Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.05170973565640122
Energy: 0.054865929333184384
Energy: 1.3258556382288966
Energy: 0.054865929333184384
Energy: 0.05486592933915897
Energy: 1.6846255933198377
Energy: 0.05486592933915897
Energy: 1.6846255933258123
Energy: 1.325855638234871
Energy: 0.054865929333184384
Energy: 0.051709735662375814
Energy: 0.05486592933915897
Energy: 0.054865929333184384
Energy: 1.6846255933258123
Energy: 0.054865929333184384
Energy: 1.6846255933258123

minimum gb energy = 0.05170973565640122 eV
minimum distance =  2.55155063575221 Angstroms
sigma value = 1


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

Energy: 1.0178501974949181
Energy: 1.2521588795096708
Energy: 0.6095044057006259
Energy: 1.2521588795022605
Energy: 0.968436778622864
Energy: 1.1034901183470647
Energy: 0.8565678081393187
Energy: 1.1034901183248331
Energy: 0.6357679490071603
Energy: 1.2264173206314029
Energy: 0.9396217239076246
Energy: 1.2264173206314029
Energy: 0.7305504792041921
Energy: 1.1833695313949737
Energy: 0.9617690780826129
Energy: 1.1833695313949737
Energy: 0.8209268642919006
Energy: 1.2714703494869428
Energy: 0.8897968395885071
Energy: 1.2714703494721218
Energy: 0.8417736362988272
Energy: 1.4714148780787824
Energy: 0.7949721549423797
Energy: 1.4714148780787824
Energy: 0.8749621202709504
Energy: 1.251529722405916
Energy: 0.8401083135766443
Energy: 1.251529722405916
Energy: 0.6752337607768889
Energy: 1.2507283521922854
Energy: 0.7355048219322476
Energy: 1.2507283521848747
Energy: 0.9623530028255224
Energy: 1.4289608012244301
Energy: 0.8386012989597327
Energy: 1.4289608012392512
Energy: 0.7580005837966033
Energy: 1.225328092825173
Energy: 0.6240853522737804
Energy: 1.225328092825173
Energy: 0.7433904299918959
Energy: 1.1198971783757
Energy: 0.9629435014541918
Energy: 1.1198971783460576
Energy: 0.72838978209998
Energy: 1.2509541973449259
Energy: 0.8689830625960792
Energy: 1.2509541973449259
Energy: 0.8053352985167631
Energy: 1.2268108925534262
Energy: 0.8768053716295794
Energy: 1.2268108925534262
Energy: 0.940030440285181
Energy: 1.29094329058394
Energy: 0.877902604901602
Energy: 1.29094329058394
Energy: 0.8765370994006938
Energy: 1.2921107382199384
Energy: 0.9786443753517339
Energy: 1.2921107382199384
Energy: 0.9032383762542434
Energy: 1.2975614355649105
Energy: 0.972914923750483
Energy: 1.297561435572321
Energy: 0.9424089154397097
Energy: 1.224734869547516
Energy: 0.7914747288073981
Energy: 1.224734869547516
Energy: 0.8576331337384343
Energy: 1.0654787959330176
Energy: 0.8560504640849352
Energy: 1.0654787959257417
Energy: 0.6560614657157647
Energy: 1.2512360283182362
Energy: 0.8358268036570359
Energy: 1.2512360283182362
Energy: 0.8749617672547575
Energy: 1.2967902589769815
Energy: 0.9631332453893217
Energy: 1.2967902589769815
Energy: 0.7889307818755434
Energy: 1.2243652314618574
Energy: 0.6574125789641994
Energy: 1.2243652314618574
Energy: 0.962632439966264
Energy: 1.3632768087620222
Energy: 0.8192440585919466
Energy: 1.3632768087620222
Energy: 0.8716558052978862
Energy: 1.2721664505190375
Energy: 0.7511219653926581
Energy: 1.2721664505190375
Energy: 0.8534416267766511
Energy: 1.2451920362469435
Energy: 0.8361481773067573
Energy: 1.2451920362469435
Energy: 0.8430723274904647
Energy: 1.4964862099145504
Energy: 0.8545907183564123
Energy: 1.4964862099071397
Energy: 0.818064195796369
Energy: 1.252596166302186
Energy: 0.6818870709743023
Energy: 1.2525961662947755
Energy: 0.7336408897010582
Energy: 1.4523442023427005
Energy: 0.9629459282861585
Energy: 1.4523442023352895
Energy: 0.6363194305133273
Energy: 1.224455410014595
Energy: 0.8633731975407272
Energy: 1.2244554100220055
Energy: 0.9660149693096228
Energy: 1.1088395500576846
Energy: 0.8071316967677504
Energy: 1.1088395500650952
Energy: 0.9677777630929757
Energy: 1.2527446974788532
Energy: 0.7072698205159609
Energy: 1.252744697471443
Energy: 0.9679364169105833
Energy: 1.289779967738096
Energy: 0.857865627834984
Energy: 1.289779967738096
Energy: 0.8568711789331823
Energy: 1.228832853090654
Energy: 0.9378334393575615
Energy: 1.228832853090654
Energy: 0.8222003088405047
Energy: 1.3010531691408305
Energy: 0.959987847417565
Energy: 1.3010531691408305

minimum gb energy = 0.6095044057006259 eV
minimum distance =  2.23025650520914 Angstroms
sigma value = 1


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

Energy: 1.3107101164425858
Energy: 1.4286485948299847
Energy: 0.7495685100839967
Energy: 1.4286485948299847
Energy: 1.0268783185877042
Energy: 1.276771962379358
Energy: 1.059334642578788
Energy: 1.2767719623878073
Energy: 0.6709245512239311
Energy: 1.4122455190975476
Energy: 0.9450598100167235
Energy: 1.4122455190975476
Energy: 0.9422215942669073
Energy: 1.267475355283072
Energy: 0.9000631752167814
Energy: 1.267475355283072
Energy: 0.9424739194486379
Energy: 1.36541462185761
Energy: 0.8753848405947939
Energy: 1.36541462185761
Energy: 0.9492566553784157
Energy: 1.357928301092073
Energy: 0.8565231840680135
Energy: 1.3579283010836236
Energy: 0.9728429604628798
Energy: 0.8934812598671278
Energy: 1.066450785540052
Energy: 0.8934812598671278
Energy: 0.6810579479858166
Energy: 1.3953625556784186
Energy: 0.819967880146318
Energy: 1.3953625556699691
Energy: 1.0105860160265974
Energy: 1.8991569739092706
Energy: 0.7567105865259827
Energy: 1.8991569739092706
Energy: 0.910473221460077
Energy: 1.3946423923967692
Energy: 0.6979798072792229
Energy: 1.3946423923967692
Energy: 0.9623929804881669
Energy: 1.2056342670095201
Energy: 0.8570606630794295
Energy: 1.2056342669505284
Energy: 0.8469566931975531
Energy: 1.419297724346052
Energy: 0.8975247285614467
Energy: 1.419297724346052
Energy: 1.100906004386707
Energy: 1.3940330729532682
Energy: 0.896926365025345
Energy: 1.3940330729532682
Energy: 1.100395426734112
Energy: 1.3968278381643051
Energy: 0.9125590966359602
Energy: 1.3968278381643051
Energy: 0.8466832192352679
Energy: 1.4188304968207928
Energy: 0.9746556129306077
Energy: 1.4188304968207928
Energy: 0.9620278894554926
Energy: 1.2080599064051905
Energy: 1.067988509416249
Energy: 1.2080599064136397
Energy: 0.9179757512693654
Energy: 1.3947626341552626
Energy: 0.6949200925104717
Energy: 1.3947626341552626
Energy: 1.0062114148943022
Energy: 1.8990385489338493
Energy: 0.7577354878590682
Energy: 1.8990385489338493
Energy: 0.6816088825027575
Energy: 1.4122686627619199
Energy: 0.8166875684957294
Energy: 1.4122686627534704
Energy: 0.973321847211169
Energy: 1.3225952018499165
Energy: 0.8877809756631353
Energy: 1.3225952018499165
Energy: 0.949623972459406
Energy: 1.357739248010769
Energy: 0.8559835499768182
Energy: 1.357739248010769
Energy: 0.943220023314607
Energy: 1.3575057427528299
Energy: 0.879566413438374
Energy: 1.3575057427528299
Energy: 0.9440877823519319
Energy: 1.270798077310932
Energy: 1.0666005030156356
Energy: 1.270798077310932
Energy: 0.6796966874405238
Energy: 1.4104533083550619
Energy: 0.9360508928176338
Energy: 1.4104533083635111
Energy: 1.0254265929259387
Energy: 1.277405702362462
Energy: 1.0596573454461455
Energy: 1.2774057023540126
Energy: 1.310710116434137
Energy: 1.4286485948299847
Energy: 0.751995854534238
Energy: 1.4286485948299847
Energy: 1.0268783185961534
Energy: 1.2767719623624594
Energy: 1.0593346425872372
Energy: 1.2767719623624594
Energy: 0.6709245512154819
Energy: 1.4122455190890981
Energy: 0.8959031549376764
Energy: 1.4122455190975476
Energy: 0.9422215942753566
Energy: 1.267475355283072
Energy: 0.9000631752083321
Energy: 1.2674753552746225

minimum gb energy = 0.6709245512154819 eV
minimum distance =  2.2819591821767 Angstroms
sigma value = 25


