Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850243076682091
cohesive_energy=4.290676325982293
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: 0.013338646078263062
Energy: 0.013821298677274977
Energy: 3.075198649139431
Energy: 0.013821298677274977
Energy: 0.013821298677274977
Energy: 0.013628494004075403
Energy: 0.5162552582236049
Energy: 0.013628494004075403
Energy: 3.0751986491404124
Energy: 0.5162552582236049
Energy: 0.5161537101410136
Energy: 0.5162552582236049
Energy: 0.013821298677274977
Energy: 0.013628494004075403
Energy: 0.5162552582236049
Energy: 0.013628494004075403

minimum gb energy = 0.013338646078263062 eV
minimum distance =  2.4653450936692 Angstroms
sigma value = 1


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

Energy: 1.3903586954576597
Energy: 0.9455912787826922
Energy: 2.4648598949768985
Energy: 0.9455912787802448
Energy: 1.4112888120621283
Energy: 0.8626184977351723
Energy: 0.9039884238727525
Energy: 0.8626184977363959
Energy: 1.6350180659667068
Energy: 0.9026972268345825
Energy: 0.8837035901434045
Energy: 0.9026972268345825
Energy: 1.220957221728699
Energy: 0.8633441985589364
Energy: 0.9463922496395117
Energy: 0.8633441985589364
Energy: 1.2178099215539533
Energy: 0.8634261659290877
Energy: 1.2648010244138477
Energy: 0.8634261659303114
Energy: 1.4260149212025097
Energy: 0.8680588764222869
Energy: 0.8681799172552455
Energy: 0.8680588764210632
Energy: 1.0518162793307628
Energy: 0.8681488407197803
Energy: 0.8680309561260094
Energy: 0.8681488407197803
Energy: 0.8643025655259142
Energy: 0.8664322213009693
Energy: 1.2645056730474231
Energy: 0.8664322213009693
Energy: 1.0605498071893895
Energy: 0.8682876615422706
Energy: 1.2236923851422432
Energy: 0.8682876615410469
Energy: 1.473128203730061
Energy: 0.8682418430735768
Energy: 1.0546586052861986
Energy: 0.8682418430735768
Energy: 0.8811910735250961
Energy: 0.9256630986151645
Energy: 1.1414439858223617
Energy: 0.9256630986151645
Energy: 0.8813755836719717
Energy: 0.8812645469600134
Energy: 1.870764207760469
Energy: 0.8812645469600134
Energy: 1.070885990191763
Energy: 0.9250514258985387
Energy: 1.220523224401733
Energy: 0.9250514258997624
Energy: 0.902309398111518
Energy: 0.925915528720995
Energy: 1.2200213538863391
Energy: 0.925915528720995
Energy: 0.901242664163044
Energy: 0.8670950982952503
Energy: 1.4143455665311373
Energy: 0.8670950982940268
Energy: 0.9011093157447437
Energy: 0.8671142882218333
Energy: 1.4142896351102272
Energy: 0.8671142882230569
Energy: 0.9010985528193927
Energy: 0.9256760299444153
Energy: 1.219906225231811
Energy: 0.925676029945639
Energy: 1.071074094026984
Energy: 0.9247351926430812
Energy: 1.2195749759996972
Energy: 0.9247351926418576
Energy: 0.8852094913164592
Energy: 0.8812353773217692
Energy: 1.9269480482901458
Energy: 0.8812353773205455
Energy: 0.8812469009081223
Energy: 0.9255804250656401
Energy: 1.0545530193712271
Energy: 0.9255804250656401
Energy: 1.4726961788869235
Energy: 0.8682401821435844
Energy: 1.0571253076346787
Energy: 0.8682401821435844
Energy: 1.0596252799464083
Energy: 0.8633260487355388
Energy: 1.2237167181040929
Energy: 0.8633260487367624
Energy: 1.0621986969056432
Energy: 0.8664735716429242
Energy: 1.0647683768570215
Energy: 0.8664735716429242
Energy: 1.2377155658904975
Energy: 0.8680706561618378
Energy: 0.8680745544416741
Energy: 0.8680706561606142
Energy: 1.4255473496264353
Energy: 0.8681937870556411
Energy: 0.8681568333846836
Energy: 0.8681937870556411
Energy: 1.217753756596218
Energy: 0.8637742042881591
Energy: 1.2645047957286368
Energy: 0.8637742042869354
Energy: 1.2184505531435503
Energy: 0.8632126408938345
Energy: 0.9032210099817928
Energy: 0.8632126408938345
Energy: 1.6350010012930793
Energy: 0.9026836813663851
Energy: 0.8842180905142264
Energy: 0.9026836813651614
Energy: 1.4112328858748937
Energy: 0.8626379136913261
Energy: 0.9047092035836173
Energy: 0.8626379136925497
Energy: 1.229244877924643
Energy: 0.8670162266823167
Energy: 0.902883916579106
Energy: 0.8670162266810932
Energy: 1.4132286439065247
Energy: 0.8624738047625218
Energy: 0.9026955802160065
Energy: 0.8624738047625218
Energy: 1.4251178484638067
Energy: 0.8799749885889839
Energy: 0.8842694931194651
Energy: 0.8799749885877604
Energy: 1.2178964741403502
Energy: 0.8632761172123677
Energy: 0.9460699273188842
Energy: 0.8632761172111442

minimum gb energy = 0.8624738047625218 eV
minimum distance =  2.33132859176778 Angstroms
sigma value = 1


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

Energy: 1.5180730483157658
Energy: 0.9104733531373688
Energy: 2.5274548166415305
Energy: 0.9104733531373688
Energy: 1.2915404753954742
Energy: 0.9598919934126929
Energy: 0.992181981440231
Energy: 0.9598919934126929
Energy: 1.31718676583968
Energy: 0.9339913020226246
Energy: 0.9342106172206459
Energy: 0.9339913020226246
Energy: 0.8900188157893048
Energy: 0.9135715089846254
Energy: 0.9874671764695969
Energy: 0.9135715089846254
Energy: 0.8902564178180624
Energy: 0.9135390754257762
Energy: 1.3974016063628738
Energy: 0.9135390754257762
Energy: 1.3171244215680784
Energy: 0.9137229325647143
Energy: 0.9139051219450934
Energy: 0.9137229325647143
Energy: 0.9346001939466769
Energy: 0.9603249669864272
Energy: 0.9137185346023314
Energy: 0.9603249669864272
Energy: 0.9137640811396418
Energy: 0.913540036147294
Energy: 1.395513254586474
Energy: 0.913540036147294
Energy: 0.9353718801461782
Energy: 1.0546637103574061
Energy: 1.3196945491745555
Energy: 1.0546637103560108
Energy: 0.9876049215456074
Energy: 0.8901826353537479
Energy: 0.8901905692168671
Energy: 0.8901826353537479
Energy: 0.9148666347655946
Energy: 0.985310410239057
Energy: 1.3202003109565044
Energy: 0.985310410239057
Energy: 0.9142476859483454
Energy: 0.913831911729471
Energy: 1.785395362262879
Energy: 0.913831911729471
Energy: 0.9876195474142493
Energy: 0.8899876608468594
Energy: 1.2897085057829767
Energy: 0.8899876608468594
Energy: 0.9876195474114587
Energy: 0.889937265739016
Energy: 1.289738186858813
Energy: 0.889937265739016
Energy: 0.9143335627206916
Energy: 0.9138607192553697
Energy: 1.7849031020228394
Energy: 0.9138607192553697
Energy: 0.9148819979092135
Energy: 0.9852351008958515
Energy: 1.320216761224577
Energy: 0.9852351008958515
Energy: 0.9876049215470025
Energy: 0.8901750487532166
Energy: 0.890175115791783
Energy: 0.8901750487532166
Energy: 0.93557766435091
Energy: 1.0538017676038476
Energy: 1.3199042630994995
Energy: 1.0538017676024523
Energy: 0.9137660554150143
Energy: 0.9135451357707698
Energy: 1.3955132545850786
Energy: 0.9135451357693746
Energy: 0.9345860359004521
Energy: 0.9601505520977689
Energy: 0.9137124228767328
Energy: 0.9601505520963738
Energy: 1.317136565390778
Energy: 0.9137508309616702
Energy: 0.9138994595906413
Energy: 0.9137508309616702
Energy: 0.8901039576016003
Energy: 0.913541751366427
Energy: 1.3974016063656642
Energy: 0.913541751366427
Energy: 0.8900761416626939
Energy: 0.9135318200491823
Energy: 0.9874671764654115
Energy: 0.9135318200491823
Energy: 1.3173420624587024
Energy: 0.9339800632609807
Energy: 0.9341911697199067
Energy: 0.9339800632609807
Energy: 1.2915518020943582
Energy: 0.9600277753641185
Energy: 0.992181981440231
Energy: 0.9600277753641185
Energy: 1.5180730483157658
Energy: 0.9104733531373688
Energy: 2.5274548166429254
Energy: 0.9104733531373688
Energy: 1.2915404753954742
Energy: 0.9598919934126929
Energy: 0.992181981440231
Energy: 0.9598919934126929
Energy: 1.31718676583968
Energy: 0.9339913020226246
Energy: 0.9342106172206459
Energy: 0.9339913020226246
Energy: 0.8900188157893048
Energy: 0.9135715089846254
Energy: 0.9874671764695969
Energy: 0.9135715089846254

minimum gb energy = 0.889937265739016 eV
minimum distance =  2.3219538258951 Angstroms
sigma value = 25


