Model name: model_name=EAM_Dynamo_Mendelev_2003_Fe__MO_546673549085_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=2.855324655771256
cohesive_energy=4.122759316663293
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: 0.012772678464198679
Energy: 0.012892829006494902
Energy: 2.1572892303488893
Energy: 0.012892829006494902
Energy: 0.012892829006494902
Energy: 0.01317136736376098
Energy: 0.4267291358415734
Energy: 0.01317136736376098
Energy: 2.157289230347912
Energy: 0.4267291358415734
Energy: 0.42638124739571254
Energy: 0.42672913584056804
Energy: 0.012892829006494902
Energy: 0.01317136736376098
Energy: 0.42672913584056804
Energy: 0.01317136736376098

minimum gb energy = 0.012772678464198679 eV
minimum distance =  2.47005714587508 Angstroms
sigma value = 1


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

Energy: 1.393895239887653
Energy: 1.207591346306869
Energy: 0.8998147626038253
Energy: 1.2075913463105268
Energy: 1.425402270094376
Energy: 0.8936873260205517
Energy: 1.0405728406553285
Energy: 0.893687326021771
Energy: 1.5063682261401
Energy: 0.9043644376942664
Energy: 0.8974619601839934
Energy: 0.9043644376918277
Energy: 1.3117342495147526
Energy: 0.8956931726087648
Energy: 0.9765259285283814
Energy: 0.8956931726087648
Energy: 1.3122605507208809
Energy: 0.8955121004896539
Energy: 1.2829565849601476
Energy: 0.8955121004908733
Energy: 1.4246088446840035
Energy: 0.889734368551681
Energy: 0.8888628394309918
Energy: 0.8897343685541194
Energy: 1.0917722132866314
Energy: 1.1412679520572082
Energy: 0.8887690318157163
Energy: 1.141267952060866
Energy: 0.8944881435866386
Energy: 0.8880871114913628
Energy: 1.2742763160260664
Energy: 0.8880871114913628
Energy: 1.0998315083386259
Energy: 1.0346881249954643
Energy: 1.2628638154684608
Energy: 1.0346881249966835
Energy: 1.4472369335841597
Energy: 1.137485997665658
Energy: 1.1221474928836948
Energy: 1.1374859976644387
Energy: 0.8926710854782552
Energy: 1.1052440230428018
Energy: 1.2633202377364543
Energy: 1.1052440230452405
Energy: 0.8923820038238484
Energy: 0.8922249401902996
Energy: 1.7806035062861507
Energy: 0.892224940191519
Energy: 1.0775508945908585
Energy: 1.0399008491453252
Energy: 1.3158585757664298
Energy: 1.039900849148983
Energy: 0.903613401716061
Energy: 1.1394138272034358
Energy: 1.3536975452454227
Energy: 1.1394138272022165
Energy: 0.9062704108939902
Energy: 0.8882734678802957
Energy: 1.420104742467899
Energy: 0.8882734678851729
Energy: 0.960504397042949
Energy: 0.888270433735965
Energy: 1.4232408025764076
Energy: 0.888270433735965
Energy: 0.9036414895582401
Energy: 1.1392025868040463
Energy: 1.356048187205025
Energy: 1.1392025868089235
Energy: 1.081706956217983
Energy: 1.1049958211393083
Energy: 1.2923298706980912
Energy: 1.1049958211356505
Energy: 0.891733551031633
Energy: 0.892407344882738
Energy: 1.799103526809564
Energy: 0.892407344882738
Energy: 0.8928324207757764
Energy: 1.03947507080291
Energy: 1.0948200869020943
Energy: 1.0394750708016904
Energy: 1.4462103772371289
Energy: 1.1371730189081422
Energy: 1.1137448821583171
Energy: 1.1371730189130191
Energy: 1.0934093330816965
Energy: 1.0281273107176399
Energy: 1.2627176260156707
Energy: 1.0281273107200786
Energy: 1.1165127606335556
Energy: 0.8881484457097905
Energy: 1.0899777909465156
Energy: 0.888148445712229
Energy: 1.2587354553475003
Energy: 1.1401505845044126
Energy: 0.888816460122193
Energy: 1.1401505845068514
Energy: 1.4229901186986498
Energy: 0.8897004569014986
Energy: 0.8888912509967779
Energy: 0.8897004568978406
Energy: 1.3541240422009355
Energy: 0.8942927846970498
Energy: 1.2818758852970162
Energy: 0.8942927846982691
Energy: 1.28396483415286
Energy: 0.8957212331399884
Energy: 0.9044326854696041
Energy: 0.8957212331375497
Energy: 1.5876812187525235
Energy: 0.9043169005121934
Energy: 0.9234336898643417
Energy: 0.9043169005060968
Energy: 1.426262391026818
Energy: 0.8935464449224122
Energy: 1.0408656269466656
Energy: 0.893546444921193
Energy: 1.3878542868126564
Energy: 1.151368168981512
Energy: 0.9046317076744893
Energy: 1.1513681689827315
Energy: 1.426009877591664
Energy: 0.8934928284403381
Energy: 0.9370216929106792
Energy: 0.8934928284403381
Energy: 1.425341881281706
Energy: 0.891564328630153
Energy: 0.8978479934839496
Energy: 0.8915643286289338
Energy: 1.3126964429102281
Energy: 0.895162012280613
Energy: 0.9764265935288388
Energy: 0.8951620122781744

minimum gb energy = 0.8880871114913628 eV
minimum distance =  2.31698586057624 Angstroms
sigma value = 1


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

Energy: 1.5029614453555002
Energy: 1.223909570013919
Energy: 0.9467422911064471
Energy: 1.223909570013919
Energy: 1.3324665074137294
Energy: 1.067261723853345
Energy: 1.118050287251604
Energy: 1.067261723853345
Energy: 1.3418826914901039
Energy: 0.9393881942592062
Energy: 0.9484790194569926
Energy: 0.9393881942605963
Energy: 0.9231940395280203
Energy: 0.9234325771973027
Energy: 1.11800637353148
Energy: 0.9234325771959125
Energy: 0.9230555073945386
Energy: 0.9239334022279452
Energy: 1.3844353666409939
Energy: 0.9239334022265551
Energy: 1.3428807391938027
Energy: 0.9228478733784741
Energy: 0.9232720319553933
Energy: 0.9228478733770837
Energy: 1.0061764103039166
Energy: 0.9947788169825632
Energy: 0.9231732362572442
Energy: 0.9947788169839218
Energy: 0.9227943992049462
Energy: 0.922992633191519
Energy: 1.3743318846949597
Energy: 0.922992633191519
Energy: 1.0062066321240877
Energy: 1.0671398546623054
Energy: 1.3418563652454398
Energy: 1.0671398546623054
Energy: 1.1183519373641702
Energy: 0.924057507467512
Energy: 0.9268245773498038
Energy: 0.9240575074661218
Energy: 1.0100052988916508
Energy: 0.9238707738144016
Energy: 1.342149058230714
Energy: 0.9238707738130113
Energy: 1.010013130900632
Energy: 0.9228119107089799
Energy: 1.7170180867048404
Energy: 0.9228119107089799
Energy: 1.118267208588739
Energy: 1.0668591345733982
Energy: 1.398027302105836
Energy: 1.0668591345733982
Energy: 1.1182672085929097
Energy: 1.066880937405524
Energy: 1.3984457345963757
Energy: 1.066880937405524
Energy: 1.0100400999120314
Energy: 0.922916991926809
Energy: 1.7168294814990044
Energy: 0.9229169919281991
Energy: 1.00999505300151
Energy: 0.9239003308776402
Energy: 1.3421741040250261
Energy: 0.9239003308762501
Energy: 1.1183519373669506
Energy: 0.9242593806760275
Energy: 0.9268229385850612
Energy: 0.9242593806760275
Energy: 1.006377931681884
Energy: 1.0672223174654405
Energy: 1.3419629377582312
Energy: 1.0672223174654405
Energy: 0.922796904466667
Energy: 0.9229914201541257
Energy: 1.3743318846852284
Energy: 0.9229914201541257
Energy: 1.0061590068596242
Energy: 0.994369696552828
Energy: 0.92335677679029
Energy: 0.9943696965542181
Energy: 1.3415058229192662
Energy: 0.9228660725815154
Energy: 0.9232740095511499
Energy: 0.9228660725815154
Energy: 0.9230228266206199
Energy: 0.9236200953247278
Energy: 1.3844353666396034
Energy: 0.9236200953233376
Energy: 0.9231728537955984
Energy: 0.923742756444792
Energy: 1.1180063735300898
Energy: 0.9237427564461822
Energy: 1.3423130817930564
Energy: 0.9394061505932402
Energy: 0.9481855097274785
Energy: 0.9394061505932402
Energy: 1.3324725643201425
Energy: 1.06729539858815
Energy: 1.1180502872557747
Energy: 1.06729539858815
Energy: 1.5029614453555002
Energy: 1.223909570013919
Energy: 0.9467422917942815
Energy: 1.2239095700153093
Energy: 1.3324665074123394
Energy: 1.0672617238547353
Energy: 1.118050287250214
Energy: 1.067261723853345
Energy: 1.3418826914887139
Energy: 0.9393881942592062
Energy: 0.9484790194569926
Energy: 0.9393881942605963
Energy: 0.9231940395280203
Energy: 0.9234325771959125
Energy: 1.1180063735300898
Energy: 0.9234325771959125

minimum gb energy = 0.9227943992049462 eV
minimum distance =  2.30829682192628 Angstroms
sigma value = 25