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

Energy: 1.1849135991652666
Energy: 1.5110883606369354
Energy: 0.7963379959078332
Energy: 1.5110883606418466
Energy: 1.1409115229559288
Energy: 1.235166233407802
Energy: 1.0965524663459223
Energy: 1.2351662334107485
Energy: 0.7860840891596255
Energy: 1.5853521244804498
Energy: 1.1555062798168976
Energy: 1.5853521244824142
Energy: 1.0478551032391517
Energy: 1.4041221098426007
Energy: 0.9778032137051724
Energy: 1.404122109834743
Energy: 1.021128004370154
Energy: 1.5311236121180303
Energy: 0.9869846710670946
Energy: 1.531123612117048
Energy: 1.1058207480036062
Energy: 1.5930636443434267
Energy: 1.0651314833896761
Energy: 1.593063644344409
Energy: 0.9592760480828025
Energy: 1.2060855082242694
Energy: 1.083121201501067
Energy: 1.206085508222305
Energy: 0.7602778252802656
Energy: 1.547901344002081
Energy: 0.9601124832168269
Energy: 1.5479013440030633
Energy: 1.0803568345003367
Energy: 1.3086937397499805
Energy: 0.9449556507904909
Energy: 1.3086937397490874
Energy: 1.0703560975239579
Energy: 1.5909683215765766
Energy: 1.0406917730793377
Energy: 1.5909683215755945
Energy: 0.9776976356401209
Energy: 1.5130157260849186
Energy: 1.1876924864163267
Energy: 1.5130157260750965
Energy: 0.8648950533828759
Energy: 1.5055784674819468
Energy: 1.1683945137121303
Energy: 1.5055784674819468
Energy: 1.129377047826366
Energy: 1.5726207384498705
Energy: 0.9221963254557503
Energy: 1.5726207384488884
Energy: 1.0880121389285409
Energy: 1.1565309519028146
Energy: 0.9675808356277502
Energy: 1.1565309519028146
Energy: 0.8605315579722592
Energy: 1.5432943788872764
Energy: 0.9235931806760206
Energy: 1.5432943788882587
Energy: 1.05555629993739
Energy: 1.340610718313671
Energy: 1.0188093747900477
Energy: 1.3406107183117064
Energy: 0.8498715974154183
Energy: 1.5878447784448408
Energy: 0.8389415251954094
Energy: 1.5878447784448408
Energy: 1.0087506231376107
Energy: 1.372344180173401
Energy: 0.9758003415964953
Energy: 1.372344180169472
Energy: 0.9808522527475113
Energy: 1.4966726493628084
Energy: 1.0103194431297564
Energy: 1.4966726493608442
Energy: 1.088206661352922
Energy: 1.591516263386252
Energy: 1.1162245002818743
Energy: 1.5915162633842876
Energy: 1.1169416085153898
Energy: 1.2802041445622738
Energy: 1.1981416235787445
Energy: 1.2802041445573626
Energy: 1.207035658356944
Energy: 1.511864208407787
Energy: 0.9284320915224434
Energy: 1.511864208408769
Energy: 1.135116237045955
Energy: 1.2158439908675305
Energy: 1.0986859403660738
Energy: 1.2158439908636016
Energy: 0.7780527856058866
Energy: 1.5817136891936392
Energy: 1.0983599139330946
Energy: 1.5817136891926569
Energy: 0.9812795788849022
Energy: 1.335330223982806
Energy: 0.9790438135655835
Energy: 1.3353302241506757

minimum gb energy = 0.7602778252802656 eV
minimum distance =  2.23573572910391 Angstroms
sigma value = 9


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

Energy: 1.3122972297282987
Energy: 1.5890765233282156
Energy: 0.9629616212589257
Energy: 1.589076523330559
Energy: 1.24381597127955
Energy: 1.4047597581185567
Energy: 1.3140763136395437
Energy: 1.4047597581185567
Energy: 0.9744272242004663
Energy: 1.5999836762975954
Energy: 1.2216303365882877
Energy: 1.5999836763022823
Energy: 1.326723467412889
Energy: 1.4333049332263348
Energy: 1.0465209126970842
Energy: 1.4333049332286782
Energy: 1.3343389468742535
Energy: 1.4691984662244582
Energy: 1.231854191601839
Energy: 1.469198466220943
Energy: 0.938721147149643
Energy: 1.5997125933441783
Energy: 1.1339655300475229
Energy: 1.5997125933418348
Energy: 1.325838127377706
Energy: 1.538207383506288
Energy: 1.0480074465172127
Energy: 1.5382073835109749
Energy: 0.9832265727275192
Energy: 1.6069936191996192
Energy: 1.0330107375080289
Energy: 1.606993619196104
Energy: 1.3456152402701642
Energy: 1.4705639719676074
Energy: 1.2480097485340282
Energy: 1.470563972061238
Energy: 1.3359571519513302
Energy: 1.5974624946467457
Energy: 1.1320441730236825
Energy: 1.5974624946467457
Energy: 1.1565086258603292
Energy: 1.5549511763379193
Energy: 1.2193089666674106
Energy: 1.5549511763379193
Energy: 1.3299832472259583
Energy: 1.4554698549069516
Energy: 1.0486838066650528
Energy: 1.4554698549057798
Energy: 0.9391166912145179
Energy: 1.600581047208221
Energy: 0.9383546830884502
Energy: 1.600581047208221
Energy: 1.3842019356767068
Energy: 2.2075066954322495
Energy: 1.254134737217791
Energy: 2.207506695431077
Energy: 0.938955292685004
Energy: 1.600263666491148
Energy: 0.8983329280838033
Energy: 1.6002636665110672
Energy: 1.3232025970688694
Energy: 1.3720138012408332
Energy: 1.0487610892482486
Energy: 1.3720138012408332
Energy: 1.156349377631798
Energy: 1.5547313020040339
Energy: 1.1257442293829103
Energy: 1.5547313020075493
Energy: 1.3399722037264399
Energy: 1.5965263751513923
Energy: 1.1290693542145078
Energy: 1.5965263751467056
Energy: 1.3455507590720885
Energy: 1.4689391800636669
Energy: 1.2069413501965778
Energy: 1.4689391800660103
Energy: 0.9825378300894944
Energy: 1.5985539750866689
Energy: 1.0331487070552883
Energy: 1.5985539750843256
Energy: 1.3258136205120443
Energy: 1.537553091370383
Energy: 1.0427228295818656
Energy: 1.5375530913715547

minimum gb energy = 0.8983329280838033 eV
minimum distance =  2.29956588069434 Angstroms
sigma value = 25


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

Energy: 1.2719765119809434
Energy: 1.7516826081676513
Energy: 1.1217814995626665
Energy: 1.7516826081691002
Energy: 1.3934007379829585
Energy: 1.5384012366853852
Energy: 1.2970042840611102
Energy: 1.538401236683936
Energy: 1.2870781292668807
Energy: 1.8477527281223602
Energy: 1.1791767231961006
Energy: 1.8477527281238093
Energy: 1.3748172480402718
Energy: 1.4589150338761314
Energy: 1.3595782030334496
Energy: 1.4589150338717845
Energy: 1.1083264397073251
Energy: 1.2314753734329575
Energy: 1.2460080736069838
Energy: 1.231475373422814
Energy: 1.1703331990595283
Energy: 1.7939558562327502
Energy: 1.193147094218292
Energy: 1.7939558562356483
Energy: 1.3097414497774895
Energy: 1.4733399816750903
Energy: 1.1888306421978125
Energy: 1.4733399816750903
Energy: 1.1189574410686356
Energy: 1.7389507604723866
Energy: 1.4377683707809228
Energy: 1.7389507604723866
Energy: 1.1795073011386894
Energy: 1.5533604967504118
Energy: 1.392966539357717
Energy: 1.5533604967533101
Energy: 1.5669983073269163
Energy: 1.6072753285277912
Energy: 1.181148666352962
Energy: 1.6072753285306893
Energy: 1.2666503983630502
Energy: 1.7627082045957156
Energy: 1.017560315552516
Energy: 1.7627082045928177
Energy: 1.30720334470605
Energy: 1.9327305178093044
Energy: 1.3493571109130298
Energy: 1.9327305178310399
Energy: 1.1870910051068337
Energy: 1.8104387587847144
Energy: 1.1681791042500136
Energy: 1.8104387587861634
Energy: 1.4024823843936656
Energy: 1.461760743588361
Energy: 1.3646113107047988
Energy: 1.461760743588361
Energy: 1.324408096171685
Energy: 1.7399511410292696
Energy: 1.1099704264357786
Energy: 1.7399511410307187
Energy: 1.3962233974510034
Energy: 1.6083804942756854
Energy: 1.170005590153542
Energy: 1.6083804942785835
Energy: 1.1873395078550708
Energy: 1.2894734153567884
Energy: 1.5691697299379714
Energy: 1.2894734153582375

minimum gb energy = 1.017560315552516 eV
minimum distance =  2.36040780816569 Angstroms
sigma value = 17


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

Energy: 1.5781293983769602
Energy: 1.5699537906178642
Energy: 1.0910439653567454
Energy: 1.5699537906096575
Energy: 1.314423971818262
Energy: 1.2911830446664456
Energy: 1.279878422764981
Energy: 1.2911830446664456
Energy: 1.2601250076619104
Energy: 1.6622300846835234
Energy: 1.25895852867201
Energy: 1.6622300846835234
Energy: 1.2445265978842937
Energy: 1.5569211147654045
Energy: 1.186066833841691
Energy: 1.5569211147654045
Energy: 1.3146113164119364
Energy: 1.682547725117415
Energy: 1.256311723683344
Energy: 1.682547725117415
Energy: 1.2808491357095504
Energy: 1.6287359785582989
Energy: 1.1325185334731327
Energy: 1.6287359785665054
Energy: 1.2255798055366196
Energy: 1.4260792798692443
Energy: 1.2003636331802665
Energy: 1.4260792798692443
Energy: 1.1668325400112156
Energy: 1.6295737255240201
Energy: 1.2896777409104694
Energy: 1.6295737255240201
Energy: 1.2862516372695554
Energy: 1.6994794076804582
Energy: 1.1367497890974396
Energy: 1.6994794076722517
Energy: 1.276475194732045
Energy: 1.397020220257943
Energy: 1.2493339009361326
Energy: 1.3970202202661495
Energy: 1.2462328502093056
Energy: 1.6694156212447144
Energy: 1.342556528873888
Energy: 1.6694156212365079
Energy: 1.3199079453229166
Energy: 1.455470289651141
Energy: 1.3266016603657322
Energy: 1.455470289651141
Energy: 1.4302786667426142
Energy: 1.4134379747101098
Energy: 1.3873800013557434
Energy: 1.413437974693696
Energy: 1.2510316726368553
Energy: 1.7428439857745095
Energy: 1.3063873559476522
Energy: 1.742843985766303
Energy: 1.2669129107612953
Energy: 1.429473615332881
Energy: 1.271500712106912
Energy: 1.4294736153246743
Energy: 1.208427462011884
Energy: 1.665167985372699
Energy: 1.184640227340126
Energy: 1.665167985372699
Energy: 1.226946714550906
Energy: 1.471053885171745
Energy: 1.2939456845552522
Energy: 1.471053885179952
Energy: 1.1959523770522658
Energy: 1.5366174185496595
Energy: 1.2807464983046994
Energy: 1.5366174185496595
Energy: 1.3375630862190704
Energy: 1.4948051869137684
Energy: 1.34682019162468
Energy: 1.4948051869055614
Energy: 1.321002915328792
Energy: 1.5574059812887284
Energy: 1.2255335146265172
Energy: 1.5574059812887284
Energy: 1.1822896405059709
Energy: 1.6740550953036044
Energy: 1.2124478376302326
Energy: 1.6740550953036044
Energy: 1.279639667489611
Energy: 1.3236845991383241
Energy: 1.2707780827751234
Energy: 1.323684599146531
Energy: 1.1910726069230237
Energy: 1.7207211975101118
Energy: 1.2388099412962994
Energy: 1.7207211975101118
Energy: 1.3460387143838997
Energy: 1.4848133758129933
Energy: 1.2049218268781474
Energy: 1.4848133758129933
Energy: 1.3702841792319727
Energy: 1.6599857248330343
Energy: 1.3251525595499472
Energy: 1.6599857248330343
Energy: 1.0696943442526543
Energy: 1.7158384555604334
Energy: 1.2401117686003438
Energy: 1.7158384555604334
Energy: 1.2477427016980553
Energy: 1.327985511055988
Energy: 1.3874294932649651
Energy: 1.327985511055988
Energy: 1.1509261339700165
Energy: 1.6259572947751748
Energy: 1.2097710904621854
Energy: 1.6259572947751748
Energy: 1.3212684064137887
Energy: 1.5545445377198597
Energy: 1.228797560908204
Energy: 1.5545445377198597
Energy: 1.2907873008300814
Energy: 1.5732344140602035
Energy: 1.2430502773099381
Energy: 1.5732344140602035

