833566
Energy: 1.359656660431936
Energy: 1.2293816618824904
Energy: 1.2410981993697374
Energy: 1.3079741718344475
Energy: 1.2133970037790864
Energy: 1.3958402203970701
Energy: 1.3147169304574349
Energy: 1.25268487502675
Energy: 1.2329109069300563
Energy: 1.3696816742491058
Energy: 1.4762547237760724
Energy: 1.2380527769060674
Energy: 1.3774839420087477
Energy: 1.4043270090663627
Energy: 1.3936272005047892
Energy: 1.3289511417579725
Energy: 1.340715248231529
Energy: 1.3615076434360174
Energy: 1.4228596670830824
Energy: 1.2870936854664468
Energy: 1.3406915265284571
Energy: 1.4123040571064676
Energy: 1.2869491433616271
Energy: 1.3361286477667322
Energy: 1.4187399099009566
Energy: 1.4105483198591133
Energy: 1.3400566645270178
Energy: 1.371252759396829
Energy: 1.3832038006368512
Energy: 1.3553034719210257
Energy: 1.3096103063934224
Energy: 1.3507307695813702
Energy: 1.3892533924340547
Energy: 1.286127081031466
Energy: 1.4092661132923598
Energy: 1.267437000352652
Energy: 1.2315036007934421
Energy: 1.2703518321232328
Energy: 1.2943206676169474
Energy: 1.2294534877292531
Energy: 1.2648893724430401
Energy: 1.2522103493116525
Energy: 1.2286682412815715
Energy: 1.250883989837099
Energy: 1.2580092116201933
Energy: 1.2797354046633986
Energy: 1.258053207965426
Energy: 1.2492179284563432
Energy: 1.244237297038848
Energy: 1.22215017320218
Energy: 1.2275443846067977
Energy: 1.3369929894852004
Energy: 1.2864888617169064
Energy: 1.2290744789489574
Energy: 1.2866304801427173
Energy: 1.2870821637121181
Energy: 1.26482080637795
Energy: 1.3283137420490665
Energy: 1.3709003976807042
Energy: 1.3048469427506446
Energy: 1.323982690632417
Energy: 1.4164713503427517
Energy: 1.3038329815093332
Energy: 1.3785500862668043
Energy: 1.3837460932799728
Energy: 1.3719935509926462
Energy: 1.25947460212235
Energy: 1.3299712220532467
Energy: 1.5723604156244373
Energy: 1.3020366711359426
Energy: 1.2646729963451215
Energy: 1.3015756177139577
Energy: 1.3927977702038317
Energy: 1.2820280503897512
Energy: 1.2387991333321628
Energy: 1.4007284020118629
Energy: 1.285945104896928
Energy: 1.1825768592183765
Energy: 1.2405412212492044
Energy: 1.4339608761886944
Energy: 1.2067234680331398
Energy: 1.2048632751606227
Energy: 1.261003274477814
Energy: 1.3107359561315512

minimum gb energy = 1.17357895980783 eV
minimum distance =  2.30460363575898 Angstroms
sigma value = 311