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

Energy: 1.32813238550372
Energy: 1.0972758380346705
Energy: 1.0109494704322464
Energy: 1.0972758380362864
Energy: 1.4354647665564169
Energy: 0.9839186430843112
Energy: 1.187190570210614
Energy: 0.9839186430843112
Energy: 1.4268868235071976
Energy: 0.9970515763375557
Energy: 1.0246876832187757
Energy: 0.9970515763375557
Energy: 1.2818522360223983
Energy: 0.9820484263780322
Energy: 1.1051724431519223
Energy: 0.9820484263796483
Energy: 1.2510132113512327
Energy: 0.9818647072420096
Energy: 1.2845665606854908
Energy: 0.9818647072420096
Energy: 1.4259050673479594
Energy: 0.9833670552504348
Energy: 0.9827425130795888
Energy: 0.9833670552504348
Energy: 0.9958474149692853
Energy: 0.9819712059498922
Energy: 0.9827726210440026
Energy: 0.9819712059515083
Energy: 0.9978775015764647
Energy: 0.9954579435338383
Energy: 1.4523875717409374
Energy: 0.9954579435354544
Energy: 1.0838509581269227
Energy: 1.208072949656934
Energy: 1.2535318991421853
Energy: 1.208072949656934
Energy: 1.0721759997972897
Energy: 0.990679569959642
Energy: 1.3151022991360084
Energy: 0.990679569959642
Energy: 1.0717545925427001
Energy: 1.0653701563405298
Energy: 1.433686228539281
Energy: 1.0653701563405298
Energy: 1.0892985871323453
Energy: 0.9954959433968462
Energy: 1.425658942685115
Energy: 0.9954959433984624
Energy: 1.072013528479962
Energy: 0.9903189317769381
Energy: 1.2989291998021752
Energy: 0.9903189317785542
Energy: 1.1271644388142716
Energy: 0.9821390602024539
Energy: 1.251967578800831
Energy: 0.98213906020407
Energy: 0.9948999338084978
Energy: 0.9957398512138506
Energy: 1.669203085228444
Energy: 0.9957398512154665
Energy: 0.995202910078132
Energy: 0.9827042356362333
Energy: 0.982852169524864
Energy: 0.9827042356378495
Energy: 1.6955620007171737
Energy: 0.9835089486132119
Energy: 0.98257622458788
Energy: 0.983508948614828
Energy: 1.251356668335154
Energy: 0.9830749569136797
Energy: 1.2850828552428817
Energy: 0.9830749569136797
Energy: 1.1435194250130616
Energy: 0.982204230335312
Energy: 1.1052237996764807
Energy: 0.9822042303385441
Energy: 1.2706290793076742
Energy: 0.9829652394513966
Energy: 1.002261121267269
Energy: 0.9829652394562448
Energy: 1.435070634219559
Energy: 0.9834728183845525
Energy: 1.0508091044559316
Energy: 0.9834728183845525
Energy: 1.3295348472647088
Energy: 0.9908480874969638
Energy: 1.0271392764418679
Energy: 0.9908480874953477
Energy: 1.4351097417853589
Energy: 1.1270553955771192
Energy: 1.1870388183722156
Energy: 1.1270553955771192
Energy: 1.4262471564640387
Energy: 1.023955613198699
Energy: 1.0239577949643712
Energy: 1.023955613198699
Energy: 1.2510691978931432
Energy: 0.981894032435027
Energy: 1.0249909162499629
Energy: 0.981894032433411

minimum gb energy = 0.9818647072420096 eV
minimum distance =  2.32004426609571 Angstroms
sigma value = 9


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

Energy: 1.2371148110812382
Energy: 1.2352080825231235
Energy: 1.1970652775323631
Energy: 1.2352080825211955
Energy: 1.2169634570633137
Energy: 1.048607588231847
Energy: 1.0487211190814234
Energy: 1.0486075882299195
Energy: 1.2926784883819782
Energy: 1.0701113585389557
Energy: 1.075991459707093
Energy: 1.0701113585383861
Energy: 1.2310804114395038
Energy: 1.045662682551428
Energy: 1.04553001289865
Energy: 1.04566268255375
Energy: 1.19891880074676
Energy: 1.045714225515253
Energy: 1.2930008120227041
Energy: 1.0457142255156253
Energy: 1.68227252132385
Energy: 1.045613665913393
Energy: 1.2309989111845023
Energy: 1.04561366591416
Energy: 1.081417959876611
Energy: 1.045674071249732
Energy: 1.198142133684981
Energy: 1.0456740712504988
Energy: 1.15247636949261
Energy: 1.152470256419254
Energy: 1.52474066106968
Energy: 1.1524702564186624
Energy: 1.2803775068601755
Energy: 1.0265268633693545
Energy: 1.0093967772784345
Energy: 1.026526863370691
Energy: 1.2802773204638096
Energy: 1.009669892045827
Energy: 1.009538193851239
Energy: 1.00966989204563
Energy: 1.0485449557696207
Energy: 1.026715080192577
Energy: 1.5238189205632344
Energy: 1.0267150801922045
Energy: 1.1700282518832341
Energy: 1.0100186648137541
Energy: 1.2925311819313496
Energy: 1.0100186648133598
Energy: 1.2989823047845956
Energy: 1.2401435324857102
Energy: 1.237392050766404
Energy: 1.2401435324861043
Energy: 1.31335785872131
Energy: 1.103221332479577
Energy: 1.2307145916664344
Energy: 1.1032213324787883
Energy: 1.2373120237098432
Energy: 1.2401221056450187
Energy: 1.2761817665614026
Energy: 1.2401221056463774
Energy: 1.1984812753937644
Energy: 1.009613783566682
Energy: 1.0751907226352595
Energy: 1.009613783566682
Energy: 1.5378829246723116
Energy: 1.1972773358687436
Energy: 1.1525331087599022
Energy: 1.1972773358672097
Energy: 1.2346334227781888
Energy: 1.2348079448535365
Energy: 1.2760720333932458
Energy: 1.2348079448529448
Energy: 1.2167917585478947
Energy: 1.0480664162992677
Energy: 1.2767830056584404
Energy: 1.0480664162998374
Energy: 1.537427442215003
Energy: 1.075509874022747
Energy: 1.0759280333762955
Energy: 1.0755098740242803
Energy: 1.1983013964394573
Energy: 1.193580332027335
Energy: 1.1524228764356441
Energy: 1.193580332026568

minimum gb energy = 1.0093967772784345 eV
minimum distance =  2.2669083519477 Angstroms
sigma value = 25


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

Energy: 1.1100767434608891
Energy: 1.3545858117087586
Energy: 1.2727293856892827
Energy: 1.3545858117087586
Energy: 1.4861881326292563
Energy: 1.1933079041255485
Energy: 1.1463546267876843
Energy: 1.1933079041272283
Energy: 1.2996577535875913
Energy: 1.1495690233229787
Energy: 1.1457856162793816
Energy: 1.1495690233229787
Energy: 1.1342344924001886
Energy: 1.1152062676064292
Energy: 1.1481644488676788
Energy: 1.1152062676061851
Energy: 1.2355503710666127
Energy: 1.188077007995551
Energy: 1.4940787492559613
Energy: 1.1880770079960385
Energy: 1.5629669762998684
Energy: 1.0889546287563887
Energy: 1.0887724725433194
Energy: 1.0889546287563887
Energy: 1.1943207975807624
Energy: 1.1134205225866651
Energy: 1.1597523658076103
Energy: 1.113420522585717
Energy: 1.1956377113871348
Energy: 1.2044728469550559
Energy: 1.5164326976568887
Energy: 1.2044728469571961
Energy: 1.1939218669057718
Energy: 1.0888488284292854
Energy: 1.0883560186377486
Energy: 1.0888488284302338
Energy: 1.2996979065795091
Energy: 1.088882005596342
Energy: 1.0881938931173099
Energy: 1.08888200559515
Energy: 1.113062564170357
Energy: 1.1135875023548771
Energy: 1.4313746878086344
Energy: 1.1135875023520323
Energy: 1.113297312195952
Energy: 1.0882422686007804
Energy: 1.1486289448620697
Energy: 1.0882422686048172
Energy: 1.369374370918779
Energy: 1.1486310508833426
Energy: 1.1490622501281267
Energy: 1.1486310508847786
Energy: 1.490948889449464
Energy: 1.088246436485799
Energy: 1.3236021923841408
Energy: 1.0882464364874518
Energy: 1.3055756159715926
Energy: 1.3168139770111362
Energy: 1.3269553261796248
Energy: 1.3168139770101879
Energy: 1.4863517150246395
Energy: 1.1154933964089866
Energy: 1.1485659636754484
Energy: 1.1154933964077947
Energy: 1.1135954463986615
Energy: 1.0915105684556197
Energy: 1.1498229700374
Energy: 1.0915105684570556

minimum gb energy = 1.0881938931173099 eV
minimum distance =  2.28799834942515 Angstroms
sigma value = 17