minimum gb energy = 1.0696943442526543 eV
minimum distance =  2.27496802162845 Angstroms
sigma value = 53


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

Energy: 1.3141074167415492
Energy: 1.3182572800335735
Energy: 1.003709772145748
Energy: 1.3182572800335735
Energy: 1.4726213948980857
Energy: 1.2985066532609544
Energy: 1.364523233162873
Energy: 1.298506653262844
Energy: 1.2766915028323471
Energy: 1.5518272125892356
Energy: 1.231157245216278
Energy: 1.5518272125892356
Energy: 1.2778904571350325
Energy: 1.551994776977314
Energy: 1.409607666866225
Energy: 1.551994776977314
Energy: 1.470257504709688
Energy: 1.298431121442203
Energy: 1.217725280944238
Energy: 1.298431121442203
Energy: 1.31410741673966
Energy: 1.3182572800316843
Energy: 1.3800805284894
Energy: 1.3182572800335735
Energy: 1.472621394911311
Energy: 1.298506653262844
Energy: 1.288490263981726
Energy: 1.2985066532609544
Energy: 1.2766915028323471
Energy: 1.5518272125892356
Energy: 1.3100692859926069
Energy: 1.5518272125873462
Energy: 1.2778904571369218
Energy: 1.551994776977314
Energy: 1.409607666866225
Energy: 1.551994776977314
Energy: 1.4702575047436963
Energy: 1.298431121440314
Energy: 1.2177252809461274
Energy: 1.298431121440314
Energy: 1.3141074167377707
Energy: 1.3182572800335735
Energy: 1.535063862780805
Energy: 1.3182572800297951
Energy: 1.4726213949188685
Energy: 1.2985066532609544
Energy: 1.3189090297152117
Energy: 1.2985066532609544
Energy: 1.2766915028323471
Energy: 1.551827212585457
Energy: 1.3100692860001644
Energy: 1.5518272125873462

minimum gb energy = 1.003709772145748 eV
minimum distance =  2.28799160487317 Angstroms
sigma value = 9


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

Energy: 1.4473675258902519
Energy: 1.7751238057211172
Energy: 0.9573772346783015
Energy: 1.7751238057211172
Energy: 1.3617193292636656
Energy: 1.3214648656253083
Energy: 1.3581448532066784
Energy: 1.3214648656183154
Energy: 1.2812419691764143
Energy: 1.666040256703186
Energy: 1.2805896048973042
Energy: 1.666040256703186
Energy: 1.1847027214356638
Energy: 1.587848648247316
Energy: 1.2998410145919652
Energy: 1.587848648247316
Energy: 1.2798592801792275
Energy: 1.458956722721356
Energy: 1.2483632787804657
Energy: 1.4589567227423341
Energy: 1.4212679700767141
Energy: 1.4180743299187242
Energy: 1.1427598998890232
Energy: 1.4180743299047387
Energy: 1.234414350764775
Energy: 1.3691286339302997
Energy: 1.2806433229436345
Energy: 1.3691286339512778
Energy: 1.3182138407145445
Energy: 1.6815302113727302
Energy: 1.2587761057882296
Energy: 1.6815302113727302
Energy: 1.2315142522172902
Energy: 1.7218716546396697
Energy: 1.4330494283724386
Energy: 1.7218716546606478
Energy: 1.2354050464670778
Energy: 1.3923435574101128
Energy: 1.363154490201062
Energy: 1.3923435574101128
Energy: 1.3165011190204563
Energy: 1.7899036578907392
Energy: 1.1203616245881611
Energy: 1.7899036579047247
Energy: 1.4295455462922333
Energy: 1.3990150453331067
Energy: 1.2318766315169687
Energy: 1.3990150453331067
Energy: 1.2744059475590017
Energy: 1.8092267451450377
Energy: 1.368535097116045
Energy: 1.8092267451450377
Energy: 1.393903524820627
Energy: 1.7431893765717137
Energy: 1.4536648756509254
Energy: 1.7431893765787063
Energy: 1.2685451283680105
Energy: 1.4933323431033563
Energy: 1.3816470596539634
Energy: 1.4933323431103493
Energy: 1.2769605750398612
Energy: 1.7457737741400194
Energy: 1.145755228672114
Energy: 1.7457737741261612
Energy: 1.3423940657684896
Energy: 1.51198817892467
Energy: 1.2679744271792353
Energy: 1.5119881789036915
Energy: 1.30935619139853
Energy: 1.4260734116264087
Energy: 1.3438972392200441
Energy: 1.4260734116264087
Energy: 1.3374343064510534
Energy: 1.6472286217431829
Energy: 1.4257022608983332
Energy: 1.6472286217500485
Energy: 1.232500250367561
Energy: 1.445350631349649
Energy: 1.3673328074612177
Energy: 1.445350631349649
Energy: 1.17979552611265
Energy: 1.6801322876023495
Energy: 1.1994930469798926
Energy: 1.6801322876023495
Energy: 1.3921026420472586
Energy: 1.4514148807916696
Energy: 1.2357398773790385
Energy: 1.4514148807846772
Energy: 1.4036018960536114
Energy: 1.6251056744721288
Energy: 1.2320090465010647
Energy: 1.625105674465136
Energy: 1.116549007686377
Energy: 1.820200683473055
Energy: 1.3172059981517477
Energy: 1.820200683473055
Energy: 1.3755396635275738
Energy: 1.670562915479316
Energy: 1.2371379494654897
Energy: 1.6705629154653305
Energy: 1.1731184608830754
Energy: 1.6193140614268218
Energy: 1.2837002725372477
Energy: 1.6193140614408073
Energy: 1.3407207749661554
Energy: 1.5686676324232964
Energy: 1.1620399711698701
Energy: 1.568667631955038
Energy: 1.4348182258911237
Energy: 1.5834809694632308
Energy: 1.1855060200021315
Energy: 1.583480969449245
Energy: 1.1886232241472345
Energy: 1.609307677049266
Energy: 1.2533046957374245
Energy: 1.609307677049266
Energy: 1.376123484684889
Energy: 1.6643565612693638
Energy: 1.3383135275992064
Energy: 1.6643565612553783
Energy: 1.3333793432457692
Energy: 1.8278901280683135
Energy: 1.3179760779753376
Energy: 1.8278901280683135
Energy: 1.3578461686425454
Energy: 1.378337160172768
Energy: 1.2360610891583352
Energy: 1.3783371601657752
Energy: 1.3629650014048584
Energy: 1.4431456622562473
Energy: 1.235510647826914
Energy: 1.4431456622562473
Energy: 1.2464153120859303
Energy: 1.7165263231389776
Energy: 1.1722744573373853
Energy: 1.7165263231389776
Energy: 1.2664623258033714
Energy: 1.4510785378680142
Energy: 1.2568408787211325
Energy: 1.4510785378750068

minimum gb energy = 0.9573772346783015 eV
minimum distance =  2.2951250750906 Angstroms
sigma value = 73