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

Energy: 1.3036314662728439
Energy: 1.0731174508278176
Energy: 2.4798342609754154
Energy: 1.0731174508278176
Energy: 1.4073648525307059
Energy: 0.962303130971282
Energy: 1.0331991512481469
Energy: 0.962303130971282
Energy: 1.4246527937136366
Energy: 0.9916681698700769
Energy: 0.9913436681255228
Energy: 0.9916681698700769
Energy: 1.2201092626651793
Energy: 0.9584515768790317
Energy: 1.0357400378887212
Energy: 0.9584515768774099
Energy: 1.219595547031078
Energy: 0.9585439953739981
Energy: 1.228733803928356
Energy: 0.9585439953739981
Energy: 1.424279680467185
Energy: 0.9625317195800155
Energy: 0.9624508184946641
Energy: 0.9625317195800155
Energy: 0.9879892124788159
Energy: 0.9580001951189787
Energy: 0.9623875212359593
Energy: 0.9580001951189787
Energy: 0.9671326490280239
Energy: 0.9875193293608419
Energy: 1.4635225853192706
Energy: 0.9875193293608419
Energy: 1.0395787316058631
Energy: 1.0415812476637083
Energy: 1.211039909864408
Energy: 1.0415812476637083
Energy: 1.0304765206992164
Energy: 0.9518846385077772
Energy: 1.2109353690853941
Energy: 0.951884638509399
Energy: 1.0538886489711594
Energy: 0.9580233938648528
Energy: 1.4119538151938325
Energy: 0.9580233938648528
Energy: 1.0187370659478077
Energy: 0.9877787476354757
Energy: 1.4034754638979074
Energy: 0.9877787476370975
Energy: 1.0283120350757442
Energy: 0.9518564125607725
Energy: 1.2109118874060845
Energy: 0.9518564125623943
Energy: 1.0357341905302573
Energy: 1.0416091772835607
Energy: 1.2110307954216026
Energy: 1.0416091772835607
Energy: 0.9876345968617362
Energy: 0.9875151051453857
Energy: 1.7687898454278035
Energy: 0.9875151051453857
Energy: 0.9875468150938267
Energy: 0.9581346210783086
Energy: 0.9624433888244092
Energy: 0.9581346210783086
Energy: 1.7448259776216322
Energy: 0.9624616377195772
Energy: 0.9623471545095272
Energy: 0.9624616377195772
Energy: 1.21920597372858
Energy: 0.9580779243878995
Energy: 1.2289769984680938
Energy: 0.9580779243895214
Energy: 1.219280173705031
Energy: 0.9583182430103762
Energy: 1.033349266875545
Energy: 0.958318243011998
Energy: 1.2015992936428994
Energy: 0.9625301459096757
Energy: 0.9923997859673295
Energy: 0.9625301459112976
Energy: 1.4091795882951468
Energy: 0.9622719407151774
Energy: 1.0172408700247684
Energy: 0.9622719407151774
Energy: 1.219632913018588
Energy: 0.9521049541156608
Energy: 1.0331305382279936
Energy: 0.9521049541172826
Energy: 1.4088059218899063
Energy: 1.034205729788167
Energy: 1.0332567272030202
Energy: 1.034205729788167
Energy: 1.5781243108730352
Energy: 1.0010276605070483
Energy: 1.0014528851048823
Energy: 1.0010276605070483
Energy: 1.2197602250590336
Energy: 0.9584461501110241
Energy: 0.9836040402346495
Energy: 0.9584461501094022

minimum gb energy = 0.9518564125607725 eV
minimum distance =  2.3311765467112 Angstroms
sigma value = 9


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

Energy: 0.9724418582498222
Energy: 0.9713179970479112
Energy: 2.5830182618260995
Energy: 0.9713179970479112
Energy: 0.9717141277751324
Energy: 1.0138955065081545
Energy: 1.0136291951112113
Energy: 1.0138955065083524
Energy: 1.0619261897658547
Energy: 1.0621042332882493
Energy: 1.0620592142454355
Energy: 1.0621042332878539
Energy: 1.013574298055806
Energy: 1.0135700180917904
Energy: 1.0137221392846079
Energy: 1.0135700180915923
Energy: 1.01367722460879
Energy: 1.0140674362213669
Energy: 1.0619134991783084
Energy: 1.0140674362213669
Energy: 1.7341455486191795
Energy: 1.0136859491567403
Energy: 1.013684078956245
Energy: 1.0136859491567403
Energy: 1.0149815269266973
Energy: 1.013994116168824
Energy: 1.0136670010148459
Energy: 1.0139941161690218
Energy: 1.0136631716324997
Energy: 1.0140764698990214
Energy: 1.5495077123627734
Energy: 1.0140764698992195
Energy: 1.1923959735839817
Energy: 1.0136931462463978
Energy: 0.9714080651855129
Energy: 1.0136931462463978
Energy: 1.1929184935011412
Energy: 0.9714341648908917
Energy: 0.9715380808831358
Energy: 0.9714341648908917
Energy: 1.014282954547565
Energy: 1.1802702651500596
Energy: 1.550018418569028
Energy: 1.1802702651500596
Energy: 1.0978054959563521
Energy: 0.9712907872290154
Energy: 1.0621036741987462
Energy: 0.9712907872292132
Energy: 1.1925073996637585
Energy: 1.0135092387815756
Energy: 1.0141237804134298
Energy: 1.0135092387817737
Energy: 1.0620676090343109
Energy: 1.0644321469574602
Energy: 1.0621110504499747
Energy: 1.0644321469572624
Energy: 1.0141099465966803
Energy: 1.013516400267443
Energy: 1.1925073996650997
Energy: 1.013516400267443
Energy: 1.0620828223968573
Energy: 0.9712762875167789
Energy: 1.097802938280138
Energy: 0.971276287516581
Energy: 1.5500627537621208
Energy: 1.1098279744919457
Energy: 1.0142962106764386
Energy: 1.1098279744919457
Energy: 0.9715102076495358
Energy: 0.9714382979468739
Energy: 1.1929184935005477
Energy: 0.9714382979468739
Energy: 0.9715909810461171
Energy: 1.013554801514929
Energy: 1.1923959735843557
Energy: 1.013554801514731
Energy: 1.5495022434466972
Energy: 1.0139429269616678
Energy: 1.013649339129442
Energy: 1.01394292696147
Energy: 1.0136628818998437
Energy: 1.0141584954464775
Energy: 1.014989036534039
Energy: 1.0141584954466754

minimum gb energy = 0.971276287516581 eV
minimum distance =  2.30628397030771 Angstroms
sigma value = 25


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

Energy: 1.1069787267388354
Energy: 1.6392138243510348
Energy: 2.4092274665217155
Energy: 1.6392138243512795
Energy: 1.3944077260638965
Energy: 1.161704952623057
Energy: 1.1292879783331873
Energy: 1.1617049526233019
Energy: 1.242142630414225
Energy: 1.1158337703421923
Energy: 1.129020152944561
Energy: 1.1158337703421923
Energy: 1.0798180694848292
Energy: 1.1505806562180767
Energy: 1.0959469755254478
Energy: 1.1505806562182943
Energy: 1.1510867610787663
Energy: 1.1619327939608255
Energy: 1.4343560316821857
Energy: 1.1619327939608255
Energy: 1.4908050541358895
Energy: 1.106395992529029
Energy: 1.1065451007669
Energy: 1.1063959925285667
Energy: 1.2046829120428253
Energy: 1.151007665994022
Energy: 1.1069015753781783
Energy: 1.151007665993288
Energy: 1.1509648551829998
Energy: 1.1816708401023848
Energy: 1.4367244090767313
Energy: 1.181670840101678
Energy: 1.1820608354197732
Energy: 1.1064342611348712
Energy: 1.1063053558695009
Energy: 1.1064342611343818
Energy: 1.2284696078079174
Energy: 1.1067395697814304
Energy: 1.1062532205445503
Energy: 1.106739569780941
Energy: 1.1505342893941155
Energy: 1.150578074860875
Energy: 1.4586477807146967
Energy: 1.1505780748615817
Energy: 1.150449076577808
Energy: 1.1069401906394924
Energy: 1.0963465474849448
Energy: 1.1069401906401997
Energy: 1.3763422532363856
Energy: 1.096343436491198
Energy: 1.1170870055574547
Energy: 1.0963434364909534
Energy: 1.4102288689880242
Energy: 1.160823157185648
Energy: 1.2413830128007108
Energy: 1.160823157185893
Energy: 1.413250571253137
Energy: 1.0558893990542444
Energy: 1.2407289604404261
Energy: 1.0558893990542444
Energy: 1.3942964760460326
Energy: 1.1002554665742132
Energy: 1.0968121021584696
Energy: 1.1002554665744306
Energy: 1.1507516311971053
Energy: 1.1063069332905116
Energy: 1.1168105906361214
Energy: 1.1063069332898046

minimum gb energy = 1.0558893990542444 eV
minimum distance =  2.28966980432485 Angstroms
sigma value = 17