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

Energy: 1.4216670471954695
Energy: 1.3038663417845604
Energy: 1.2363490506373098
Energy: 1.3038663417859109
Energy: 1.3491246005624178
Energy: 1.1966505982734357
Energy: 1.192198126253661
Energy: 1.1966505982734357
Energy: 1.1438904149118052
Energy: 1.1324009655532474
Energy: 1.1537907117190735
Energy: 1.1324009655532474
Energy: 1.1190182495472334
Energy: 1.1183981115668968
Energy: 1.1630190345243585
Energy: 1.118398111568247
Energy: 1.1478391206482972
Energy: 1.205265494809149
Energy: 1.386561318987394
Energy: 1.2052654948118497
Energy: 1.5610941971802526
Energy: 1.2850729554297589
Energy: 1.1286424658347887
Energy: 1.2850729554297589
Energy: 1.301046537753054
Energy: 1.1171624112053091
Energy: 1.3855698869206792
Energy: 1.1171624112066594
Energy: 1.1777493417616016
Energy: 1.1174981070639523
Energy: 1.4358044199585709
Energy: 1.1174981070639523
Energy: 1.197194162679861
Energy: 1.127251542128947
Energy: 1.1248790892900364
Energy: 1.127251542128947
Energy: 1.424581987788212
Energy: 1.2031354557436076
Energy: 1.1265017119979561
Energy: 1.2031354557490086
Energy: 1.1226031615420717
Energy: 1.1211579085341188
Energy: 1.4024547713665594
Energy: 1.1211579085341188
Energy: 1.1201694145937475
Energy: 1.126010238066014
Energy: 1.260588739634192
Energy: 1.1260102380646637
Energy: 1.424549261243193
Energy: 1.1786175939864094
Energy: 1.214104798414283
Energy: 1.1786175939904604
Energy: 1.1199887249883695
Energy: 1.120946157021638
Energy: 1.2106272944142438
Energy: 1.1209461570229882
Energy: 1.1200872333782996
Energy: 1.209231808057286
Energy: 1.4578508452245427
Energy: 1.209231808057286
Energy: 1.3739791221244881
Energy: 1.1254522184566107
Energy: 1.124194571201569
Energy: 1.1254522184593114
Energy: 1.1766246079685736
Energy: 1.2794471863625687
Energy: 1.125139592281238
Energy: 1.2794471863652692
Energy: 1.166403114733008
Energy: 1.1850920719519404
Energy: 1.371192289258987
Energy: 1.1850920719465394
Energy: 1.301057362479567
Energy: 1.281882868615062
Energy: 1.2501225113980587
Energy: 1.2818828686177628
Energy: 1.521214248242051
Energy: 1.2039434166083225
Energy: 1.3707609072923925
Energy: 1.2039434166069722
Energy: 1.1278682145531156
Energy: 1.1435236429311857
Energy: 1.3923389505016777
Energy: 1.1435236429338556
Energy: 1.1297012685689323
Energy: 1.1258279332738468
Energy: 1.1442342137575248
Energy: 1.1258279332738468
Energy: 1.3742403954609987
Energy: 1.1446889256595132
Energy: 1.1439073934091537
Energy: 1.1446889256595132
Energy: 1.3761228313537814
Energy: 1.228289046833098
Energy: 1.3972530893698918
Energy: 1.2282890468317478
Energy: 1.3926946149644377
Energy: 1.2292876269969566
Energy: 1.394401048633606
Energy: 1.229287626994256
Energy: 1.3778830208727888
Energy: 1.1445793976674503
Energy: 1.1447690964680053
Energy: 1.144579397672821
Energy: 1.1295217127663206
Energy: 1.125603025505476
Energy: 1.1309918345951393
Energy: 1.1256030255041258
Energy: 1.1282913983452258
Energy: 1.128145917930338
Energy: 1.378644628658232
Energy: 1.1281459179289877
Energy: 1.143103460403643
Energy: 1.2093164328236974
Energy: 1.374054691039347
Energy: 1.2093164328209967
Energy: 1.2839402344620414
Energy: 1.2852293286587275
Energy: 1.126302646108491
Energy: 1.2852293286573773

minimum gb energy = 1.1171624112053091 eV
minimum distance =  2.26268858974672 Angstroms
sigma value = 53


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

Energy: 1.0334728223689729
Energy: 1.0485901371903312
Energy: 1.1676327693460928
Energy: 1.0485901371896953
Energy: 1.0344426485926534
Energy: 1.0765795848871547
Energy: 1.0340239072944344
Energy: 1.0765795848874726
Energy: 1.5318825445645183
Energy: 1.1384009472585446
Energy: 1.1146537843430064
Energy: 1.1384009472585446
Energy: 1.1146472005972188
Energy: 1.1384381684491351
Energy: 1.534574097859286
Energy: 1.1384381684478988
Energy: 1.034239826521804
Energy: 1.0768173781969772
Energy: 1.0342262975920071
Energy: 1.0768173781982135
Energy: 2.3160020964427086
Energy: 1.048590137190013
Energy: 1.0334728223689729
Energy: 1.0485901371890947
Energy: 1.0340239072944344
Energy: 1.0765795848880733
Energy: 1.0344426485920175
Energy: 1.0765795848874726
Energy: 1.1146537843430064
Energy: 1.1384009472591452
Energy: 1.5318825445635997
Energy: 1.138400947259463
Energy: 1.5345740978596036
Energy: 1.138438168447581
Energy: 1.1146472005981722
Energy: 1.1384381684478988
Energy: 1.0342262975920071
Energy: 1.0768173781985315
Energy: 1.0342398265233583
Energy: 1.0768173781982135
Energy: 1.0334728223692553
Energy: 1.0485901371896953
Energy: 1.1676327727882536
Energy: 1.0485901371896953
Energy: 1.0344426485926534
Energy: 1.0765795848877906
Energy: 1.0340239072944344
Energy: 1.0765795848871547
Energy: 1.531882544563282
Energy: 1.1384009472585446
Energy: 1.1146537843433244
Energy: 1.1384009472585446

minimum gb energy = 1.0334728223689729 eV
minimum distance =  2.26874454709438 Angstroms
sigma value = 9


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

Energy: 1.2726557730511943
Energy: 1.2833719957857674
Energy: 1.3357672871832456
Energy: 1.2833719957903695
Energy: 1.474115000309363
Energy: 1.2481043176307738
Energy: 1.2312221347120926
Energy: 1.2481043176296232
Energy: 1.1974895934140861
Energy: 1.1608410926999078
Energy: 1.159628400151964
Energy: 1.1608410927022088
Energy: 1.2015623446728771
Energy: 1.2311017884766826
Energy: 1.2318910970689796
Energy: 1.2311017884766826
Energy: 1.2966531455067036
Energy: 1.1553008006956644
Energy: 1.4768347848895311
Energy: 1.1553008007002668
Energy: 1.5205938344118588
Energy: 1.2337022768951482
Energy: 1.2583888913779284
Energy: 1.2337022768951482
Energy: 1.2153765597839759
Energy: 1.2484242932555392
Energy: 1.5363892256240612
Energy: 1.2484242932578402
Energy: 1.1553574584625785
Energy: 1.2121726095391854
Energy: 1.2376373934580391
Energy: 1.2121726095368843
Energy: 1.2151339080991073
Energy: 1.2169362795291494
Energy: 1.2159965628487777
Energy: 1.216936279527999
Energy: 1.2555664481230155
Energy: 1.1594909235556448
Energy: 1.2943716215310548
Energy: 1.1594909235556448
Energy: 1.1726948379484043
Energy: 1.2309528721491036
Energy: 1.5670109764832774
Energy: 1.2309528721491036
Energy: 1.5855472421366847
Energy: 1.2779148261647277
Energy: 1.206648808179413
Energy: 1.2779148261670288
Energy: 1.2321193087561124
Energy: 1.168417093510855
Energy: 1.1702140605773843
Energy: 1.1684170935131561
Energy: 1.2454264305772063
Energy: 1.262458385084068
Energy: 1.3039991497560284
Energy: 1.2624583850852187
Energy: 1.277712446777511
Energy: 1.2574596982860273
Energy: 1.2072335801189873
Energy: 1.2574596982837263
Energy: 1.5505931599601985
Energy: 1.1685186298125823
Energy: 1.1728633695318609
Energy: 1.168518629814883
Energy: 1.2593510473168164
Energy: 1.236369141500139
Energy: 1.6153938688467788
Energy: 1.236369141500139
Energy: 1.1754131276772553
Energy: 1.2273150869197889
Energy: 1.2914924973089537
Energy: 1.2273150869232405
Energy: 1.5144298593550471
Energy: 1.2504112998155572
Energy: 1.214304557375955
Energy: 1.2504112998155572
Energy: 1.201768661909045
Energy: 1.2494846358592442
Energy: 1.2118321490822412
Energy: 1.2494846358592442
Energy: 1.157012064541165
Energy: 1.209464023643399
Energy: 1.4999407316567166
Energy: 1.2094640236457002
Energy: 1.406068529141382
Energy: 1.2606170705625557
Energy: 1.25572153086381
Energy: 1.260617070561405
Energy: 1.3492405017349827
Energy: 1.2316131776070705
Energy: 1.256872683205944
Energy: 1.2316131776082209
Energy: 1.253918089850196
Energy: 1.195759951078643
Energy: 1.5007156860319895
Energy: 1.1957599510763417
Energy: 1.2111089539669098
Energy: 1.247350344638129
Energy: 1.183592382484735
Energy: 1.247350344638129
Energy: 1.3507916169293974
Energy: 1.2250150770537394
Energy: 1.185827181501528
Energy: 1.2250150769916102
Energy: 1.3741825060879147
Energy: 1.245199404519313
Energy: 1.3130356103277994
Energy: 1.2451994045181627
Energy: 1.2712144099805285
Energy: 1.2456746199957214
Energy: 1.4277974960042175
Energy: 1.2456746200003233
Energy: 1.501982622446947
Energy: 1.226084622086873
Energy: 1.1982403920051796
Energy: 1.2260846220880235
Energy: 1.2066212357020243
Energy: 1.2892963243647095
Energy: 1.1838567652834675
Energy: 1.2892963243658602
Energy: 1.1963952718492894
Energy: 1.2318009711597409
Energy: 1.4986589036428741
Energy: 1.2318009711563414
Energy: 1.3500094001910905
Energy: 1.2456191323923307
Energy: 1.2592610649362483
Energy: 1.2456191323957824
Energy: 1.545479097890916
Energy: 1.24287015627068
Energy: 1.2625874112286766
Energy: 1.242870156268379
Energy: 1.2039180104218241
Energy: 1.2091547074028912
Energy: 1.488748471969121
Energy: 1.2091547074051923
Energy: 1.2004057653403957
Energy: 1.2501984496618965
Energy: 1.211834962528779
Energy: 1.2501984496653482

minimum gb energy = 1.1553008006956644 eV
minimum distance =  2.24392564732307 Angstroms
sigma value = 73