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

Energy: 1.5589402861195922
Energy: 1.5063609521768437
Energy: 1.017922631824301
Energy: 1.506360952212346
Energy: 1.4437707209730237
Energy: 1.6789359383697418
Energy: 1.3457811961753374
Energy: 1.6789359383675226
Energy: 1.2526000590816693
Energy: 1.7194966753752525
Energy: 1.3169038657728889
Energy: 1.7194966753708147
Energy: 1.193275421444334
Energy: 1.6185520137615872
Energy: 1.339731767317626
Energy: 1.6185520137593683
Energy: 1.170055153115561
Energy: 1.481438877574759
Energy: 1.31882566657453
Energy: 1.481438877576978
Energy: 1.339532637073704
Energy: 1.6099977091145088
Energy: 1.0959382021504875
Energy: 1.6099977091244941
Energy: 1.5259694442823744
Energy: 1.320899011861108
Energy: 1.27854364417196
Energy: 1.3208990118644361
Energy: 1.2748684721515942
Energy: 1.4146997739556895
Energy: 1.1845503219220384
Energy: 1.4146997739501421
Energy: 1.224167174032331
Energy: 1.4138763910696488
Energy: 1.4430183376810692
Energy: 1.4138763910652108
Energy: 1.247820735630383
Energy: 1.3798999381771089
Energy: 1.2519378946431097
Energy: 1.3798999381771089
Energy: 1.2791268170197658
Energy: 1.5819754532107495
Energy: 1.1710196218065017
Energy: 1.5819754532151875
Energy: 1.3321313956109224
Energy: 1.6391275635536677
Energy: 1.2035700523967292
Energy: 1.6391275635525582
Energy: 1.3463918468586833
Energy: 1.422234074719865
Energy: 1.392477016187947
Energy: 1.4222340747187554
Energy: 1.0470057977391418
Energy: 1.4578685150743402
Energy: 1.339430655479178
Energy: 1.4578685150765593
Energy: 1.166532340167247
Energy: 1.5316802956122395
Energy: 1.3117684123303581
Energy: 1.5316802956144586
Energy: 1.1537590416437309
Energy: 1.6716251230556485
Energy: 1.2752389832729432
Energy: 1.6716251230578676
Energy: 1.4167471742065376
Energy: 1.7180465333128498
Energy: 1.2522675101136596
Energy: 1.7180465333095216
Energy: 1.4981188644162455
Energy: 1.6378727938238773
Energy: 1.2568445098908398
Energy: 1.6378727938238773
Energy: 1.1359705211929438
Energy: 1.5601087740910484
Energy: 1.2741177522224967
Energy: 1.5601087740910484
Energy: 1.3731446192617667
Energy: 1.710357684238102
Energy: 1.6321861234688217
Energy: 1.71035768424254
Energy: 1.229792037190557
Energy: 1.710328826307773
Energy: 1.3367378052431627
Energy: 1.710328826312211
Energy: 1.3200906216305692
Energy: 1.4846257443056061
Energy: 1.1966685952809888
Energy: 1.4846257443089343

minimum gb energy = 1.017922631824301 eV
minimum distance =  2.29783443533936 Angstroms
sigma value = 7


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

Energy: 1.4979470065315874
Energy: 1.493326699335029
Energy: 1.3995213745052766
Energy: 1.493326699335029
Energy: 1.410431079167636
Energy: 1.613253246847649
Energy: 1.3663572701466886
Energy: 1.613253246863339
Energy: 1.293296218341328
Energy: 1.7148217644529076
Energy: 1.212346056726118
Energy: 1.7148217644529076
Energy: 1.1228245504427612
Energy: 1.555549233699493
Energy: 1.366765134685702
Energy: 1.5555492336916479
Energy: 1.2470178860961243
Energy: 1.4776787512344836
Energy: 1.2195230573025053
Energy: 1.4776787512344836
Energy: 1.3224268648987534
Energy: 1.6800423952127639
Energy: 1.10641053015445
Energy: 1.6800423952127639
Energy: 1.2763435726800718
Energy: 1.5228578166982396
Energy: 1.1881506230267045
Energy: 1.5228578166903948
Energy: 1.323103317801665
Energy: 1.4893689010499942
Energy: 1.2448824459782377
Energy: 1.4893689010421491
Energy: 1.2717116321942081
Energy: 1.4662288117400413
Energy: 1.3557373831375055
Energy: 1.4662288117321964
Energy: 1.2573244085746942
Energy: 1.4449150885844901
Energy: 1.2685544985580492
Energy: 1.444915088576645
Energy: 1.1240205101585
Energy: 1.7243439254021158
Energy: 1.2054331197347599
Energy: 1.7243439253785808
Energy: 1.3726644300368271
Energy: 1.4757087717967399
Energy: 1.1787947202066698
Energy: 1.4757087717888948
Energy: 1.5061421074229135
Energy: 1.3331255707001954
Energy: 1.1827921729488846
Energy: 1.3331255707001954
Energy: 1.1923966455024926
Energy: 1.6433380064154886
Energy: 1.2196626085415352
Energy: 1.6433380064154886
Energy: 1.1671663958071303
Energy: 1.3195732370953586
Energy: 1.508409960282577
Energy: 1.3195732370875133
Energy: 1.369552721643776
Energy: 1.460289903763539
Energy: 1.3496514210279578
Energy: 1.460289903747849
Energy: 1.270094139745707
Energy: 1.3948642062750123
Energy: 1.2464454304544257
Energy: 1.3948642062828576
Energy: 1.2269827806030789
Energy: 1.44022729567591
Energy: 1.179074115083435
Energy: 1.44022729567591
Energy: 1.334696662376528
Energy: 1.6844222258808006
Energy: 1.1818408503809796
Energy: 1.6844222258808006
Energy: 1.2571598595231879
Energy: 1.471088081415587
Energy: 1.1784913954116516
Energy: 1.471088081415587
Energy: 1.1302106798208118
Energy: 1.5889119920899426
Energy: 1.355437120236491
Energy: 1.5889119920899426
Energy: 1.253393097255847
Energy: 1.3989101827736237
Energy: 1.2672440605392719
Energy: 1.3989101827030184
Energy: 1.2513556255385134
Energy: 1.6895082224874496
Energy: 1.2543778658760771
Energy: 1.6895082224874496
Energy: 1.5014521094945552
Energy: 1.4863593625840386
Energy: 1.2473267334706637
Energy: 1.4863593625918838
Energy: 1.3509336292433212
Energy: 1.420856325547131
Energy: 1.244461381153039
Energy: 1.420856325547131
Energy: 1.14059886616903
Energy: 1.7046485272676914
Energy: 1.1622596627580166
Energy: 1.7046485272833818
Energy: 1.2470655880121713
Energy: 1.5681753251371686
Energy: 1.2447607208303302
Energy: 1.5681753251371686
Energy: 1.1210840537649613
Energy: 1.4058216415875993
Energy: 1.3068541411066832
Energy: 1.4058216415875993
Energy: 1.3182529814233226
Energy: 1.6735365612371729
Energy: 1.2813584006954766
Energy: 1.6735365612293278
Energy: 1.5517128613633087
Energy: 1.9296105346087324
Energy: 1.365374076940478
Energy: 1.9296105346087324
Energy: 1.3176240331589444
Energy: 1.6718911065122442
Energy: 1.4148944998299606
Energy: 1.6718911064965543

minimum gb energy = 1.10641053015445 eV
minimum distance =  2.30233834160852 Angstroms
sigma value = 29


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

Energy: 1.1372260698702803
Energy: 0.9527802536480028
Energy: 1.552805811338984
Energy: 0.9527802536480028
Energy: 1.029622589659631
Energy: 1.562692862352297
Energy: 1.3124747072438274
Energy: 1.562692862354969
Energy: 1.0931567739751897
Energy: 1.3728774183856245
Energy: 1.0351549972407634
Energy: 1.3728774183909684
Energy: 1.3130194270045632
Energy: 1.7182230579315576
Energy: 1.3123439756805093
Energy: 1.7182230579288857
Energy: 1.3151592180924596
Energy: 1.3322482547064574
Energy: 1.0174313557009595
Energy: 1.3322482547171455
Energy: 0.9687177128827378
Energy: 1.5744619232727437
Energy: 0.9681685187640099
Energy: 1.5744619232727437
Energy: 0.9562239483088474
Energy: 1.3321030452258142
Energy: 1.3147213794807446
Energy: 1.3321030452311582
Energy: 1.3122833125243145
Energy: 1.7180649297687398
Energy: 1.3131242231554139
Energy: 1.7180649297687398
Energy: 1.0353431067031071
Energy: 1.3730874285877845
Energy: 1.0353341027483638
Energy: 1.373087428579769

minimum gb energy = 0.9527802536480028 eV
minimum distance =  2.34371642577559 Angstroms
sigma value = 5


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

Energy: 1.3995440823391712
Energy: 1.3167352874650275
Energy: 1.2566934258254667
Energy: 1.3167352874576168
Energy: 1.2997659106146044
Energy: 1.7691755684492716
Energy: 1.096948438008547
Energy: 1.7691755684492716
Energy: 1.042137049422183
Energy: 1.1997959064578534
Energy: 1.2450700391429563
Energy: 1.1997959064356218
Energy: 1.0108612760491669
Energy: 1.5493645055566043
Energy: 1.3170405563571415
Energy: 1.5493645055714256
Energy: 1.1743850920553665
Energy: 1.3166131204259164
Energy: 1.337609483804975
Energy: 1.3166131204259164
Energy: 0.9659020774662792
Energy: 1.1911096578007592
Energy: 1.1400687474756417
Energy: 1.1911096578007592
Energy: 1.1341348509277245
Energy: 1.341770146144137
Energy: 1.0873688659605203
Energy: 1.341770146144137
Energy: 1.0830296577241358
Energy: 1.4531459160993911
Energy: 1.1389241855782304
Energy: 1.4531459160993911
Energy: 1.1771986937657946
Energy: 1.320803411707181
Energy: 1.0417338950491362
Energy: 1.3208034117145915
Energy: 1.183286671719764
Energy: 1.3091630396480074
Energy: 1.049029014870406
Energy: 1.3091630396480074
Energy: 1.0748210188477194
Energy: 1.767798316759567
Energy: 1.089123719283591
Energy: 1.7677983167669777
Energy: 1.0339711042589963
Energy: 1.5394750382744258
Energy: 1.1612127792174833
Energy: 1.5394750382744258
Energy: 1.1334922860198982
Energy: 1.2735309955746454
Energy: 1.3667829248707137
Energy: 1.273530995582056
Energy: 1.1999414432622484
Energy: 1.5429953061965835
Energy: 1.2619781091965494
Energy: 1.542995306203994
Energy: 1.2536967032232058
Energy: 1.7201288643458326
Energy: 1.137107317191051
Energy: 1.720128864353243
Energy: 1.3090832437492241
Energy: 1.1997531866885245
Energy: 1.1580320447715746
Energy: 1.1997531866885245
Energy: 1.3094117533343186
Energy: 1.5258534132972137
Energy: 1.107900774179808
Energy: 1.5258534136676072
Energy: 1.0877090154006968
Energy: 1.3131669101410193
Energy: 1.074845928970756
Energy: 1.313166910126198
Energy: 1.0900374468140746
Energy: 1.2769750946740213
Energy: 1.1335752431700936
Energy: 1.2769750946740213
Energy: 1.1371128012070029
Energy: 1.6132031709167833
Energy: 1.1460016921611795
Energy: 1.6132031844868826
Energy: 1.011461323475041
Energy: 1.461540108551397
Energy: 1.2235954177741561
Energy: 1.4615401085439865
Energy: 1.179878637300695
Energy: 1.3352956770637645
Energy: 1.187128464933441
Energy: 1.3352956770637645
Energy: 1.0774724565025326
Energy: 1.4515346259353528
Energy: 0.9865993380414402
Energy: 1.4515346259427635
Energy: 1.2618641343458539
Energy: 1.6247216350952194
Energy: 1.1342826157398698
Energy: 1.6247216350878089
Energy: 1.3134550840338108
Energy: 1.2243750770027635
Energy: 1.1397126863912204
Energy: 1.2243750770398165
Energy: 1.1752582374430869
Energy: 1.5117403103126996
Energy: 1.1748086691303623
Energy: 1.5117403103201104
Energy: 1.1098939632730143
Energy: 1.4218197947588693
Energy: 1.1525104678533138
Energy: 1.421819794744048
Energy: 0.9351315378098267
Energy: 1.7984894951367278
Energy: 1.3091758628448282
Energy: 1.7984894951515487
Energy: 1.1342329027883247
Energy: 1.7713906796475976
Energy: 1.347695144676189
Energy: 1.7713906796772398
Energy: 1.3145727318496887
Energy: 1.5449374081204614
Energy: 1.177229826803042
Energy: 1.5449374081056402
Energy: 1.163578328116813
Energy: 1.2615346374865049
Energy: 1.1352040328720996
Energy: 1.2615346374865049
Energy: 1.3797304150760892
Energy: 1.5278705510933297
Energy: 1.0348607502195162
Energy: 1.5278705510785084
Energy: 1.264649673188088
Energy: 1.8028818069991983
Energy: 1.0527536425702355
Energy: 1.8028818069991983

