Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
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=2.855324625968933
cohesive_energy=4.122759316665687
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: 0.012772678336557224
Energy: 0.012892825526827321
Energy: 2.770866412246708
Energy: 0.012892825526827321
Energy: 0.012892825526827321
Energy: 0.01317241030606564
Energy: 0.4267293757312756
Energy: 0.013172410307071005
Energy: 2.770866412246708
Energy: 0.4267293757312756
Energy: 0.426381424872209
Energy: 0.4267293757302982
Energy: 0.012892825526827321
Energy: 0.013172410307071005
Energy: 0.4267293757302982
Energy: 0.01317241030606564

minimum gb energy = 0.012772678336557224 eV
minimum distance =  2.47005418701136 Angstroms
sigma value = 1


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

Energy: 1.3938952271266922
Energy: 1.207590955227716
Energy: 2.2380853678872206
Energy: 1.2075909552289352
Energy: 1.4254022665679857
Energy: 0.8936872818881529
Energy: 1.0405723161040936
Energy: 0.8936872818893723
Energy: 1.5876685459608688
Energy: 0.9043644989204591
Energy: 0.8974620003506428
Energy: 0.9043644989180206
Energy: 1.311733816213724
Energy: 0.8956931629783262
Energy: 0.9765259472435124
Energy: 0.8956931629783262
Energy: 1.3122605627464
Energy: 0.8955163272818352
Energy: 1.282956823634267
Energy: 0.8955163272806158
Energy: 1.4246086641179168
Energy: 0.8897343919668229
Energy: 0.8888628607378029
Energy: 0.8897343919656037
Energy: 1.0918318438768464
Energy: 1.1412679702041222
Energy: 0.8887690493559048
Energy: 1.1412679702016837
Energy: 0.8944881394507647
Energy: 0.8880871125325347
Energy: 1.2742745745836421
Energy: 0.8880871125337539
Energy: 1.099831838100059
Energy: 1.034687785354083
Energy: 1.2628648502489095
Energy: 1.0346877853528635
Energy: 1.4472379125787518
Energy: 1.1374860045515838
Energy: 1.1221474675969576
Energy: 1.1374860045540225
Energy: 0.8926711027799464
Energy: 1.1052441302637075
Energy: 1.1815730720079858
Energy: 1.1052441302624882
Energy: 0.8923820573845284
Energy: 0.8922249779490462
Energy: 1.780603596548958
Energy: 0.8922249779490462
Energy: 1.0774343303755018
Energy: 1.0398999493357974
Energy: 1.3158584290356536
Energy: 1.039899949333359
Energy: 0.9036134680673183
Energy: 1.1394137962588895
Energy: 1.3536975590262377
Energy: 1.1394137962601087
Energy: 0.9062704756005808
Energy: 0.8882731257675583
Energy: 1.4201047696438978
Energy: 0.8882731257651197
Energy: 0.9605044747692895
Energy: 0.8882706278134123
Energy: 1.4232408222530726
Energy: 0.8882706278121929
Energy: 0.9036415521441445
Energy: 1.1392025981200664
Energy: 1.3560482169566568
Energy: 1.1392025981200664
Energy: 1.0817059982930808
Energy: 1.1049970158443987
Energy: 1.292329883734127
Energy: 1.1049970158443987
Energy: 0.8924480796898233
Energy: 0.8924073940028546
Energy: 1.8106265099949284
Energy: 0.8924073940028546
Energy: 0.892832468001069
Energy: 1.0394768780367123
Energy: 1.094834516978999
Energy: 1.0394768780354928
Energy: 1.4462117425580636
Energy: 1.1371730461053162
Energy: 1.1137448874731817
Energy: 1.1371730461040972
Energy: 1.0934094917467951
Energy: 1.0281273041747525
Energy: 1.2627197751947927
Energy: 1.0281273041735335
Energy: 1.1165128015161505
Energy: 0.8881483950736935
Energy: 1.089981619762624
Energy: 0.888148395076132
Energy: 1.2587356890280814
Energy: 1.1401506120087095
Energy: 0.8888164745080191
Energy: 1.1401506120074902
Energy: 1.422990165908213
Energy: 0.889700406103988
Energy: 0.8888912695474261
Energy: 0.889700406103988
Energy: 1.3541240760518305
Energy: 0.8942926849341684
Energy: 1.2818764034402796
Energy: 0.8942926849341684
Energy: 1.2839648466443883
Energy: 0.8957214819759833
Energy: 0.9044327555429386
Energy: 0.895721481974764
Energy: 1.58768089239824
Energy: 0.9043169701431694
Energy: 0.923433725316685
Energy: 0.9043169701431694
Energy: 1.426262408623437
Energy: 0.8935462246355081
Energy: 1.0408653207937533
Energy: 0.8935462246367274
Energy: 1.3878542698220204
Energy: 1.1513682223380595
Energy: 0.9046317703310557
Energy: 1.1513682223380595
Energy: 1.4260099702895261
Energy: 0.8934928265395924
Energy: 0.9777823619497871
Energy: 0.8934928265395924
Energy: 1.425344248873092
Energy: 0.8915643598146162
Energy: 0.8978480342278436
Energy: 0.8915643598146162
Energy: 1.3126964369317973
Energy: 0.8951608223530467
Energy: 0.9764241440617245
Energy: 0.8951608223530467

minimum gb energy = 0.8880871125325347 eV
minimum distance =  2.31699214649692 Angstroms
sigma value = 1


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

Energy: 1.5029614959376454
Energy: 1.223909513741046
Energy: 2.2928509446885146
Energy: 1.223909513741046
Energy: 1.3324664925821634
Energy: 1.0672617216364262
Energy: 1.1180503682762615
Energy: 1.0672617216364262
Energy: 1.3418848893727837
Energy: 0.9393882286898351
Energy: 0.9484790736858244
Energy: 0.939388228688445
Energy: 0.9231940286995091
Energy: 0.9234295326983465
Energy: 1.1180064579082953
Energy: 0.9234295326983465
Energy: 0.9230554939159998
Energy: 0.9239333267643361
Energy: 1.384433406943379
Energy: 0.9239333267643361
Energy: 1.3428805644576127
Energy: 0.9228479147605265
Energy: 0.9232720811766177
Energy: 0.9228479147591361
Energy: 1.0061764266272935
Energy: 0.9947787806903852
Energy: 0.9231732826360953
Energy: 0.9947787806917753
Energy: 0.922794443794439
Energy: 0.9229926810590143
Energy: 1.3743275083025452
Energy: 0.9229926810604046
Energy: 1.006206695295184
Energy: 1.0671398271232038
Energy: 1.341856372759831
Energy: 1.0671398271232038
Energy: 1.118352322052938
Energy: 0.924057501435785
Energy: 0.9268245668347097
Energy: 0.9240575014371751
Energy: 1.0100053519883494
Energy: 0.9238710975357535
Energy: 1.3421491251323725
Energy: 0.9238710975357535
Energy: 1.0100131717052256
Energy: 0.9228119503880413
Energy: 1.7170191628756886
Energy: 0.9228119503880413
Energy: 1.1182672157906317
Energy: 1.0668591415735245
Energy: 1.3980273350605825
Energy: 1.0668591415735245
Energy: 1.1182672157892415
Energy: 1.0668809086771018
Energy: 1.398445769478874
Energy: 1.0668809086784918
Energy: 1.0100401461059934
Energy: 0.9229170197215447
Energy: 1.7168296380895196
Energy: 0.9229170197215447
Energy: 1.0099951005090633
Energy: 0.923898599651122
Energy: 1.342174163163588
Energy: 0.923898599651122
Energy: 1.1183523220515796
Energy: 0.9242593696057432
Energy: 0.9268229278253518
Energy: 0.9242593696057432
Energy: 1.006377966395059
Energy: 1.0672223011406468
Energy: 1.3419629944773181
Energy: 1.0672223011420372
Energy: 0.9227969495397813
Energy: 0.9229914677950875
Energy: 1.3743275083080744
Energy: 0.9229914677950875
Energy: 1.0061591428537349
Energy: 0.9943696885316164
Energy: 0.9233568236468105
Energy: 0.9943696885302263
Energy: 1.341505910729103
Energy: 0.9228661179701018
Energy: 0.9232740517036129
Energy: 0.9228661179687114
Energy: 0.9230228122478775
Energy: 0.9236202603084925
Energy: 1.38443340693924
Energy: 0.9236202603084925
Energy: 0.9231728411143262
Energy: 0.923742510587587
Energy: 1.118006457905515
Energy: 0.9237425105861969
Energy: 1.3423014697044404
Energy: 0.9394061861539419
Energy: 0.9481855592478219
Energy: 0.939406186155332
Energy: 1.3324725647547102
Energy: 1.0672954208064245
Energy: 1.1180503682762615
Energy: 1.0672954208064245
Energy: 1.5029614959376454
Energy: 1.223909513741046
Energy: 2.2928509446885146
Energy: 1.2239095137424363
Energy: 1.3324664925821634
Energy: 1.0672617216364262
Energy: 1.1180503682748713
Energy: 1.0672617216364262
Energy: 1.341884889374174
Energy: 0.939388228688445
Energy: 0.9484790736844343
Energy: 0.9393882286898351
Energy: 0.9231940286995091
Energy: 0.9234295326969563
Energy: 1.1180064579069051
Energy: 0.9234295326969563

minimum gb energy = 0.922794443794439 eV
minimum distance =  2.30829511541371 Angstroms
sigma value = 25