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

Energy: 1.6350154987865309
Energy: 1.4281795619759658
Energy: 1.3887435497107083
Energy: 1.375132721817894
Energy: 1.449761042026854
Energy: 1.6894826456865109
Energy: 1.6889517200491977
Energy: 1.322677674724078
Energy: 1.2258416214835455
Energy: 1.2077521618508558
Energy: 1.237896551586338
Energy: 1.2177330096851726
Energy: 1.3192640547424224
Energy: 1.4104820936507008
Energy: 1.2425709088704098
Energy: 1.2043915251735662
Energy: 1.232003338720338
Energy: 1.2520779955488646
Energy: 1.2359308084677378
Energy: 1.3407158279226876
Energy: 1.3091613189820424
Energy: 1.2734530836324507
Energy: 1.3287078254272382
Energy: 1.3128729470991216
Energy: 1.3116490464096575
Energy: 1.3582121264223312
Energy: 1.4120316882629085
Energy: 1.3497856709736602
Energy: 1.2930952730615484
Energy: 1.2806790763249662
Energy: 1.2777207628190241
Energy: 1.2711443991149984
Energy: 1.2665418861824311
Energy: 1.3805400371035335
Energy: 1.2754211884569087
Energy: 1.378415056271011
Energy: 1.3708339681860273
Energy: 1.3851582627889383
Energy: 1.3959077878267598
Energy: 1.3747815591944317
Energy: 1.37851356378027
Energy: 1.3846873693786772
Energy: 1.370026724800817
Energy: 1.3886775075400557
Energy: 1.4100992330581108
Energy: 1.403163003662777
Energy: 1.3772932633029464
Energy: 1.3593236130567872
Energy: 1.3801644845687238
Energy: 1.3774416105258658
Energy: 1.3812809314443553
Energy: 1.3526574600469266
Energy: 1.3839103083347049
Energy: 1.2517690008391273
Energy: 1.239919317405389
Energy: 1.2706793953358388
Energy: 1.364010156528966
Energy: 1.2453487416710338
Energy: 1.2493396239421106
Energy: 1.2710158136015097
Energy: 1.3462293303844373
Energy: 1.2241545650309946
Energy: 1.3395637738904917
Energy: 1.3798397363197952
Energy: 1.440494666843741
Energy: 1.4681736484770351
Energy: 1.5094799333389606
Energy: 1.3506588666612656
Energy: 1.3184630566865938
Energy: 1.392738364644829
Energy: 1.3728339296403325
Energy: 1.2413685096956721
Energy: 1.3711637247948054
Energy: 1.2645733953272378
Energy: 1.2985385030522925
Energy: 1.2476150938797512
Energy: 1.3418777245815263
Energy: 1.3711115610239049
Energy: 1.3888223947423421
Energy: 1.4252804982954792
Energy: 1.3774066855590428
Energy: 1.378783517166923
Energy: 1.3904378635080972
Energy: 1.4242327209375725
Energy: 1.347012347817318
Energy: 1.3866567144783293
Energy: 1.4195798613821216
Energy: 1.4154588023974426
Energy: 1.3613102615668096
Energy: 1.4498942444407976
Energy: 1.4047457771138798
Energy: 1.2917665215739709
Energy: 1.2575125980191575
Energy: 1.2803436329015696
Energy: 1.25435370266887
Energy: 1.285601903127368
Energy: 1.2516541004432928
Energy: 1.249604835837769
Energy: 1.3384052554887307
Energy: 1.2666412161779632
Energy: 1.3542542000416808
Energy: 1.280359585683945
Energy: 1.3327405812192012
Energy: 1.3618750444256489
Energy: 1.3118411412814448
Energy: 1.3569032018189404
Energy: 1.3341493238238762
Energy: 1.3328705949155788
Energy: 1.370731865637289
Energy: 1.3276335243611561
Energy: 1.3734937292138474
Energy: 1.3327800192703396
Energy: 1.3117997253600562
Energy: 1.295737624982111
Energy: 1.2872924059525508
Energy: 1.248988671732861
Energy: 1.2868874718265084
Energy: 1.2936498656205169
Energy: 1.271432328916856
Energy: 1.3732491974911458
Energy: 1.393133655247574
Energy: 1.4037721790505902
Energy: 1.3544453560438703
Energy: 1.4007511452659587
Energy: 1.418397725885813