minimum gb energy = 0.9351315378098267 eV
minimum distance =  2.16408973008206 Angstroms
sigma value = 1


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

Energy: 1.2322174589526456
Energy: 1.2237995947440459
Energy: 1.0964461301915613
Energy: 1.2237995947440459
Energy: 1.2777888844684888
Energy: 1.7843439059505097
Energy: 1.1868139035044671
Energy: 1.78434390596383
Energy: 0.9967519048988331
Energy: 1.192666489394297
Energy: 1.536858548713717
Energy: 1.1926664893953216
Energy: 0.9968538133678158
Energy: 1.0852869926020037
Energy: 1.2174243609609954
Energy: 1.0852869927033493
Energy: 0.9647474508200811
Energy: 1.5662357363264594
Energy: 1.3444695241568694
Energy: 1.5662357363274844
Energy: 0.996587280230029
Energy: 1.7784091666143185
Energy: 1.1151418828251745
Energy: 1.7784091666112443
Energy: 0.9620841097365005
Energy: 1.3281311172483203
Energy: 1.1057264962169158
Energy: 1.3281311172524188
Energy: 0.9584874372486885
Energy: 1.5010980732455865
Energy: 1.096059714626379
Energy: 1.5010980732445618
Energy: 1.1710448791193744
Energy: 1.5383195083563928
Energy: 1.0529208214968426
Energy: 1.5383195083574177
Energy: 1.2041831647379786
Energy: 1.2095966454315383
Energy: 1.0961990555607248
Energy: 1.209596645434612
Energy: 0.9590831737468924
Energy: 1.4999631429704663
Energy: 1.0533638702853227
Energy: 1.499963142971491
Energy: 0.9587549933921611
Energy: 1.3278241124745842
Energy: 1.0862241796427436
Energy: 1.3278241124756092
Energy: 0.9966364218776786
Energy: 1.776863301519276
Energy: 1.173884660732885
Energy: 1.776863301519276
Energy: 0.9638358044891231
Energy: 1.5695708576304772
Energy: 1.324154813557679
Energy: 1.569570857631502
Energy: 0.996917597816783
Energy: 1.0868317713062892
Energy: 1.2175760447836794
Energy: 1.0868317712970674
Energy: 0.9956492104438908
Energy: 1.128190184477729
Energy: 1.2356639797391376
Energy: 1.1281901844705564
Energy: 1.2776089319280646
Energy: 1.7819536293826017
Energy: 1.1864934787030563
Energy: 1.7819536293744047
Energy: 1.2322174589505963
Energy: 1.223799594746095
Energy: 1.3546810947630374
Energy: 1.2237995947440459
Energy: 1.2777888844777106
Energy: 1.7843439059566577
Energy: 1.1868139035065164
Energy: 1.784343905949485
Energy: 0.9967519049060055
Energy: 1.1926664893953216
Energy: 1.53685854871884
Energy: 1.1926664893953216
Energy: 0.9968538133596188
Energy: 1.0852869933526879
Energy: 1.2174243609589461
Energy: 1.085286993279939
Energy: 0.9647474508190564
Energy: 1.5662357363264594
Energy: 1.3444695241619924
Energy: 1.5662357363254351
Energy: 0.996587280230029
Energy: 1.7784091666132937
Energy: 1.11514188282415
Energy: 1.778409166612269
Energy: 0.9620841097365005
Energy: 1.328131117249345
Energy: 1.1057264961933493
Energy: 1.3281311172472956

minimum gb energy = 0.9584874372486885 eV
minimum distance =  2.34897668399457 Angstroms
sigma value = 17


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

Energy: 1.2022268127572784
Energy: 1.2264756177906118
Energy: 1.1504513519424173
Energy: 1.2264756177906118
Energy: 1.1809080621695855
Energy: 1.3755757076256308
Energy: 1.1199257452721754
Energy: 1.3755757086322407
Energy: 1.1283286643954946
Energy: 1.0483765677530201
Energy: 1.4261687073579297
Energy: 1.0483765677721346
Energy: 0.9398632564166051
Energy: 1.3326765302485473
Energy: 1.1392248270336538
Energy: 1.3326765302674313
Energy: 1.0671667768912763
Energy: 1.5740040010447525
Energy: 1.3215210882800525
Energy: 1.5740040010447525
Energy: 0.8675679413457548
Energy: 1.5895068697711074
Energy: 1.1737552584954885
Energy: 1.5895068697646595
Energy: 1.1416567854871853
Energy: 1.4204262588943024
Energy: 1.1309593899462185
Energy: 1.4204262589260832
Energy: 0.9732551868834287
Energy: 1.4130758742882281
Energy: 1.0178648959528942
Energy: 1.4130758742882281
Energy: 1.1467413204449972
Energy: 1.4139346267596835
Energy: 1.08200109746479
Energy: 1.4139346267532356
Energy: 1.1371048080742145
Energy: 1.587430611744
Energy: 1.0814376225114708
Energy: 1.5874306117504482
Energy: 1.1048948997176202
Energy: 1.2740796265889172
Energy: 0.9905984455861017
Energy: 1.2740796265700332
Energy: 1.0817343212243764
Energy: 1.1789251083445074
Energy: 1.0127259815003011
Energy: 1.1789251083507253
Energy: 0.8711197436166996
Energy: 1.6432144115177112
Energy: 1.1017265748052967
Energy: 1.6432144115112628
Energy: 1.0725432692037635
Energy: 1.2083629766423902
Energy: 1.1703179914973016
Energy: 1.208362976503293
Energy: 1.0051750871191465
Energy: 1.5324571244571539
Energy: 1.1892480785018795
Energy: 1.5324571244509362
Energy: 1.1002567454686059
Energy: 1.4000824447517095
Energy: 1.375384222989316
Energy: 1.4000824447452611
Energy: 1.0681156384673818
Energy: 1.3346554770851087
Energy: 1.1084020105633365
Energy: 1.3346554770851087
Energy: 1.141795070514077
Energy: 1.159393189004976
Energy: 1.0791910917061327
Energy: 1.15939318899231
Energy: 1.2463169095461613
Energy: 1.773960507156485
Energy: 1.0947047537082504
Energy: 1.773960507156485
Energy: 1.1537200740817108
Energy: 1.1327901305666004
Energy: 1.0528144245443332
Energy: 1.1327901305666004
Energy: 1.1787079077783038
Energy: 1.3714416684547817
Energy: 1.036667874244678
Energy: 1.3714416681319108
Energy: 1.1238030898553786
Energy: 1.5550630721046754
Energy: 1.3547270745280093
Energy: 1.5550630720920091
Energy: 0.9450034719998484
Energy: 1.4152570822374608
Energy: 1.1524747159640645
Energy: 1.415257082243679
Energy: 1.0992295311758855
Energy: 1.5533372492167694
Energy: 1.2422816475783882
Energy: 1.5533372492229873
Energy: 0.9913205710452871
Energy: 1.126778782528487
Energy: 1.1387331695420801
Energy: 1.126778782528487
Energy: 1.0662625060144344
Energy: 1.2029148840237593
Energy: 1.069408972868436
Energy: 1.2029148840428736
Energy: 1.223019928762062
Energy: 1.5648427167209247
Energy: 1.0824014009922105
Energy: 1.5648427166893748
Energy: 1.189048230775104
Energy: 1.5556062127685077
Energy: 1.0158594925463142
Energy: 1.5556062127620598
Energy: 1.1679251031819
Energy: 1.233585739072743
Energy: 1.0546141196986507
Energy: 1.2335857390791913
Energy: 1.0532424196062806
Energy: 1.6216075578343052
Energy: 1.065104126693739
Energy: 1.6216075578343052
Energy: 1.0457366405186976
Energy: 1.2093353803384863
Energy: 1.0395736387851313
Energy: 1.2093353803511526
Energy: 0.9725205184489628
Energy: 1.5383386756995334
Energy: 1.104369915637281
Energy: 1.5383386756995334
Energy: 1.0664257743572543
Energy: 1.6025536939051181
Energy: 1.331443011522942
Energy: 1.6025536938860039
Energy: 1.0746117471998646
Energy: 1.4282112349850575
Energy: 1.1377066721156626
Energy: 1.4282112349912757
Energy: 1.08291141368269
Energy: 1.0827244688421358
Energy: 0.9955408026860729
Energy: 1.08272446886125
Energy: 1.0959577606330204
Energy: 1.3723151479467837
Energy: 1.1183228760592352
Energy: 1.3723151479467837
Energy: 1.1734206862504568
Energy: 1.606664265601732
Energy: 0.8729462542868186
Energy: 1.6066642655952836
Energy: 1.1322565270084217
Energy: 1.577834055542977
Energy: 1.0903232775735703
Energy: 1.577834055542977

minimum gb energy = 0.8675679413457548 eV
minimum distance =  2.2223121878913 Angstroms
sigma value = 89