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

Energy: 1.328132374773788
Energy: 1.0972713722181844
Energy: 2.274890215530475
Energy: 1.0972713722181844
Energy: 1.4354647710246058
Energy: 0.9839147912818534
Energy: 1.187190660150806
Energy: 0.9839147912818534
Energy: 1.4268869504618604
Energy: 0.9970516328647
Energy: 1.0246877264920948
Energy: 0.9970516328647
Energy: 1.2818522659945202
Energy: 0.9820483904203726
Energy: 1.1051725183440468
Energy: 0.9820483904219887
Energy: 1.251013275711904
Energy: 0.981864722151419
Energy: 1.2845666302235255
Energy: 0.981864722151419
Energy: 1.42590568270579
Energy: 0.9833670735689556
Energy: 0.982742532635329
Energy: 0.983367073570535
Energy: 0.995847470597362
Energy: 0.9819712378744924
Energy: 0.9827726379641073
Energy: 0.9819712378744924
Energy: 0.9978775236821907
Energy: 0.9954579936744722
Energy: 1.4523861295279603
Energy: 0.9954579936760883
Energy: 1.0838510222312079
Energy: 1.2080729819754776
Energy: 1.2535318916387863
Energy: 1.2080729819754776
Energy: 1.0721761707699333
Energy: 0.9906795363006881
Energy: 1.3151022991063632
Energy: 0.9906795363006881
Energy: 1.0717546797420272
Energy: 1.0653701841068028
Energy: 1.4336862759816722
Energy: 1.0653701841084189
Energy: 1.0892986372676248
Energy: 0.9954960168689676
Energy: 1.4256577506327457
Energy: 0.9954960168673515
Energy: 1.072013600348481
Energy: 0.9903186152075499
Energy: 1.2989292225507103
Energy: 0.9903186152059337
Energy: 1.127164469893678
Energy: 0.9821388434797279
Energy: 1.2519675511083173
Energy: 0.9821388434781118
Energy: 0.9948999894620094
Energy: 0.9957398816109775
Energy: 1.6826813372782503
Energy: 0.9957398816109775
Energy: 0.995202965502131
Energy: 0.9827108149441451
Energy: 0.9828521903461153
Energy: 0.9827108149441451
Energy: 1.6955444767105554
Energy: 0.983508960689655
Energy: 0.9825762487132457
Energy: 0.983508960689655
Energy: 1.2513567008820146
Energy: 0.9830657853851126
Energy: 1.2850560279452974
Energy: 0.9830657853851126
Energy: 1.3091528231360003
Energy: 0.9822042502238935
Energy: 1.1052238845925533
Energy: 0.9822042502222773
Energy: 1.2706294913706422
Energy: 0.9829652630841191
Energy: 1.0022611792761673
Energy: 0.982965263082503
Energy: 1.4350706259537138
Energy: 0.9834728306153481
Energy: 1.0508091382302043
Energy: 0.9834728306153481
Energy: 1.3295348488197645
Energy: 0.9908480635159586
Energy: 1.0271393611623494
Energy: 0.9908480635159586
Energy: 1.4351096055143158
Energy: 1.1270555937375075
Energy: 1.1870401428372674
Energy: 1.1270555937375075
Energy: 1.426246076614729
Energy: 1.023955664239548
Energy: 1.0239578430329674
Energy: 1.0239556642411642
Energy: 1.2510691399059397
Energy: 0.9818940505321749
Energy: 1.0249906653805292
Energy: 0.9818940505321749

minimum gb energy = 0.981864722151419 eV
minimum distance =  2.3200443603482 Angstroms
sigma value = 9


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

Energy: 1.2371147900907542
Energy: 1.235208097345202
Energy: 2.338871824311774
Energy: 1.235208097345399
Energy: 1.2169633019555337
Energy: 1.0486073413354529
Energy: 1.0487209783626759
Energy: 1.0486073413346864
Energy: 1.2926785327422814
Energy: 1.0701113710594339
Energy: 1.075990782752934
Energy: 1.0701113710594339
Energy: 1.231081512048948
Energy: 1.0456627618952778
Energy: 1.0455301602573543
Energy: 1.0456627618945114
Energy: 1.198918898351128
Energy: 1.0457142711914709
Energy: 1.293000845834743
Energy: 1.045714271192632
Energy: 1.6822698631652062
Energy: 1.0456138367877665
Energy: 1.2309990159061073
Energy: 1.0456138367881609
Energy: 1.0814180043266368
Energy: 1.0456741680580817
Energy: 1.19814200891541
Energy: 1.0456741680577093
Energy: 1.1524762804320796
Energy: 1.152470298697697
Energy: 1.5247401154958047
Energy: 1.1524702986975217
Energy: 1.2803776698624632
Energy: 1.0265269576240794
Energy: 1.0093967554366177
Energy: 1.0265269576242764
Energy: 1.2802770249704565
Energy: 1.0096698770900845
Energy: 1.009538175019865
Energy: 1.0096698770897121
Energy: 1.0485449993023666
Energy: 1.026715108981521
Energy: 1.5238189941536293
Energy: 1.02671510898036
Energy: 1.170028285735077
Energy: 1.01001855157244
Energy: 1.2925312220805754
Energy: 1.0100185515722429
Energy: 1.2987482267201853
Energy: 1.2401433958579016
Energy: 1.2373921242858017
Energy: 1.2401433958586683
Energy: 1.3133578843948577
Energy: 1.1032213231686607
Energy: 1.2307141925418073
Energy: 1.103221323167894
Energy: 1.237312091366972
Energy: 1.2403338791078986
Energy: 1.2761825658982524
Energy: 1.2403338791052039
Energy: 1.1984813225792195
Energy: 1.0096137620380945
Energy: 1.075190762235858
Energy: 1.0096137620382917
Energy: 1.5378829901976185
Energy: 1.197277376230956
Energy: 1.1525331453630823
Energy: 1.1972773762319198
Energy: 1.2346334031455255
Energy: 1.2348079273282107
Energy: 1.2760651589592582
Energy: 1.234807927329744
Energy: 1.216791732554578
Energy: 1.048066465512861
Energy: 1.2767831365079334
Energy: 1.0480664655122696
Energy: 1.5374275100592023
Energy: 1.0755099345139505
Energy: 1.075928100153837
Energy: 1.0755099345141477
Energy: 1.198301487516486
Energy: 1.193580378872304
Energy: 1.1524229013840934
Energy: 1.1935803788725012

minimum gb energy = 1.0093967554366177 eV
minimum distance =  2.2669083919416 Angstroms
sigma value = 25


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

Energy: 1.1100767125467694
Energy: 1.3545857060358155
Energy: 2.282499290497633
Energy: 1.3545857060346236
Energy: 1.486176516028334
Energy: 1.1933079293883315
Energy: 1.1463547180223557
Energy: 1.1933079293883315
Energy: 1.2996564182940558
Energy: 1.1495690625962367
Energy: 1.1457856749232458
Energy: 1.149569062596941
Energy: 1.1342345082683438
Energy: 1.1152065217913252
Energy: 1.1481645154069084
Energy: 1.1152065217917857
Energy: 1.235550437434377
Energy: 1.1880770170082795
Energy: 1.4940788217433218
Energy: 1.1880770170087402
Energy: 1.562967257565193
Energy: 1.0889546582249585
Energy: 1.0887724907523542
Energy: 1.088954658224227
Energy: 1.1943208924204627
Energy: 1.1134203505516882
Energy: 1.1597524055272836
Energy: 1.1134203505512006
Energy: 1.1956377618363798
Energy: 1.2044729818638817
Energy: 1.5164319818837748
Energy: 1.204472981863394
Energy: 1.1939219606954752
Energy: 1.0888488460961046
Energy: 1.0883560449721743
Energy: 1.0888488460951293
Energy: 1.299697705466183
Energy: 1.088882023571738
Energy: 1.0881939149923763
Energy: 1.0888820235705459
Energy: 1.113062647646227
Energy: 1.113587649801812
Energy: 1.4313747892485342
Energy: 1.113587649801568
Energy: 1.1132973872252436
Energy: 1.0882419267534464
Energy: 1.1486290102282535
Energy: 1.0882419267529588
Energy: 1.3693744450863397
Energy: 1.148631117234534
Energy: 1.14906231905039
Energy: 1.1486311172338026
Energy: 1.490948897216042
Energy: 1.088246536033316
Energy: 1.3236023920087576
Energy: 1.0882465360340206
Energy: 1.3055941757794913
Energy: 1.3168139757706492
Energy: 1.3269554469181375
Energy: 1.3168139757706492
Energy: 1.4863516049455636
Energy: 1.1154934343338285
Energy: 1.1485660271721783
Energy: 1.1154934343335847
Energy: 1.1135956495342332
Energy: 1.0915105510812995
Energy: 1.149823042226858
Energy: 1.0915105510815435

minimum gb energy = 1.0881939149923763 eV
minimum distance =  2.28799834486519 Angstroms
sigma value = 17


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

Energy: 1.4216670642005298
Energy: 1.3038662442122533
Energy: 2.223522419131944
Energy: 1.3038662442122533
Energy: 1.3491246254597944
Energy: 1.1966506296165638
Energy: 1.1921981722585244
Energy: 1.1966506296165638
Energy: 1.1440847321889605
Energy: 1.132400998626975
Energy: 1.153790759164732
Energy: 1.1324009986242745
Energy: 1.1190182892500213
Energy: 1.1183981477947635
Energy: 1.1630191957311813
Energy: 1.1183981477920633
Energy: 1.147839166197591
Energy: 1.2052651768244351
Energy: 1.3865614189488409
Energy: 1.2052651768257854
Energy: 1.561094190330136
Energy: 1.2850731035403273
Energy: 1.1286424539376434
Energy: 1.2850731035430278
Energy: 1.301046637560378
Energy: 1.1171626321508998
Energy: 1.3855698552833648
Energy: 1.1171626321536001
Energy: 1.177749403453228
Energy: 1.1174981423161094
Energy: 1.4358043317706628
Energy: 1.1174981423161094
Energy: 1.1971942401435718
Energy: 1.1274395868037532
Energy: 1.1248791027173541
Energy: 1.1274395868037532
Energy: 1.4245819936273654
Energy: 1.2031354723404684
Energy: 1.1265015115684802
Energy: 1.2031354723418186
Energy: 1.1226031666361664
Energy: 1.121157878473863
Energy: 1.4024548605956422
Energy: 1.121157878473863
Energy: 1.1201694311714436
Energy: 1.126010355402855
Energy: 1.2605888153520621
Energy: 1.126010355402855
Energy: 1.4245491966335202
Energy: 1.1786177068998045
Energy: 1.2141048695190138
Energy: 1.1786177069011547
Energy: 1.1199887458556455
Energy: 1.120946206561352
Energy: 1.2106273926769235
Energy: 1.1209462065627025
Energy: 1.1200872378746054
Energy: 1.2092318073833
Energy: 1.4578560995038667
Energy: 1.2092318073846502
Energy: 1.3739792165682216
Energy: 1.1254523657839566
Energy: 1.124194584200275
Energy: 1.1254523657826063
Energy: 1.1766246780614529
Energy: 1.279447231442853
Energy: 1.1251396383378778
Energy: 1.279447231442853
Energy: 1.1664031786550286
Energy: 1.1850921392529155
Energy: 1.3711923329733737
Energy: 1.1850921392556162
Energy: 1.3010574716552978
Energy: 1.281882880926608
Energy: 1.3695405189743053
Energy: 1.2818828809239076
Energy: 1.5212143454178055
Energy: 1.2039436076121397
Energy: 1.3707609366351061
Energy: 1.2039436076107894
Energy: 1.1278682465949104
Energy: 1.143524052683103
Energy: 1.3923390354051235
Energy: 1.143524052683103
Energy: 1.1297013152431112
Energy: 1.1258279837313467
Energy: 1.1442342832174666
Energy: 1.125827983728646
Energy: 1.3742404665218486
Energy: 1.144688985976719
Energy: 1.1439074636302167
Energy: 1.1446889859780693
Energy: 1.3761228410929527
Energy: 1.2282890513206415
Energy: 1.397675269313779
Energy: 1.2282890513206415
Energy: 1.3926891341871444
Energy: 1.2292876686945717
Energy: 1.39440109501484
Energy: 1.2292876686945717
Energy: 1.3778830741908035
Energy: 1.1445809061200156
Energy: 1.1447691910297597
Energy: 1.1445809061213659
Energy: 1.1295217570707772
Energy: 1.1256031464766079
Energy: 1.1309919051242674
Energy: 1.1256031464793081
Energy: 1.1282914436646083
Energy: 1.1281459855569724
Energy: 1.378644749372411
Energy: 1.1281459855583227
Energy: 1.1430122682855393
Energy: 1.2093164495131585
Energy: 1.3740547335063498
Energy: 1.2093164495118083
Energy: 1.2839403647350307
Energy: 1.2852293429080959
Energy: 1.1263026405316405
Energy: 1.285229342909446