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

Energy: 1.5049893888781782
Energy: 1.124268831982254
Energy: 2.290991776167558
Energy: 1.124268831982254
Energy: 1.3368959323469234
Energy: 1.1906108693296733
Energy: 1.231960459805865
Energy: 1.1906108693296733
Energy: 1.3304796417782985
Energy: 1.1702996370743102
Energy: 1.1571540312116146
Energy: 1.1702996370729553
Energy: 1.1469660487779036
Energy: 1.1437972288776566
Energy: 1.1671928539795104
Energy: 1.1437972288776566
Energy: 1.139808719409694
Energy: 1.1882695788519972
Energy: 1.3797540573896434
Energy: 1.1882695788519972
Energy: 1.3675657499665996
Energy: 1.1237174978201447
Energy: 1.163565973222719
Energy: 1.1237174978214999
Energy: 1.2700737898328076
Energy: 1.1461210428028108
Energy: 1.3352090431544537
Energy: 1.1461210428028108
Energy: 1.1802598310423031
Energy: 1.143870411681788
Energy: 1.4242142779745532
Energy: 1.143870411681788
Energy: 1.1573669779089915
Energy: 1.183205964277602
Energy: 1.130497549367832
Energy: 1.183205964277602
Energy: 1.395430732752227
Energy: 1.212452159162862
Energy: 1.1833576465098532
Energy: 1.212452159162862
Energy: 1.1666441455416068
Energy: 1.1663046959701735
Energy: 1.3424099173467792
Energy: 1.1663046959715284
Energy: 1.166312568849176
Energy: 1.1836482806867723
Energy: 1.2221100800262568
Energy: 1.1836482806867723
Energy: 1.3577041685021805
Energy: 1.1976868560871257
Energy: 1.2246272909114686
Energy: 1.1976868560857707
Energy: 1.166443561843016
Energy: 1.166533044919224
Energy: 1.2027694674329745
Energy: 1.166533044919224
Energy: 1.1664972206202666
Energy: 1.1403875601116806
Energy: 1.3713140454110317
Energy: 1.1403875601130355
Energy: 1.3963176125616048
Energy: 1.1832408670683652
Energy: 1.1302465645161575
Energy: 1.1832408670683652
Energy: 1.1744966377815327
Energy: 1.229873055868721
Energy: 1.183310434395765
Energy: 1.229873055867366
Energy: 1.158405162605509
Energy: 1.2080924586577402
Energy: 1.3468262985340673
Energy: 1.2080924586590953
Energy: 1.236148727279582
Energy: 1.124444454887617
Energy: 1.3264049396102815
Energy: 1.124444454887617
Energy: 1.3647664774730344
Energy: 1.1242187533041428
Energy: 1.3265255302567416
Energy: 1.1242187533027876
Energy: 1.1437331396119013
Energy: 1.2125069684646625
Energy: 1.398763892098942
Energy: 1.2125069684646625
Energy: 1.143516416875718
Energy: 1.2346854579667157
Energy: 1.1702844878415997
Energy: 1.2346854579667157
Energy: 1.3787563026607021
Energy: 1.169990265741205
Energy: 1.1702877076182827
Energy: 1.1699902657425598
Energy: 1.3239618381703426
Energy: 1.1293547812436862
Energy: 1.2556094847060117
Energy: 1.1293547812436862
Energy: 1.3239555937979708
Energy: 1.129450706597141
Energy: 1.2547859285694354
Energy: 1.1294507065957857
Energy: 1.3745931570232577
Energy: 1.168388354268962
Energy: 1.167851424498417
Energy: 1.168388354270317
Energy: 1.1400294439847634
Energy: 1.1834826753466248
Energy: 1.1707861906552397
Energy: 1.1834826753466248
Energy: 1.1441215226998722
Energy: 1.1436169210939697
Energy: 1.404035298535847
Energy: 1.1436169210939697
Energy: 1.2880592616945232
Energy: 1.2142816987440463
Energy: 1.3287188893641069
Energy: 1.214281698742691
Energy: 1.2106767023320395
Energy: 1.1237382435710794
Energy: 1.1616816420389253
Energy: 1.1237382435724346

minimum gb energy = 1.1237174978201447 eV
minimum distance =  2.2950379081996 Angstroms
sigma value = 53


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

Energy: 1.1459416840618044
Energy: 1.145739432861995
Energy: 2.412756065014407
Energy: 1.145739432861676
Energy: 1.2321034620333513
Energy: 1.1455457038482013
Energy: 1.1458171815185718
Energy: 1.1455457038485204
Energy: 1.5897428738159334
Energy: 1.265658679006432
Energy: 1.2693454805360704
Energy: 1.265658679006432
Energy: 1.2693299389226294
Energy: 1.2651836258016873
Energy: 1.589725634235985
Energy: 1.2651836258019709
Energy: 1.1458352712807243
Energy: 1.145578702260922
Energy: 1.232107341267797
Energy: 1.145578702260922
Energy: 2.412756065015364
Energy: 1.145739432861676
Energy: 1.1459416840618044
Energy: 1.145739432862314
Energy: 1.1458171815185718
Energy: 1.1455457038475634
Energy: 1.2321034620333513
Energy: 1.1455457038478822
Energy: 1.2693454805354678
Energy: 1.2656586790061484
Energy: 1.5897428738165358
Energy: 1.265658679006432
Energy: 1.5897256342350634
Energy: 1.2651836258013684
Energy: 1.2693299389226294
Energy: 1.2651836258010494
Energy: 1.232107341267797
Energy: 1.145578702260284
Energy: 1.145835271280086
Energy: 1.145578702260603
Energy: 1.1459416840618044
Energy: 1.145739432861676
Energy: 2.4127560650138045
Energy: 1.145739432861995
Energy: 1.2321034620333513
Energy: 1.1455457038478822
Energy: 1.1458171815185718
Energy: 1.1455457038475634
Energy: 1.5897428738162167
Energy: 1.265658679006751
Energy: 1.2693454805357514
Energy: 1.2656586790061484

minimum gb energy = 1.1455457038475634 eV
minimum distance =  2.28159548364948 Angstroms
sigma value = 9


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

Energy: 1.3456525903028502
Energy: 1.2424405888738752
Energy: 2.178278863250153
Energy: 1.2424405888738752
Energy: 1.5110716748417732
Energy: 1.2362412085923518
Energy: 1.3490963909727474
Energy: 1.2362412085935064
Energy: 1.2800568837925872
Energy: 1.2080158731962323
Energy: 1.2084507040857855
Energy: 1.2080158731962323
Energy: 1.2210656105835445
Energy: 1.229723637804999
Energy: 1.3147518671124288
Energy: 1.229723637804999
Energy: 1.2766368310934837
Energy: 1.1962948412487446
Energy: 1.5093876142336136
Energy: 1.1962948412487446
Energy: 1.4696548966235428
Energy: 1.3225102930173387
Energy: 1.34323489938204
Energy: 1.322510293019648
Energy: 1.3017755849540165
Energy: 1.294380524165626
Energy: 1.5228924928310568
Energy: 1.294380524165626
Energy: 1.1963136809296475
Energy: 1.2301569057731891
Energy: 1.2844873471139489
Energy: 1.2301569057720343
Energy: 1.2805741093116476
Energy: 1.2086075487507468
Energy: 1.2431956223901472
Energy: 1.2086075487507468
Energy: 1.3492547386636882
Energy: 1.2084120923398576
Energy: 1.3049361662472492
Energy: 1.2084120923387027
Energy: 1.2117766936392549
Energy: 1.3313338097867542
Energy: 1.4970771108784604
Energy: 1.3313338097867542
Energy: 1.5548047574042152
Energy: 1.2992015782004152
Energy: 1.2787244397281583
Energy: 1.2992015781992605
Energy: 1.2668818747041226
Energy: 1.2148406963878469
Energy: 1.2176285259963415
Energy: 1.214840696386692
Energy: 1.2804791600088352
Energy: 1.2301937247473684
Energy: 1.368409630812822
Energy: 1.2301937247485233
Energy: 1.2795501788781654
Energy: 1.2306462426170734
Energy: 1.2154648480024284
Energy: 1.2306462426170734
Energy: 1.5060506778874492
Energy: 1.2149723539684327
Energy: 1.2203092812198324
Energy: 1.214972353967278
Energy: 1.3494046901007086
Energy: 1.215747067414787
Energy: 1.5751646697825477
Energy: 1.2157470674159419
Energy: 1.214214621957281
Energy: 1.3334068209938923
Energy: 1.300448827385212
Energy: 1.3334068209938923
Energy: 1.4803628302747125
Energy: 1.2959988634747845
Energy: 1.2613129215371064
Energy: 1.2959988634759392
Energy: 1.2301790870355371
Energy: 1.215519272476157
Energy: 1.2394437088705248
Energy: 1.2155192724773114
Energy: 1.1954500941531823
Energy: 1.2302704532999627
Energy: 1.492033113886089
Energy: 1.2302704532999627
Energy: 1.4767647026260573
Energy: 1.1960311138276458
Energy: 1.341035817314178
Energy: 1.1960311138288005
Energy: 1.3702683042627593
Energy: 1.3269391705222244
Energy: 1.3423701210087808
Energy: 1.3269391705222244
Energy: 1.290571663574312
Energy: 1.3198313188163362
Energy: 1.4366935921111075
Energy: 1.3198313188151816
Energy: 1.2198151357273557
Energy: 1.230450714619955
Energy: 1.208019541737957
Energy: 1.2304507146211097
Energy: 1.4446043962599753
Energy: 1.2546361918612148
Energy: 1.2082084217063374
Energy: 1.2546361918623694
Energy: 1.5339994912916246
Energy: 1.1923502566033557
Energy: 1.516995441374237
Energy: 1.1923502566033557
Energy: 1.3459111850529697
Energy: 1.1924271716402375
Energy: 1.516330971843017
Energy: 1.1924271716425467
Energy: 1.4346789750582432
Energy: 1.2547386231990874
Energy: 1.2582413549004787
Energy: 1.254738623200242
Energy: 1.2198350152479573
Energy: 1.2306461741550545
Energy: 1.2081164872192485
Energy: 1.2306461741538999
Energy: 1.2704077142418047
Energy: 1.3190835734890747
Energy: 1.4330321296181272
Energy: 1.3190835734902293
Energy: 1.370423494014433
Energy: 1.1962227250139472
Energy: 1.3449602454994827
Energy: 1.1962227250151019
Energy: 1.5769699130351178
Energy: 1.196178968793721
Energy: 1.3409686221514672
Energy: 1.196178968793721
Energy: 1.1955772987631863
Energy: 1.2303651799120885
Energy: 1.492906699880969
Energy: 1.230365179913243
Energy: 1.2121578816374716
Energy: 1.2154833020734268
Energy: 1.2392298201441139
Energy: 1.215483302072272

minimum gb energy = 1.1923502566033557 eV
minimum distance =  2.25251164605752 Angstroms
sigma value = 73