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

Energy: 1.3054061354896105
Energy: 1.2648917789693834
Energy: 0.5578697299925364
Energy: 1.2648917789693834
Energy: 1.2189272897008956
Energy: 1.008211344411383
Energy: 0.9190120297269777
Energy: 1.008211344414697
Energy: 0.9933874196178772
Energy: 1.5730755040118731
Energy: 1.40557271044038
Energy: 1.5730755040135302
Energy: 0.8192125517961526
Energy: 1.0884359258762824
Energy: 1.048254388354717
Energy: 1.0884359258762824
Energy: 1.0100328615481633
Energy: 1.4563618588968472
Energy: 1.3667317091870266
Energy: 1.456361858890219
Energy: 0.9567934758615143
Energy: 0.9831229880528882
Energy: 0.9626590871228112
Energy: 0.9831229880512312
Energy: 1.0453763592133969
Energy: 1.213478476951274
Energy: 0.9600032657335664
Energy: 1.2134784769496174
Energy: 0.783716639977564
Energy: 1.1723315055142476
Energy: 1.0478654636699338
Energy: 1.1723314972526304
Energy: 1.0495596724219556
Energy: 1.254012916839039
Energy: 0.821999001490112
Energy: 1.254012916842353
Energy: 1.103442398446764
Energy: 0.9553393427853741
Energy: 0.9846738291978966
Energy: 0.9553392846386108
Energy: 1.3194486052551906
Energy: 1.2784068799518697
Energy: 1.0066557928577744
Energy: 1.27840687990728
Energy: 1.3058862865896526
Energy: 1.2110455123841015
Energy: 0.9913457946523165
Energy: 1.2110455123824444
Energy: 1.0253820623133902
Energy: 0.9011237392307039
Energy: 0.7675063760783193
Energy: 0.9011237392307039
Energy: 0.9301621630500867
Energy: 0.984324057797532
Energy: 1.0467732388902944
Energy: 0.9843240577942178
Energy: 0.7612742158246176
Energy: 1.3900104700625042
Energy: 1.012481517474558
Energy: 1.390010470060847

minimum gb energy = 0.5578697299925364 eV
minimum distance =  2.26140716678133 Angstroms
sigma value = 13


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

Energy: 0.9667746570405997
Energy: 1.4295342918023788
Energy: 0.4367213468398758
Energy: 1.4295342918023788
Energy: 0.9934519204576475
Energy: 1.4603578337184242
Energy: 0.8620882784339733
Energy: 1.46035783373926
Energy: 0.9513129507622031
Energy: 1.4746323253644693
Energy: 0.7569123444206568
Energy: 1.4746323253644693
Energy: 0.8629525624025576
Energy: 1.4629419663602032
Energy: 0.901833388522676
Energy: 1.4629419663671483
Energy: 0.9164375371347526
Energy: 1.1810134261385876
Energy: 1.2103062511187805
Energy: 1.1810134261385876
Energy: 0.7205767496051255
Energy: 1.2603569347659977
Energy: 0.9433490686517723
Energy: 1.2603569347868335
Energy: 0.9154955334724678
Energy: 1.6104188096549437
Energy: 1.4368030112591872
Energy: 1.6104188096479983
Energy: 0.6990801513589764
Energy: 1.5145464559790138
Energy: 0.9236526397518107
Energy: 1.5145464559790138
Energy: 0.9089519086932388
Energy: 1.4358076853951258
Energy: 1.1703030362360376
Energy: 1.4358076853812352
Energy: 1.0038442822568443
Energy: 1.6283185042748045
Energy: 0.9088456371769379
Energy: 1.6283185042748045
Energy: 0.8547040963962603
Energy: 1.2250240364803797
Energy: 0.7804119434445345
Energy: 1.2250240364734346
Energy: 1.292662864709206
Energy: 1.427530731810454
Energy: 0.8361784433032391
Energy: 1.427530731810454
Energy: 0.974696522795627
Energy: 1.452835590646739
Energy: 0.7282295361522604
Energy: 1.4528355906397934
Energy: 1.324590530891835
Energy: 1.4756179655043493
Energy: 0.888354126672337
Energy: 1.4756179655112944
Energy: 0.8786376857312674
Energy: 1.4872928734606234
Energy: 0.7006400268561889
Energy: 1.4872928734606234
Energy: 0.8448569179592743
Energy: 1.2521637388448914
Energy: 0.870138747672436
Energy: 1.252163738872673
Energy: 0.859366335200083
Energy: 1.6016142926018475
Energy: 0.8963713383343364
Energy: 1.6016142926018475
Energy: 0.8147534651872865
Energy: 1.43041826515254
Energy: 0.8723893392642686
Energy: 1.430418265159485
Energy: 0.8593856712841298
Energy: 1.5998027556995986
Energy: 0.8803815919209936
Energy: 1.5998027556995986
Energy: 0.8599962575222837
Energy: 1.6008224828486137
Energy: 0.8796889088915623
Energy: 1.600822482855559
Energy: 0.8428983419577024
Energy: 1.428911365939799
Energy: 0.8779796780222767
Energy: 1.4289113659328536
Energy: 0.8586801981668079
Energy: 1.6028378987558862
Energy: 0.8957993782097214
Energy: 1.602837898748941
Energy: 0.844193768828638
Energy: 1.248314446852046
Energy: 0.8706539043494906
Energy: 1.2483144468728822
Energy: 0.8803489738842762
Energy: 1.4914449323372272
Energy: 0.7941220619624251
Energy: 1.4914449323441725
Energy: 1.3244653239400739
Energy: 1.474809799217664
Energy: 0.9280768527149784
Energy: 1.4748097992315545
Energy: 0.9746055153986559
Energy: 1.4512757222260515
Energy: 0.7745103819207999
Energy: 1.4512757222329968
Energy: 1.2917573834467557
Energy: 1.433927064288554
Energy: 0.811860887938524
Energy: 1.43392706430939
Energy: 0.8544071802088387
Energy: 1.222202928761478
Energy: 0.7816357194960436
Energy: 1.222202928761478
Energy: 1.004398287192038
Energy: 1.6307787709621107
Energy: 0.9085135621144362
Energy: 1.6307787709621107
Energy: 0.8570302291633123
Energy: 1.4362891158530622
Energy: 1.2633353550289783
Energy: 1.4362891159223892
Energy: 0.6979579518246728
Energy: 1.514399753143377
Energy: 0.9223364373723348
Energy: 1.514399753143377
Energy: 0.9162877357006546
Energy: 1.6084063469871146
Energy: 1.3907128631824806
Energy: 1.60840634699406
Energy: 0.71953896997094
Energy: 1.2556060303716081
Energy: 0.9433562038910438
Energy: 1.2556060303577177
Energy: 0.9163954183119868
Energy: 1.1811836708813104
Energy: 1.1902650221563198
Energy: 1.1811836708813104
Energy: 0.8623753107373353
Energy: 1.4617370458440366
Energy: 0.9013094236240722
Energy: 1.4617370458440366

minimum gb energy = 0.4367213468398758 eV
minimum distance =  2.1968588952218 Angstroms
sigma value = 37


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

Energy: 0.8733426132897313
Energy: 0.8153487830514454
Energy: 0.4262748122050163
Energy: 0.8153487830502504
Energy: 1.4235031952008834
Energy: 1.2404525757720142
Energy: 0.7587958667925703
Energy: 1.2404525758747773
Energy: 0.7498220058539521
Energy: 1.5856007549601756
Energy: 0.7629029417301387
Energy: 1.5856007549601756
Energy: 0.6980455387968967
Energy: 1.2311595794575407
Energy: 0.7579097158863006
Energy: 1.23115958327965
Energy: 0.7444135308244244
Energy: 1.2173756378617386
Energy: 0.9220795821278553
Energy: 1.2173756385998722
Energy: 0.5748003338340819
Energy: 1.2190323866446289
Energy: 0.7112734642081614
Energy: 1.2190323866504948
Energy: 0.7947237859384757
Energy: 1.645098134101687
Energy: 1.1090011506857416
Energy: 1.6450981340981023
Energy: 0.6403126043879193
Energy: 0.8211946046316217
Energy: 0.8514711466855591
Energy: 0.8211946046316217
Energy: 0.7447879703575999
Energy: 1.3074853845437946
Energy: 1.2408529829668449
Energy: 1.3074853845366254
Energy: 0.8560743406223961
Energy: 1.2297204857319846
Energy: 0.7314684087695572
Energy: 1.229720485722425
Energy: 0.7130397252715246
Energy: 1.7315676047846849
Energy: 0.7501339257841205
Energy: 1.7315676047846849
Energy: 1.187210098834274
Energy: 1.2255269583349968
Energy: 0.6553207617925956
Energy: 1.225526958329022
Energy: 0.7463281486010573
Energy: 1.307164298835058
Energy: 0.585089730542769
Energy: 1.307164298839838
Energy: 1.1586491866909723
Energy: 1.7260245030756398
Energy: 0.7653144914184314
Energy: 1.726024503074445
Energy: 0.8475645052954895
Energy: 0.8760773893556841
Energy: 0.689042021524255
Energy: 0.8760773893592688
Energy: 0.8841911068114641
Energy: 1.3187140440253728
Energy: 0.6569701830659043
Energy: 1.318714044022983
Energy: 0.7363680045096392
Energy: 1.5994585252107472
Energy: 0.5038806915658477
Energy: 1.5994585252095521
Energy: 0.7668174846473736
Energy: 1.7261709142527564
Energy: 0.7672048307903228
Energy: 1.7261709142599262
Energy: 0.7822913354768876
Energy: 1.210943277316639
Energy: 0.7272221272752507
Energy: 1.2109432773190287
Energy: 0.7388393139092593
Energy: 1.3192982354996932
Energy: 0.7388855777891975
Energy: 1.3192982354996932

minimum gb energy = 0.4262748122050163 eV
minimum distance =  2.33952018906739 Angstroms
sigma value = 25