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

Energy: 1.385305905228842
Energy: 1.2688443033911265
Energy: 1.4041981179449259
Energy: 1.268844303390027
Energy: 1.3445142741277487
Energy: 1.2596196144356953
Energy: 1.2706355999337724
Energy: 1.2596196144366076
Energy: 1.2306254982451357
Energy: 1.2158864638897957
Energy: 1.1739412203895552
Energy: 1.2158864638916005
Energy: 1.2019769477472106
Energy: 1.1807028048417059
Energy: 1.2701658005958443
Energy: 1.1807028048439048
Energy: 1.355987140944609
Energy: 1.1802933865261693
Energy: 1.3137809475083286
Energy: 1.1802933865261693
Energy: 1.6491235782179126
Energy: 1.2607651513863494
Energy: 1.1845025661371287
Energy: 1.2607651513848972
Energy: 1.2346483313582062
Energy: 1.2455999838566771
Energy: 1.4210850132310024
Energy: 1.2455999838552254
Energy: 1.1822980693074716
Energy: 1.1804729964048537
Energy: 1.2601228297072375
Energy: 1.180472996404667
Energy: 1.4069443138994528
Energy: 1.2157653435932763
Energy: 1.3182655074644352
Energy: 1.2157653435923637
Energy: 1.224164937454337
Energy: 1.2156755111009576
Energy: 1.305857130156459
Energy: 1.2156755111009576
Energy: 1.1804496743050257
Energy: 1.1803242967094556
Energy: 1.5574096313953412
Energy: 1.1803242967114675
Energy: 1.4872472816567066
Energy: 1.2657170881324855
Energy: 1.314218400080742
Energy: 1.2657170881341244
Energy: 1.3542420984813714
Energy: 1.2589058793867827
Energy: 1.181824099471916
Energy: 1.2589058793862433
Energy: 1.230575260810066
Energy: 1.315798687913834
Energy: 1.5702985994614305
Energy: 1.3157986879140207
Energy: 1.1993558796722683
Energy: 1.1802464049439985
Energy: 1.2256487488467775
Energy: 1.180246404944185
Energy: 1.3215493291898257
Energy: 1.2160567074774913
Energy: 1.2097818654935493
Energy: 1.2160567074793165
Energy: 1.3100848517012016
Energy: 1.2704400509353089
Energy: 1.5758022158267395
Energy: 1.2704400509369476
Energy: 1.3104749790227643
Energy: 1.2702232403758724
Energy: 1.509669682784287
Energy: 1.2702232403742335
Energy: 1.5451418693197156
Energy: 1.2168064865329986
Energy: 1.2440024208779565
Energy: 1.2168064865320862
Energy: 1.1991506575125006
Energy: 1.2667539688165872
Energy: 1.173859876833958
Energy: 1.2667539688160478
Energy: 1.2304932319327946
Energy: 1.2837540660317934
Energy: 1.5718309494652771
Energy: 1.2837540660301547
Energy: 1.3547171905824518
Energy: 1.26589380497353
Energy: 1.1818276073485325
Energy: 1.2658938049746087

minimum gb energy = 1.173859876833958 eV
minimum distance =  2.23950749523425 Angstroms
sigma value = 7


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

Energy: 1.681415901635828
Energy: 1.4240418147365403
Energy: 1.4792208248986283
Energy: 1.4240418147378309
Energy: 1.5109241743238444
Energy: 1.2796117147328
Energy: 1.2812474058537011
Energy: 1.2796117147340909
Energy: 1.2688524872207099
Energy: 1.2630746844815872
Energy: 1.2584366812872319
Energy: 1.2630746844802965
Energy: 1.223501669322129
Energy: 1.1830575407719208
Energy: 1.2737945062626421
Energy: 1.183057540769339
Energy: 1.3237184929176338
Energy: 1.2099970573854344
Energy: 1.2399958776998017
Energy: 1.2099970573867251
Energy: 1.5638372775354075
Energy: 1.2479423965761607
Energy: 1.239755063248014
Energy: 1.2479423965774514
Energy: 1.3058005610951642
Energy: 1.2945288969381612
Energy: 1.6158752784935715
Energy: 1.2945288969368707
Energy: 1.2399410060124556
Energy: 1.2479344736851596
Energy: 1.3092445626821487
Energy: 1.2479344736864504
Energy: 1.5430941099869382
Energy: 1.2355721264811592
Energy: 1.2402478485472255
Energy: 1.2355721264708328
Energy: 1.2641475596923417
Energy: 1.1841899686537027
Energy: 1.222563466261078
Energy: 1.1841899686537027
Energy: 1.2742866998070042
Energy: 1.264244586241973
Energy: 1.4310387214111155
Energy: 1.2642445862445546
Energy: 1.5737752544044692
Energy: 1.2622480398236777
Energy: 1.359416045375433
Energy: 1.262248039822387
Energy: 1.5687261246108528
Energy: 1.3025729809727105
Energy: 1.3595868323105569
Energy: 1.3025729809752922
Energy: 1.3243419244726495
Energy: 1.3040930264988853
Energy: 1.5038747062585975
Energy: 1.3040930264975943
Energy: 1.2608513433209267
Energy: 1.2575884570905846
Energy: 1.2226475803323196
Energy: 1.2575884570918754
Energy: 1.5695709144401309
Energy: 1.4010312238034326
Energy: 1.2810157603943848
Energy: 1.4010312238034326
Energy: 1.2401792987273481
Energy: 1.2714893519614636
Energy: 1.3088962183230488
Energy: 1.2714893519563004
Energy: 1.2737282837571686
Energy: 1.2106695487856665
Energy: 1.566731528276307
Energy: 1.2106695488205172
Energy: 1.5687751349666497
Energy: 1.2475079157025943
Energy: 1.2408731954663939
Energy: 1.2475079157013034
Energy: 1.3038711600763224
Energy: 1.2102990831569533
Energy: 1.241481264092118
Energy: 1.2102990831569533
Energy: 1.2694786160272828
Energy: 1.3036603046540227
Energy: 1.3649815197339192
Energy: 1.3036603046566042
Energy: 1.2225679980914241
Energy: 1.2617174519502783
Energy: 1.2567316436969411
Energy: 1.261717451951569
Energy: 1.52526876506064
Energy: 1.241568905692943
Energy: 1.274470698191642
Energy: 1.241568905692943
Energy: 1.504710160057792
Energy: 1.4225291002668996
Energy: 1.59367153559209
Energy: 1.4225291002707718
Energy: 1.505161067284325
Energy: 1.2235412401847479
Energy: 1.2762126147064232
Energy: 1.2235412401808754
Energy: 1.3311162746167629
Energy: 1.2619566091557848
Energy: 1.2568290162208864
Energy: 1.2619566091532033
Energy: 1.2219374474477271
Energy: 1.1830305716844283
Energy: 1.2750727087397036
Energy: 1.183030571685719
Energy: 1.3242612961328948
Energy: 1.2110881085245462
Energy: 1.5041675931181524
Energy: 1.211088108519383
Energy: 1.3021966750671812
Energy: 1.2478772008595838
Energy: 1.2628664586885872
Energy: 1.2478772008634562
Energy: 1.562695838625233
Energy: 1.3374940795432677
Energy: 1.5623780801833782
Energy: 1.3374940795432677
Energy: 1.2630838019147708
Energy: 1.247666621922797
Energy: 1.3316216109398642
Energy: 1.247666621922797

minimum gb energy = 1.1830305716844283 eV
minimum distance =  2.23131196558753 Angstroms
sigma value = 29


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

Energy: 1.123869967061845
Energy: 1.2766569814455597
Energy: 1.4756025130159138
Energy: 1.2766569814451352
Energy: 1.5046772018619043
Energy: 1.1989583000531117
Energy: 1.1767372272557637
Energy: 1.1989583000531117
Energy: 1.3804137388647446
Energy: 1.1535565029675285
Energy: 1.1555933453142408
Energy: 1.1535565029684025
Energy: 1.5465336728923402
Energy: 1.2768253813495034
Energy: 1.1509401995937003
Energy: 1.2768253813499533
Energy: 1.5695148467944313
Energy: 1.2368348313990443
Energy: 1.1506372951112105
Energy: 1.236834831399494
Energy: 1.380840269929233
Energy: 1.1542960858394726
Energy: 1.1542181396824687
Energy: 1.1542960858394726
Energy: 1.2638300366867998
Energy: 1.2314951214741416
Energy: 1.4816421810767006
Energy: 1.231495121470195
Energy: 1.120102900356351
Energy: 1.230571265172681
Energy: 1.8098774137880191
Energy: 1.2305712651744296
Energy: 1.5040625285518436
Energy: 1.1754125023931714
Energy: 1.2386168257809775
Energy: 1.1754125023918476

minimum gb energy = 1.120102900356351 eV
minimum distance =  2.34849340397896 Angstroms
sigma value = 5


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

Energy: 1.349048674076356
Energy: 1.3247934230907394
Energy: 1.7711670320652186
Energy: 1.324793423093178
Energy: 1.5335712781635036
Energy: 1.204195944623778
Energy: 1.320054624116354
Energy: 1.204195944618901
Energy: 1.2238299311133871
Energy: 1.2637383455762585
Energy: 1.2229703252869115
Energy: 1.263738345570162
Energy: 1.2238481986169962
Energy: 1.232322035103828
Energy: 1.361052355714297
Energy: 1.2323220351062667
Energy: 1.1726801141147345
Energy: 1.2417017986782664
Energy: 1.1993286327816532
Energy: 1.2417017986807048
Energy: 1.2617299107020161
Energy: 1.2571357809492727
Energy: 1.2030859085607175
Energy: 1.2571357809492727
Energy: 1.3005910574997799
Energy: 1.2378437162383724
Energy: 1.3745947353956693
Energy: 1.2378437162408111
Energy: 1.302750701547207
Energy: 1.2528496702613323
Energy: 1.422788474391155
Energy: 1.252849670263771
Energy: 1.4721299867193358
Energy: 1.2068833635344853
Energy: 1.308269895160999
Energy: 1.2068833635405818
Energy: 1.4757779279203798
Energy: 1.208222401208538
Energy: 1.3100388513519752
Energy: 1.2082224012073188
Energy: 1.2225393152181965
Energy: 1.2526211699572303
Energy: 1.244548576345359
Energy: 1.2526211699547916
Energy: 1.222602050073355
Energy: 1.2674378649851066
Energy: 1.1923857977394305
Energy: 1.2674378649826683
Energy: 1.3688785437268571
Energy: 1.275817271663021
Energy: 1.1939917023235658
Energy: 1.2758172716605822
Energy: 1.1968329900149957
Energy: 1.2429441964416112
Energy: 1.1941423197531775
Energy: 1.2429441964416112
Energy: 1.2595920089353476
Energy: 1.3230859079828474
Energy: 1.4336443997490929
Energy: 1.3230859079816284
Energy: 1.4774476209727463
Energy: 1.3058139254128152
Energy: 1.3033311051747742
Energy: 1.3058139254054992
Energy: 1.4601374346697427
Energy: 1.237941031806697
Energy: 1.446817951469897
Energy: 1.237941031806697
Energy: 1.2244898651199787
Energy: 1.2616908109046254
Energy: 1.4240323186648567
Energy: 1.2616908109082836
Energy: 1.3297657673059502
Energy: 1.2144406249773139
Energy: 1.2588922816726897
Energy: 1.2144406249773139
Energy: 1.2137340399422483
Energy: 1.2608011316550853
Energy: 1.202746171608224
Energy: 1.260801131653866
Energy: 1.2246693691878876
Energy: 1.2336009021863839
Energy: 1.232305590636472
Energy: 1.2336009021876033
Energy: 1.3527298894869584
Energy: 1.2409822374858872
Energy: 1.2188406239606702
Energy: 1.2409822374822295
Energy: 1.2241241837051322
Energy: 1.2647773587362787
Energy: 1.2183402667801124
Energy: 1.2647773587314015
Energy: 1.4236781405648227
Energy: 1.2131579869978077
Energy: 1.5941642405787408
Energy: 1.2131579869880535
Energy: 1.419386289558333
Energy: 1.2129927323018594
Energy: 1.5749338072404138
Energy: 1.2129927322982015
Energy: 1.368152152804654
Energy: 1.2414980610989392
Energy: 1.2152767674727845
Energy: 1.2414980611038162
Energy: 1.2852909840631983
Energy: 1.2429873040551922
Energy: 1.2182090160385917
Energy: 1.2429873040600692
Energy: 1.2402640427122351
Energy: 1.2382926238515009
Energy: 1.4378227287643235
Energy: 1.2382926238539393
Energy: 1.2144285944962743
Energy: 1.2642369934211617
Energy: 1.2004840917928352
Energy: 1.2642369934175037
Energy: 1.439026810313665
Energy: 1.33108007538485
Energy: 1.2834151286518498
Energy: 1.3310800753836305
Energy: 1.2579971596060766
Energy: 1.2603877017416578
Energy: 1.3315470773903224
Energy: 1.2603877017392193
Energy: 1.3251554679836015
Energy: 1.1916900574405793
Energy: 1.5340283935814152
Energy: 1.1916900574369769
Energy: 1.6391036744596774
Energy: 1.2894870199039976
Energy: 1.307870030965377
Energy: 1.2894870199039976