minimum gb energy = 1.1171626321508998 eV
minimum distance =  2.26268858471822 Angstroms
sigma value = 53


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

Energy: 1.0334729119525643
Energy: 1.0485902220275478
Energy: 2.31600225993115
Energy: 1.0485902220269474
Energy: 1.0344426003144618
Energy: 1.0765796634582039
Energy: 1.0340239801770887
Energy: 1.076579663458486
Energy: 1.5318826365559841
Energy: 1.138401034531089
Energy: 1.1146538696246708
Energy: 1.138401034531089
Energy: 1.1146472807505996
Energy: 1.1384382557339725
Energy: 1.5345742097442872
Energy: 1.1384382557339725
Energy: 1.0342399002755907
Energy: 1.0768174597698807
Energy: 1.034226329383598
Energy: 1.076817459768927
Energy: 2.316002259934576
Energy: 1.0485902220266294
Energy: 1.0334729119525643
Energy: 1.04859022202723
Energy: 1.0340239801764881
Energy: 1.0765796634588043
Energy: 1.034442600314144
Energy: 1.0765796634588043
Energy: 1.114653869624035
Energy: 1.1384010345314068
Energy: 1.5318826365556661
Energy: 1.1384010345314068
Energy: 1.5345742097436865
Energy: 1.1384382557339725
Energy: 1.1146472807502814
Energy: 1.1384382557336545
Energy: 1.034226329383598
Energy: 1.0768174597698807
Energy: 1.0342399002752725
Energy: 1.076817459769563
Energy: 1.0334729119525643
Energy: 1.0485902220269474
Energy: 2.3160022599342582
Energy: 1.048590222027866
Energy: 1.0344426003147797
Energy: 1.076579663458486
Energy: 1.034023980176806
Energy: 1.0765796634578857
Energy: 1.5318826365563023
Energy: 1.138401034531089
Energy: 1.1146538696243529
Energy: 1.138401034531089

minimum gb energy = 1.0334729119525643 eV
minimum distance =  2.26874448069617 Angstroms
sigma value = 9


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

Energy: 1.2726548667173445
Energy: 1.2833720153335497
Energy: 2.188095923813556
Energy: 1.2833720153323993
Energy: 1.4741149090003962
Energy: 1.2481065520605712
Energy: 1.2312645472451593
Energy: 1.2481065520594206
Energy: 1.197483412729094
Energy: 1.160841128426048
Energy: 1.159628469268082
Energy: 1.160841128423747
Energy: 1.201562389101506
Energy: 1.2311018657601305
Energy: 1.2313963326012904
Energy: 1.2311018657578294
Energy: 1.296653370267447
Energy: 1.1553008927237742
Energy: 1.4768348188622806
Energy: 1.155300892721473
Energy: 1.520801004328327
Energy: 1.2337022732220455
Energy: 1.258388892040525
Energy: 1.233702273223196
Energy: 1.2153773359644744
Energy: 1.2484243174818006
Energy: 1.5363892819326987
Energy: 1.2484243174818006
Energy: 1.155357477410976
Energy: 1.2121727941133864
Energy: 1.237637950537925
Energy: 1.2121727941133864
Energy: 1.2151455981007007
Energy: 1.2169363778436186
Energy: 1.2159966428426165
Energy: 1.2169363778413171
Energy: 1.255564913004605
Energy: 1.1594909530078412
Energy: 1.2943717362604878
Energy: 1.1594909530089916
Energy: 1.172694836670326
Energy: 1.2309523065022
Energy: 1.5670078459932244
Energy: 1.2309523065033505
Energy: 1.5855472999929998
Energy: 1.277915066235731
Energy: 1.20665258261286
Energy: 1.2779150662322791
Energy: 1.2321194171891858
Energy: 1.1684068158929821
Energy: 1.1702140898664777
Energy: 1.168406815890681
Energy: 1.245426178939692
Energy: 1.2624585050936201
Energy: 1.3039994160453185
Energy: 1.2624585050924697
Energy: 1.2777125154242752
Energy: 1.2574601956348526
Energy: 1.2072336509758215
Energy: 1.2574601956325515
Energy: 1.550592657720615
Energy: 1.168519837933667
Energy: 1.1728634008163303
Energy: 1.1685198379325166
Energy: 1.2593523288117936
Energy: 1.2363691769439615
Energy: 1.6153939587489585
Energy: 1.2363691769439615
Energy: 1.1754131289215808
Energy: 1.2273151454431839
Energy: 1.2914925779569713
Energy: 1.2273151454443343
Energy: 1.514430238592923
Energy: 1.2504111661853714
Energy: 1.2143046333611878
Energy: 1.2504111661808215
Energy: 1.201768341036349
Energy: 1.2494846739988428
Energy: 1.211832227051377
Energy: 1.2494846739965417
Energy: 1.1570121114307137
Energy: 1.2094639652575698
Energy: 1.4999416471658558
Energy: 1.2094639652552688
Energy: 1.4060693783151956
Energy: 1.260617086038586
Energy: 1.2557267200463729
Energy: 1.260617086038586
Energy: 1.3492408610388227
Energy: 1.231613280011574
Energy: 1.256873029274629
Energy: 1.231613280011574
Energy: 1.2539182227308434
Energy: 1.1955340668222973
Energy: 1.5007157650846914
Energy: 1.1955340668153942
Energy: 1.2111090094395527
Energy: 1.2473505157345632
Energy: 1.1835927093545944
Energy: 1.2473505157334128
Energy: 1.3507870089689005
Energy: 1.225014238506198
Energy: 1.18582722461149
Energy: 1.225014238503897
Energy: 1.3741824559406224
Energy: 1.2452029569939547
Energy: 1.3130317974194983
Energy: 1.2452029569893526
Energy: 1.271214382582834
Energy: 1.2456746088880306
Energy: 1.427798220373315
Energy: 1.2456746088903317
Energy: 1.501982711325508
Energy: 1.2260850071928435
Energy: 1.1982404894762702
Energy: 1.2260850071951448
Energy: 1.206621287260618
Energy: 1.2892963653496035
Energy: 1.1838568097404238
Energy: 1.2892963653496035
Energy: 1.1963951257097014
Energy: 1.2318006974596936
Energy: 1.4986590032131586
Energy: 1.231800697460844
Energy: 1.3500093247584881
Energy: 1.24561916790049
Energy: 1.2592610162371258
Energy: 1.245619167898189
Energy: 1.5454793457294034
Energy: 1.242870178895129
Energy: 1.2625874147458613
Energy: 1.2428701788962797
Energy: 1.2039180478505822
Energy: 1.2091538386735552
Energy: 1.4887492632369537
Energy: 1.2091538386747058
Energy: 1.2004058831822861
Energy: 1.2501984891067266
Energy: 1.2118350319658824
Energy: 1.250198489107877

minimum gb energy = 1.155300892721473 eV
minimum distance =  2.24392506328577 Angstroms
sigma value = 73