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

Energy: 0.7487049801851565
Energy: 1.3719833529651266
Energy: 0.45038182889113193
Energy: 1.3719833529642784
Energy: 1.3643177335970111
Energy: 1.35906859614264
Energy: 0.6590634031011561
Energy: 1.3590685961324611
Energy: 0.6776499296807849
Energy: 0.6040493671418268
Energy: 0.30883192797288517
Energy: 0.6040493671428449
Energy: 0.881464273424132
Energy: 1.3547910427078218
Energy: 0.6592467099970889
Energy: 1.3547910427571899
Energy: 0.6423402531148228
Energy: 1.343393046654528
Energy: 0.6241903450957457
Energy: 1.3433930466489294
Energy: 0.44627046712564455
Energy: 1.3612498637211343
Energy: 0.6601840856825616
Energy: 1.3612498637118033
Energy: 0.6560982641391051
Energy: 0.9730881386517493
Energy: 0.8406155811354196
Energy: 0.9730881386610799
Energy: 0.2414696335102119
Energy: 1.0644312440721007
Energy: 0.6738533454632928
Energy: 1.0644312440665025
Energy: 0.6426317787254726
Energy: 1.421068998760115
Energy: 1.1368951015782878
Energy: 1.421068998773178
Energy: 0.4727309963451118
Energy: 1.3245886472958448
Energy: 0.7499850067130842
Energy: 1.3245886472742991
Energy: 0.6566669874959231
Energy: 0.9843337114523324
Energy: 1.1557604140368434
Energy: 0.9843337114832086
Energy: 0.382042052689406
Energy: 1.3390900545468862
Energy: 0.6733373513132858
Energy: 1.3390903518398456
Energy: 0.6768276705445343
Energy: 1.4242793075238076
Energy: 0.8065078251626977
Energy: 1.424279307529406
Energy: 0.7815925172817387
Energy: 1.400163962923788
Energy: 0.6566805094197198
Energy: 1.4001639629285383
Energy: 0.67476837168205
Energy: 0.9850590341253083
Energy: 0.5168931618633701
Energy: 0.9850590341271745
Energy: 0.8378917899763347
Energy: 1.4615021117440574
Energy: 0.6764996388352522
Energy: 1.4615021117459237
Energy: 0.6778828282892905
Energy: 1.0394574054015284
Energy: 0.23599478238952828
Energy: 1.039457405412725
Energy: 1.0006974452679485
Energy: 1.445590959838574
Energy: 0.6578263524050204
Energy: 1.445590959837556
Energy: 0.745583287787406
Energy: 1.3007524961292896
Energy: 0.5517502204400944
Energy: 1.3007524961442185
Energy: 1.2221467792865925
Energy: 1.4984258832554636
Energy: 0.6760515938152443
Energy: 1.4984258832778574
Energy: 0.6785030923323683
Energy: 1.448181817602606
Energy: 0.3171880706756261
Energy: 1.4481818176119372
Energy: 0.6476505194735799
Energy: 1.446184411871675
Energy: 0.6582870001525808
Energy: 1.4461844118689609
Energy: 0.6767831884311409
Energy: 1.3944937274501512
Energy: 0.8958891837926042
Energy: 1.3944937274576155
Energy: 0.5507218709781064
Energy: 1.4713900880092852
Energy: 0.6765665635704609
Energy: 1.4713900879868915
Energy: 0.6810946545397909
Energy: 1.4506875061299238
Energy: 0.850438167887447
Energy: 1.4506875061290756
Energy: 0.5443643580247325
Energy: 1.1416579147700698
Energy: 0.648965882796851
Energy: 1.1416579147692214

minimum gb energy = 0.23599478238952828 eV
minimum distance =  2.32152803699231 Angstroms
sigma value = 41


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

Energy: 1.1703573078598615
Energy: 1.1708607703197245
Energy: 0.12598850277106263
Energy: 1.1708607702967753
Energy: 1.332640112491902
Energy: 1.1516548564944702
Energy: 0.5325400614626281
Energy: 1.1516548565021199
Energy: 0.5891630782359217
Energy: 1.1429523374604416
Energy: 0.6359576647054078
Energy: 1.142952337452792
Energy: 0.8399564745879271
Energy: 1.111458762808379
Energy: 0.532741711769491
Energy: 1.1114587628236785
Energy: 0.5384882659189063
Energy: 1.1390328930451168
Energy: 0.4995220450153936
Energy: 1.139032905967375
Energy: 0.5571991216385911
Energy: 1.1177639107573112
Energy: 0.5326936579531253
Energy: 1.1177639107496617
Energy: 0.5714355726629252
Energy: 1.1283260567230993
Energy: 0.5863152473603546
Energy: 1.128326056730749
Energy: 0.4072574827091595
Energy: 0.8617511479409041
Energy: 0.5338756187800247
Energy: 0.8617511555871078
Energy: 0.5468369559040092
Energy: 1.238505469978944
Energy: 0.9280781712584686
Energy: 1.238505469978944
Energy: 0.17035196392874588
Energy: 1.091189094874322
Energy: 0.587499830252188
Energy: 1.0911890948666723
Energy: 0.5708548368675064
Energy: 1.1130551895755856
Energy: 1.1254078581552835
Energy: 1.113055189583235
Energy: 0.3944427816246277
Energy: 1.1381730671983499
Energy: 1.173228462700748
Energy: 1.1381730671830506
Energy: 0.5483666821360518
Energy: 1.2381890298875082
Energy: 1.252929468572359
Energy: 1.2381890298950189
Energy: 0.46838125467060077
Energy: 1.3038159494027033
Energy: 0.5898216830430848
Energy: 1.303815949410353
Energy: 0.5722378973466502
Energy: 1.1121241954417072
Energy: 0.9549586380934103
Energy: 1.1121241954417072
Energy: 0.5990672144198166
Energy: 1.1144832684826445
Energy: 0.5340925890296296
Energy: 1.1144832672210037
Energy: 0.5303012730203422
Energy: 1.2354209238084166
Energy: 0.5815416737644674
Energy: 1.235420923800767
Energy: 0.5404154945614761
Energy: 1.3060633908162713
Energy: 0.532698343993859
Energy: 1.3060633908086217
Energy: 0.5709285114257782
Energy: 0.8666275042218273
Energy: 0.4038068458418973
Energy: 0.8666275035412839
Energy: 0.7449170680380661
Energy: 1.2428676569831862
Energy: 0.5408955724304916
Energy: 1.2428676569755364
Energy: 0.6135283653894631
Energy: 1.2471202624315205
Energy: 0.18362623344175538
Energy: 1.2471202624238709
Energy: 1.1798387030097055
Energy: 1.3615383050731535
Energy: 0.5330162979731081
Energy: 1.3615383050731535
Energy: 1.0916196307561328
Energy: 1.1635478418320495
Energy: 0.36505831448858234
Energy: 1.1635478418396992
Energy: 1.036286477423453
Energy: 1.231903246008689
Energy: 0.5407623898833086
Energy: 1.2319032459857397
Energy: 0.6140236064189274
Energy: 1.2993135425550182
Energy: 0.23470332617393702
Energy: 1.2993135425473683
Energy: 0.9531307933686751
Energy: 1.3235332057800069
Energy: 0.5345860480466322
Energy: 1.323533205772357
Energy: 0.571811313674203
Energy: 1.247875096218162
Energy: 0.6560047585685258
Energy: 1.2478750962258116
Energy: 0.4669624021870209
Energy: 1.2334122564526986
Energy: 0.5401442573798819
Energy: 1.2334122564526986
Energy: 0.5389400585577603
Energy: 1.306141511268571
Energy: 0.7135863486623021
Energy: 1.306141511268571
Energy: 0.3676587313631195
Energy: 1.2827475303758402
Energy: 0.575110111503643
Energy: 1.2827475303911398
Energy: 0.5458469974398574
Energy: 1.2454124686930883
Energy: 0.7377146062557256
Energy: 1.2454124686777892
Energy: 0.23559970409255065
Energy: 1.2339130513609566
Energy: 0.6145239399884312
Energy: 1.2339130513609566

minimum gb energy = 0.12598850277106263 eV
minimum distance =  2.22368877633283 Angstroms
sigma value = 15