minimum gb energy = 1.1726801141147345 eV
minimum distance =  2.23712352937052 Angstroms
sigma value = 1


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

Energy: 1.327887647790759
Energy: 1.2668389102935813
Energy: 1.7260383635557088
Energy: 1.2668389102885238
Energy: 1.3305347104674543
Energy: 1.2148327560942405
Energy: 1.2871017874542925
Energy: 1.2148327560925543
Energy: 1.2692477463665521
Energy: 1.2467128721428615
Energy: 1.3851823316162024
Energy: 1.2467128721411755
Energy: 1.2481322862938082
Energy: 1.2168735603752372
Energy: 1.322023852658517
Energy: 1.2168735603752372
Energy: 1.1701196718449733
Energy: 1.1916272248185735
Energy: 1.1728001537579413
Energy: 1.1916272248202593
Energy: 1.16937973544703
Energy: 1.1689536029970053
Energy: 1.1682892778473375
Energy: 1.168953602998691
Energy: 1.2955744126453799
Energy: 1.2102231957271583
Energy: 1.3031144913557715
Energy: 1.2102231957271583
Energy: 1.2958889917603125
Energy: 1.2097868581947664
Energy: 1.2445269262818668
Energy: 1.2097868581947664
Energy: 1.262540464479865
Energy: 1.191886755852042
Energy: 1.1960860254928314
Energy: 1.1918867558486703
Energy: 1.262540464479865
Energy: 1.1914101900286858
Energy: 1.1958395879554837
Energy: 1.1914101900269998
Energy: 1.2954651684808964
Energy: 1.2101348188346617
Energy: 1.2445269262869243
Energy: 1.2101348188346617
Energy: 1.2956187977653646
Energy: 1.2104009227313297
Energy: 1.3031144913540857
Energy: 1.2104009227313297
Energy: 1.1746734992983932
Energy: 1.2235389321536645
Energy: 1.1688346949096429
Energy: 1.2235389321149277
Energy: 1.1696989892823049
Energy: 1.1935074976215352
Energy: 1.172733544773492
Energy: 1.1935074976198492
Energy: 1.2029936366368386
Energy: 1.2161065198769452
Energy: 1.3469939797990886
Energy: 1.2161065198786312
Energy: 1.269247746368238
Energy: 1.2463640600050325
Energy: 1.3293416995877771
Energy: 1.2463640600050325
Energy: 1.3044448694150044
Energy: 1.1679547015255503
Energy: 1.3129803609005808
Energy: 1.1679547015255503
Energy: 1.327887647792445
Energy: 1.2668389102935813
Energy: 1.7260383635590806
Energy: 1.2668389102885238
Energy: 1.3305347104691403
Energy: 1.2148327560925543
Energy: 1.2871017874526067
Energy: 1.2148327560925543
Energy: 1.269247746368238
Energy: 1.2467128721428615
Energy: 1.3851823316178882
Energy: 1.2467128721411755
Energy: 1.2481322862954942
Energy: 1.2168735603735514
Energy: 1.322023852658517
Energy: 1.2168735603735514
Energy: 1.170119671846659
Energy: 1.1916272248202593
Energy: 1.1728001537562556
Energy: 1.1916272248202593
Energy: 1.16937973544703
Energy: 1.1689536029970053
Energy: 1.1682892778473375
Energy: 1.1689536029970053
Energy: 1.2955744126470659
Energy: 1.2102231957271583
Energy: 1.303114491352438
Energy: 1.2102231957288443

minimum gb energy = 1.1679547015255503 eV
minimum distance =  2.2244954177382 Angstroms
sigma value = 17


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

Energy: 1.3854243450315984
Energy: 1.2129495516431492
Energy: 1.764541351367297
Energy: 1.2129495516410653
Energy: 1.4505792598901324
Energy: 1.261837531509079
Energy: 1.3735137150222148
Energy: 1.2618375315038692
Energy: 1.185993441572175
Energy: 1.2086500487007812
Energy: 1.2152846350982989
Energy: 1.2086500486997394
Energy: 1.2253491515517905
Energy: 1.1868136006690184
Energy: 1.3595375379529384
Energy: 1.1868136006679766
Energy: 1.2001464870102063
Energy: 1.201766927670995
Energy: 1.1981388196374592
Energy: 1.2017669276741207
Energy: 1.2110169801263
Energy: 1.204681291494211
Energy: 1.1945040088911085
Energy: 1.2046812914962952
Energy: 1.2028482045721594
Energy: 1.2051596572389627
Energy: 1.1659300392761467
Energy: 1.2051596572389627
Energy: 1.2028795992309416
Energy: 1.205098458806846
Energy: 1.1991357672698122
Energy: 1.2050984587995524
Energy: 1.4367957235691307
Energy: 1.192862810741849
Energy: 1.3503042443338575
Energy: 1.192862810741849
Energy: 1.485036135058174
Energy: 1.192331536305377
Energy: 1.3473401419162299
Energy: 1.192331536308503
Energy: 1.2489049670170682
Energy: 1.1878346869303593
Energy: 1.4567739289278623
Energy: 1.1878346869345275
Energy: 1.2470594684261609
Energy: 1.1877973132147868
Energy: 1.374306813989214
Energy: 1.187797313211708
Energy: 1.2126807398815507
Energy: 1.2089034213771876
Energy: 1.2045878651509874
Energy: 1.2089034213844343
Energy: 1.1751361703048002
Energy: 1.2021014915701465
Energy: 1.2044531033117682
Energy: 1.2021014915701465
Energy: 1.1813528235131003
Energy: 1.2196683468607357
Energy: 1.2082812323598366
Energy: 1.2196683468607357
Energy: 1.1844637856985722
Energy: 1.2033268074120398
Energy: 1.1834517707585868
Energy: 1.2033268074089138
Energy: 1.3411101653516795
Energy: 1.1733048978975924
Energy: 1.241950986192213
Energy: 1.1733048979038443
Energy: 1.2433639818822881
Energy: 1.2122646561216974
Energy: 1.363873750957778
Energy: 1.2122646561175296
Energy: 1.346043299593943
Energy: 1.1783924925291982
Energy: 1.3519540437942017
Energy: 1.1783924925302403
Energy: 1.5812016094012054
Energy: 1.194094678075675
Energy: 1.2548512341253468
Energy: 1.194094678076717
Energy: 1.2916192811642475
Energy: 1.2778997991582839
Energy: 1.4404589282665932
Energy: 1.2778997991562
Energy: 1.1965500951563992
Energy: 1.200881785165516
Energy: 1.1656658918380631
Energy: 1.200881785168642
Energy: 1.3374920339134244
Energy: 1.206357198095397
Energy: 1.2452287937679485
Energy: 1.206357198098523
Energy: 1.1892785672739603
Energy: 1.2040664073770742
Energy: 1.1618555055033548
Energy: 1.2040664073760319
Energy: 1.207062563412986
Energy: 1.224086302286485
Energy: 1.3934963686337414
Energy: 1.2240863022844009
Energy: 1.1872749013572483
Energy: 1.2015247522514754
Energy: 1.2077862702869837
Energy: 1.2015247522504335
Energy: 1.190439015396148
Energy: 1.2024151838652721
Energy: 1.2426496390384096
Energy: 1.20241518386423
Energy: 1.3632014703045834
Energy: 1.1708006558340964
Energy: 1.5647412025930774
Energy: 1.1708006558309703
Energy: 1.3547035164345593
Energy: 1.1708948808741422
Energy: 1.563414749315685
Energy: 1.1708948808710162
Energy: 1.186162255031679
Energy: 1.2017993750543405
Energy: 1.2078930175107578
Energy: 1.2017993750543405
Energy: 1.188414567043659
Energy: 1.202223485275678
Energy: 1.2429162188750142
Energy: 1.202223485275678
Energy: 1.1861255190268853
Energy: 1.2178033474679257
Energy: 1.2078543115560068
Energy: 1.217803347463758
Energy: 1.1946694237525517
Energy: 1.2042079039186362
Energy: 1.1616288879491476
Energy: 1.2042079039165525
Energy: 1.30199883109677
Energy: 1.2072771682041112
Energy: 1.1659241679581482
Energy: 1.2072771682020274
Energy: 1.203307921460928
Energy: 1.2010432267074165
Energy: 1.2063415698196078
Energy: 1.2010432267053326
Energy: 1.308261773425054
Energy: 1.1680401000235143
Energy: 1.3634232463293012
Energy: 1.1680401000224725
Energy: 1.5986626365785361
Energy: 1.1932125653983867
Energy: 1.2547611112012467
Energy: 1.1932125653994288
Energy: 1.3617826124113193
Energy: 1.179726331857897
Energy: 1.4369044287571973
Energy: 1.1797263318558129

minimum gb energy = 1.1616288879491476 eV
minimum distance =  2.23918216386952 Angstroms
sigma value = 89