Energy: 1.3476889921061792
Energy: 1.3692014097425071
Energy: 1.435115438898188
Energy: 1.3999339038299445
Energy: 1.3594194289841997
Energy: 1.3903939773633296
Energy: 1.377660865881828
Energy: 1.339782212842449
Energy: 1.3420271761595424
Energy: 1.277256647209352
Energy: 1.3846943984084887
Energy: 1.215762243336431
Energy: 1.2727094285768317
Energy: 1.270643577975284
Energy: 1.295333225849151
Energy: 1.3564347058076545
Energy: 1.4906129387708915
Energy: 1.4580838659619784
Energy: 1.4816798041468684
Energy: 1.3501938273279015
Energy: 1.4001263239038515
Energy: 1.396732865550333
Energy: 1.3431579233234878
Energy: 1.2649212808917063
Energy: 1.369602815517118
Energy: 1.3800496980013017
Energy: 1.3281755941690423
Energy: 1.3937672607217537
Energy: 1.4187932490018949
Energy: 1.3533072113760491
Energy: 1.3967019370925244
Energy: 1.4282118959235637
Energy: 1.3332959829028719
Energy: 1.276337617760641
Energy: 1.2589140680359767
Energy: 1.2684773657997856
Energy: 1.3747210775069545
Energy: 1.3916829833414839
Energy: 1.437052435109406
Energy: 1.4243382830614606
Energy: 1.3936656120133173
Energy: 1.4321474814264645
Energy: 1.4729754360745146
Energy: 1.3383751829764043
Energy: 1.376565599619357
Energy: 1.41468249742934
Energy: 1.426035757254967
Energy: 1.383752859510835
Energy: 1.4186713775274276
Energy: 1.4129054932744134
Energy: 1.273663036820428
Energy: 1.238623027263278
Energy: 1.270747254781754
Energy: 1.2670811467942444
Energy: 1.2632256825084551
Energy: 1.237155902907545
Energy: 1.2591761284724334
Energy: 1.3536501597521395
Energy: 1.3285580222937385
Energy: 1.304544141357033
Energy: 1.411941994889781
Energy: 1.3538178624048212
Energy: 1.2903995587023724
Energy: 1.417861038885926
Energy: 1.3581044773827136
Energy: 1.2857782705335432
Energy: 1.3159483615392282
Energy: 1.3739346342184764
Energy: 1.335961192281857
Energy: 1.2776521828817957
Energy: 1.4129490441165422
Energy: 1.3418272495194812
Energy: 1.2605994482054694
Energy: 1.2691796636215409
Energy: 1.2906917896751688
Energy: 1.3946815696523602
Energy: 1.3486175104730946
Energy: 1.4099972439124415
Energy: 1.3506325443433704
Energy: 1.3745214798008047
Energy: 1.3709626603246072
Energy: 1.395365308290605
Energy: 1.4114690219378245
Energy: 1.3825460537503553
Energy: 1.4180008653899276
Energy: 1.3792360253577371
Energy: 1.3888961776084727
Energy: 1.387913721390156
Energy: 1.3976898733101233
Energy: 1.3706897952435735
Energy: 1.38417986867833
Energy: 1.3951119531998666
Energy: 1.3264834348859553
Energy: 1.232841043797046
Energy: 1.3772284244095538
Energy: 1.2503096190462928
Energy: 1.2525230830561465
Energy: 1.2755132455335438
Energy: 1.3056028673000384
Energy: 1.348548956750768
Energy: 1.4136889167122504
Energy: 1.4121881286982787
Energy: 1.4491800156339731
Energy: 1.3414965625507929
Energy: 1.4108530492051377
Energy: 1.3993205868912764
Energy: 1.331383367113133
Energy: 1.297286737537803
Energy: 1.3353389700197094
Energy: 1.2559080077731677
Energy: 1.2348349439155566
Energy: 1.39601977422729
Energy: 1.419693767678045
Energy: 1.351648074273571
Energy: 1.3315246422910216
Energy: 1.3616439109509808
Energy: 1.379074134911798
Energy: 1.3547751037052587
Energy: 1.4005778354587888
Energy: 1.3977024245914575
Energy: 1.3897428961665435
Energy: 1.349743773871503
Energy: 1.4116310795518199
Energy: 1.407734294106825
Energy: 1.422933634995672
Energy: 1.4886502158789117
Energy: 1.4498596973719482