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

Energy: 1.3853059150386495
Energy: 1.268844292056912
Energy: 2.2293753075720746
Energy: 1.2688442920565388
Energy: 1.3445143586145003
Energy: 1.2596196261118828
Energy: 1.2706358826402404
Energy: 1.2596196261116963
Energy: 1.2306463741142204
Energy: 1.2158823768136384
Energy: 1.1739412525925057
Energy: 1.2158823768136384
Energy: 1.2019770295600565
Energy: 1.1807025781937044
Energy: 1.2702253982501392
Energy: 1.1807025781960692
Energy: 1.3559872653479172
Energy: 1.1802933701111107
Energy: 1.313780939217003
Energy: 1.1802933701109446
Energy: 1.6491238193642923
Energy: 1.2607653006340693
Energy: 1.1845025586991373
Energy: 1.2607653006344428
Energy: 1.234648455313463
Energy: 1.2456002399527673
Energy: 1.421085029729685
Energy: 1.2456002399534933
Energy: 1.1822981142989986
Energy: 1.18047303995789
Energy: 1.2601229550404607
Energy: 1.1804730399586163
Energy: 1.406944405688522
Energy: 1.215765605949339
Energy: 1.3182655990134673
Energy: 1.215765605949339
Energy: 1.2241651015344692
Energy: 1.215675607259148
Energy: 1.3058571624533513
Energy: 1.215675607258795
Energy: 1.180449418208638
Energy: 1.1803261331162263
Energy: 1.5574096853844197
Energy: 1.1803261331153134
Energy: 1.4872473658492207
Energy: 1.2657170258011836
Energy: 1.3142469523347362
Energy: 1.2657170258008104
Energy: 1.3542422038649646
Energy: 1.25890589938811
Energy: 1.1818240920593885
Energy: 1.2589058993886495
Energy: 1.2305753305809617
Energy: 1.315798717857598
Energy: 1.5702986299291637
Energy: 1.3157987178574113
Energy: 1.1993559555469275
Energy: 1.1802531754576369
Energy: 1.2477490272131442
Energy: 1.180253175459089
Energy: 1.321548521283118
Energy: 1.2160568406063337
Energy: 1.2097819005776589
Energy: 1.2160568406067072
Energy: 1.310084867716717
Energy: 1.27044037441665
Energy: 1.5758100319354513
Energy: 1.2704403744148245
Energy: 1.3104749893067456
Energy: 1.2702232130559825
Energy: 1.5096682299071225
Energy: 1.2702232130552358
Energy: 1.613439923813048
Energy: 1.2168058794042227
Energy: 1.270913979955066
Energy: 1.2168058794036627
Energy: 1.1991507365567937
Energy: 1.2667543042537321
Energy: 1.1738599277703852
Energy: 1.2667543042539187
Energy: 1.23049330349102
Energy: 1.2837542017817047
Energy: 1.5718310071545085
Energy: 1.2837542017806054
Energy: 1.354717307394955
Energy: 1.2658937964607355
Energy: 1.181827598011478
Energy: 1.2658937964622083

minimum gb energy = 1.1738599277703852 eV
minimum distance =  2.23951936235663 Angstroms
sigma value = 7


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

Energy: 1.4773334824014972
Energy: 1.2861766974612223
Energy: 2.2215836030160707
Energy: 1.2861766974625133
Energy: 1.4085176111247046
Energy: 1.2802259408991046
Energy: 1.2441002595072566
Energy: 1.2802259408978138
Energy: 1.2796927632086685
Energy: 1.2120355415253081
Energy: 1.2130315485014227
Energy: 1.2120355415253081
Energy: 1.2340572517957535
Energy: 1.183225817952532
Energy: 1.2154708950814455
Energy: 1.183225817952532
Energy: 1.302504107113154
Energy: 1.2119788171784536
Energy: 1.1844379499106545
Energy: 1.2119788171784536
Energy: 1.6552019871762014
Energy: 1.1831496850282992
Energy: 1.185741258958575
Energy: 1.1831496850295902
Energy: 1.2598271681406623
Energy: 1.2942275848243565
Energy: 1.5328068231057983
Energy: 1.2942275848243565
Energy: 1.1857489052583794
Energy: 1.1832606349312424
Energy: 1.2967103443105503
Energy: 1.1832606349312424
Energy: 1.3990664988690724
Energy: 1.2122068137835862
Energy: 1.244729867616515
Energy: 1.2122068137822954
Energy: 1.2156119847492806
Energy: 1.1837923720336763
Energy: 1.2346860654217786
Energy: 1.1837923720336763
Energy: 1.214286518331531
Energy: 1.2146357153252056
Energy: 1.3575826982756822
Energy: 1.2146357153252056
Energy: 1.594118259804724
Energy: 1.2620179552884383
Energy: 1.35921934041475
Energy: 1.2620179552871476
Energy: 1.7214297753518257
Energy: 1.3025806384252814
Energy: 1.3596672867961614
Energy: 1.3025806384252814
Energy: 1.2646474065613946
Energy: 1.2138185016754004
Energy: 1.6018719665601748
Energy: 1.2138185016766911
Energy: 1.2142409174387796
Energy: 1.257822592701702
Energy: 1.2302508222660462
Energy: 1.2578225926823405
Energy: 1.5513511637629018
Energy: 1.4397409264466565
Energy: 1.283253835334766
Energy: 1.4397409264453658
Energy: 1.1836551749367654
Energy: 1.1862323869864964
Energy: 1.2970030531680774
Energy: 1.186232386987787
Energy: 1.253424384585168
Energy: 1.2842532381440264
Energy: 1.530730858177111
Energy: 1.2842532381440264
Energy: 1.6518405326479264
Energy: 1.1845030842628759
Energy: 1.1836614156937035
Energy: 1.1845030842628759
Energy: 1.2971516982128999
Energy: 1.2127323972032304
Energy: 1.1840192249867432
Energy: 1.2127323972045212
Energy: 1.2792283502094912
Energy: 1.3151974241432338
Energy: 1.2770072863719848
Energy: 1.3151974241432338
Energy: 1.2300413290470695
Energy: 1.2122027585870778
Energy: 1.215985656633307
Energy: 1.2122027585883688
Energy: 1.4894987641021158
Energy: 1.2697571307737683
Energy: 1.2767640137269256
Energy: 1.2697571307737683
Energy: 1.3589941024281793
Energy: 1.2903167981946049
Energy: 1.712728829023474
Energy: 1.2903167981958956
Energy: 1.3643630149568564
Energy: 1.1834143984956491
Energy: 1.3096204437042862
Energy: 1.1834143984956491
Energy: 1.3598132864431018
Energy: 1.2133166124164205
Energy: 1.2158405803352164
Energy: 1.2133166124164205
Energy: 1.2311889950025343
Energy: 1.1833536307149943
Energy: 1.2154072067984854
Energy: 1.1833536307149943
Energy: 1.2970822174535657
Energy: 1.2121964498986235
Energy: 1.3981220138212882
Energy: 1.2121964498986235
Energy: 1.2973694879824063
Energy: 1.1829270517423063
Energy: 1.182832722728697
Energy: 1.1829270517423063
Energy: 1.474896866674086
Energy: 1.3649336412302961
Energy: 1.4748507285222954
Energy: 1.3649336412302961
Energy: 1.1828342876845652
Energy: 1.1829495806220127
Energy: 1.2973694879824063
Energy: 1.1829495806220127

minimum gb energy = 1.182832722728697 eV
minimum distance =  2.28255262966858 Angstroms
sigma value = 29


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

Energy: 1.123869947050432
Energy: 1.2766568052758767
Energy: 2.2109416238214967
Energy: 1.2766568052767509
Energy: 1.5046772932251116
Energy: 1.198958343796364
Energy: 1.1767373212828494
Energy: 1.198958343796364
Energy: 1.3804144512877052
Energy: 1.1535566159759514
Energy: 1.1555934471071196
Energy: 1.1535566159764012
Energy: 1.5465336941787542
Energy: 1.2768254099973988
Energy: 1.150940299670142
Energy: 1.2768254099987226
Energy: 1.5695140264928775
Energy: 1.2368308433523787
Energy: 1.1506373936683845
Energy: 1.2368308433532529
Energy: 1.3808404482331738
Energy: 1.1542961925777817
Energy: 1.154218236704781
Energy: 1.154296192577332
Energy: 1.4431156018972224
Energy: 1.2314902014437583
Energy: 1.8097600927082889
Energy: 1.231490201437614
Energy: 1.1201028664037347
Energy: 1.2305604520363294
Energy: 1.8098775856866238
Energy: 1.2305604520363294
Energy: 1.5040628989163471
Energy: 1.1754125603482732
Energy: 1.2386169114016607
Energy: 1.1754125603478482

minimum gb energy = 1.1201028664037347 eV
minimum distance =  2.34849546916961 Angstroms
sigma value = 5


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

Energy: 1.349048596262106
Energy: 1.324793391802225
Energy: 1.9658736393272815
Energy: 1.3247933918046635
Energy: 1.5335713615511695
Energy: 1.2042980764845548
Energy: 1.3200546694563098
Energy: 1.2042980764894318
Energy: 1.2238299691942383
Energy: 1.2637383892543426
Energy: 1.222970349093619
Energy: 1.2637383892531233
Energy: 1.2238507702214614
Energy: 1.2323138878465338
Energy: 1.361052423388067
Energy: 1.232313887847753
Energy: 1.1726801734735732
Energy: 1.2417018513659996
Energy: 1.1993285218369811
Energy: 1.2417018513635611
Energy: 1.2617306237191848
Energy: 1.2571356385202528
Energy: 1.2030859571164056
Energy: 1.2571356385202528
Energy: 1.3005910835105754
Energy: 1.2378437075615196
Energy: 1.3745947219141323
Energy: 1.237843707559081
Energy: 1.3027507215337437
Energy: 1.2528496755659526
Energy: 1.4222491551394771
Energy: 1.2528496755647331
Energy: 1.472129944041041
Energy: 1.2072611090421033
Energy: 1.3082698830786836
Energy: 1.2072611090433227
Energy: 1.4757780653795591
Energy: 1.2082332953161863
Energy: 1.310038842604485
Energy: 1.2082332953174058
Energy: 1.2225393847073058
Energy: 1.2526212168717878
Energy: 1.4153104442001272
Energy: 1.2526212168717878
Energy: 1.2226020763469765
Energy: 1.2674379093058907
Energy: 1.1923858963078855
Energy: 1.26743790930711
Energy: 1.3688812953789036
Energy: 1.2758178848066561
Energy: 1.1940066147923378
Energy: 1.2758178848090949
Energy: 1.19683301963551
Energy: 1.2429442407593136
Energy: 1.1941424091323862
Energy: 1.2429442407605331
Energy: 1.2595920636820377
Energy: 1.3230864954358423
Energy: 1.4336444244935946
Energy: 1.3230864954382808
Energy: 1.4774112783792157
Energy: 1.305813933034533
Energy: 1.303329942370055
Energy: 1.305813933034533
Energy: 1.4601377945090361
Energy: 1.2379416851029919
Energy: 1.4468181287755473
Energy: 1.2379416851054306
Energy: 1.2244898962386124
Energy: 1.2616908111739182
Energy: 1.4240322988456118
Energy: 1.261690811172699
Energy: 1.3297657890422374
Energy: 1.2149034422058353
Energy: 1.2588923947907396
Energy: 1.2149034422033969
Energy: 1.2137373219134158
Energy: 1.26080120802566
Energy: 1.2027462456798004
Energy: 1.2608012080268793
Energy: 1.2246694750346467
Energy: 1.2336009130805503
Energy: 1.2323061747583905
Energy: 1.2336009130793308
Energy: 1.3527300146879457
Energy: 1.2409823046799389
Energy: 1.2188406441979955
Energy: 1.2409823046835966
Energy: 1.2241243004098585
Energy: 1.2647774024116667
Energy: 1.2183402858772112
Energy: 1.2647774024128857
Energy: 1.423678139745841
Energy: 1.2131578894909627
Energy: 1.5941643798986376
Energy: 1.2131578894897435
Energy: 1.419386246287351
Energy: 1.212978837037038
Energy: 1.5749333720570673
Energy: 1.2129788370382575
Energy: 1.368152200513635
Energy: 1.2414980715588992
Energy: 1.2152767344325006
Energy: 1.2414980715601185
Energy: 1.2262551406517224
Energy: 1.2429873441715165
Energy: 1.2182090373900756
Energy: 1.2429873441727357
Energy: 1.240262818010089
Energy: 1.2409429726191719
Energy: 1.4469445415787208
Energy: 1.2409429726167331
Energy: 1.2144286357014393
Energy: 1.264237037274148
Energy: 1.2004841559818542
Energy: 1.2642370372717096
Energy: 1.4390268670242723
Energy: 1.3310802347424082
Energy: 1.2834152170914759
Energy: 1.3310802347424082
Energy: 1.296223186633343
Energy: 1.2603877226220366
Energy: 1.3315471684366778
Energy: 1.2603877226220366
Energy: 1.3251556124014652
Energy: 1.191686364286941
Energy: 1.5340284740444055
Energy: 1.1916863642893796
Energy: 1.6391038088287386
Energy: 1.2894870320549532
Energy: 1.3078703128670295
Energy: 1.2894870320549532