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

Energy: 1.397078811297122
Energy: 1.3288651512555978
Energy: 2.23549254758249
Energy: 1.328865151255785
Energy: 1.428188770336329
Energy: 1.2587379842263837
Energy: 1.3155077625614788
Energy: 1.2587379842267374
Energy: 1.3111366185279716
Energy: 1.2582868588909457
Energy: 1.191404567966022
Energy: 1.2582868588920493
Energy: 1.234269512099068
Energy: 1.2041809915101738
Energy: 1.3227758094913262
Energy: 1.2041809915101738
Energy: 1.3793806290417856
Energy: 1.204219519295245
Energy: 1.4112450205394151
Energy: 1.2042195192954324
Energy: 1.6216536728269249
Energy: 1.3506510044351399
Energy: 1.1882217366374874
Energy: 1.3506510044349527
Energy: 1.2696033564996265
Energy: 1.3250750608375894
Energy: 1.463961392718081
Energy: 1.3250750608372148
Energy: 1.206312135518317
Energy: 1.2040866356206144
Energy: 1.3107483887005087
Energy: 1.2040866356208018
Energy: 1.4738318621449298
Energy: 1.258534946620501
Energy: 1.3107420253704316
Energy: 1.2585349466203135
Energy: 1.2043647335009517
Energy: 1.2583167137403435
Energy: 1.3115041294752545
Energy: 1.2583167137398024
Energy: 1.2040541640629816
Energy: 1.2040450628440726
Energy: 1.5994001206791408
Energy: 1.2040450628437187
Energy: 1.5190392695322767
Energy: 1.2043357143250761
Energy: 1.4115141156272404
Energy: 1.2043357143252635
Energy: 1.378095451161096
Energy: 1.2044883340096513
Energy: 1.1865467447238505
Energy: 1.2044883340098387
Energy: 1.272912627416092
Energy: 1.3574142377613982
Energy: 1.482148856869518
Energy: 1.3574142377610234
Energy: 1.2337408600320816
Energy: 1.204110459716706
Energy: 1.2582235644627238
Energy: 1.204110459716706
Energy: 1.345530454832138
Energy: 1.2583107925331052
Energy: 1.1917270534849196
Energy: 1.2583107925329178
Energy: 1.3852382591116827
Energy: 1.1866770273941813
Energy: 1.600387321936837
Energy: 1.1866770273941813
Energy: 1.3857700464214813
Energy: 1.1871254009407508
Energy: 1.5995270177919294
Energy: 1.1871254009405636
Energy: 1.548982221329573
Energy: 1.2585422471241186
Energy: 1.2585622671856642
Energy: 1.2585422471241186
Energy: 1.2335991148191907
Energy: 1.2041803938183626
Energy: 1.1914692267365339
Energy: 1.204180393817988
Energy: 1.311719015758228
Energy: 1.2346114857288017
Energy: 1.4811793115350858
Energy: 1.2346114857291766
Energy: 1.378263937116566
Energy: 1.2047501349758818
Energy: 1.1865090085429528
Energy: 1.2047501349762357

minimum gb energy = 1.1865090085429528 eV
minimum distance =  2.25668155760913 Angstroms
sigma value = 7


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

Energy: 1.5279225835056998
Energy: 1.3574666910765987
Energy: 2.2340861751230787
Energy: 1.3574666910765987
Energy: 1.4764888457483107
Energy: 1.2622535201748242
Energy: 1.2663714508689998
Energy: 1.2622535201735288
Energy: 1.2608010140912018
Energy: 1.2243536952509546
Energy: 1.2260530981739763
Energy: 1.2243536952509546
Energy: 1.266156899163963
Energy: 1.1798778208132314
Energy: 1.225134421357491
Energy: 1.1798778208132314
Energy: 1.3471708321553995
Energy: 1.2246689345460744
Energy: 1.179436076145786
Energy: 1.2246689345460744
Energy: 1.7603408789959676
Energy: 1.1799819195500434
Energy: 1.1831405089972045
Energy: 1.1799819195500434
Energy: 1.2295944716448186
Energy: 1.2703110262313657
Energy: 1.5432735871186092
Energy: 1.2703110262313657
Energy: 1.183004603179093
Energy: 1.1799062307731194
Energy: 1.34059446831435
Energy: 1.1799062307731194
Energy: 1.5744024799160394
Energy: 1.2250941426892545
Energy: 1.2266095210452725
Energy: 1.2250941426892545
Energy: 1.2244483484789455
Energy: 1.1799329066817972
Energy: 1.2664267064317922
Energy: 1.1799329066817972
Energy: 1.2244280006039645
Energy: 1.2251810488759063
Energy: 1.3206407805149707
Energy: 1.2251810488759063
Energy: 1.6849272161754578
Energy: 1.1800774817254576
Energy: 1.4539407927300285
Energy: 1.180077481726753
Energy: 1.6680592575449316
Energy: 1.1804773889132822
Energy: 1.4538001432477277
Energy: 1.1804773889132822
Energy: 1.2250193330366002
Energy: 1.225534189057528
Energy: 1.606999270137692
Energy: 1.225534189057528
Energy: 1.2242962000580337
Energy: 1.1802514680243679
Energy: 1.2605845616524223
Energy: 1.1802514680243679
Energy: 1.5746459069394396
Energy: 1.3204661582026007
Energy: 1.2670869345172053
Energy: 1.3204661582026007
Energy: 1.1794601319440035
Energy: 1.1801396617092177
Energy: 1.3408194250907444
Energy: 1.1801396617092177
Energy: 1.1795944234283162
Energy: 1.2248819245704365
Energy: 1.5939497041645816
Energy: 1.224881924571732
Energy: 1.7782186972003342
Energy: 1.1801442558638422
Energy: 1.1796320123852495
Energy: 1.1801442558638422
Energy: 1.341220645638131
Energy: 1.2249150526571464
Energy: 1.1796039371408573
Energy: 1.2249150526571464
Energy: 1.2608538281848154
Energy: 1.2668744147663933
Energy: 1.3439776476596272
Energy: 1.2668744147650979
Energy: 1.2607607112140367
Energy: 1.2248932902842626
Energy: 1.2296167509247269
Energy: 1.2248932902842626
Energy: 1.4764938781417687
Energy: 1.257722191256931
Energy: 1.2686483564979019
Energy: 1.257722191256931
Energy: 1.4522636611201374
Energy: 1.1807925303045013
Energy: 1.6677845014294623
Energy: 1.1807925303045013
Energy: 1.4527432370110929
Energy: 1.1800166647284693
Energy: 1.2632929192558326
Energy: 1.1800166647284693
Energy: 1.3200195237253496
Energy: 1.2246963337495165
Energy: 1.2296469460974102
Energy: 1.2246963337495165
Energy: 1.2624116678873347
Energy: 1.1798782482482326
Energy: 1.22476869741286
Energy: 1.1798782482482326
Energy: 1.3415181884977603
Energy: 1.2248456419875946
Energy: 1.5086468633401862
Energy: 1.2248456419875946
Energy: 1.340504693433281
Energy: 1.1795523567363155
Energy: 1.179477903615288
Energy: 1.1795523567363155
Energy: 1.5487270960004942
Energy: 1.2927974451636688
Energy: 1.5487301108029914
Energy: 1.2927974451623738
Energy: 1.1794778810248747
Energy: 1.179565118771571
Energy: 1.340504693433281
Energy: 1.179565118771571

minimum gb energy = 1.179436076145786 eV
minimum distance =  2.27478034993035 Angstroms
sigma value = 29


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

Energy: 1.0587754406526504
Energy: 1.148381138831228
Energy: 2.288356228078817
Energy: 1.148381138831228
Energy: 1.5359439379112654
Energy: 1.1403792672083772
Energy: 1.1465172782530464
Energy: 1.1403792672083772
Energy: 1.376665703006561
Energy: 1.1146909986862203
Energy: 1.1160539846311732
Energy: 1.1146909986862203
Energy: 1.584626878776761
Energy: 1.1487921823142695
Energy: 1.1150793532265428
Energy: 1.1487921823138183
Energy: 1.617436591609689
Energy: 1.1145471549293053
Energy: 1.1146060858374498
Energy: 1.1145471549297312
Energy: 1.3771554473374918
Energy: 1.1156900921326225
Energy: 1.1144727975535098
Energy: 1.1156900921326225
Energy: 1.536823540523426
Energy: 1.11478214489191
Energy: 1.7717445653496782
Energy: 1.11478214489191
Energy: 1.0580298419140994
Energy: 1.1161028061739076
Energy: 1.7672612698172365
Energy: 1.116102806174359
Energy: 1.5691274994651414
Energy: 1.1468719498242808
Energy: 1.1469678544754984
Energy: 1.1468719498242808

minimum gb energy = 1.0580298419140994 eV
minimum distance =  2.32878498901919 Angstroms
sigma value = 5


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

Energy: 1.3207841140221317
Energy: 1.1923817618480697
Energy: 2.0401332711917894
Energy: 1.1923817618468457
Energy: 1.3379893309953832
Energy: 1.1632820524065102
Energy: 1.2774434894477875
Energy: 1.1632820524052867
Energy: 1.2161409539995003
Energy: 1.2234304430210678
Energy: 1.2243080502419668
Energy: 1.2234304430198442
Energy: 1.21581964629764
Energy: 1.226637786052325
Energy: 1.3258086655082582
Energy: 1.2266377860511015
Energy: 1.1529704386470474
Energy: 1.221255815632974
Energy: 1.1949740702884069
Energy: 1.221255815632974
Energy: 1.2947991388219513
Energy: 1.2499620071260995
Energy: 1.191815274137467
Energy: 1.2499620071273232
Energy: 1.303837191780152
Energy: 1.2073858254191394
Energy: 1.3442013759580451
Energy: 1.2073858254179157
Energy: 1.3061069717715175
Energy: 1.207625013324841
Energy: 1.464285325039434
Energy: 1.207625013324841
Energy: 1.494924330775209
Energy: 1.183429685098129
Energy: 1.2965651200847808
Energy: 1.183429685098129
Energy: 1.410588972475385
Energy: 1.183464582793515
Energy: 1.299200685640873
Energy: 1.1834645827922914
Energy: 1.2269659817859648
Energy: 1.2241553837917012
Energy: 1.3570054239918412
Energy: 1.2241553837917012
Energy: 1.227390655164113
Energy: 1.2232489426708058
Energy: 1.1808639445426734
Energy: 1.223248942669582
Energy: 1.333969717198744
Energy: 1.2650355181657424
Energy: 1.1791027296565035
Energy: 1.2650355181657424
Energy: 1.1783984275230988
Energy: 1.2215264088034894
Energy: 1.1790990697631119
Energy: 1.2215264088034894
Energy: 1.2014433001440745
Energy: 1.3848363486074196
Energy: 1.4065329649338065
Energy: 1.3848363486074196
Energy: 1.538078271319818
Energy: 1.2058929005571235
Energy: 1.295690608566592
Energy: 1.2058929005571235
Energy: 1.3439686327928628
Energy: 1.1847458641858686
Energy: 1.4213940121857151
Energy: 1.1847458641870923
Energy: 1.2071540918719852
Energy: 1.209448673422283
Energy: 1.4705748974752744
Energy: 1.209448673422283
Energy: 1.3056843057716303
Energy: 1.1996195678166608
Energy: 1.1819501438163393
Energy: 1.199619567815437
Energy: 1.2165554106464038
Energy: 1.2333301855514505
Energy: 1.1944766299299778
Energy: 1.2333301855502268
Energy: 1.2178973216129978
Energy: 1.2261799121405432
Energy: 1.255251783603041
Energy: 1.2261799121393198
Energy: 1.3085455796827734
Energy: 1.2210882405236807
Energy: 1.212497530881726
Energy: 1.2210882405224572
Energy: 1.2160585739406042
Energy: 1.222723119373639
Energy: 1.2125669438027684
Energy: 1.2227231193724153
Energy: 1.4263551148291451
Energy: 1.1806123669898771
Energy: 1.3664311523048405
Energy: 1.1806123669898771
Energy: 1.4233650575420718
Energy: 1.181238944276181
Energy: 1.6567599489466123
Energy: 1.1812389442749576
Energy: 1.3337722491649557
Energy: 1.2212304897403208
Energy: 1.212347276856056
Energy: 1.2212304897390969
Energy: 1.2207565982529798
Energy: 1.2219585749693247
Energy: 1.2125597657546088
Energy: 1.2219585749693247
Energy: 1.2232668490826584
Energy: 1.2271461093745288
Energy: 1.3672753134902498
Energy: 1.2271461093733054
Energy: 1.2185054464303342
Energy: 1.2237038782099006
Energy: 1.1918907725987058
Energy: 1.223703878211124
Energy: 1.3177129960642373
Energy: 1.3234867662762766
Energy: 1.255980850538398
Energy: 1.3234867662750531
Energy: 1.3025796437814736
Energy: 1.2102087258225804
Energy: 1.3410170684905427
Energy: 1.2102087258225804
Energy: 1.3044020421089926
Energy: 1.1698957610454215
Energy: 1.3310545846408939
Energy: 1.1698957610441976
Energy: 1.6550939437444097
Energy: 1.1856794411832874
Energy: 1.295363588331133
Energy: 1.1856794411857348