minimum gb energy = 1.2043915251735662 eV
minimum distance =  2.26545545654319 Angstroms
sigma value = 39


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

Energy: 1.4547868682749996
Energy: 1.4356899949778723
Energy: 1.3234114481819488
Energy: 1.4356013383377892
Energy: 1.4358255554986514
Energy: 1.4635088264233849
Energy: 1.4359010154442513
Energy: 1.3707500458220296
Energy: 1.3037155600910386
Energy: 1.3178208269424363
Energy: 1.353713847592175
Energy: 1.3100049733933905
Energy: 1.3248159956244114
Energy: 1.3178481171533518
Energy: 1.2938721050523816
Energy: 1.291138890682633
Energy: 1.318504742936999
Energy: 1.310021073250394
Energy: 1.3040506101921245
Energy: 1.3063824918036575
Energy: 1.3113565083950607
Energy: 1.3797985999647389
Energy: 1.2215004592277938
Energy: 1.3753233439981227
Energy: 1.3438727952231162
Energy: 1.3506623770438249
Energy: 1.2224807908555289
Energy: 1.3598085145449714
Energy: 1.259551069977685
Energy: 1.2579960771962686
Energy: 1.270428188512241
Energy: 1.3011969495032245
Energy: 1.2694064335680044
Energy: 1.2706072271968851
Energy: 1.2954001146469913
Energy: 1.2898040801661617
Energy: 1.2328102204470597
Energy: 1.266856985159058
Energy: 1.2584884598893797
Energy: 1.3020507432958814
Energy: 1.279685538824297
Energy: 1.2401386536394685
Energy: 1.276096259635256
Energy: 1.2278388102997597
Energy: 1.2784198371698896
Energy: 1.2799737720253717
Energy: 1.32241167289927
Energy: 1.2647293849515273
Energy: 1.2673276261335595
Energy: 1.2670919228320217
Energy: 1.3094837966342374
Energy: 1.327276232194574
Energy: 1.2505852786170149
Energy: 1.306440093347721
Energy: 1.3263915502786678
Energy: 1.2800474922825456
Energy: 1.3299247100332208
Energy: 1.3444983118056633
Energy: 1.3218755982144696
Energy: 1.3693991088180308
Energy: 1.3342862515587774
Energy: 1.4290406184241775
Energy: 1.368426916722179
Energy: 1.3053636142218097
Energy: 1.3048293990394007
Energy: 1.452100187213225
Energy: 1.3773408432235017
Energy: 1.3133587702461695
Energy: 1.4325783447838685
Energy: 1.3691117334512148
Energy: 1.2634343655448745
Energy: 1.2713326470901658
Energy: 1.2711315004921497
Energy: 1.2959467557806343
Energy: 1.2601180178330713
Energy: 1.2791850851930968
Energy: 1.3194484031503153
Energy: 1.2763127441883497
Energy: 1.2193362563618388
Energy: 1.2739820265012456
Energy: 1.293788912247397
Energy: 1.272619257832138
Energy: 1.2739720249424913
Energy: 1.313358552041124
Energy: 1.3763068613520533
Energy: 1.4497907149091527
Energy: 1.4845910657631212
Energy: 1.3628144473554993
Energy: 1.481134711733513
Energy: 1.19572306575857
Energy: 1.4165417193167131
Energy: 1.2656719905922782
Energy: 1.2937104989603267
Energy: 1.2875625888662563
Energy: 1.2837561302269518
Energy: 1.2980721249980025
Energy: 1.251591808649173
Energy: 1.2876511998073668
Energy: 1.3706189306703622
Energy: 1.328081859072462
Energy: 1.4788659554122996
Energy: 1.353519210158511
Energy: 1.324813294991165
Energy: 1.4215022464989255
Energy: 1.2993778370425053
Energy: 1.4547157568760847
Energy: 1.3496690014842367
Energy: 1.30898326269435
Energy: 1.4358660067999556
Energy: 1.4358811723570168
Energy: 1.3427179884095704
Energy: 1.435931165717981
Energy: 1.281822293946079
Energy: 1.303758676557513
Energy: 1.318089840028937
Energy: 1.353692433978282
Energy: 1.3215081271538018
Energy: 1.324863340061188
Energy: 1.3264942405096884
Energy: 1.2938397172026341
Energy: 1.2910544848525072
Energy: 1.2962459450558477
Energy: 1.3102727333177886
Energy: 1.3041291076618613
Energy: 1.306845066069178
Energy: 1.3113792793621488
Energy: 1.380371527904769
Energy: 1.2215711358336252
Energy: 1.375415025228667
Energy: 1.3438806439998168
Energy: 1.3506842241745853
Energy: 1.2227680455333874
Energy: 1.3604242116211527
Energy: 1.2590705855071196
Energy: 1.2676847490902197
Energy: 1.2704304100724515
Energy: 1.3011298350545133
Energy: 1.2516764382463388
Energy: 1.2708447365523539
Energy: 1.2813087212330905
Energy: 1.2831350556012013
Energy: 1.23282694755873
Energy: 1.2672932059972817
Energy: 1.2603404986195925
Energy: 1.2329297228383467
Energy: 1.2796762792270506
Energy: 1.249573067966766
Energy: 1.2758591567452524
Energy: 1.227944387071496
Energy: 1.2782493307562806
Energy: 1.2797732744215267
Energy: 1.3221513578377928
Energy: 1.2646448290522645
Energy: 1.2672715548061522
Energy: 1.2672102063694468
Energy: 1.3092791464105127
Energy: 1.3272551226533926
Energy: 1.2504458005457348
Energy: 1.3062983907701162
Energy: 1.3263103020496168
Energy: 1.2798888995073303
Energy: 1.3298201908957548
Energy: 1.344701125112784
Energy: 1.4668568286290007
Energy: 1.3290094442632359
Energy: 1.3318000274659114
Energy: 1.4495213164075826
Energy: 1.368048821853205
Energy: 1.3053165194338117
Energy: 1.304827747239896
Energy: 1.4529839679813474
Energy: 1.377462859618213
Energy: 1.3049958438237952
Energy: 1.4435455501096839
Energy: 1.3690402287456855
Energy: 1.2633462617180458
Energy: 1.2712717433691456
Energy: 1.2711017988058255
Energy: 1.2961904534729616
Energy: 1.2600993922985626
Energy: 1.2791190130391143
Energy: 1.3095468721090424
Energy: 1.310694377827818
Energy: 1.2197700846736979
Energy: 1.2716536622893415
Energy: 1.2937375730388303
Energy: 1.2723188829625045
Energy: 1.2522825899034358
Energy: 1.369558953768013
Energy: 1.3755178219296824
Energy: 1.4498258547165948
Energy: 1.4355827504333973
Energy: 1.3630649314012295
Energy: 1.4730054080913715
Energy: 1.1958683171440163
Energy: 1.4165671593146356
Energy: 1.2656464392189781
Energy: 1.2937140538870668
Energy: 1.2874331580557183
Energy: 1.2837221652835802
Energy: 1.2983640957856981
Energy: 1.251678516608128
Energy: 1.2899252732872186
Energy: 1.3706215094238128
Energy: 1.3451084341791286
Energy: 1.4788380880621936
Energy: 1.353530025684126
Energy: 1.3286731300762804
Energy: 1.4217844624108942
Energy: 1.2998267206331835