minimum gb energy = 1.1726801734735732 eV
minimum distance =  2.23712350925836 Angstroms
sigma value = 1


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

Energy: 1.3278878862023777
Energy: 1.2668388772605572
Energy: 1.9480832629830462
Energy: 1.2668388772605572
Energy: 1.3305345123618293
Energy: 1.2148327980903384
Energy: 1.2871014015233941
Energy: 1.2148327980920244
Energy: 1.2692478876921298
Energy: 1.2467129085547477
Energy: 1.3851822716566355
Energy: 1.2467129085547477
Energy: 1.248132366769217
Energy: 1.2168759109261476
Energy: 1.322023908310991
Energy: 1.2168759109261476
Energy: 1.1701197572874154
Energy: 1.191627211716391
Energy: 1.1728002082029443
Energy: 1.191627211716391
Energy: 1.1693790096942747
Energy: 1.1689547132765217
Energy: 1.1682892440360597
Energy: 1.168954713274836
Energy: 1.2955744926686483
Energy: 1.2102231888482247
Energy: 1.3031155520349493
Energy: 1.2102231888482247
Energy: 1.295889041800039
Energy: 1.2097868675294163
Energy: 1.2444871085435183
Energy: 1.2097868675294163
Energy: 1.2625130473336117
Energy: 1.1918867486986922
Energy: 1.1960860191786933
Energy: 1.1918867486970062
Energy: 1.2625130473403552
Energy: 1.1914102260600619
Energy: 1.195839578333393
Energy: 1.1914102260600619
Energy: 1.2954652257679078
Energy: 1.2101350372932143
Energy: 1.244487108550262
Energy: 1.2101350372932143
Energy: 1.2956186829947196
Energy: 1.2104009581138973
Energy: 1.3031155520366353
Energy: 1.2104009581138973
Energy: 1.174673671970054
Energy: 1.223452743507156
Energy: 1.1688347549608311
Energy: 1.2234527434869638
Energy: 1.169699005654663
Energy: 1.1935074763739792
Energy: 1.1727336106742297
Energy: 1.1935074763739792
Energy: 1.2029942416173773
Energy: 1.216106576990303
Energy: 1.3469940421319029
Energy: 1.216106576990303
Energy: 1.2692478876904438
Energy: 1.2463640837965044
Energy: 1.3293417965537617
Energy: 1.2463640837948189
Energy: 1.3044448379556428
Energy: 1.1675302108281762
Energy: 1.3129805653288893
Energy: 1.1675302117229893
Energy: 1.3278878862006922
Energy: 1.2668388772605572
Energy: 1.9480832629813603
Energy: 1.2668388772605572
Energy: 1.3305345123618293
Energy: 1.2148327980903384
Energy: 1.2871014015233941
Energy: 1.2148327980903384
Energy: 1.2692478876921298
Energy: 1.2467129085547477
Energy: 1.3851822716566355
Energy: 1.2467129085547477
Energy: 1.2481323667709028
Energy: 1.2168759109261476
Energy: 1.322023908310991
Energy: 1.2168759109261476
Energy: 1.1701197572874154
Energy: 1.191627211716391
Energy: 1.1728002082012585
Energy: 1.191627211716391
Energy: 1.1693790096925885
Energy: 1.1689547132765217
Energy: 1.1682892440377457
Energy: 1.168954713274836
Energy: 1.2955744926686483
Energy: 1.2102231888482247
Energy: 1.3031155520349493
Energy: 1.2102231888499104

minimum gb energy = 1.1675302108281762 eV
minimum distance =  2.22449103515198 Angstroms
sigma value = 17


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

Energy: 1.385424389003961
Energy: 1.212950172134365
Energy: 1.8788308240848557
Energy: 1.212950172134365
Energy: 1.4505792639199002
Energy: 1.2618388514929306
Energy: 1.373513370142143
Energy: 1.2618388514950147
Energy: 1.1859935642467163
Energy: 1.2086500550507036
Energy: 1.2152843202695227
Energy: 1.2086500550486197
Energy: 1.225349204000927
Energy: 1.1868089007005465
Energy: 1.3595375929819153
Energy: 1.1868089006995044
Energy: 1.2001464252029856
Energy: 1.201766944694625
Energy: 1.198138891434871
Energy: 1.2017669446967092
Energy: 1.2110177140339966
Energy: 1.2046813900186442
Energy: 1.1945040978948485
Energy: 1.204681390023854
Energy: 1.2028483141455502
Energy: 1.205159711923085
Energy: 1.1659301506170465
Energy: 1.205159711915791
Energy: 1.2028796256849847
Energy: 1.2050987512073261
Energy: 1.2001378057150542
Energy: 1.2050987512073261
Energy: 1.4367958301557782
Energy: 1.1928656189252071
Energy: 1.3503042489231856
Energy: 1.192865618924165
Energy: 1.4850362680966036
Energy: 1.1923315529138874
Energy: 1.3473401734038988
Energy: 1.1923315529118033
Energy: 1.24890495441966
Energy: 1.1878347200872243
Energy: 1.4567744019125157
Energy: 1.1878347200872243
Energy: 1.2470594644808488
Energy: 1.1877972805362464
Energy: 1.3743069250685847
Energy: 1.1877972805372883
Energy: 1.212680033132017
Energy: 1.208903474735412
Energy: 1.2045879184816446
Energy: 1.2089034747343697
Energy: 1.1751362152013376
Energy: 1.2021015079748023
Energy: 1.2044531586279401
Energy: 1.2021015079758444
Energy: 1.1813529142348058
Energy: 1.219668417942096
Energy: 1.2082812772614062
Energy: 1.21966841793897
Energy: 1.184428422720099
Energy: 1.2033268579938132
Energy: 1.1834517568515435
Energy: 1.2033268579969392
Energy: 1.3411101954557232
Energy: 1.1732832618734592
Energy: 1.2419510691987445
Energy: 1.173283261870333
Energy: 1.2433642764616406
Energy: 1.21226463763297
Energy: 1.3639110479661334
Energy: 1.21226463763297
Energy: 1.3460433172119344
Energy: 1.178393275420145
Energy: 1.351954101571867
Energy: 1.178393275420145
Energy: 1.5812016485255256
Energy: 1.1940939678375426
Energy: 1.2548562291478054
Energy: 1.1940939678385847
Energy: 1.2916193196512167
Energy: 1.2779021786174307
Energy: 1.4404588686787636
Energy: 1.2779021786153468
Energy: 1.196550144367148
Energy: 1.200881799329369
Energy: 1.1656660109798371
Energy: 1.2008817993272851
Energy: 1.337492084423325
Energy: 1.2063578238764028
Energy: 1.2452288894476125
Energy: 1.2063578238805708
Energy: 1.1892786134514994
Energy: 1.2040664582992486
Energy: 1.1618554307035058
Energy: 1.204066458298207
Energy: 1.2070626161630917
Energy: 1.2240863840525322
Energy: 1.3934964962179615
Energy: 1.224086384049406
Energy: 1.1872750223046151
Energy: 1.2015247326766287
Energy: 1.2077862690776284
Energy: 1.2015247326714191
Energy: 1.1904062534020565
Energy: 1.2024151958958091
Energy: 1.242649665180095
Energy: 1.2024151958926828
Energy: 1.363201454679719
Energy: 1.1708002025196909
Energy: 1.5647412064499837
Energy: 1.1708002025196909
Energy: 1.3547034773924553
Energy: 1.1708943464716615
Energy: 1.5634148551938025
Energy: 1.1708943464664514
Energy: 1.1861623751475583
Energy: 1.2017994753621977
Energy: 1.2078930102689762
Energy: 1.2017994753601136
Energy: 1.1884146262880437
Energy: 1.2022233073141022
Energy: 1.242916244974332
Energy: 1.2022233073141022
Energy: 1.1861255785327716
Energy: 1.2178034292038438
Energy: 1.207854344862038
Energy: 1.2178034292059277
Energy: 1.1946695610814566
Energy: 1.2042079549208256
Energy: 1.1616367906607277
Energy: 1.2042079549218676
Energy: 1.3019988962347009
Energy: 1.2072771611493962
Energy: 1.16592428995495
Energy: 1.207277161143144
Energy: 1.203307951562012
Energy: 1.201043242691037
Energy: 1.2063417435064583
Energy: 1.201043242691037
Energy: 1.3082619595022904
Energy: 1.168040151431493
Energy: 1.3634232282036696
Energy: 1.168040151429409
Energy: 1.598662739342919
Energy: 1.193212585071768
Energy: 1.2547611711624973
Energy: 1.193212585066558
Energy: 1.3617826543153677
Energy: 1.1797264812452664
Energy: 1.4369046898661175
Energy: 1.1797264812442245

minimum gb energy = 1.1616367906607277 eV
minimum distance =  2.23918243872624 Angstroms
sigma value = 89