minimum gb energy = 1.1529704386470474 eV
minimum distance =  2.23972664571506 Angstroms
sigma value = 1


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

Energy: 1.1954458130687644
Energy: 1.1478178115371787
Energy: 2.106063998326792
Energy: 1.1478178115388706
Energy: 1.140050687728214
Energy: 1.1510473526647123
Energy: 1.2024488323819162
Energy: 1.1510473526647123
Energy: 1.3227992081771442
Energy: 1.2014595871376015
Energy: 1.2666142603105357
Energy: 1.2014595871376015
Energy: 1.2013869410450073
Energy: 1.2012318184240698
Energy: 1.2359407807179146
Energy: 1.2012318184240698
Energy: 1.1436696599910392
Energy: 1.1478328852024655
Energy: 1.1427536201125306
Energy: 1.1478328852007733
Energy: 1.1432570985708042
Energy: 1.143306219069921
Energy: 1.14293403049883
Energy: 1.143306219069921
Energy: 1.2399895101285228
Energy: 1.20197856433611
Energy: 1.3220867090586255
Energy: 1.201978564337802
Energy: 1.2392427215863566
Energy: 1.201710200250646
Energy: 1.3235857175009482
Energy: 1.201710200248954
Energy: 1.4275728110045214
Energy: 1.14778186065877
Energy: 1.1704813588864649
Energy: 1.14778186065877
Energy: 1.4275728110062131
Energy: 1.147825376752947
Energy: 1.1703371482627813
Energy: 1.147825376752947
Energy: 1.2392408791160205
Energy: 1.2016914168864832
Energy: 1.3235857175043317
Energy: 1.2016914168864832
Energy: 1.24000871337593
Energy: 1.2019693469651433
Energy: 1.3220867090569335
Energy: 1.201969346966835
Energy: 1.1432251279186136
Energy: 1.1428650483278486
Energy: 1.14278456810378
Energy: 1.1428650483278486
Energy: 1.1436645773787466
Energy: 1.1479516211803302
Energy: 1.1427429994351197
Energy: 1.1479516211786382
Energy: 1.201385630326447
Energy: 1.2012357667250277
Energy: 1.2359261698602326
Energy: 1.2012357667250277
Energy: 1.3227992081771442
Energy: 1.2014579132192211
Energy: 1.2665657635523817
Energy: 1.2014579132175294
Energy: 1.1400734005625746
Energy: 1.1523887439922056
Energy: 1.2024444944030186
Energy: 1.1523887439922056
Energy: 1.1954458130687644
Energy: 1.1478178115388706
Energy: 2.106063998326792
Energy: 1.1478178115371787
Energy: 1.140050687728214
Energy: 1.1510473526630203
Energy: 1.2024488323819162
Energy: 1.1510473526630203
Energy: 1.3227992081771442
Energy: 1.2014595871376015
Energy: 1.2666142603105357
Energy: 1.2014595871392935
Energy: 1.2013869410450073
Energy: 1.2012318184240698
Energy: 1.2359407807179146
Energy: 1.2012318184240698
Energy: 1.1436696599910392
Energy: 1.1478328852007733
Energy: 1.1427536201125306
Energy: 1.1478328852007733
Energy: 1.1432570985708042
Energy: 1.1433062190682293
Energy: 1.14293403049883
Energy: 1.1433062190682293
Energy: 1.2399895101285228
Energy: 1.20197856433611
Energy: 1.3220867090586255
Energy: 1.20197856433611

minimum gb energy = 1.140050687728214 eV
minimum distance =  2.26121942422785 Angstroms
sigma value = 17


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

Energy: 1.3763570212345335
Energy: 1.1791873519642333
Energy: 1.9362854037833028
Energy: 1.179187351965279
Energy: 1.2512147053457987
Energy: 1.1829681224609516
Energy: 1.2586679905622968
Energy: 1.1829681224609516
Energy: 1.1922266647355835
Energy: 1.184026437964786
Energy: 1.2001660913523848
Energy: 1.184026437964786
Energy: 1.1829232986789346
Energy: 1.188408821963878
Energy: 1.341620430867607
Energy: 1.188408821963878
Energy: 1.1904217288518224
Energy: 1.1796736100711536
Energy: 1.200914670042435
Energy: 1.1796736100711536
Energy: 1.2250991835017588
Energy: 1.2063059199300235
Energy: 1.201343509850361
Energy: 1.206305919932115
Energy: 1.1919606521028328
Energy: 1.1912237972452255
Energy: 1.1668567129238454
Energy: 1.1912237972441797
Energy: 1.1906486948105386
Energy: 1.1911039126498575
Energy: 1.2040080147996335
Energy: 1.1911039126498575
Energy: 1.4086467214317984
Energy: 1.1678385171482282
Energy: 1.3532331835573805
Energy: 1.1678385171492738
Energy: 1.4454829771004858
Energy: 1.1678712077861644
Energy: 1.3519232886662633
Energy: 1.1678712077882558
Energy: 1.2483244440107846
Energy: 1.171461111907829
Energy: 1.2042631057369193
Energy: 1.171461111907829
Energy: 1.2457080420200755
Energy: 1.1714674421284308
Energy: 1.2052742208377478
Energy: 1.1714674421294764
Energy: 1.2277088346615106
Energy: 1.1953566867665706
Energy: 1.205565614014742
Energy: 1.1953566867665706
Energy: 1.1807149556909533
Energy: 1.1798212307980016
Energy: 1.2046801293838922
Energy: 1.179821230800093
Energy: 1.1810818241301302
Energy: 1.2143186716742138
Energy: 1.2102610111252023
Energy: 1.2143186716731682
Energy: 1.1842532810917235
Energy: 1.1909861775390829
Energy: 1.174361462540288
Energy: 1.1909861775411743
Energy: 1.3402237998447302
Energy: 1.1682152274810715
Energy: 1.2277921738369595
Energy: 1.1682152274821171
Energy: 1.2435940626736965
Energy: 1.1812368991367153
Energy: 1.4201775460614996
Energy: 1.1812368991356696
Energy: 1.2425903548546264
Energy: 1.1572866394701795
Energy: 1.240040340393304
Energy: 1.157286639469134
Energy: 1.543789701342472
Energy: 1.1753575028115149
Energy: 1.2448691076750706
Energy: 1.175357502813606
Energy: 1.215065913408253
Energy: 1.2857983930427552
Energy: 1.3094963202378482
Energy: 1.2857983930438008
Energy: 1.1913789567930348
Energy: 1.1798423599242234
Energy: 1.1737093728104173
Energy: 1.179842359922132
Energy: 1.2877506719795127
Energy: 1.2064526428951792
Energy: 1.2387616003589654
Energy: 1.2064526428941333
Energy: 1.1801677383503069
Energy: 1.1912160904135358
Energy: 1.160898169073858
Energy: 1.1912160904145817
Energy: 1.1827058375713784
Energy: 1.2147497811229901
Energy: 1.2535097483450435
Energy: 1.214749781124036
Energy: 1.1942002800474099
Energy: 1.180004497221686
Energy: 1.1885604264991894
Energy: 1.1800044972206403
Energy: 1.2907952447110689
Energy: 1.180165118834731
Energy: 1.2500433018390165
Energy: 1.1801651188336855
Energy: 1.3457653896405932
Energy: 1.150093834890533
Energy: 1.458796810233458
Energy: 1.1500938348894874
Energy: 1.349283004903776
Energy: 1.150943642267287
Energy: 1.25356586591761
Energy: 1.1509436422651955
Energy: 1.1923799263871686
Energy: 1.1803283898174664
Energy: 1.1884396179679504
Energy: 1.1803283898174664
Energy: 1.1955677491353915
Energy: 1.1804360950139012
Energy: 1.250089610104687
Energy: 1.1804360950139012
Energy: 1.1800896446662765
Energy: 1.2135544587503686
Energy: 1.2000951849477606
Energy: 1.2135544587514144
Energy: 1.182596318932721
Energy: 1.1916511970243333
Energy: 1.1589395517930616
Energy: 1.1916511970243333
Energy: 1.2654505352009262
Energy: 1.1943398023366798
Energy: 1.1737265374346835
Energy: 1.1943398023366798
Energy: 1.1995739140065964
Energy: 1.1803566732720325
Energy: 1.211644769135837
Energy: 1.180356673270987
Energy: 1.174395346968719
Energy: 1.1556326816433524
Energy: 1.3345933920116397
Energy: 1.1556326816433524
Energy: 1.5951366484226364
Energy: 1.1711057908626732
Energy: 1.2445630731669002
Energy: 1.171105790863719
Energy: 1.3410165683491166
Energy: 1.1564201028589118
Energy: 1.256488245635706
Energy: 1.1564201028578658

minimum gb energy = 1.1500938348894874 eV
minimum distance =  2.25655350450889 Angstroms
sigma value = 89