minimum gb energy = 1.19572306575857 eV
minimum distance =  2.30781437821209 Angstroms
sigma value = 21


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

Energy: 1.637036425070398
Energy: 1.2156251406932683
Energy: 1.237465903701894
Energy: 1.2356565218830386
Energy: 1.239647505934956
Energy: 1.3430448222741136
Energy: 1.2600183398324096
Energy: 1.2438519524789229
Energy: 1.242955229254472
Energy: 1.2343207125490767
Energy: 1.2529270140371076
Energy: 1.219702630424175
Energy: 1.2349530383201712
Energy: 1.2514297159008605
Energy: 1.250844618429421
Energy: 1.1770278995061627
Energy: 1.1862021066306925
Energy: 1.2472224016221611
Energy: 1.2208168936615542
Energy: 1.2195162947917315
Energy: 1.244348435448456
Energy: 1.2467225707182132
Energy: 1.2131177407892255
Energy: 1.1769646922722694
Energy: 1.2530690101756445
Energy: 1.2558039169657558
Energy: 1.1711823122935183
Energy: 1.2530466483067637
Energy: 1.2029308057960724
Energy: 1.129824381571219
Energy: 1.1876820001247748
Energy: 1.1968070460812708
Energy: 1.178769689112743
Energy: 1.1769588775204547
Energy: 1.1768944706224627
Energy: 1.1823697689276864
Energy: 1.1479816708151165
Energy: 1.2162446394011377
Energy: 1.191740592671014
Energy: 1.1899236600432939
Energy: 1.1599644235959987
Energy: 1.1923118002119208
Energy: 1.155420669962767
Energy: 1.1890831301911513
Energy: 1.0791722281168896
Energy: 1.171482577283631
Energy: 1.1841024054622544
Energy: 1.116435697067898
Energy: 1.1511989238709377
Energy: 1.1705122835602222
Energy: 1.1553531415983944
Energy: 1.21120140693124
Energy: 1.194523920140872
Energy: 1.1595670494682733
Energy: 1.1740298795716708
Energy: 1.1594279340146714
Energy: 1.1117764564203443
Energy: 1.1143173193190914
Energy: 1.1955583766840108
Energy: 1.1317994624350134
Energy: 1.105633268356909
Energy: 1.1679853515114953
Energy: 1.1524386388215633
Energy: 1.0242594247253385
Energy: 1.023693163177084
Energy: 1.200719743445545
Energy: 1.0958214808077948
Energy: 1.0240645591585542
Energy: 1.202710134114513
Energy: 1.1047001690887788
Energy: 1.1460660876065083
Energy: 1.165971932793588
Energy: 1.1637493343707292
Energy: 1.1741142881093827
Energy: 1.139577552933809
Energy: 1.1697886756752547
Energy: 1.1463201208296963
Energy: 1.1561977443630207
Energy: 1.1695902286429338
Energy: 1.172347983004144
Energy: 1.1604726222437327
Energy: 1.1687947496494389
Energy: 1.160850316582063
Energy: 1.1445203069274321
Energy: 1.1134936316844994
Energy: 1.1919334856436832
Energy: 1.0502684797031066
Energy: 1.0979764871750302
Energy: 1.2017477788192792
Energy: 1.0236811555100838
Energy: 1.0883166498418007
Energy: 1.1587659184070094
Energy: 1.1106311735191836
Energy: 1.0418943385278747
Energy: 1.0903643465417316
Energy: 1.2056834491314774
Energy: 1.0823525550824582
Energy: 1.0924074955103158
Energy: 1.190097387023783
Energy: 1.1497561783898171
Energy: 1.132579830630914
Energy: 1.1432016731935384
Energy: 1.1758064216915831
Energy: 1.1213331510605062
Energy: 1.1437375334657771
Energy: 1.15850853628789
Energy: 1.1164095845908573
Energy: 1.1835792887019316
Energy: 1.171370941098136
Energy: 1.1140135895099608
Energy: 1.1744032800291615
Energy: 1.1716361988826494
Energy: 1.1439040454433782
Energy: 1.1485530124637298
Energy: 1.1845228393973546
Energy: 1.1778759856767553
Energy: 1.2037551478343538
Energy: 1.1798356708805315
Energy: 1.1755771374647523
Energy: 1.1770699418214954
Energy: 1.1891774078095607
Energy: 1.21558271301732
Energy: 1.1969791876470226
Energy: 1.1863027792175211
Energy: 1.182176410178304
Energy: 1.196657478502191
Energy: 1.2174699486444829
Energy: 1.1711239244203306
Energy: 1.2038378336857325
Energy: 1.2487031816508982
Energy: 1.1709426039167736
Energy: 1.1899858094571643
Energy: 1.2022011490744862
Energy: 1.232966310841214
Energy: 1.2534566937242013
Energy: 1.2790054671890199
Energy: 1.2444677097895211
Energy: 1.2355306203571403
Energy: 1.1964371040801074
Energy: 1.2476517276288015
Energy: 1.2371424727246072
Energy: 1.1925313304614984
Energy: 1.2430434625313982
Energy: 1.250121365224987
Energy: 1.2205917862637343
Energy: 1.187970855291164
Energy: 1.2465334320536097
Energy: 1.2227710971231016
Energy: 1.3375785436207646
Energy: 1.243560824309142
Energy: 1.2441568159413068
Energy: 1.2449512919061922
Energy: 1.2150894144964504
Energy: 1.2443165568030035
Energy: 1.2460840320861981
Energy: 1.248912240573175
Energy: 1.244105197669982
Energy: 1.244230001363399
Energy: 1.2633962439034552
Energy: 1.1842669178762322
Energy: 1.2436440755615263
Energy: 1.2510565058837175
Energy: 1.2549073628566902
Energy: 1.2452067522431984
Energy: 1.2501193410873044
Energy: 1.2458223720274624
Energy: 1.2438367004984074
Energy: 1.2473419279410476
Energy: 1.2436911610815964
Energy: 1.257655461621185
Energy: 1.2739277172282197
Energy: 1.2440355984431424
Energy: 1.2444399793012493
Energy: 1.1835904621707172
Energy: 1.253972886593293

minimum gb energy = 1.0236811555100838 eV
minimum distance =  2.29943463850751 Angstroms
sigma value = 113