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

Energy: 1.2742761304145844
Energy: 1.136879532739404
Energy: 1.4003584743821684
Energy: 1.1368795327399615
Energy: 1.2325239949061015
Energy: 1.3223227911312314
Energy: 1.2559118171989603
Energy: 1.3223227911315103
Energy: 1.2335878851070599
Energy: 1.1271679426534862
Energy: 1.142128454571325
Energy: 1.1271679426534862
Energy: 1.1537429219492805
Energy: 1.1426586960333704
Energy: 1.3010557688620188
Energy: 1.142658696032007
Energy: 1.155932607808303
Energy: 1.142563737606551
Energy: 1.1249647668428828
Energy: 1.14256373760683
Energy: 1.1471212465755471
Energy: 1.2724721755676414
Energy: 1.2078020239417835
Energy: 1.272472175567084
Energy: 1.1468949821843988
Energy: 1.1275472804171065
Energy: 1.1249360788339533
Energy: 1.127547280417664
Energy: 1.1487950681135692
Energy: 1.154766534652484
Energy: 1.2527387062476245
Energy: 1.154766534653042
Energy: 1.234345430140811
Energy: 1.142889418719529
Energy: 1.1275549102132332
Energy: 1.1428894187192502
Energy: 1.147981298416312
Energy: 1.1424418865246704
Energy: 1.1273184223288986
Energy: 1.1424418865243913
Energy: 1.2304885686660305
Energy: 1.1273847104417916
Energy: 1.26406499682451
Energy: 1.1273847104423493
Energy: 1.2304944238113924
Energy: 1.1277830769815431
Energy: 1.2641068704030434
Energy: 1.1277830769815431
Energy: 1.2344288535368424
Energy: 1.1429869617701256
Energy: 1.127935614203277
Energy: 1.1429869617698467
Energy: 1.2331516528635265
Energy: 1.1424159950901442
Energy: 1.1271221049576594
Energy: 1.1424159950901442
Energy: 1.146579137321575
Energy: 1.1432229645004242
Energy: 1.1817236934488549
Energy: 1.1432229644998666

minimum gb energy = 1.1249360788339533 eV
minimum distance =  2.24017140584729 Angstroms
sigma value = 13


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

Energy: 1.1934420055405885
Energy: 1.0981917619475028
Energy: 1.4015384912090922
Energy: 1.09819176194636
Energy: 1.173094387337706
Energy: 1.2411180038895444
Energy: 1.1429502115644659
Energy: 1.241118003890687
Energy: 1.1576339536315028
Energy: 1.0690120565486407
Energy: 1.1506140213678488
Energy: 1.0690120565486407
Energy: 1.1331885295447626
Energy: 1.1414482204977099
Energy: 1.1448767357927285
Energy: 1.141448220496567
Energy: 1.0950326923457487
Energy: 1.0774861755248402
Energy: 1.1068779058305382
Energy: 1.0774861755248402
Energy: 1.2017076974274368
Energy: 1.0780026548358326
Energy: 1.1360076318244787
Energy: 1.0780026548358326
Energy: 1.1038399091877038
Energy: 1.0690889589265675
Energy: 1.106038806696061
Energy: 1.0690889589254249
Energy: 1.110157105709231
Energy: 1.1001552991180392
Energy: 1.1046630191114704
Energy: 1.1001552991180392
Energy: 1.1017468696830008
Energy: 1.0772337294991203
Energy: 1.0946190620304934
Energy: 1.0772337294991203
Energy: 1.2707308340117651
Energy: 1.0779957392962864
Energy: 1.144443270295351
Energy: 1.0779957392962864
Energy: 1.1452157126119855
Energy: 1.0690813732209314
Energy: 1.1519447275274408
Energy: 1.0690813732197886
Energy: 1.1295593307347924
Energy: 1.071369551582029
Energy: 1.1017765061488898
Energy: 1.071369551580886
Energy: 1.1612085715919724
Energy: 1.0917503913701614
Energy: 1.1745257872206032
Energy: 1.0917503913701614
Energy: 1.1797727357140233
Energy: 1.0950182766994576
Energy: 1.267240175381353
Energy: 1.0950182766994576
Energy: 1.1451982829891452
Energy: 1.068051964123628
Energy: 1.1510734133695188
Energy: 1.068051964123628
Energy: 1.1296728047931197
Energy: 1.068317568654649
Energy: 1.1569357764743076
Energy: 1.0683175686569346
Energy: 1.1616271179599431
Energy: 1.0772231271007464
Energy: 1.094762673532109
Energy: 1.0772231270996036
Energy: 1.107128895163828
Energy: 1.077834786115728
Energy: 1.1546225596622266
Energy: 1.0778347861168707
Energy: 1.1038848382328292
Energy: 1.0676570478531906
Energy: 1.1104728550107255
Energy: 1.0676570478543332
Energy: 1.1101739728579787
Energy: 1.067618206915761
Energy: 1.1038469690517947
Energy: 1.067618206915761
Energy: 1.1546199916120587
Energy: 1.0778639115639506
Energy: 1.1080049773149276
Energy: 1.0778639115650934
Energy: 1.0945714367378812
Energy: 1.0772381486933376
Energy: 1.1616271179599431
Energy: 1.0772381486933376
Energy: 1.1569357764731647
Energy: 1.0685220028929303
Energy: 1.1296820614395584
Energy: 1.0685220028940732
Energy: 1.1510734133706617
Energy: 1.0680328047440555
Energy: 1.1452008487365886
Energy: 1.0680328047451981
Energy: 1.2671148213937058
Energy: 1.094826297310323
Energy: 1.1797499657003092
Energy: 1.0948262973114657
Energy: 1.1746985917951804
Energy: 1.0917144837847348
Energy: 1.161208571594258
Energy: 1.0917144837835921
Energy: 1.1012917494849288
Energy: 1.0712053826027526
Energy: 1.1295938853253915
Energy: 1.0712053826004673
Energy: 1.1519447275320118
Energy: 1.0688153476813314
Energy: 1.1452018032602098
Energy: 1.0688153476801885
Energy: 1.144451034201791
Energy: 1.077992074824093
Energy: 1.2708305774662332
Energy: 1.0779920748263785
Energy: 1.0945355853731706
Energy: 1.0772206425591915
Energy: 1.1018857835884122
Energy: 1.0772206425580486
Energy: 1.1050015453337612
Energy: 1.1002815626001687
Energy: 1.110766275010566
Energy: 1.1002815626013114
Energy: 1.1059544395761183
Energy: 1.0690956178647957
Energy: 1.103834491072506
Energy: 1.0690956178659385
Energy: 1.136070552100652
Energy: 1.0777667650889893
Energy: 1.2016618920331499
Energy: 1.0777667650901321
Energy: 1.1068285330594827
Energy: 1.0774861954544803
Energy: 1.0948773039065145
Energy: 1.0774861954544803
Energy: 1.1448576950100076
Energy: 1.141406940171124
Energy: 1.1329847228420955
Energy: 1.141406940171124

minimum gb energy = 1.067618206915761 eV
minimum distance =  2.25665953518778 Angstroms
sigma value = 37


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

Energy: 1.2044706992474268
Energy: 1.0442340193751
Energy: 1.340694263867566
Energy: 1.0442340193751
Energy: 1.2212307692532274
Energy: 1.2839104409405715
Energy: 1.14617861126196
Energy: 1.2839104409403705
Energy: 1.1300180906355501
Energy: 1.0021150297926333
Energy: 1.1341532688968725
Energy: 1.0021150297932142
Energy: 1.1680869319917528
Energy: 1.0266537276605505
Energy: 1.1460419964181718
Energy: 1.0266537276587853
Energy: 1.07846065774952
Energy: 1.0016559121806223
Energy: 1.1241834619873368
Energy: 1.0016559121814044
Energy: 1.1682181765292248
Energy: 1.0156030864976406
Energy: 1.0896954730821196
Energy: 1.0156030864966579
Energy: 1.0612128680920263
Energy: 1.0024621410770909
Energy: 1.0658551274465813
Energy: 1.0024621410766885
Energy: 1.1111405082174413
Energy: 1.3635894956464136
Energy: 1.1272412651423045
Energy: 1.3635894956464136
Energy: 1.059402472132661
Energy: 1.0009134869101035
Energy: 1.0839556790479978
Energy: 1.0009134869102823
Energy: 1.167726678667084
Energy: 1.0161241649866055
Energy: 1.0805852812154633
Energy: 1.0161241649860246
Energy: 1.0672571192327815
Energy: 1.0005147783725739
Energy: 1.123517397576971
Energy: 1.000514778372373
Energy: 1.0673688666164458
Energy: 1.0162037384817646
Energy: 1.2316274239816274
Energy: 1.0162037384821667
Energy: 1.130306537372296
Energy: 1.000626744595516
Energy: 1.1245155222596432
Energy: 1.000626744597281
Energy: 1.0613642624201236
Energy: 1.0003988815599145
Energy: 1.1234308154097705
Energy: 1.0003988815589313
Energy: 1.1666466588048992
Energy: 1.042045822224667
Energy: 1.1229088225044384
Energy: 1.042045822224667
Energy: 1.1450051694681092
Energy: 1.0432727844158896
Energy: 1.119931847346773
Energy: 1.0432727844149066
Energy: 1.1301429603973359
Energy: 1.0003896709442066
Energy: 1.1335111016015245
Energy: 1.0003896709446087
Energy: 1.1287191391701905
Energy: 1.0005582057850757
Energy: 1.1233918944461099
Energy: 1.0005582057852769
Energy: 1.067268855202283
Energy: 1.0002112751735137
Energy: 1.1237038871813412
Energy: 1.000211275174318
Energy: 1.0675357804759074
Energy: 1.0168809465414494
Energy: 1.132468159621788
Energy: 1.0168809465396844

minimum gb energy = 1.0002112751735137 eV
minimum distance =  2.25068776798362 Angstroms
sigma value = 25