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

Energy: 1.2742786278084124
Energy: 1.1368795326789451
Energy: 1.7971136113780701
Energy: 1.1368795326797507
Energy: 1.2325241445843809
Energy: 1.3223227598814322
Energy: 1.2559121957277586
Energy: 1.322322759881153
Energy: 1.2335880433822377
Energy: 1.1271678180150626
Energy: 1.1421284460112326
Energy: 1.127167818014536
Energy: 1.1537429900307274
Energy: 1.1426587078600645
Energy: 1.3010558550565372
Energy: 1.1426587078603434
Energy: 1.1559327121037641
Energy: 1.1425638132571294
Energy: 1.1249648408406119
Energy: 1.142563813257408
Energy: 1.147121373623758
Energy: 1.272467034806826
Energy: 1.2078003341560901
Energy: 1.2724670348057416
Energy: 1.1468950633858683
Energy: 1.127547280817509
Energy: 1.124936153820895
Energy: 1.1275472808172302
Energy: 1.148795139989818
Energy: 1.1547658106179004
Energy: 1.2527354747724926
Energy: 1.1547658106192638
Energy: 1.2343455861072268
Energy: 1.1428894901621207
Energy: 1.1275549150226203
Energy: 1.142889490162926
Energy: 1.147980415164626
Energy: 1.1424419538845358
Energy: 1.1273184351767913
Energy: 1.1424419538848145
Energy: 1.2304883812772174
Energy: 1.1273847050613781
Energy: 1.2640556769088136
Energy: 1.1273847050619359
Energy: 1.2304944346830256
Energy: 1.127783071872978
Energy: 1.2641077087454555
Energy: 1.1277830718721416
Energy: 1.2344289878775183
Energy: 1.1429870364631805
Energy: 1.1279356172492487
Energy: 1.1429870364626227
Energy: 1.2331518046580872
Energy: 1.1424160276279502
Energy: 1.1271221057822207
Energy: 1.1424160276279502
Energy: 1.1465792172034672
Energy: 1.14322313053628
Energy: 1.181719694484663
Energy: 1.1432231305354437

minimum gb energy = 1.124936153820895 eV
minimum distance =  2.24016937530406 Angstroms
sigma value = 13


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

Energy: 1.1934418490451055
Energy: 1.098191703149749
Energy: 1.71695795432972
Energy: 1.098191703149749
Energy: 1.1730943688092232
Energy: 1.241118058084891
Energy: 1.142950244922006
Energy: 1.2411180580860337
Energy: 1.1576340902402602
Energy: 1.0690120577851425
Energy: 1.1506141238430643
Energy: 1.0690120577839999
Energy: 1.1331886107738485
Energy: 1.1414482634968242
Energy: 1.1448767452264013
Energy: 1.1414482634979668
Energy: 1.0950326563391815
Energy: 1.0774862496972046
Energy: 1.1068779421803496
Energy: 1.0774862496972046
Energy: 1.2017077727445955
Energy: 1.078002732112167
Energy: 1.1360079651642825
Energy: 1.078002732112167
Energy: 1.1038399827371776
Energy: 1.0690889531250347
Energy: 1.1060388877296334
Energy: 1.0690889531250347
Energy: 1.1101571754909245
Energy: 1.100155278194218
Energy: 1.1046632152590385
Energy: 1.100155278194218
Energy: 1.101746936626652
Energy: 1.0772338007044413
Energy: 1.094619062395398
Energy: 1.0772338007032984
Energy: 1.2707309355459313
Energy: 1.0779958105117486
Energy: 1.1444433521648956
Energy: 1.0779958105106058
Energy: 1.145215721368545
Energy: 1.0690813686825906
Energy: 1.1519448682471314
Energy: 1.0690813686825906
Energy: 1.1295593437026052
Energy: 1.071369508896365
Energy: 1.1014604055383848
Energy: 1.0713695088975077
Energy: 1.1612087133000282
Energy: 1.091750410076565
Energy: 1.1745257365990158
Energy: 1.091750410076565
Energy: 1.1797728041002424
Energy: 1.0950183616081661
Energy: 1.2672401908222957
Energy: 1.0950183616081661
Energy: 1.1451983007518438
Energy: 1.0680519645313398
Energy: 1.1510735419599016
Energy: 1.0680519645313398
Energy: 1.1296728391538828
Energy: 1.0683175502199722
Energy: 1.1569359124357241
Energy: 1.0683175502199722
Energy: 1.161630367368914
Energy: 1.0772231877527483
Energy: 1.094762671194056
Energy: 1.077223187753891
Energy: 1.1071289584401647
Energy: 1.0778348553266852
Energy: 1.15462263860765
Energy: 1.0778348553278279
Energy: 1.1038849065825806
Energy: 1.0676570411560373
Energy: 1.110472918048431
Energy: 1.0676570411548947
Energy: 1.110173963330303
Energy: 1.0676181998773644
Energy: 1.1038470387063877
Energy: 1.0676181998762215
Energy: 1.154620078172698
Energy: 1.0778639780067616
Energy: 1.1080050421926624
Energy: 1.077863978009047
Energy: 1.0945714378477411
Energy: 1.077238217584547
Energy: 1.161630367373485
Energy: 1.0772382175856898
Energy: 1.1569359124391525
Energy: 1.0685219954690264
Energy: 1.1296821661060705
Energy: 1.068521995470169
Energy: 1.1510735419610443
Energy: 1.0680328003574706
Energy: 1.1452008639624587
Energy: 1.0680328003586135
Energy: 1.267114858881714
Energy: 1.0948263072160804
Energy: 1.1797500373516918
Energy: 1.0948263072160804
Energy: 1.1746985323431989
Energy: 1.0917143729258831
Energy: 1.1612087133000282
Energy: 1.0917143729247403
Energy: 1.1013084358442808
Energy: 1.071205312358415
Energy: 1.129593841029264
Energy: 1.071205312359558
Energy: 1.1519448682482742
Energy: 1.0688153415063324
Energy: 1.1452018062984688
Energy: 1.0688153415051895
Energy: 1.1444511198808207
Energy: 1.0779921513326491
Energy: 1.27083064839747
Energy: 1.0779921513315065
Energy: 1.0945355858837464
Energy: 1.077220712357007
Energy: 1.1018858448169528
Energy: 1.0772207123581499
Energy: 1.1050008232592596
Energy: 1.1002813531181495
Energy: 1.110766343813545
Energy: 1.1002813531192923
Energy: 1.1059546171790984
Energy: 1.0690956135266279
Energy: 1.1038345647943166
Energy: 1.0690956135266279
Energy: 1.1360686892212917
Energy: 1.0777668536879113
Energy: 1.2016619688708066
Energy: 1.0777668536879113
Energy: 1.1068285690793103
Energy: 1.0774862714875888
Energy: 1.0948772739688073
Energy: 1.0774862714887317
Energy: 1.1448577190992835
Energy: 1.1414068947274507
Energy: 1.1329847816632028
Energy: 1.1414068947274507

minimum gb energy = 1.0676181998762215 eV
minimum distance =  2.25665887680034 Angstroms
sigma value = 37


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

Energy: 1.2044706418715874
Energy: 1.0442340449550098
Energy: 1.6313799908427333
Energy: 1.0442340449557916
Energy: 1.2212308240479808
Energy: 1.2839103268088532
Energy: 1.1461786265393965
Energy: 1.2839103268088532
Energy: 1.1300182027554386
Energy: 1.0021150427098964
Energy: 1.1671517697122282
Energy: 1.0021150427097179
Energy: 1.1680870011874092
Energy: 1.0266538274218762
Energy: 1.1460420131495501
Energy: 1.0266538274218762
Energy: 1.0784606788094502
Energy: 1.0016559170484114
Energy: 1.1241836030219952
Energy: 1.0016559170489923
Energy: 1.168218235227495
Energy: 1.0156032606541463
Energy: 1.0896955473995698
Energy: 1.0156032606539454
Energy: 1.0612129324956785
Energy: 1.0024621464598562
Energy: 1.100092671499768
Energy: 1.0024621464592753
Energy: 1.111140577189026
Energy: 1.3635896260913203
Energy: 1.1272414688759549
Energy: 1.3635896260905385
Energy: 1.0594025134734006
Energy: 1.0009135036909629
Energy: 1.083955710155514
Energy: 1.000913503690561
Energy: 1.1677267504545532
Energy: 1.0161189504995456
Energy: 1.0805857703363309
Energy: 1.016118950499948
Energy: 1.0672571333701568
Energy: 1.000514799121255
Energy: 1.1235177378073116
Energy: 1.000514799121255
Energy: 1.0673688899270333
Energy: 1.0162038229564958
Energy: 1.2316274994262129
Energy: 1.0162038229568755
Energy: 1.1303066518978733
Energy: 1.0006267495671788
Energy: 1.1245155526474642
Energy: 1.0006267495671788
Energy: 1.0613642566281367
Energy: 1.0003988615713133
Energy: 1.123430834347274
Energy: 1.0003988615715143
Energy: 1.1666466303974803
Energy: 1.042045770719674
Energy: 1.1229090145008063
Energy: 1.0420457707198754
Energy: 1.145005138159325
Energy: 1.0432729523202742
Energy: 1.119931901563652
Energy: 1.0432729523210784
Energy: 1.1301430800181205
Energy: 1.0003896736653413
Energy: 1.1335110244407658
Energy: 1.0003896736649391
Energy: 1.1287191835538233
Energy: 1.0005581973385116
Energy: 1.1233919614029508
Energy: 1.0005581973388913
Energy: 1.0672688755390405
Energy: 1.000211279558174
Energy: 1.1237041386185154
Energy: 1.000211279557973
Energy: 1.0675358067904075
Energy: 1.0168809989229457
Energy: 1.132468237501555
Energy: 1.0168809989237277

minimum gb energy = 1.000211279557973 eV
minimum distance =  2.2506884423835 Angstroms
sigma value = 25