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

Energy: 1.2754802117983648
Energy: 1.10178208220432
Energy: 1.948560842178872
Energy: 1.1017820822045998
Energy: 1.1750787245607635
Energy: 1.1188502062015193
Energy: 1.2264035391620083
Energy: 1.118850206201799
Energy: 1.2789427222074918
Energy: 1.0938024496706187
Energy: 1.106812357590145
Energy: 1.0938024496698104
Energy: 1.1540631265688126
Energy: 1.1543524099596434
Energy: 1.2985081086255978
Energy: 1.1543524099591147
Energy: 1.1669011334698218
Energy: 1.1434321282437996
Energy: 1.1356577081220163
Energy: 1.1434321282440796
Energy: 1.1464560611732224
Energy: 1.2863605181254156
Energy: 1.1357923927365325
Energy: 1.286360518125944
Energy: 1.1491897873176111
Energy: 1.0936869109676963
Energy: 1.1357185171971587
Energy: 1.093686910968256
Energy: 1.1477301300846934
Energy: 1.1518184695755633
Energy: 1.2968306466237483
Energy: 1.1518184695758433
Energy: 1.2809992202461291
Energy: 1.1435172520807262
Energy: 1.0895204729417123
Energy: 1.143517252081255
Energy: 1.1464536899436473
Energy: 1.1442566556948908
Energy: 1.0889644497605595
Energy: 1.1442566556954192
Energy: 1.2267195467802339
Energy: 1.0938449412319633
Energy: 1.296845580625114
Energy: 1.0938449412319633
Energy: 1.2265555310670035
Energy: 1.0945731814459738
Energy: 1.296684870365345
Energy: 1.0945731814459738
Energy: 1.2794288232757234
Energy: 1.1437055439372052
Energy: 1.089531871690345
Energy: 1.1437055439369253
Energy: 1.278920736245301
Energy: 1.1445120939777746
Energy: 1.0886805041481686
Energy: 1.1445120939774946
Energy: 1.1484763052603708
Energy: 1.1436088303276473
Energy: 1.207990773024873
Energy: 1.1436088303273675

minimum gb energy = 1.0886805041481686 eV
minimum distance =  2.25737809259952 Angstroms
sigma value = 13


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

Energy: 1.2082421017637506
Energy: 1.0838062934796913
Energy: 1.7299977336828851
Energy: 1.0838062934785444
Energy: 1.1537952348165217
Energy: 1.087412566597182
Energy: 1.1381670274973148
Energy: 1.087412566597182
Energy: 1.1586879995857449
Energy: 1.067492088072307
Energy: 1.1908241001316875
Energy: 1.067492088072307
Energy: 1.1610022091213945
Energy: 1.0713842297407947
Energy: 1.1634694027615695
Energy: 1.0713842297407947
Energy: 1.1006310466059461
Energy: 1.0824913681185733
Energy: 1.1049849745351752
Energy: 1.0824913681197201
Energy: 1.2282613795984894
Energy: 1.0803895415741365
Energy: 1.1451583468411484
Energy: 1.0803895415741365
Energy: 1.1137863256891578
Energy: 1.0520033965909792
Energy: 1.1232731949019108
Energy: 1.0520033965909792
Energy: 1.1129030497215457
Energy: 1.088902228178114
Energy: 1.1111262918728593
Energy: 1.088902228178114
Energy: 1.1033525714882029
Energy: 1.0803209283387067
Energy: 1.091859834349119
Energy: 1.0803209283387067
Energy: 1.2029604642182026
Energy: 1.081838979580526
Energy: 1.1899608011648337
Energy: 1.081838979580526
Energy: 1.1647228932326719
Energy: 1.0654479482996408
Energy: 1.1539380247765962
Energy: 1.0654479482984942
Energy: 1.164680416562722
Energy: 1.0669914990584406
Energy: 1.0998342470743425
Energy: 1.0669914990595875
Energy: 1.1480740408943406
Energy: 1.0670369931436592
Energy: 1.1365602184452153
Energy: 1.0670369931436592
Energy: 1.10679814265544
Energy: 1.0690358003026679
Energy: 1.2618831391747496
Energy: 1.0690358003026679
Energy: 1.1646743493413518
Energy: 1.0653744127543858
Energy: 1.1364197444588084
Energy: 1.0653744127555327
Energy: 1.164948230265721
Energy: 1.067150289905421
Energy: 1.1602736255667268
Energy: 1.0671502899077145
Energy: 1.1666691764042867
Energy: 1.0802408919692044
Energy: 1.0922121178330702
Energy: 1.080240891970351
Energy: 1.1048697232191338
Energy: 1.0821621161417159
Energy: 1.1905967240764677
Energy: 1.0821621161417159
Energy: 1.1133775506599535
Energy: 1.0523552998224968
Energy: 1.1136787782736939
Energy: 1.0523552998224968
Energy: 1.1136283137693728
Energy: 1.0521952959743623
Energy: 1.113301601750481
Energy: 1.0521952959743623
Energy: 1.1903865342300726
Energy: 1.0825393170927777
Energy: 1.1049314810414808
Energy: 1.0825393170927777
Energy: 1.0923716643440422
Energy: 1.0802491127370166
Energy: 1.1578071497704654
Energy: 1.0802491127370166
Energy: 1.1587761793712266
Energy: 1.0675466691678175
Energy: 1.1655067701804391
Energy: 1.0675466691678175
Energy: 1.15394509102451
Energy: 1.0654635922828073
Energy: 1.1644410116054345
Energy: 1.0654635922828073
Energy: 1.2118907940510908
Energy: 1.081178731300174
Energy: 1.172136527808394
Energy: 1.081178731300174
Energy: 1.1822863338052396
Energy: 1.0797772399834233
Energy: 1.1575439042103293
Energy: 1.0797772399834233
Energy: 1.1015286103678334
Energy: 1.0673851392467477
Energy: 1.1655168326573575
Energy: 1.0673851392456009
Energy: 1.153140040148319
Energy: 1.065251922696124
Energy: 1.1644317662048733
Energy: 1.0652519226972708
Energy: 1.1899498253503114
Energy: 1.0822441633008664
Energy: 1.202858266680051
Energy: 1.0822441633020132
Energy: 1.0923756344999662
Energy: 1.0804499943272663
Energy: 1.1028306880894123
Energy: 1.0804499943272663
Energy: 1.1112739996921672
Energy: 1.0889282794192376
Energy: 1.112710576132581
Energy: 1.088928279418091
Energy: 1.122014853964701
Energy: 1.0516492655162573
Energy: 1.1139878114782429
Energy: 1.0516492655174043
Energy: 1.1190429208426742
Energy: 1.080382894337665
Energy: 1.1981258155977592
Energy: 1.080382894337665
Energy: 1.1046947766457353
Energy: 1.082638884974279
Energy: 1.1005820965177806
Energy: 1.082638884974279
Energy: 1.1524999802199376
Energy: 1.146538915271747
Energy: 1.1374006103970766
Energy: 1.146538915271747

minimum gb energy = 1.0516492655162573 eV
minimum distance =  2.25425672904957 Angstroms
sigma value = 37


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

Energy: 1.1500338591497175
Energy: 0.9969086164483232
Energy: 1.6726807980008378
Energy: 0.9969086164481439
Energy: 1.0451450450832411
Energy: 1.0159544480940188
Energy: 1.0713741645930472
Energy: 1.015954448094826
Energy: 1.1699079550247695
Energy: 0.980671931280885
Energy: 1.1510332928867266
Energy: 0.9806719312807056
Energy: 1.1079829099691856
Energy: 1.0726664001288797
Energy: 1.0713760209953826
Energy: 1.072666400129866
Energy: 1.0702157753537953
Energy: 0.9789136792446588
Energy: 1.1652019501697073
Energy: 0.9789136792448381
Energy: 1.153853157173922
Energy: 1.0170901129082812
Energy: 1.0954386833315004
Energy: 1.0170901129082812
Energy: 1.0646450324853742
Energy: 0.9805441052230158
Energy: 1.1194555538639241
Energy: 0.9805441052230158
Energy: 1.0639516231203692
Energy: 1.1083826306735582
Energy: 1.091246443392287
Energy: 1.1083826306731546
Energy: 1.0709643110875746
Energy: 0.9790084909864643
Energy: 1.091313353491204
Energy: 0.9790084909858812
Energy: 1.1531174948394691
Energy: 1.0169749781625694
Energy: 1.091864563162252
Energy: 1.0169749781627715
Energy: 1.0447748599510012
Energy: 0.9804426160336129
Energy: 1.1633080265112974
Energy: 0.9804426160336129
Energy: 1.0541485288253962
Energy: 1.0182577636029257
Energy: 1.0917667176918884
Energy: 1.018257763602522
Energy: 1.1703846070553106
Energy: 0.9790425199355542
Energy: 1.1029705376258283
Energy: 0.9790425199361371
Energy: 1.0343312659739101
Energy: 0.9811068619326377
Energy: 1.1039312246396515
Energy: 0.981106861933243
Energy: 1.1057792246712244
Energy: 0.9962995257155836
Energy: 1.1634605244732703
Energy: 0.996299525715763
Energy: 1.020294996668303
Energy: 1.005153402408477
Energy: 1.0809723299261627
Energy: 1.005153402408679
Energy: 1.1700087680067999
Energy: 0.9791020086276591
Energy: 1.1030020013083712
Energy: 0.9791020086278609
Energy: 1.107507274639326
Energy: 0.9808436515016498
Energy: 1.1040849058124325
Energy: 0.9808436515012462
Energy: 1.0448402806302586
Energy: 0.9803994939765575
Energy: 1.163461131808214
Energy: 0.9803994939763556
Energy: 1.045023818360856
Energy: 1.0178787648705505
Energy: 1.1651007829535946
Energy: 1.0178787648709315

minimum gb energy = 0.9789136792446588 eV
minimum distance =  2.27030383964108 Angstroms
sigma value = 25