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

Energy: 1.0414662686529232
Energy: 1.167368707865931
Energy: 0.10723773898251068
Energy: 1.167368707865931
Energy: 1.3861511593030802
Energy: 1.1042809996174225
Energy: 0.5173767093498586
Energy: 1.10428099961106
Energy: 0.563974476926751
Energy: 1.040860737148341
Energy: 0.4351620625420525
Energy: 1.0408607371417429
Energy: 0.9038762198077664
Energy: 1.106865464739347
Energy: 0.5187940715455398
Energy: 1.1068654647197878
Energy: 0.524163352296304
Energy: 1.174359031118202
Energy: 0.46873815768164606
Energy: 1.174359031118202
Energy: 0.6300381220429014
Energy: 1.100158855573495
Energy: 0.516925924934078
Energy: 1.1001588555798574
Energy: 0.5165393449306235
Energy: 1.0330587358896643
Energy: 0.3775832537318299
Energy: 1.0330587358767036
Energy: 0.402145073669456
Energy: 1.0619851980154744
Energy: 0.5191431882875205
Energy: 1.0619851980218369
Energy: 0.5225043665129632
Energy: 1.180794923180388
Energy: 0.7051826552218439
Energy: 1.180794923180388
Energy: 0.214676261903968
Energy: 1.1067850619174098
Energy: 0.5205385304996634
Energy: 1.1067850623448778
Energy: 0.5161448079227859
Energy: 1.0992680658532816
Energy: 1.0208555477652197
Energy: 1.0992680658598795
Energy: 0.36806565389332474
Energy: 1.0146888335445872
Energy: 0.5600025933808904
Energy: 1.0146888335511857
Energy: 0.5217245570260703
Energy: 1.1795395411115372
Energy: 1.1621668613883074
Energy: 1.1795395411115372
Energy: 0.2123662069702304
Energy: 1.171951889071488
Energy: 1.0373244185680002
Energy: 1.1719518890585272
Energy: 0.5166848628142306
Energy: 1.1020553393285943
Energy: 1.2092280142722118
Energy: 1.1020553393285943
Energy: 0.38299515699795744
Energy: 1.0228429199098048
Energy: 0.5709417325153912
Energy: 1.0228429199034423
Energy: 0.5211096108560878
Energy: 1.178447976648354
Energy: 0.960771609375733
Energy: 1.1784479766419915
Energy: 0.4783489711315309
Energy: 1.1667427629133076
Energy: 0.5184690749022132
Energy: 1.1667427629326306
Energy: 0.517432341889983
Energy: 1.1027240912606975
Energy: 0.7237470719372558
Energy: 1.1027240912606975
Energy: 0.5613790644417955
Energy: 1.0900774364993873
Energy: 0.5180795609123615
Energy: 1.0900774364930246
Energy: 0.5217270331454938
Energy: 1.136289263523103
Energy: 0.46867845794212865
Energy: 1.1362892635101423
Energy: 0.5903760336096628
Energy: 1.1792878698100833
Energy: 0.5269493158636256
Energy: 1.1792878698100833
Energy: 0.5174392154780642
Energy: 1.10295298720092
Energy: 0.2054994535888455
Energy: 1.1029529872138808
Energy: 1.026565344650928
Energy: 1.0909796867685033
Energy: 0.5173483731457543
Energy: 1.090979686774866
Energy: 0.5703061969126186
Energy: 1.1362599439082346
Energy: 0.09402253805076792
Energy: 1.136259943973038
Energy: 1.0336259012975586
Energy: 1.1764461280242677
Energy: 0.5254034396157663
Energy: 1.176446128011307
Energy: 1.0249006580728572
Energy: 1.1596479168443667
Energy: 0.2815506780097137
Energy: 1.1596479168443667
Energy: 1.1948670589793087
Energy: 1.0881455425194497
Energy: 0.5164304144951758
Energy: 1.0881455425258122
Energy: 0.5563096186245227
Energy: 1.2016937417766538
Energy: 0.044556922573774554
Energy: 1.2016937417766538
Energy: 0.8310978059120365
Energy: 1.1762863024489445
Energy: 0.526521915717561
Energy: 1.1762863024359838
Energy: 0.5159618373102843
Energy: 1.1708345633763655
Energy: 0.45561539652518374
Energy: 1.1708345633568067
Energy: 0.7566739926699434
Energy: 1.0862038684617674
Energy: 0.5157190593586944
Energy: 1.0862038684554047
Energy: 0.5207844483566886
Energy: 1.1968157537654096
Energy: 0.4152112020230445
Energy: 1.1968157537654096
Energy: 0.3400345676395659
Energy: 1.1289101536498742
Energy: 0.5259329770011765
Energy: 1.1289101536369135
Energy: 0.49056113171305915
Energy: 1.1547107857204753
Energy: 0.522887082225879
Energy: 1.1547107857270733
Energy: 0.23161062052967074
Energy: 1.099472617717067
Energy: 0.5158226434722123
Energy: 1.0994726177300278
Energy: 0.5199832055836217
Energy: 1.1972647698237004
Energy: 1.0303423084649614
Energy: 1.197264769836661

minimum gb energy = 0.044556922573774554 eV
minimum distance =  2.22514646818725 Angstroms
sigma value = 85


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

Energy: 1.020016586019939
Energy: 1.0811588471956697
Energy: -0.6194642637900235
Energy: 1.0811588471900495
Energy: 1.4478476537333935
Energy: 0.9845965416455011
Energy: 0.4384817860142742
Energy: 0.9845965416511214
Energy: 0.9911947747404305
Energy: 0.9652847367746931
Energy: -0.19227653680757215
Energy: 0.9652847367803135
Energy: 1.0231199946503886
Energy: 0.9805608705020067
Energy: 0.44408240998044485
Energy: 0.9805608705020067
Energy: 0.6102637467388409
Energy: 0.9125651152071927
Energy: 0.16737549463509283
Energy: 0.9125651152071927
Energy: 0.8221475161695244
Energy: 0.9615220251888039
Energy: 0.44482670665169166
Energy: 0.9615220251944244
Energy: 0.5668544603674506
Energy: 0.9045983280377333
Energy: 0.13820039105567786
Energy: 0.9045983050996628
Energy: 0.6257577301342956
Energy: 1.0023227626191273
Energy: 0.455785438999154
Energy: 1.0023227626191273
Energy: 0.454398984560248
Energy: 0.876988350177777
Energy: 0.21770540296135882
Energy: 0.8769883501721564
Energy: 0.36314663294700616
Energy: 0.9144628160503391
Energy: 0.5559828799674141
Energy: 0.9144628160390983
Energy: 0.44629653455922785
Energy: 0.9841156430325047
Energy: 0.848392305633907
Energy: 0.9841156430268841
Energy: 0.11797181148350516
Energy: 1.041039788152548
Energy: 0.6172063756053756
Energy: 1.041039788152548
Energy: 0.4369285107341431
Energy: 0.8699472709480318
Energy: 1.0583570094063302
Energy: 0.8699472709480318
Energy: -0.05755049623657612
Energy: 0.9634483156114929
Energy: 0.9577457289312673
Energy: 0.9634483156114929
Energy: 0.4464739357899229
Energy: 0.9812752017422507
Energy: 1.2254472321151024
Energy: 0.9812752017534916
Energy: 0.049545801566930926
Energy: 1.0555757631561795
Energy: 0.9234052666514805
Energy: 1.05557576316742
Energy: 0.4362241218608131
Energy: 0.8711833859894288
Energy: 1.106070182315593
Energy: 0.8711833859781879
Energy: -0.40898526400298135
Energy: 0.9674564536844821
Energy: 0.9893329566225919
Energy: 0.9674564536844821
Energy: 0.4465704197940713
Energy: 0.9793601503491387
Energy: 1.0346888373520002
Energy: 0.9793601503491387
Energy: 0.37866563970757905
Energy: 1.0743456477143238
Energy: 0.6156906842504198
Energy: 1.0743456477255646
Energy: 0.43505727708740943
Energy: 0.7789312163987905
Energy: 0.8169203817798212
Energy: 0.7789312159606019
Energy: 0.4527790937072578
Energy: 0.861028737634519
Energy: 0.5567421680730734
Energy: 0.8610287376401394
Energy: 0.458775385419013
Energy: 0.9783357670879639
Energy: 0.5591863847315118
Energy: 0.9783357670823435
Energy: 0.4905358570724971
Energy: 1.0788068950644691
Energy: 0.45834005788516047
Energy: 1.0788068950925713
Energy: 0.5376660861507815
Energy: 0.7984215039702424
Energy: -0.15370540649452866
Energy: 0.7984215039590016
Energy: 0.8510297394879228
Energy: 0.9820834030322186
Energy: 0.442918009376354
Energy: 0.9820834032176926
Energy: 0.6155674755674468
Energy: 1.0428428946616726
Energy: -0.3141186741826883
Energy: 1.0428428946672927
Energy: 0.9555310752539315
Energy: 1.0790109744181853
Energy: 0.4450011612230343
Energy: 1.0790109744181853
Energy: 0.981490126871492
Energy: 0.9571325711199746
Energy: 0.02171347499043064
Energy: 0.9571325711031132
Energy: 1.2289150078494417
Energy: 0.9833601241742495
Energy: 0.44771950628678064
Energy: 0.9833601241742495
Energy: 1.0339978322559602
Energy: 1.081957945852949
Energy: -0.06039212636821698
Energy: 1.081957945852949
Energy: 1.2130646987922429
Energy: 1.0796066877267836
Energy: 0.4435816118696889
Energy: 1.0796066877380246
Energy: 0.9843625193111023
Energy: 0.9581992309219951
Energy: -0.27442741050833114
Energy: 0.9581992309276155
Energy: 1.0370141029679685
Energy: 0.9845338784875892
Energy: 0.4474706446558723
Energy: 0.984533878510071
Energy: 0.6153049541026671
Energy: 1.067607162228956
Energy: 0.35487395794491405
Energy: 1.067607162228956
Energy: 0.7504920044093535
Energy: 1.0630784059542189
Energy: 0.43369509877602697
Energy: 1.0630784059485983
Energy: 0.5384228210487749
Energy: 0.874653577350529
Energy: 0.32310647363246797
Energy: 0.8746535784965843
Energy: 0.5737903409300887
Energy: 0.9824079937894634
Energy: 0.4578572056264991
Energy: 0.9824079937894634
Energy: 0.4581304232435804
Energy: 1.0697225205035856
Energy: 0.4899422134196941
Energy: 1.0697225205092062
Energy: 0.26407120489322033
Energy: 1.0323500218072854
Energy: 0.5629141325640644
Energy: 1.0323500216050523
Energy: 0.4249382990658018
Energy: 0.9824433387232635
Energy: 0.831350916583366
Energy: 0.9824433384929283
Energy: 0.18789844506170075
Energy: 1.0101435725597996
Energy: 0.5989340102263773
Energy: 1.0101435725935222
Energy: 0.4478485097947342
Energy: 1.0686178076006416
Energy: 0.9292330122057254
Energy: 1.0686178076006416

minimum gb energy = -0.6194642637900235 eV
minimum distance =  2.22574803003647 Angstroms
sigma value = 113


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

Energy: 0.05849720775635543
Energy: 0.05975653726102256
Energy: 1.7557497612259756
Energy: 0.05975653725679789
Energy: 0.8039990021150577
Energy: 2.4203348971038916
Energy: 0.3257527835471572
Energy: 2.420334897099667
Energy: 0.05849720775635543
Energy: 0.05975653725679789
Energy: 2.004295632137868
Energy: 0.05975653725679789
Energy: 0.8039990021150577
Energy: 2.4203348971038916
Energy: 0.3257527835513819
Energy: 2.420334897099667
Energy: 0.05849720775635543
Energy: 0.05975653726102256
Energy: -0.32873993587157035
Energy: 0.05975653725679789
Energy: 0.8039990021150577
Energy: 2.420334897099667
Energy: 0.3257527835471572
Energy: 2.420334897099667

minimum gb energy = -0.32873993587157035 eV
minimum distance =  2.56418209810624 Angstroms
sigma value = 1