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

Energy: 1.132338885687326
Energy: 0.9455667259550478
Energy: 1.4137872069429334
Energy: 0.9455667259535124
Energy: 1.0701756745977047
Energy: 1.1628932111499004
Energy: 1.0395159741551385
Energy: 1.1628932111468302
Energy: 1.0315901929430982
Energy: 0.9275134234183784
Energy: 1.0915502992888724
Energy: 0.9275134234199135
Energy: 1.0422128581807704
Energy: 0.9745526886857754
Energy: 1.0955238348427767
Energy: 0.9745526886888458
Energy: 1.0298090723914364
Energy: 0.9063957699170692
Energy: 1.010765524502
Energy: 0.9063957699186042
Energy: 1.0418925952897709
Energy: 0.9522056440274943
Energy: 1.0486309017112903
Energy: 0.9522056440290296
Energy: 0.9845821838259415
Energy: 0.9083585862802097
Energy: 1.010466116621184
Energy: 0.908358586281745
Energy: 1.0189556834027798
Energy: 0.9117608018010644
Energy: 1.0683169218331439
Energy: 0.9117608018010644
Energy: 0.9713930279821071
Energy: 0.9061290324779352
Energy: 0.9845716564488847
Energy: 0.9061290324764001
Energy: 1.0357718836459893
Energy: 1.2742861178111926
Energy: 1.0091496623633858
Energy: 1.2742861178111926
Energy: 0.9730399097765673
Energy: 0.9087255570763458
Energy: 0.9849776070744803
Energy: 0.9087255570763458
Energy: 1.0178219204917112
Energy: 0.915251029411209
Energy: 1.067718025344815
Energy: 0.9152510294127442
Energy: 0.9770809851713662
Energy: 0.9060224051119837
Energy: 1.005558724296578
Energy: 0.9060224051119837
Energy: 1.018070928886948
Energy: 1.0114512413154684
Energy: 1.005638217583115
Energy: 1.0114512413170038
Energy: 1.0188632616828692
Energy: 0.9060302218288468
Energy: 1.01353918756466
Energy: 0.9060302218273116
Energy: 1.03176249600635
Energy: 0.9055060940924817
Energy: 0.9849965875406718
Energy: 0.9055060940924817
Energy: 1.0272888076879128
Energy: 0.9277794418991108
Energy: 1.0664345065212504
Energy: 0.927779441900646
Energy: 0.9795752095090616
Energy: 0.9851065468860943
Energy: 1.0453417309530169
Energy: 0.9851065468860943
Energy: 1.1051931818045844
Energy: 0.9446506502305825
Energy: 1.0144501003178938
Energy: 0.9446506502321177
Energy: 1.069551352458648
Energy: 0.9714008735972266
Energy: 1.0534664213531977
Energy: 0.9714008735956913
Energy: 1.0272165208621222
Energy: 0.9279087262898605
Energy: 1.0660845162875883
Energy: 0.9279087262898605
Energy: 1.01844281778155
Energy: 0.9253716780906798
Energy: 1.0453620180485832
Energy: 0.9253716780891444
Energy: 1.019004832221499
Energy: 0.9067975843448284
Energy: 1.0101577631472223
Energy: 0.9067975843432933
Energy: 1.053318714857081
Energy: 0.9058615561942824
Energy: 1.031711845366225
Energy: 0.9058615561942824
Energy: 0.9788807737501709
Energy: 0.9070257429698743
Energy: 1.004908795050396
Energy: 0.9070257429668038
Energy: 1.0269159276335127
Energy: 0.912324105435183
Energy: 1.005350048320962
Energy: 0.9123241054367184

minimum gb energy = 0.9055060940924817 eV
minimum distance =  2.25778710166216 Angstroms
sigma value = 41


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

Energy: 1.1005915091225857
Energy: 0.880387303958499
Energy: 1.2585345656832885
Energy: 0.880387303958499
Energy: 0.9393881217608552
Energy: 1.0532196523011643
Energy: 0.9690185581363437
Energy: 1.0532196523011643
Energy: 0.9493648792866775
Energy: 0.8529686474463556
Energy: 1.0368917926121823
Energy: 0.8529686474450968
Energy: 0.9635485528633619
Energy: 0.9108504514195865
Energy: 0.9676108383078845
Energy: 0.9108504514195865
Energy: 1.0103452561243775
Energy: 0.8426457034650158
Energy: 0.9294864646934567
Energy: 0.8426457034662743
Energy: 0.9638018518649158
Energy: 0.9036084321100691
Energy: 0.9635443145680608
Energy: 0.9036084321138449
Energy: 0.9263194454055141
Energy: 0.8305652383264228
Energy: 0.9644723888229922
Energy: 0.8305652383276816
Energy: 0.9664679299877332
Energy: 0.9055899984921154
Energy: 0.9632748498451909
Energy: 0.9055899984921154
Energy: 0.9522025731782758
Energy: 0.8305728443879495
Energy: 0.9087504357071664
Energy: 0.8305728443879495
Energy: 0.9921599480552356
Energy: 0.9470096269369419
Energy: 0.9632505929651941
Energy: 0.9470096269356832
Energy: 0.9237371736947141
Energy: 0.8322967000975833
Energy: 0.9170276340170033
Energy: 0.8322967000963248
Energy: 0.9418607605438825
Energy: 1.2133155261633017
Energy: 0.9752061619349682
Energy: 1.2133155261633017
Energy: 0.9244108856385792
Energy: 0.8307111027332514
Energy: 0.9160582796436068
Energy: 0.8307111027332514
Energy: 0.9942994509011357
Energy: 0.8372933411900124
Energy: 0.9532914650283151
Energy: 0.8372933411912711
Energy: 0.9496534116654787
Energy: 0.8308452014919997
Energy: 0.9074045190988617
Energy: 0.8308452014907411
Energy: 0.9465929436713185
Energy: 0.9336303112970046
Energy: 1.0209432645075227
Energy: 0.9336303112957459
Energy: 0.9294716999809832
Energy: 0.8306347561243411
Energy: 0.9562822650293126
Energy: 0.8306347561255998
Energy: 0.9678606801611637
Energy: 0.8306774696090953
Energy: 0.9676633144182419
Energy: 0.8306774696090953
Energy: 0.9928929084073087
Energy: 0.8426160704982544
Energy: 0.9311356618421588
Energy: 0.8426160704982544
Energy: 0.9732801448698511
Energy: 0.9032253197860453
Energy: 0.9322377675740832
Energy: 0.9032253197860453
Energy: 0.9474019039297871
Energy: 0.8518288700160718
Energy: 1.0145733708648708
Energy: 0.8518288700160718
Energy: 0.9400589078537791
Energy: 0.9189502125456159
Energy: 0.9694459370282009
Energy: 0.9189502125443572
Energy: 1.06717654375477
Energy: 0.8800236589639899
Energy: 0.9332986673818973
Energy: 0.8800236589614726
Energy: 0.9933532610010882
Energy: 0.915537064065627
Energy: 0.9596904715892053
Energy: 0.915537064065627
Energy: 0.9474273287144699
Energy: 0.8519096463836487
Energy: 1.0145530150500282
Energy: 0.8519096463836487
Energy: 0.9677490692714211
Energy: 0.8934334694768862
Energy: 0.9678393931365499
Energy: 0.8934334694781448
Energy: 0.9928867519677709
Energy: 0.8425787643065508
Energy: 0.9338271741711952
Energy: 0.842578764309068
Energy: 0.9733103725271053
Energy: 0.8425238878711069
Energy: 0.9703700855235613
Energy: 0.8425238878698481
Energy: 0.9286705689021374
Energy: 0.8307410243205323
Energy: 0.955461302179155
Energy: 0.8307410243217909
Energy: 0.9658761333916286
Energy: 0.8301668527687132
Energy: 0.9666252671859724
Energy: 0.8301668527687132
Energy: 0.9500443812135306
Energy: 0.8307147541720051
Energy: 0.9107917083521744
Energy: 0.8307147541720051
Energy: 0.9469307330985047
Energy: 0.8343065328213902
Energy: 0.9528123312940642
Energy: 0.8343065328226489

minimum gb energy = 0.8301668527687132 eV
minimum distance =  2.26043748092069 Angstroms
sigma value = 15