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

Energy: 1.056293358690307
Energy: 0.9107797190804472
Energy: 1.4394769422863996
Energy: 0.9107797190804472
Energy: 1.000833903837877
Energy: 0.9363220378318614
Energy: 0.995234952286083
Energy: 0.9363220378318614
Energy: 1.0442629251175717
Energy: 0.8959000794310009
Energy: 1.0575365395193435
Energy: 0.8959000794310009
Energy: 1.008803757352025
Energy: 0.9526758711743774
Energy: 0.995171727997777
Energy: 0.9526758711743774
Energy: 1.012538777044666
Energy: 0.888820640824359
Energy: 1.035515278979794
Energy: 0.888820640824359
Energy: 1.0091093911019815
Energy: 0.9068095940341914
Energy: 1.0347526038847266
Energy: 0.9068095940341914
Energy: 0.9806245074140828
Energy: 0.8886830953332304
Energy: 1.0139281652118028
Energy: 0.8886830953332304
Energy: 1.0149136662825666
Energy: 0.9094198671016844
Energy: 1.0352438564611264
Energy: 0.9094198671001438
Energy: 0.9814749361906779
Energy: 0.8889615014413343
Energy: 1.0020738273725494
Energy: 0.8889615014397938
Energy: 1.0296634314192017
Energy: 0.9569269673915861
Energy: 1.0126619634595586
Energy: 0.9569269673931268
Energy: 0.9744020639766383
Energy: 0.8886050115079108
Energy: 1.0093762387715342
Energy: 0.8886050115079108
Energy: 1.012242875391958
Energy: 0.9095389162634606
Energy: 1.0346466035800992
Energy: 0.90953891626192
Energy: 0.9835286088286161
Energy: 0.888899638486701
Energy: 0.9898265627904717
Energy: 0.888899638486701
Energy: 1.0536430695031331
Energy: 0.909025237972892
Energy: 0.9809947910363773
Energy: 0.909025237972892
Energy: 0.9642755455485367
Energy: 0.8885828761794105
Energy: 1.0382519765283817
Energy: 0.8885828761794105
Energy: 0.9867027360371508
Energy: 0.8888465159830972
Energy: 0.9640610472045186
Energy: 0.8888465159815565
Energy: 1.0411272960986926
Energy: 0.8959945115095621
Energy: 0.9804390841607227
Energy: 0.8959945115095621
Energy: 0.9640992752819636
Energy: 0.9211400695019387
Energy: 0.978055267479715
Energy: 0.921140069500398
Energy: 0.9955174122324757
Energy: 0.9092814613169997
Energy: 1.0389682407699392
Energy: 0.9092814613185404
Energy: 1.0000659311550337
Energy: 0.9101523427937651
Energy: 0.9958381952890087
Energy: 0.9101523427937651
Energy: 1.0407711572306872
Energy: 0.8959398713667057
Energy: 0.9792572554525256
Energy: 0.8959398713682466
Energy: 1.0182961200557161
Energy: 0.9050254333738027
Energy: 0.9780977108646539
Energy: 0.9050254333738027
Energy: 0.9651700896412767
Energy: 0.8886701827553112
Energy: 1.0385908866814249
Energy: 0.8886701827553112
Energy: 1.008432164166142
Energy: 0.8883910401632499
Energy: 1.024029070792316
Energy: 0.8883910401632499
Energy: 0.9837247296070492
Energy: 0.8891636556192297
Energy: 0.9900066308881378
Energy: 0.8891636556192297
Energy: 1.0539065932564375
Energy: 0.9085833156569166
Energy: 0.9809913430640531
Energy: 0.9085833156569166

minimum gb energy = 0.8883910401632499 eV
minimum distance =  2.28176620817975 Angstroms
sigma value = 41


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

Energy: 0.9990760833295367
Energy: 0.8442083008347708
Energy: 1.275533303501286
Energy: 0.8442083008347708
Energy: 0.8974494100891443
Energy: 0.8553159700003036
Energy: 0.9451876215579379
Energy: 0.8553159700003036
Energy: 0.9486487617437811
Energy: 0.8263995017881035
Energy: 0.9632454963720627
Energy: 0.8263995017881035
Energy: 0.9468563284736171
Energy: 0.8911186971741728
Energy: 0.9450201352400682
Energy: 0.8911186971741728
Energy: 0.9572650598046037
Energy: 0.8174466370931948
Energy: 0.9415802941041156
Energy: 0.8174466370931948
Energy: 0.9468329337503488
Energy: 0.8336801871227565
Energy: 0.9335611509647491
Energy: 0.8336801871227565
Energy: 0.9581044034756975
Energy: 0.8141653814440091
Energy: 0.9536609128428627
Energy: 0.8141653814440091
Energy: 0.9499341018072742
Energy: 0.8375697210219174
Energy: 0.9334043862320706
Energy: 0.8375697210219174
Energy: 0.956764263226236
Energy: 0.8140510658660094
Energy: 0.9252720749628655
Energy: 0.8140510658660094
Energy: 0.9499448058946022
Energy: 0.8660476570360485
Energy: 0.9468433695211879
Energy: 0.8660476570373116
Energy: 0.9426599505166153
Energy: 0.8142518958360894
Energy: 0.9311828746722794
Energy: 0.8142518958348265
Energy: 0.9381335592731331
Energy: 0.8540355205788686
Energy: 0.9470681137245113
Energy: 0.8540355205801318
Energy: 0.9488561985822613
Energy: 0.8142519758067256
Energy: 0.9247156269483905
Energy: 0.8142519758067256
Energy: 0.9499130695515229
Energy: 0.8263602964976215
Energy: 0.9392437824451912
Energy: 0.8263602964976215
Energy: 0.905501740624207
Energy: 0.8141956399018467
Energy: 0.928869160192551
Energy: 0.8141956399031098
Energy: 0.9043418026213194
Energy: 0.8264125336022009
Energy: 0.9601652292403162
Energy: 0.8264125336022009
Energy: 0.9619452387151852
Energy: 0.8141802002134493
Energy: 0.8967864895832948
Energy: 0.8141802002121863
Energy: 0.9431567001998298
Energy: 0.8138360613208315
Energy: 0.9137156147112687
Energy: 0.8138360613208315
Energy: 0.9035646606495656
Energy: 0.8168214647856478
Energy: 0.9433238696524676
Energy: 0.8168214647856478
Energy: 0.9060314243354529
Energy: 0.8803324265869733
Energy: 0.9044007696491226
Energy: 0.8803324265869733
Energy: 0.946325364256547
Energy: 0.8253388026851853
Energy: 0.91086331876633
Energy: 0.8253388026839223
Energy: 0.8989269413557622
Energy: 0.8444380089851188
Energy: 0.9410802294278677
Energy: 0.8444380089851188
Energy: 0.9302656781146185
Energy: 0.8437394913738988
Energy: 0.9451347138530399
Energy: 0.8437394913738988
Energy: 0.9548559712575514
Energy: 0.8467452789659574
Energy: 0.9067862884068919
Energy: 0.8467452789646943
Energy: 0.9460691750954404
Energy: 0.8253820654750208
Energy: 0.9105005175585694
Energy: 0.8253820654750208
Energy: 0.9433153921002994
Energy: 0.8264251280183533
Energy: 0.9410986815795305
Energy: 0.8264251280183533
Energy: 0.9026249824342083
Energy: 0.8169846727353194
Energy: 0.9453753935439182
Energy: 0.8169846727353194
Energy: 0.9346254298005439
Energy: 0.8241384814135833
Energy: 0.9598067366353116
Energy: 0.8241384814148464
Energy: 0.9564347786391761
Energy: 0.814264468225511
Energy: 0.8970359012187428
Energy: 0.814264468226774
Energy: 0.9499398746772619
Energy: 0.8135382893521389
Energy: 0.936549051342802
Energy: 0.8135382893508757
Energy: 0.9054965208459124
Energy: 0.8140052368400792
Energy: 0.9235715997467071
Energy: 0.8140052368413424
Energy: 0.9045623577687899
Energy: 0.8259853602302903
Energy: 0.9706436799238176
Energy: 0.8259853602302903

minimum gb energy = 0.8135382893508757 eV
minimum distance =  2.28600843265528 Angstroms
sigma value = 15