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

Energy: 1.6662230840161085
Energy: 1.1306566608820106
Energy: 1.0817561007842202
Energy: 1.053318282287163
Energy: 1.0534713678985401
Energy: 1.103052363884112
Energy: 1.0884532705959675
Energy: 1.0918527294855758
Energy: 1.0619165297811506
Energy: 1.0559894919464996
Energy: 1.0886351040010445
Energy: 1.066700180222892
Energy: 1.0570426630911085
Energy: 1.121415249030584
Energy: 1.094300523067555
Energy: 1.0294479125268199
Energy: 1.059362901657961
Energy: 1.1165252918395765
Energy: 1.0603501440762277
Energy: 1.0674982250910545
Energy: 1.085854010203643
Energy: 1.1451710213814175
Energy: 1.059339132252373
Energy: 1.0389228801789383
Energy: 1.0043425393228136
Energy: 1.0099983700230513
Energy: 1.0389432409777646
Energy: 1.0862103902051172
Energy: 0.9495444092346145
Energy: 1.0211123166801217
Energy: 1.0595279061015048
Energy: 1.0574978725248787
Energy: 1.0639449716715237
Energy: 1.0290753199503877
Energy: 1.0506979766595803
Energy: 0.9870133837294437
Energy: 1.012732702158121
Energy: 1.0204562655345149
Energy: 1.0715082652286643
Energy: 1.007661896738023
Energy: 1.0162491207320694
Energy: 1.0591415941849942
Energy: 1.0145464350011302
Energy: 1.1518160871610041
Energy: 0.9860375898985183
Energy: 1.0295801458797484
Energy: 1.029759463953078
Energy: 1.0130948093452203
Energy: 1.0261426369087663
Energy: 1.008953197038498
Energy: 0.9774513729530488
Energy: 1.0413825274347168
Energy: 1.0097935246511691
Energy: 0.9992296394122006
Energy: 1.0423659859671524
Energy: 0.9822588934040779
Energy: 1.001895118844129
Energy: 0.999920219160716
Energy: 1.0304019255338304
Energy: 1.0161552858593266
Energy: 0.9982074825726617
Energy: 1.0386462973074102
Energy: 0.9910750765254467
Energy: 0.9516133618681677
Energy: 0.9671141229706718
Energy: 1.0216113445383603
Energy: 0.9968426640173623
Energy: 0.964452109765855
Energy: 1.031477503422536
Energy: 0.9733638082365004
Energy: 0.9965148168913265
Energy: 1.0180871647245737
Energy: 1.0060586591062328
Energy: 0.9883239430994504
Energy: 0.9890921979169922
Energy: 1.0092655416447571
Energy: 1.0112526349350648
Energy: 1.015393078896485
Energy: 0.9985487912145005
Energy: 0.9698761735092332
Energy: 0.9826498133662718
Energy: 1.006148419698799
Energy: 0.9651933628885647
Energy: 0.9755578134903583
Energy: 0.9729231924988552
Energy: 0.995960656620236
Energy: 0.9405569537307942
Energy: 0.9571013032919706
Energy: 1.0149820491350854
Energy: 0.9481046980368333
Energy: 0.9653696500642397
Energy: 0.9749505202859607
Energy: 0.9516205668912202
Energy: 0.9480892425209178
Energy: 0.9634034285115763
Energy: 1.0294170662441215
Energy: 0.9501572112144083
Energy: 0.9514311870601332
Energy: 0.9578688068881548
Energy: 0.9921967377342344
Energy: 0.9698294581005715
Energy: 0.976259065398719
Energy: 0.9695193017462911
Energy: 0.9729924914689245
Energy: 0.978330894957533
Energy: 0.930254981181128
Energy: 0.9415458763689819
Energy: 0.9682042855348193
Energy: 0.9487648463444083
Energy: 0.9322907975413218
Energy: 0.9461890280011063
Energy: 0.9568520916153708
Energy: 0.9501690152428359
Energy: 0.9539436421456715
Energy: 0.9572400238183263
Energy: 0.9649336059856274
Energy: 0.9536022263942014
Energy: 0.9577204932449833
Energy: 0.9661704492798032
Energy: 0.9591467596436618
Energy: 0.9589362174876194
Energy: 0.9932627864883972
Energy: 0.9733582057252428
Energy: 0.9609131910015257
Energy: 0.9801816356944384
Energy: 0.9817883021217071
Energy: 0.9319609829200919
Energy: 0.9577880515344147
Energy: 0.9917460931938564
Energy: 0.9673598236336277
Energy: 0.9473995875178425
Energy: 0.9748123695409385
Energy: 0.9703508874590661
Energy: 0.902689590876892
Energy: 0.8883871786162143
Energy: 0.9900800032001223
Energy: 0.9188515473251405
Energy: 0.8840979191160232
Energy: 0.9809778446454639
Energy: 0.923806738313744
Energy: 0.9541118430298515
Energy: 0.9711894855103387
Energy: 0.9786674342118002
Energy: 0.9693195835659182
Energy: 0.968217586867555
Energy: 0.9807521101791826
Energy: 0.9801471569079147
Energy: 0.969593558620847
Energy: 0.9727429571677018
Energy: 0.9697290324450023
Energy: 0.9547130978005516
Energy: 0.9756716586244482
Energy: 0.9702819602121032
Energy: 0.957076598316402
Energy: 0.9447440084930295
Energy: 0.9822555546744963