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

Energy: 1.1323389470494907
Energy: 0.9455667682801235
Energy: 1.1989452320823293
Energy: 0.9455667682801235
Energy: 1.0701757183451184
Energy: 1.1628974609603675
Energy: 1.039515945183128
Energy: 1.1628974609588323
Energy: 1.0315901027825676
Energy: 0.9275134628977443
Energy: 1.091550350436195
Energy: 0.9275134628992794
Energy: 1.0422128467935616
Energy: 0.9745532956990901
Energy: 1.0955238322941911
Energy: 0.9745532956975549
Energy: 1.029809092289194
Energy: 0.9063957607036282
Energy: 1.010765425771511
Energy: 0.9063957607036282
Energy: 1.0418925859102703
Energy: 0.9522056182327033
Energy: 1.0486308377509963
Energy: 0.9522056182296329
Energy: 0.9845821344411594
Energy: 0.908358582120465
Energy: 1.0104661037022598
Energy: 0.908358582120465
Energy: 1.0189563022404626
Energy: 0.9117612819994497
Energy: 1.0683168771776836
Energy: 0.9117612820025199
Energy: 0.9713930107979775
Energy: 0.9061290262317155
Energy: 0.9845715935020295
Energy: 0.9061290262317155
Energy: 1.035771712777227
Energy: 1.2742859942153837
Energy: 1.0091495959141799
Energy: 1.2742859942153837
Energy: 0.9730399004532533
Energy: 0.9087255538174085
Energy: 0.9849775368654005
Energy: 0.9087255538189437
Energy: 1.0178220838967988
Energy: 0.9151312993309157
Energy: 1.0677179822670857
Energy: 0.9151312993278452
Energy: 0.9770809840694219
Energy: 0.9060223967871706
Energy: 1.0055587047311887
Energy: 0.9060223967856352
Energy: 1.0180709370035752
Energy: 1.0114511493171991
Energy: 1.0056381923229036
Energy: 1.0114511493171991
Energy: 1.0188632895370797
Energy: 0.9060302163090006
Energy: 1.0135390030414717
Energy: 0.9060302163090006
Energy: 1.0317624667143426
Energy: 0.9055068012395966
Energy: 0.9849965030699231
Energy: 0.9055068012380615
Energy: 1.0272887156130799
Energy: 0.927779484926963
Energy: 1.066434659584591
Energy: 0.9277794849284984
Energy: 0.9795752645721673
Energy: 0.9851065460059705
Energy: 1.0453417516590378
Energy: 0.9851065460075056
Energy: 1.1051929691104887
Energy: 0.9446506526766935
Energy: 1.0144546190337642
Energy: 0.9446506526766935
Energy: 1.0695514129010983
Energy: 0.9714005566442547
Energy: 1.0534664134538463
Energy: 0.9714005566457897
Energy: 1.0272164300916091
Energy: 0.9279087721278203
Energy: 1.0660834925098053
Energy: 0.9279087721278203
Energy: 1.0184430842947978
Energy: 0.9253716786290421
Energy: 1.0453620403485435
Energy: 0.9253716786305771
Energy: 1.0190048585305538
Energy: 0.906797576772631
Energy: 1.0101458405268466
Energy: 0.9067975767710956
Energy: 1.05331869349981
Energy: 0.9058614367076299
Energy: 1.0317118669783236
Energy: 0.9058614367060945
Energy: 0.9788807383259339
Energy: 0.9070257468989159
Energy: 1.0049087778341703
Energy: 0.9070257469004511
Energy: 1.026915906827432
Energy: 0.9123240541935049
Energy: 1.005350018836078
Energy: 0.9123240541919697

minimum gb energy = 0.9055068012380615 eV
minimum distance =  2.25778694928572 Angstroms
sigma value = 41


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

Energy: 1.1005915507531414
Energy: 0.8803873983422605
Energy: 1.0891676795280063
Energy: 0.880387398343519
Energy: 0.9393880483361474
Energy: 1.0532196761329113
Energy: 0.9690185900038587
Energy: 1.0532196761291355
Energy: 0.9493647735660075
Energy: 0.8529687012289557
Energy: 1.0368918366229343
Energy: 0.8529687012276971
Energy: 0.9635485662023416
Energy: 0.9108501611624626
Energy: 0.9676105962923709
Energy: 0.9108501611599454
Energy: 1.0103454495802142
Energy: 0.8426457306749866
Energy: 0.9294863738115382
Energy: 0.842645730680021
Energy: 0.9638018359560155
Energy: 0.9036179377931198
Energy: 0.9635443054329652
Energy: 0.9036179377868268
Energy: 0.9263193450963146
Energy: 0.8305652294284527
Energy: 0.9644723730805648
Energy: 0.8305652294284527
Energy: 0.9664678899153982
Energy: 0.9055899285457893
Energy: 0.9632748411522648
Energy: 0.9055899285407547
Energy: 0.9522024216825059
Energy: 0.8305728337649819
Energy: 0.9087509911238215
Energy: 0.8305728337649819
Energy: 0.9921599089675797
Energy: 0.9470077953671848
Energy: 0.9632505394571179
Energy: 0.9470077953671848
Energy: 0.9237371088799091
Energy: 0.8322966967102824
Energy: 0.9170282261380606
Energy: 0.8322966967115409
Energy: 0.9418606990167682
Energy: 1.21331541093579
Energy: 0.9752061138588073
Energy: 1.2133154109332729
Energy: 0.9244107715574384
Energy: 0.8307110967383569
Energy: 0.9160582458891925
Energy: 0.8307110967396156
Energy: 0.9942994029434439
Energy: 0.8372933120746633
Energy: 0.9532914117973307
Energy: 0.8372933120734046
Energy: 0.9496534028379465
Energy: 0.8308451975965622
Energy: 0.9074044662697058
Energy: 0.8308451975965622
Energy: 0.9465929174494098
Energy: 0.9336302201052626
Energy: 1.0209432241057177
Energy: 0.9336302201040041
Energy: 0.9294715984837686
Energy: 0.8306347379290179
Energy: 0.9562822909578766
Energy: 0.8306347379340524
Energy: 0.9678606724896579
Energy: 0.8306774418653669
Energy: 0.9676632961339928
Energy: 0.8306774418615911
Energy: 0.9928930409430249
Energy: 0.8426160671905432
Energy: 0.9311354994006729
Energy: 0.8426160671867674
Energy: 0.9732801557304241
Energy: 0.903225370801969
Energy: 0.932238140015207
Energy: 0.9032253707994518
Energy: 0.9474017551284397
Energy: 0.8518289078021578
Energy: 1.0145735223845542
Energy: 0.8518289078059336
Energy: 0.9400589474263881
Energy: 0.9189169034025978
Energy: 0.9694482251893715
Energy: 0.9189169034076322
Energy: 1.0671760620129662
Energy: 0.8800238159079067
Energy: 0.933298574330758
Energy: 0.8800238159104239
Energy: 0.993353370125134
Energy: 0.9155374528662149
Energy: 0.9596904550125245
Energy: 0.9155374528674737
Energy: 0.9474272233424962
Energy: 0.8519096789483362
Energy: 1.0145529420773058
Energy: 0.851909678955888
Energy: 0.9677490623998452
Energy: 0.893430545520203
Energy: 0.9678391981316646
Energy: 0.8934305455227203
Energy: 0.9928867707248749
Energy: 0.8425787989971592
Energy: 0.9338270281492264
Energy: 0.8425787989984177
Energy: 0.973310385715771
Energy: 0.8425238720343088
Energy: 0.970370053761116
Energy: 0.8425238720380845
Energy: 0.9286704717632636
Energy: 0.8307410174343032
Energy: 0.9554612921301691
Energy: 0.830741017435562
Energy: 0.9658760851994637
Energy: 0.8301663201324614
Energy: 0.9666252635912439
Energy: 0.8301663201299441
Energy: 0.9500443748813961
Energy: 0.8307147500327137
Energy: 0.9107916534179925
Energy: 0.8307147500314549
Energy: 0.9469307186262407
Energy: 0.8343062878820467
Energy: 0.9528133743234786
Energy: 0.8343062878820467

minimum gb energy = 0.8301663201299441 eV
minimum distance =  2.26042009364685 Angstroms
sigma value = 15