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

Energy: 0.9306832123818286
Energy: 0.7834290194663238
Energy: 1.1533758490690267
Energy: 0.7834290194652538
Energy: 0.8875852826658092
Energy: 0.8339039896605248
Energy: 0.8878865848871528
Energy: 0.8339039896615947
Energy: 0.8746353836013787
Energy: 0.774217726628744
Energy: 0.9077193457485584
Energy: 0.774217726628744
Energy: 0.8786325385837763
Energy: 0.7846968795073439
Energy: 0.8797006120273692
Energy: 0.7846968795062738
Energy: 0.895634838868076
Energy: 0.7634336465921071
Energy: 0.8693593393453242
Energy: 0.7634336465910371
Energy: 0.8783431886108973
Energy: 0.8211153458278322
Energy: 0.8804617895257364
Energy: 0.8211153458278322
Energy: 0.8824965627555419
Energy: 0.7542414018071302
Energy: 0.9076910507099525
Energy: 0.7542414018082003
Energy: 0.8732840826461168
Energy: 0.8217646962457364
Energy: 0.8801096612362175
Energy: 0.8217646962468064
Energy: 0.9011371538067293
Energy: 0.7532617026061944
Energy: 0.8610382963195228
Energy: 0.7532617026061944
Energy: 0.8731334143797989
Energy: 0.7682562234386257
Energy: 0.8843426029976754
Energy: 0.7682562234396957
Energy: 0.8752366090913778
Energy: 0.7530296136093337
Energy: 0.8806117343256251
Energy: 0.7530296136093337
Energy: 0.8829997955134512
Energy: 0.7861300074577745
Energy: 0.8840597946546604
Energy: 0.7861300074556344
Energy: 0.8830988492257038
Energy: 0.7532673647555304
Energy: 0.8633750077386316
Energy: 0.7532673647544603
Energy: 0.8828074906276244
Energy: 0.7787033551840273
Energy: 0.878191078597972
Energy: 0.7787033551861675
Energy: 0.878191602085381
Energy: 0.7532978184912967
Energy: 0.8656607347444768
Energy: 0.7532978184902268
Energy: 0.8884443907586236
Energy: 0.7787055793071674
Energy: 0.8842154769211404
Energy: 0.7787055793071674
Energy: 0.8793588557270733
Energy: 0.7532068118797389
Energy: 0.8755935408914515
Energy: 0.7532068118797389
Energy: 0.8876752104695715
Energy: 0.761228189329896
Energy: 0.8506861543242532
Energy: 0.761228189329896
Energy: 0.845374917820132
Energy: 0.7532112668953006
Energy: 0.8649063412825078
Energy: 0.7532112668963706
Energy: 0.8558826079977625
Energy: 0.7679531108010573
Energy: 0.8763830570394538
Energy: 0.7679531108021275
Energy: 0.8864076215704366
Energy: 0.7544500284574498
Energy: 0.85240500018147
Energy: 0.7544500284553097
Energy: 0.8868974424447947
Energy: 0.8143025112731664
Energy: 0.8500528305749429
Energy: 0.8143025112763767
Energy: 0.8509652170336564
Energy: 0.7635233443658327
Energy: 0.8704073625818676
Energy: 0.7635233443658327
Energy: 0.8816248171216864
Energy: 0.8245884377026457
Energy: 0.8587752184812564
Energy: 0.8245884377015755
Energy: 0.8729188073186093
Energy: 0.7747116762021924
Energy: 0.8644559148900174
Energy: 0.7747116762032625
Energy: 0.8450568932209513
Energy: 0.8270759243811061
Energy: 0.8889389241249682
Energy: 0.8270759243811061
Energy: 0.8711860273833347
Energy: 0.783199720574355
Energy: 0.871858587127838
Energy: 0.783199720572215
Energy: 0.8873171920916396
Energy: 0.8237394530286392
Energy: 0.884988783295413
Energy: 0.8237394530307792
Energy: 0.8794432208021363
Energy: 0.7744916784018896
Energy: 0.8638751267182788
Energy: 0.7744916784008194
Energy: 0.8869043976484027
Energy: 0.7734014930102214
Energy: 0.8888208746421803
Energy: 0.7734014930112916
Energy: 0.8513055951677451
Energy: 0.763448436246631
Energy: 0.8716356889170506
Energy: 0.7634484362477011
Energy: 0.8808653721524851
Energy: 0.7729391079537796
Energy: 0.8764756079423411
Energy: 0.7729391079527097
Energy: 0.8816578449219427
Energy: 0.7547719835008789
Energy: 0.851411051254764
Energy: 0.7547719834998089
Energy: 0.8878168070845701
Energy: 0.759207555298964
Energy: 0.874603889081183
Energy: 0.7592075553000341
Energy: 0.8455095989156914
Energy: 0.7533481897126438
Energy: 0.8926962001816134
Energy: 0.7533481897115738
Energy: 0.8765494753770164
Energy: 0.7675916064561206
Energy: 0.8842637466666121
Energy: 0.7675916064561206
Energy: 0.8712822094910283
Energy: 0.7534444247758504
Energy: 0.8756583027524267
Energy: 0.7534444247779906

minimum gb energy = 0.7530296136093337 eV
minimum distance =  2.29245933470828 Angstroms
sigma value = 85


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

Energy: 0.908321395612502
Energy: 0.7285908849243372
Energy: 1.0238585107035432
Energy: 0.7285908849243372
Energy: 0.7794952458253589
Energy: 0.7289835603306802
Energy: 0.8019690445918212
Energy: 0.7289835603306802
Energy: 0.7891284049333891
Energy: 0.7272579129227277
Energy: 0.8745656753524736
Energy: 0.7272579129236557
Energy: 0.7902012074203817
Energy: 0.7275987584447142
Energy: 0.8019210195181619
Energy: 0.727598758443786
Energy: 0.8598285382643761
Energy: 0.6957826593235549
Energy: 0.7898741157867084
Energy: 0.6957826593235549
Energy: 0.7902752793626234
Energy: 0.7308590766399418
Energy: 0.7985519985172492
Energy: 0.7308590766399418
Energy: 0.8061933184918512
Energy: 0.6973217564865926
Energy: 0.8416729333210107
Energy: 0.6973217564865926
Energy: 0.8018980353865899
Energy: 0.7396140721933672
Energy: 0.7985041796008047
Energy: 0.7396140721933672
Energy: 0.8485312048337242
Energy: 0.6800813298495963
Energy: 0.8239985298151844
Energy: 0.6800813298495963
Energy: 0.8018470659729973
Energy: 0.7518237471070579
Energy: 0.8065350951588626
Energy: 0.751823747107986
Energy: 0.7869090564275626
Energy: 0.680129772953816
Energy: 0.8369237865895702
Energy: 0.680129772953816
Energy: 0.8224023183299318
Energy: 0.6922635922701162
Energy: 0.806135918429054
Energy: 0.6922635922701162
Energy: 0.8106375261383721
Energy: 0.6802448215760583
Energy: 0.80445735371635
Energy: 0.6802448215760583
Energy: 0.8221784394486193
Energy: 0.7218608474520077
Energy: 0.8215364753573712
Energy: 0.7218608474529359
Energy: 0.7843990307862382
Energy: 0.680249624352337
Energy: 0.8150134840905193
Energy: 0.6802496243532651
Energy: 0.8167006904337133
Energy: 0.7204373991177031
Energy: 0.8212138327794087
Energy: 0.7204373991177031
Energy: 0.7883073868494416
Energy: 0.6802943829778775
Energy: 0.804851640634802
Energy: 0.6802943829769494
Energy: 0.8220191541147504
Energy: 0.7202435873077165
Energy: 0.8212559015493753
Energy: 0.7202435873067883
Energy: 0.7998969751618211
Energy: 0.6802998768700785
Energy: 0.8095232157649481
Energy: 0.6802998768700785
Energy: 0.7913793501621442
Energy: 0.6932393847418441
Energy: 0.8184370186506582
Energy: 0.6932393847427721
Energy: 0.7856068736500875
Energy: 0.6802264906819742
Energy: 0.7806823036541085
Energy: 0.6802264906829021
Energy: 0.8022453929265683
Energy: 0.6934160713017001
Energy: 0.8069086868926786
Energy: 0.6934160713007932
Energy: 0.7855357641177891
Energy: 0.6802424227750783
Energy: 0.8209280179703426
Energy: 0.6802424227750783
Energy: 0.8025069885661651
Energy: 0.7388673391723694
Energy: 0.793513543545493
Energy: 0.7388673391723694
Energy: 0.8062162559752465
Energy: 0.6969488586181932
Energy: 0.7828016244988648
Energy: 0.6969488586181932
Energy: 0.7903380594696748
Energy: 0.7305453063987665
Energy: 0.7984810098629571
Energy: 0.7305453063996944
Energy: 0.7998104629367807
Energy: 0.6957392841338977
Energy: 0.7906580421532351
Energy: 0.6957392841329697
Energy: 0.8093003332930256
Energy: 0.7335486260306312
Energy: 0.774398398511742
Energy: 0.7335486260297032
Energy: 0.7876470311575849
Energy: 0.7272252303042257
Energy: 0.7976749716271875
Energy: 0.7272252303042257
Energy: 0.7803395773726003
Energy: 0.7290424241702489
Energy: 0.801946882064236
Energy: 0.7290424241702489
Energy: 0.828985478521402
Energy: 0.7285046854373459
Energy: 0.7919261648670323
Energy: 0.7285046854364178
Energy: 0.8267558781815896
Energy: 0.6970502439973971
Energy: 0.7825764358847463
Energy: 0.6970502439973971
Energy: 0.7876070117596055
Energy: 0.7271548741716359
Energy: 0.7963606092552423
Energy: 0.7271548741716359
Energy: 0.790314925026605
Energy: 0.6791022223076115
Energy: 0.8018526391337251
Energy: 0.6791022223076115
Energy: 0.7999791200483782
Energy: 0.6957504438846307
Energy: 0.7918932217438077
Energy: 0.6957504438837027
Energy: 0.8091780388786304
Energy: 0.679289521681288
Energy: 0.793690998358933
Energy: 0.679289521681288
Energy: 0.8058295861827353
Energy: 0.6966600805310567
Energy: 0.7825601625467805
Energy: 0.6966600805310567
Energy: 0.8023996119414238
Energy: 0.6785690657181195
Energy: 0.798568105677804
Energy: 0.6785690657181195
Energy: 0.7854543814459557
Energy: 0.6799382907634426
Energy: 0.8213548474734201
Energy: 0.6799382907634426
Energy: 0.8052360269896798
Energy: 0.678916476895964
Energy: 0.81860488762848
Energy: 0.678916476895036
Energy: 0.7837659633344407
Energy: 0.6799769715888867
Energy: 0.7808044463793589
Energy: 0.6799769715888867
Energy: 0.8223207704978296
Energy: 0.6932683481972927
Energy: 0.8063739519034625
Energy: 0.6932683481972927
Energy: 0.7998205680944178
Energy: 0.6788635917207871
Energy: 0.8071951754011937
Energy: 0.6788635917217152

minimum gb energy = 0.6785690657181195 eV
minimum distance =  2.29517022802789 Angstroms
sigma value = 113


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

Energy: 0.015091472912265137
Energy: 0.015231538838760793
Energy: 1.2149514487703268
Energy: 0.015231538838047357
Energy: 0.01586170166450529
Energy: 0.6840726089530813
Energy: 0.01586170166450529
Energy: 0.6840726089537947
Energy: 1.2149514487710007
Energy: 0.015231538838047357
Energy: 0.015091472912265137
Energy: 0.015231538838760793
Energy: 0.01586170166450529
Energy: 0.6840726089537947
Energy: 0.01586170166450529
Energy: 0.6840726089530813
Energy: 0.015091472912265137
Energy: 0.015231538838047357
Energy: 1.2149514487710007
Energy: 0.015231538838047357
Energy: 0.01586170166379185
Energy: 0.6840726089530813
Energy: 0.01586170166450529
Energy: 0.6840726089537947

minimum gb energy = 0.015091472912265137 eV
minimum distance =  2.4456176495203 Angstroms
sigma value = 1