Energy: 0.9003946425594047
Energy: 0.9187678239540004
Energy: 0.9811807603599708
Energy: 0.8987017994461026
Energy: 0.9220706301942035
Energy: 0.9987415423158831
Energy: 0.9667019093039255
Energy: 0.9467858456935038
Energy: 0.9668798088951508
Energy: 0.9865302238403958
Energy: 0.9679336387762414
Energy: 0.9403956571847727
Energy: 1.0065996943859898
Energy: 0.981865154945015
Energy: 0.9601540897452236
Energy: 0.9756351431718824
Energy: 0.9895480830941502
Energy: 0.9585544311730222
Energy: 0.96851540698469
Energy: 0.9334791825403224
Energy: 0.940159947158276
Energy: 0.9538325564634241
Energy: 0.9477636090627272
Energy: 0.943171983131394
Energy: 0.9546831126219764
Energy: 0.9487708042349443
Energy: 0.9435947264296071
Energy: 0.9506523337711758
Energy: 0.9399816581814099
Energy: 0.9422073928631087
Energy: 0.9547392110205208
Energy: 0.9510293126911148
Energy: 0.9272642827933475
Energy: 0.9651915460740494
Energy: 0.9751095450318643
Energy: 0.9962698803678892
Energy: 0.9765051085383429
Energy: 0.9683683115675282
Energy: 0.9916330648539647
Energy: 0.9602990171945246
Energy: 0.9479643522194147
Energy: 0.9497988229237607
Energy: 0.9949215013833606
Energy: 0.9608882836475606
Energy: 0.9474211999925611
Energy: 1.015574630603007
Energy: 0.9639013427504642
Energy: 0.9327750918716942
Energy: 0.9520214021671799
Energy: 1.0179687198460452
Energy: 0.9617795681684052
Energy: 0.9280952925570664
Energy: 1.016117743784612
Energy: 0.9594158650371469
Energy: 0.95119753878006
Energy: 0.9649548779863447
Energy: 1.0170287775752442
Energy: 0.9932587241453487
Energy: 0.9610605764672814
Energy: 0.9908908768516594
Energy: 0.9950015644329869
Energy: 1.027211787557847
Energy: 1.0009983266321674
Energy: 0.9880695290339165
Energy: 1.0112296762068191
Energy: 1.0171258184882976
Energy: 0.9974089628513242
Energy: 0.9890090362868372
Energy: 0.9937363744232329
Energy: 1.0108306127281637
Energy: 0.967628563757372
Energy: 1.0012024467774103
Energy: 1.0297200182997233
Energy: 0.9664853063286254
Energy: 1.006743526161766
Energy: 1.060000265632689
Energy: 1.0253966406779615
Energy: 0.9988468373508383
Energy: 1.0144698011380822
Energy: 1.0549712511389688
Energy: 0.9949757732340658
Energy: 0.9943204937719314
Energy: 1.0323847502081018
Energy: 1.0414824525945
Energy: 1.022522736934453
Energy: 0.9965386708465498
Energy: 1.015318053354213
Energy: 1.0000326208968382
Energy: 1.0198587541599338
Energy: 0.9851493023587329
Energy: 1.0128544444099987
Energy: 1.0297001788860987
Energy: 0.9858523765065431
Energy: 1.0395359902066725
Energy: 1.0296447008263612
Energy: 1.0321067169591638
Energy: 1.0339939794412538
Energy: 1.0321049361823118
Energy: 1.0101473715954132
Energy: 1.0573606671308846
Energy: 1.0570801672749726
Energy: 1.007843948070762
Energy: 1.0250526228125778
Energy: 1.0473555969811734
Energy: 1.0211348909044506
Energy: 1.0325086700794057
Energy: 1.0515436454209393
Energy: 1.0380940546209156
Energy: 1.0651351775978788
Energy: 1.0656522411317373
Energy: 1.0469024453115172
Energy: 1.1597972237443268
Energy: 1.1978149139664265
Energy: 1.0695758630219687
Energy: 1.035375340642801
Energy: 1.018682459531906
Energy: 1.1772549828196737
Energy: 1.0477981699551244
Energy: 1.0620331000996843
Energy: 1.0375376882709566
Energy: 1.073364858201344
Energy: 1.058377384928501
Energy: 1.0291395742883946
Energy: 1.1208971983114377
Energy: 1.0503058152942109
Energy: 1.0538170039352839
Energy: 1.092549684757934
Energy: 1.0831542255312958
Energy: 1.0581068839961387
Energy: 1.049577861517447
Energy: 1.092868229860917
Energy: 1.0347171460682272
Energy: 1.1416303194410218
Energy: 1.0670351109487974
Energy: 1.0468625924968473
Energy: 1.0094589357464194
Energy: 1.0653884871169614
Energy: 1.117580993334838
Energy: 1.0993860716426642
Energy: 1.0467562589768546
Energy: 1.0574815602782504
Energy: 1.124647005454753
Energy: 1.05397934919385
Energy: 1.0687650065544736
Energy: 1.093835488395088
Energy: 1.0855583468006653
Energy: 1.072100657821837
Energy: 1.058925530485246
Energy: 1.0893379788230897
Energy: 1.0590211707759791
Energy: 1.0594155853431313
Energy: 1.1248230098875427
Energy: 1.0887969836137994
Energy: 1.147834813165405
Energy: 1.0117955582594915
Energy: 1.0621137439602797
Energy: 1.0649966324593387
Energy: 1.019370579277177
Energy: 1.0267668878507528