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

Energy: 1.0356749884706913
Energy: 0.815780326810008
Energy: 1.1413081709749864
Energy: 0.8157803268078755
Energy: 0.912950033264787
Energy: 0.969115259121777
Energy: 0.8969880283366052
Energy: 0.9691152591260419
Energy: 0.964352107307938
Energy: 0.8039234215250017
Energy: 0.9835223639144098
Energy: 0.8039234215196706
Energy: 0.9077860680669916
Energy: 0.8445070896463317
Energy: 0.8972093337608054
Energy: 0.8445070896420668
Energy: 0.9612774239234185
Energy: 0.7864619463060963
Energy: 0.8657538810119374
Energy: 0.7864619463092951
Energy: 0.9075431402398803
Energy: 0.8400635678167777
Energy: 0.9004341908801476
Energy: 0.8400635678157116
Energy: 0.857996530267554
Energy: 0.7776532154186935
Energy: 0.9283263587129986
Energy: 0.7776532154144284
Energy: 0.9015788358512856
Energy: 0.8417647389854447
Energy: 0.9005967382442933
Energy: 0.841764738986511
Energy: 0.9069008714037863
Energy: 0.7698376880363118
Energy: 0.8494537053529293
Energy: 0.7698376880363118
Energy: 0.902046202306773
Energy: 0.8437587850958855
Energy: 0.9033928453819053
Energy: 0.8437587850958855
Energy: 0.8556403254085035
Energy: 0.7695174889664773
Energy: 0.8808518839151126
Energy: 0.7695174889675436
Energy: 0.9017749421372405
Energy: 0.9064841923852905
Energy: 0.9290473508759127
Energy: 0.906484192383158
Energy: 0.8758166500293456
Energy: 0.7708359782313069
Energy: 0.859963008814664
Energy: 0.7708359782334395
Energy: 0.9122695952136093
Energy: 0.7941343559896051
Energy: 0.8871870268021491
Energy: 0.7941343559896051
Energy: 0.8714013665893879
Energy: 0.7698123995304483
Energy: 0.8562920281457551
Energy: 0.7698123995261833
Energy: 0.9013836050455991
Energy: 0.9532017957795063
Energy: 0.9374432188248054
Energy: 0.9532017957773737
Energy: 0.856055081225093
Energy: 0.7697031900150937
Energy: 0.8823399887327636
Energy: 0.7697031900150937
Energy: 0.9452828317698995
Energy: 0.8711944170057496
Energy: 0.8962551203547164
Energy: 0.871194417003617
Energy: 0.9064326635566913
Energy: 0.7697728907342889
Energy: 0.8539185002510357
Energy: 0.7697728907332227
Energy: 0.9140377646611384
Energy: 0.7832623684113643
Energy: 0.8981744967132954
Energy: 0.7832623684081657
Energy: 0.8603963889584121
Energy: 0.7769593967631875
Energy: 0.910407476160761
Energy: 0.7769593967621213
Energy: 0.8963905787215876
Energy: 0.8352537919817878
Energy: 0.9162081203514391
Energy: 0.8352537919785892
Energy: 0.9476670834934097
Energy: 0.786528784465346
Energy: 0.8663445883169275
Energy: 0.7865287844632136
Energy: 0.9019653608241828
Energy: 0.8426373524563696
Energy: 0.8778190741297826
Energy: 0.8426373524574358
Energy: 0.8819728704416262
Energy: 0.8034103971107426
Energy: 0.9620733461038687
Energy: 0.8034103971107426
Energy: 0.8738355826121496
Energy: 0.8529547227296514
Energy: 0.9189729189055683
Energy: 0.8529547227285853
Energy: 1.0094357036756338
Energy: 0.8171176037918056
Energy: 0.8685917326127122
Energy: 0.8171176037918056
Energy: 0.9129674284284287
Energy: 0.8576653369690601
Energy: 0.8776848849828176
Energy: 0.8576653369647953
Energy: 0.8879052105904552
Energy: 0.8022149873317594
Energy: 0.9621760201151552
Energy: 0.8022149873317594
Energy: 0.8961712599829441
Energy: 0.8427209973781024
Energy: 0.9191041896231292
Energy: 0.8427209973749038
Energy: 0.9480759341422372
Energy: 0.7862542434683222
Energy: 0.8685659471455399
Energy: 0.7862542434704548
Energy: 0.9021283499611648
Energy: 0.8386565692172502
Energy: 0.8982470311421968
Energy: 0.8386565692140516
Energy: 0.8594881917833299
Energy: 0.7770667998551217
Energy: 0.9177353617578309
Energy: 0.7770667998572542
Energy: 0.8997186182117918
Energy: 0.7772532818336044
Energy: 0.9118808251549594
Energy: 0.7772532818336044
Energy: 0.9064367087955186
Energy: 0.7695240247316278
Energy: 0.8656429403300072
Energy: 0.7695240247294954
Energy: 0.9056075256286482
Energy: 0.7803975941555829
Energy: 0.9026898354493473
Energy: 0.7803975941555829
Energy: 0.8640585443610096
Energy: 0.7697334453852371
Energy: 0.8823448805736076
Energy: 0.7697334453831045

minimum gb energy = 0.7695174889664773 eV
minimum distance =  2.26244833705224 Angstroms
sigma value = 85


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

Energy: 1.0307969006360054
Energy: 0.7794674230681999
Energy: 1.0300862038083294
Energy: 0.7794674230691249
Energy: 0.8030688048448479
Energy: 0.9079908566078778
Energy: 0.8399965609617509
Energy: 0.907990856610652
Energy: 0.7883410539919561
Energy: 0.7741618412020133
Energy: 0.9903251594318306
Energy: 0.7741618412038627
Energy: 0.8252563087519417
Energy: 0.7591926466819462
Energy: 0.84003987374918
Energy: 0.7591926466828709
Energy: 0.9396742269885914
Energy: 0.7367054365563591
Energy: 0.7810248832848704
Energy: 0.7367054365563591
Energy: 0.8253182418402192
Energy: 0.7552659760681137
Energy: 0.8367400803127415
Energy: 0.7552659760681137
Energy: 0.7817948224166661
Energy: 0.7357745269991942
Energy: 0.9127886258722799
Energy: 0.7357745270001191
Energy: 0.8268462205565451
Energy: 0.8038244617137317
Energy: 0.8369377128655711
Energy: 0.8038244617128069
Energy: 0.8783817804497255
Energy: 0.7128998705583098
Energy: 0.7956216833136848
Energy: 0.7128998705601592
Energy: 0.8271443106964889
Energy: 0.7683791234051817
Energy: 0.8422616656942442
Energy: 0.7683791234042571
Energy: 0.7710148365751908
Energy: 0.7128215507013257
Energy: 0.8542247577896657
Energy: 0.7128215507022504
Energy: 0.8432206147645972
Energy: 0.7856903549572364
Energy: 0.8421705854006095
Energy: 0.785690354958161
Energy: 0.824434380621473
Energy: 0.7125673210767336
Energy: 0.7965125469539445
Energy: 0.712567321075809
Energy: 0.871095025678581
Energy: 0.8530643295770316
Energy: 0.8422397628913949
Energy: 0.8530643295751821
Energy: 0.7840525790095889
Energy: 0.7129457537780334
Energy: 0.8137944417930065
Energy: 0.7129457537789582
Energy: 0.8306081171457811
Energy: 0.721959538123272
Energy: 0.8481149265784912
Energy: 0.721959538123272
Energy: 0.7880112589440798
Energy: 0.7128922361284501
Energy: 0.812327284450046
Energy: 0.7128922361275255
Energy: 0.873089166519808
Energy: 0.9040938585226909
Energy: 0.841420957683371
Energy: 0.9040938585226909
Energy: 0.8191149194104149
Energy: 0.7126384644988892
Energy: 0.7932559592238744
Energy: 0.712638464499814
Energy: 0.8426219360028
Energy: 0.8169294047550888
Energy: 0.8734392343380651
Energy: 0.8169294047523146
Energy: 0.774001961272135
Energy: 0.7126144103383942
Energy: 0.8463070922252478
Energy: 0.712614410339319
Energy: 0.8270871537029346
Energy: 0.7057337713426431
Energy: 0.8403900247701703
Energy: 0.7057337713417182
Energy: 0.858390954447151
Energy: 0.7114928948362663
Energy: 0.7957107281165876
Energy: 0.7114928948344169
Energy: 0.849959541244644
Energy: 0.7672833894193768
Energy: 0.8158023433180618
Energy: 0.767283389418452
Energy: 0.7831272841795008
Energy: 0.7365834341312004
Energy: 0.8933488900013213
Energy: 0.7365834341321252
Energy: 0.825429375787223
Energy: 0.7557666827578522
Energy: 0.8368771667076775
Energy: 0.7557666827597016
Energy: 0.910941959025164
Energy: 0.7369503519486419
Energy: 0.7814824185490716
Energy: 0.736950351947717
Energy: 0.858544757066358
Energy: 0.7691467783979775
Energy: 0.7839507651948153
Energy: 0.7691467783998269
Energy: 0.7875674469679835
Energy: 0.7743240141300098
Energy: 0.9531723629734629
Energy: 0.7743240141300098
Energy: 0.804218868611421
Energy: 0.7618699876568047
Energy: 0.8398320610657728
Energy: 0.76186998765588
Energy: 0.9773221031733397
Energy: 0.7797789145580969
Energy: 0.7833276758489812
Energy: 0.7797789145571721
Energy: 0.8740909653239706
Energy: 0.7815029221034363
Energy: 0.7838512694726376
Energy: 0.7815029221034363
Energy: 0.7873340094231855
Energy: 0.7743174921149083
Energy: 0.9532117496297471
Energy: 0.7743174921139836
Energy: 0.8251336224372744
Energy: 0.7587220241210907
Energy: 0.8399436661777706
Energy: 0.7587220241210907
Energy: 0.9109800247414617
Energy: 0.7371621166862468
Energy: 0.7831798669308013
Energy: 0.737162116689021
Energy: 0.8583364555769787
Energy: 0.7674396316940232
Energy: 0.815647313874104
Energy: 0.7674396316940232
Energy: 0.7830455139863749
Energy: 0.7352446654376337
Energy: 0.8931253414314956
Energy: 0.7352446654404079
Energy: 0.8269110933873757
Energy: 0.8070841711988346
Energy: 0.8368926857276298
Energy: 0.8070841711997593
Energy: 0.8583701309851521
Energy: 0.7114753037532224
Energy: 0.7947843878398507
Energy: 0.7114753037532224
Energy: 0.8503763306440358
Energy: 0.7020949507359509
Energy: 0.8295378933813433
Energy: 0.7020949507350261
Energy: 0.7710615678552749
Energy: 0.7116836544294233
Energy: 0.8463762249418836
Energy: 0.7116836544303481
Energy: 0.842991029305855
Energy: 0.7057078612266398
Energy: 0.8409754042362645
Energy: 0.7057078612275647
Energy: 0.8190443825374194
Energy: 0.7014705418704398
Energy: 0.7937642965583057
Energy: 0.7014705418695151

minimum gb energy = 0.7014705418695151 eV
minimum distance =  2.27013141615224 Angstroms
sigma value = 113


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

Energy: 0.01445717016561404
Energy: 0.014605457957650555
Energy: 1.3542568745566497
Energy: 0.014605457956939656
Energy: 0.01510852017195608
Energy: 0.6564978889255041
Energy: 0.01510852017195608
Energy: 0.6564978889255041
Energy: 1.3542568745573609
Energy: 0.014605457956939656
Energy: 0.01445717016490314
Energy: 0.014605457956939656
Energy: 0.015108520171245182
Energy: 0.6564978889255041
Energy: 0.01510852017195608
Energy: 0.6564978889255041
Energy: 0.01445717016561404
Energy: 0.014605457956939656
Energy: 1.3542568745573609
Energy: 0.014605457956939656
Energy: 0.01510852017195608
Energy: 0.6564978889255041
Energy: 0.01510852017195608
Energy: 0.6564978889255041

minimum gb energy = 0.01445717016490314 eV
minimum distance =  2.41169357286762 Angstroms
sigma value = 1