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

Energy: 1.0356691150495088
Energy: 0.815780398548816
Energy: 1.0449278845430616
Energy: 0.8157803985498825
Energy: 0.9129501265776006
Energy: 0.9692031319767168
Energy: 0.8969881611009665
Energy: 0.9692031319756507
Energy: 0.9643520634359556
Energy: 0.8039232507687718
Energy: 0.9835224261487041
Energy: 0.803923250765573
Energy: 0.9077860922540285
Energy: 0.8444994060654575
Energy: 0.8972092875223896
Energy: 0.8444994060665236
Energy: 0.961278026485111
Energy: 0.7864619580880264
Energy: 0.8657538076888962
Energy: 0.7864619580848278
Energy: 0.9075431101004322
Energy: 0.8400718502792852
Energy: 0.9004341808971793
Energy: 0.8400718502814178
Energy: 0.8579962331809915
Energy: 0.777653235474723
Energy: 0.9283263798414337
Energy: 0.7776532354779218
Energy: 0.9015788304570607
Energy: 0.8417639162469095
Energy: 0.9005967333192615
Energy: 0.8417639162458432
Energy: 0.9069006204089006
Energy: 0.7698376802008579
Energy: 0.8494535419118243
Energy: 0.7698376801997916
Energy: 0.9020461968346012
Energy: 0.8437588942382438
Energy: 0.9033928046448673
Energy: 0.84375889423931
Energy: 0.8556402072845667
Energy: 0.7695174851812172
Energy: 0.8808520747774699
Energy: 0.7695174851812172
Energy: 0.9017749023249624
Energy: 0.9064841148271415
Energy: 0.9290473245293475
Energy: 0.9064841148314066
Energy: 0.8758166990248957
Energy: 0.7708359732867129
Energy: 0.8599630004833301
Energy: 0.7708359732856467
Energy: 0.9122695597234561
Energy: 0.7941334648953134
Energy: 0.8871869744796784
Energy: 0.7941334648963797
Energy: 0.8714013404597628
Energy: 0.7698123916518065
Energy: 0.8562920021855586
Energy: 0.769812391653939
Energy: 0.9013835510583096
Energy: 0.9532069648174347
Energy: 0.9374431867908716
Energy: 0.9532069648163685
Energy: 0.8560512844146178
Energy: 0.7697031841115124
Energy: 0.8823399873610887
Energy: 0.7697031841104461
Energy: 0.9452827912604159
Energy: 0.8711956792782914
Energy: 0.8962550875461845
Energy: 0.8711956792750927
Energy: 0.9064325958807748
Energy: 0.7697728845542603
Energy: 0.8539184620239444
Energy: 0.7697728845627902
Energy: 0.9140377235670095
Energy: 0.7832621418797047
Energy: 0.8981744865665284
Energy: 0.7832621418797047
Energy: 0.8603794758925714
Energy: 0.7769594202878234
Energy: 0.9104125014582396
Energy: 0.7769594202867571
Energy: 0.8963905277975768
Energy: 0.8352533223317943
Energy: 0.9162081304448821
Energy: 0.8352533223285955
Energy: 0.947665824106086
Energy: 0.7865288110333754
Energy: 0.8663445046969248
Energy: 0.7865288110355079
Energy: 0.9019654731871752
Energy: 0.8426410749695012
Energy: 0.8778189714109431
Energy: 0.8426410749652362
Energy: 0.8819728613204988
Energy: 0.8034104610740643
Energy: 0.9620694591632705
Energy: 0.8034104610740643
Energy: 0.8738356297269686
Energy: 0.8529547804234683
Energy: 0.9189729803456929
Energy: 0.852954780422402
Energy: 1.0094358817162288
Energy: 0.8171176626357387
Energy: 0.8685915522522638
Energy: 0.8171176626357387
Energy: 0.9129674982844423
Energy: 0.8576652765256223
Energy: 0.8776853031171644
Energy: 0.8576652765224235
Energy: 0.887905161343141
Energy: 0.802215018681021
Energy: 0.9621785755818432
Energy: 0.8022150186820872
Energy: 0.8961712369342661
Energy: 0.8427208767016714
Energy: 0.9191042394927154
Energy: 0.8427208767016714
Energy: 0.9480758991552288
Energy: 0.7862542740397439
Energy: 0.8685658735826337
Energy: 0.7862542740440088
Energy: 0.9021283497100944
Energy: 0.8386565496317896
Energy: 0.8982470232149357
Energy: 0.8386565496371208
Energy: 0.8594881274635325
Energy: 0.7770668336578326
Energy: 0.9177354003300832
Energy: 0.7770668336610314
Energy: 0.8997185846238508
Energy: 0.7772532795909978
Energy: 0.9118808508636767
Energy: 0.7772532795931302
Energy: 0.9064368147409332
Energy: 0.7695240223690275
Energy: 0.8552195933797698
Energy: 0.7695240223700938
Energy: 0.9056075199478367
Energy: 0.7803975451973412
Energy: 0.902689785093534
Energy: 0.7803975451962749
Energy: 0.8640586201773827
Energy: 0.7697334381583573
Energy: 0.882344889673004
Energy: 0.769733438153026

minimum gb energy = 0.7695174851812172 eV
minimum distance =  2.26244825826681 Angstroms
sigma value = 85


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

Energy: 1.0307969624530362
Energy: 0.7794675122183575
Energy: 0.8878757157469314
Energy: 0.7794675122183575
Energy: 0.8030698972587613
Energy: 0.9079909104305283
Energy: 0.8399966385803735
Energy: 0.9079909104323779
Energy: 0.7883410013746669
Energy: 0.7741619219627139
Energy: 0.9903252934365077
Energy: 0.7741619219608644
Energy: 0.8252563770628708
Energy: 0.7591924939363317
Energy: 0.84003994546868
Energy: 0.7591924939363317
Energy: 0.9396742617080859
Energy: 0.7367057392040085
Energy: 0.7810248195147215
Energy: 0.7367057392040085
Energy: 0.8253174507358625
Energy: 0.7552660774097187
Energy: 0.8367400974029668
Energy: 0.7552660774106436
Energy: 0.7817947784020445
Energy: 0.7357745823104977
Energy: 0.9127886553301784
Energy: 0.7357745823104977
Energy: 0.8268462022815445
Energy: 0.8038244275548205
Energy: 0.836937733400397
Energy: 0.8038244275566702
Energy: 0.8783818079739354
Energy: 0.712899892410506
Energy: 0.7956215072237923
Energy: 0.7128998924114306
Energy: 0.8271443115111892
Energy: 0.768378842288169
Energy: 0.8422616609218595
Energy: 0.7683788422900185
Energy: 0.7710148137056758
Energy: 0.7128215080806979
Energy: 0.8542246583745362
Energy: 0.7128215080834721
Energy: 0.8432205922355472
Energy: 0.785691564271383
Energy: 0.8421705783257352
Energy: 0.7856915642723077
Energy: 0.8244343950633953
Energy: 0.7125674073530592
Energy: 0.7965125097407018
Energy: 0.7125674073539839
Energy: 0.8710949962202188
Energy: 0.8530641837534184
Energy: 0.8422397252597031
Energy: 0.8530641837524938
Energy: 0.784052496597921
Energy: 0.7129455051225025
Energy: 0.813794430226631
Energy: 0.7129455051225025
Energy: 0.8306084136419
Energy: 0.721959082460265
Energy: 0.8481148930067964
Energy: 0.7219590824611898
Energy: 0.7880115972743346
Energy: 0.7128922434733195
Energy: 0.8123272428862411
Energy: 0.7128922434714701
Energy: 0.8730891775502297
Energy: 0.9040438683173654
Energy: 0.8414209163640374
Energy: 0.9040438683164407
Energy: 0.8191149504618936
Energy: 0.7126385934420983
Energy: 0.7932560219949877
Energy: 0.7126385934402488
Energy: 0.8426219108883748
Energy: 0.8169338112183354
Energy: 0.8734392087850793
Energy: 0.8169338112201848
Energy: 0.7740019277898637
Energy: 0.7126144085196285
Energy: 0.8463070944114099
Energy: 0.7126144085168543
Energy: 0.8270871382134825
Energy: 0.7057201675515312
Energy: 0.8403900251493738
Energy: 0.7057201675543057
Energy: 0.8583913243449633
Energy: 0.7114928808248493
Energy: 0.7957106580298439
Energy: 0.7114928808239247
Energy: 0.8499595460822776
Energy: 0.7672795264460764
Energy: 0.815802341449545
Energy: 0.7672795264433022
Energy: 0.7831287977114071
Energy: 0.7365834949605571
Energy: 0.8933489224892086
Energy: 0.7365834949624066
Energy: 0.8254293976049392
Energy: 0.7557693121532736
Energy: 0.8368771836684348
Energy: 0.7557693121486501
Energy: 0.9109419272494961
Energy: 0.7369519104281226
Energy: 0.7814823023926498
Energy: 0.7369519104281226
Energy: 0.8585448041218358
Energy: 0.7691456020605055
Energy: 0.7839507802775438
Energy: 0.7691456020605055
Energy: 0.7875674055097557
Energy: 0.7743240977906594
Energy: 0.9531724130279078
Energy: 0.7743240977925088
Energy: 0.8042188833565098
Energy: 0.7618468449346459
Energy: 0.8398320742900827
Energy: 0.7618468449318717
Energy: 0.9773222112606204
Energy: 0.779778992373974
Energy: 0.783327005379913
Energy: 0.779778992373974
Energy: 0.8740910388583993
Energy: 0.781502982071815
Energy: 0.7838514431342107
Energy: 0.7815029820708903
Energy: 0.7873339460435862
Energy: 0.7743175704274701
Energy: 0.953211804938236
Energy: 0.774317570431169
Energy: 0.8251336923609841
Energy: 0.758721582053433
Energy: 0.8399436969436929
Energy: 0.7587215820515836
Energy: 0.9109800115746937
Energy: 0.7371621704507978
Energy: 0.7831798257564065
Energy: 0.7371621704489484
Energy: 0.8583365085701217
Energy: 0.767440339742228
Energy: 0.8156473036749629
Energy: 0.767440339742228
Energy: 0.7830454230890667
Energy: 0.7352447198772407
Energy: 0.8931254003093085
Energy: 0.7352447198781655
Energy: 0.8269110888125041
Energy: 0.8068007041088838
Energy: 0.8368927131136643
Energy: 0.8068007041125829
Energy: 0.858371085819666
Energy: 0.7114753295589722
Energy: 0.7947842384096286
Energy: 0.7114753295571227
Energy: 0.8503763584372231
Energy: 0.7020954132855638
Energy: 0.8295378777303088
Energy: 0.7020954132846602
Energy: 0.7710603424683109
Energy: 0.711682728315515
Energy: 0.8463762521123797
Energy: 0.7116827283108914
Energy: 0.8429909923535976
Energy: 0.7056352031961698
Energy: 0.8409753925674273
Energy: 0.7056352031952451
Energy: 0.8190443883411448
Energy: 0.7014705348201056
Energy: 0.7937642946640858
Energy: 0.7014705348191808

minimum gb energy = 0.7014705348191808 eV
minimum distance =  2.27013132972336 Angstroms
sigma value = 113


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

Energy: 0.014457170605013303
Energy: 0.01460546839132959
Energy: 1.3827452950602117
Energy: 0.014605468390658185
Energy: 0.015108537955783919
Energy: 0.6564979079450836
Energy: 0.015108537956455323
Energy: 0.6564979079471768
Energy: 1.3542563958623561
Energy: 0.014605468390658185
Energy: 0.014457170605013303
Energy: 0.014605468390658185
Energy: 0.015108537956455323
Energy: 0.6564979079450836
Energy: 0.015108537955783919
Energy: 0.6564979079457945
Energy: 0.014457170605013303
Energy: 0.014605468390658185
Energy: 1.3827452950602117
Energy: 0.01460546839132959
Energy: 0.015108537956455323
Energy: 0.6564979079464659
Energy: 0.015108537956455323
Energy: 0.6564979079499413

minimum gb energy = 0.014457170605013303 eV
minimum distance =  2.41169469331423 Angstroms
sigma value = 1