minimum gb energy = 0.8840979191160232 eV
minimum distance =  2.29708221484643 Angstroms
sigma value = 365


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

Energy: 1.2189013646821705
Energy: 1.1524956741743901
Energy: 1.1525696742216767
Energy: 1.3313070540974483
Energy: 1.332263637605722
Energy: 1.331948049350915
Energy: 1.2021777199554975
Energy: 0.7821042202304062
Energy: 0.3830698962838916
Energy: 0.38297810370643787
Energy: 0.3829450010230689
Energy: 0.382915791191625
Energy: 0.3830014723348432
Energy: 0.38307546132507575
Energy: 0.4033077765199173
Energy: 0.38319146379584007
Energy: 0.3830435572108103
Energy: 0.3829378165000798
Energy: 0.38289839093266703
Energy: 0.3829824505211385
Energy: 0.3831831941720522
Energy: 1.1394772733438867
Energy: 1.0657313295832993
Energy: 1.1927065764685134
Energy: 1.1931970784387653
Energy: 1.192752238998065
Energy: 1.1926882999357677
Energy: 1.1922916250289548
Energy: 1.1392072730229215
Energy: 1.1385325659705412
Energy: 1.057661071003381
Energy: 1.0576104052800213
Energy: 1.19352752010929
Energy: 1.0574287018122355
Energy: 1.0578361107421161
Energy: 0.4032798559282463
Energy: 0.383173517650765
Energy: 0.3830598719461854
Energy: 0.3829433826835949
Energy: 0.3829972687361201
Energy: 0.3830294440945063
Energy: 0.3830173841470906
Energy: 1.1392880347378536
Energy: 1.0576076962395502
Energy: 1.1928344540705067
Energy: 1.1932826742634846
Energy: 1.1931004400721434
Energy: 1.1932305194080366
Energy: 1.0576116667566617
Energy: 1.1394176623208256
Energy: 1.057421586213533
Energy: 1.1925068448783298
Energy: 1.193522318573389
Energy: 1.1934498713299277
Energy: 1.1928766565107074
Energy: 1.0575242451254663
Energy: 0.40325043788498055
Energy: 0.38304663363102326
Energy: 0.3830262914425056
Energy: 0.38292128402861203
Energy: 0.38297444189397956
Energy: 0.38301095606761354
Energy: 0.3830027529110431
Energy: 1.139344758661312
Energy: 1.1382241100776345
Energy: 1.0578056625953511
Energy: 1.0576821178594988
Energy: 1.0575858186487017
Energy: 1.0577565001493219
Energy: 1.1384985034508828
Energy: 1.1393529872038182
Energy: 1.065811327861406
Energy: 1.192557000740751
Energy: 1.1927396482313048
Energy: 1.1928756768931816
Energy: 1.1924322320249152
Energy: 1.1922345246447243
Energy: 0.40341630486661406
Energy: 0.3830970734273641
Energy: 0.3830127495826655
Energy: 0.3829636250776757
Energy: 0.38287028158815267
Energy: 0.38295874077890063
Energy: 0.38307176964837075
Energy: 0.4032706739161588
Energy: 0.383043173056914
Energy: 0.3830471350632687
Energy: 0.3829445952394687
Energy: 0.38296134933450526
Energy: 0.38296950464187424
Energy: 0.38309757847618614
Energy: 1.0656325800708977
Energy: 1.0657198403660322
Energy: 1.1944392671463717
Energy: 1.1942240171885137
Energy: 1.1936831797002063
Energy: 1.1939906740560948
Energy: 1.149778430926213
Energy: 1.1393669919006508
Energy: 1.1387136372759505
Energy: 1.1384518458368833
Energy: 0.38295435089238145
Energy: 0.3829962147167983
Energy: 0.38297886447797713
Energy: 1.1381998869414411
Energy: 0.4034843185186635
Energy: 0.38316650411094055
Energy: 0.38297845440166056
Energy: 0.38296789034800693
Energy: 0.3828990577591636
Energy: 0.38296848792311694
Energy: 0.3831014283513863
Energy: 1.0658172788454072
Energy: 1.0572402432363635
Energy: 1.1925088833391821
Energy: 1.1926960983225932
Energy: 1.1931238063637406
Energy: 1.193086914384443
Energy: 1.1925151509277996
Energy: 1.139046576420564
Energy: 1.1384522613043682
Energy: 1.0577662738722449
Energy: 1.1932067227359169
Energy: 1.1933684114058638
Energy: 1.0575629639838555
Energy: 1.0577760289732026
Energy: 0.403410103547849
Energy: 0.38321181954822564
Energy: 0.3830534879119935
Energy: 0.7541781050423686
Energy: 0.7540934482325508
Energy: 0.38305785748531845
Energy: 0.38307088341182094
Energy: 1.1392453008654286
Energy: 1.057651994242586
Energy: 1.0575804473738704
Energy: 1.1931423286248315
Energy: 1.193387638098848
Energy: 1.192774595351763
Energy: 1.0576638725946252

minimum gb energy = 0.38287028158815267 eV
minimum distance =  2.39210966196689 Angstroms
sigma value = 23