Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334775369924
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.840204747068879e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.837449003258399e-19, 6.80889821564052e-19, 6.763748878094398e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10160131879488e-19, 5.820595558957619e-19, 5.4567732889089e-19, 4.98682283862402e-19, 4.37991832966482e-19, 3.59494790960286e-19, 2.5763320710046797e-19, 1.248188524130772e-19, -4.9476015546237e-20, -2.8005246474003e-19, -5.88123794455452e-19, -1.004680106235648e-18, -1.576142865874134e-18, -2.3742014668592397e-18, -3.51259603061526e-18, -5.1769050744817796e-18, -7.67857571434206e-18, -1.155573101625768e-17, -1.77618903821874e-17, -2.79927494962578e-17, -4.507756003291679e-17, -7.23651915925512e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01625408149469076
Energy: 0.016782263022842938
Energy: 1.1044376840673036
Energy: 0.017044070084929468
Energy: 0.017362456559197083
Energy: 1.3030389039709485
Energy: 0.01672352471053298
Energy: 0.016711649895767514
Energy: 0.20722742287453008
Energy: 0.17616716542387156
Energy: 0.1768120320921168
Energy: 0.17632740550663545
Energy: 0.2077220041912349
Energy: 0.17688800197050789
Energy: 0.17684987413604192
Energy: 0.20760080976998443
Energy: 0.1762548286435329
Energy: 0.17624665832140882
Energy: 0.17623293729307546
Energy: 0.20752869906481386
Energy: 0.17610895721330225
Energy: 0.17690684102006948
Energy: 0.17714672349898827
Energy: 0.17602783804136737
Energy: 0.17648654665667368
Energy: 0.17613339593233118
Energy: 0.20698677164538812
Energy: 0.17626783552918418
Energy: 0.1758997034148748
Energy: 0.2077022583081972
Energy: 0.17588059236875733
Energy: 0.17664408850106533
Energy: 0.17636247573473882
Energy: 0.2077295692923197
Energy: 0.17666324424100047
Energy: 0.01659686007251888
Energy: 0.20700470485976216
Energy: 0.17609425286338964
Energy: 0.017367902977315858
Energy: 0.01752931598921229
Energy: 0.30435958691283943
Energy: 0.17617947133076584

minimum gb energy = 0.01625408149469076 eV
minimum distance =  2.43893839798784 Angstroms
sigma value = 5


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

Energy: 2.0123945124635463
Energy: 1.1620648396468582
Energy: 1.268267178574596
Energy: 1.158144355492326
Energy: 1.1386729737416992
Energy: 1.0382666748888858
Energy: 1.1574577301864908
Energy: 1.0034327307668387
Energy: 1.0513757190096296
Energy: 1.103561680001963
Energy: 1.0399404033349138
Energy: 1.0728677948424972
Energy: 1.0949294108305938
Energy: 1.0629959800588178
Energy: 0.9827697046581098
Energy: 1.0580741065730181
Energy: 1.0231419818697087
Energy: 0.9806570422957696
Energy: 0.9936393760261207
Energy: 1.0252619230823516
Energy: 0.9980117194630622
Energy: 1.009638478709528
Energy: 1.028067872893968
Energy: 0.9892953899541281
Energy: 0.9672346939043245
Energy: 1.0163266862589773
Energy: 1.004204709013323
Energy: 0.9858585300241055
Energy: 0.9992291619513332
Energy: 1.0490901722423025
Energy: 1.0004414313643906
Energy: 0.9778762305088378
Energy: 0.9781053002493072
Energy: 0.9975233944117669
Energy: 1.002160172390572
Energy: 1.0430970888795765
Energy: 0.9910934020063824
Energy: 0.9896445407917622
Energy: 0.9876117211362251
Energy: 0.9784640527556508
Energy: 0.9803552876706151
Energy: 1.024913886108758
Energy: 1.0238119223754276
Energy: 0.9884825041587444
Energy: 0.978556502109137
Energy: 0.999440382843145
Energy: 0.9932707039673594
Energy: 0.9746888007418352
Energy: 1.0191996945644206
Energy: 1.027864407881885
Energy: 0.985032538147447
Energy: 0.9896670387037474
Energy: 1.077902433497508
Energy: 1.0480289206756188
Energy: 0.9783714134958783
Energy: 1.0318176629276599
Energy: 1.1059486582011195
Energy: 1.0456190694963776
Energy: 1.0433377069791523
Energy: 1.1055353637584413
Energy: 1.0479667028452602
Energy: 1.0154848709057074
Energy: 1.0396672808606267
Energy: 1.0160380790393206
Energy: 1.0138357056552414
Energy: 1.0378620731320005
Energy: 1.0942445566476615
Energy: 1.055737754677403
Energy: 1.0168918612566877
Energy: 1.0499417965401745
Energy: 0.9769374106336627
Energy: 1.0436984103360019
Energy: 1.0081078710062088
Energy: 1.0536872124739436
Energy: 1.0425019132003874
Energy: 0.9976476443079778
Energy: 1.0829724503807752
Energy: 1.0596598741390484
Energy: 0.9864497817298067
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Energy: 1.0237965839208933
Energy: 1.0776152490777415
Energy: 0.9910083712308855
Energy: 1.003047418409189
Energy: 1.0395190139962591
Energy: 1.028480158922947
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Energy: 1.0232172769745087
Energy: 1.0795499195256506
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Energy: 1.0708348774988066
Energy: 0.9628335602399629
Energy: 0.9811323002615896
Energy: 1.0251367208129623
Energy: 1.067801460376529
Energy: 0.9664579284054577
Energy: 0.9550876045582529
Energy: 0.9433314934293537
Energy: 0.9679826894338444
Energy: 0.960954247111909
Energy: 0.9377127550186004
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Energy: 0.9711728092410273
Energy: 0.9684123782054905
Energy: 0.976352288100392
Energy: 0.9672345111619582
Energy: 0.9624679175488347
Energy: 0.9457641299670846
Energy: 0.9661470249307689
Energy: 1.0226952483634386
Energy: 0.9575486632761625
Energy: 1.0990449138348521
Energy: 0.9752681669886768
Energy: 0.9617368814406497
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Energy: 0.964644934262036
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Energy: 1.0478656336769432
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Energy: 0.9923247551264796
Energy: 1.071223555644477
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Energy: 1.0990446696409573
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Energy: 1.0502216411490808
Energy: 1.0896534765546448
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Energy: 0.9889648362840158
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Energy: 1.0033027803052443
Energy: 0.9740954526831536
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Energy: 1.0337052662056796
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Energy: 1.0746882889992335
Energy: 1.0643576631680307
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Energy: 1.0338614795005114
Energy: 1.0678909004130153
Energy: 1.0081668493035916
Energy: 1.0177494751065552
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Energy: 0.9960621158997913
Energy: 0.9828207902576459
Energy: 0.9138793813458371
Energy: 0.9322934423737766
Energy: 0.9889930718056393
Energy: 0.9587953979259619
Energy: 0.9288638899863062
Energy: 0.9979455393998726
Energy: 0.9623083912956545
Energy: 0.9114664786725
Energy: 0.9335636266092114
Energy: 0.9859533326036509
Energy: 0.9527644180876459
Energy: 0.9250081044639678
Energy: 0.9960627850582847
Energy: 0.9844677890502735
Energy: 0.913938738163495
Energy: 0.9340978023572265
Energy: 1.001038572144314
Energy: 0.9600563633578897
Energy: 0.9891083573112027
Energy: 1.0775998614635671
Energy: 1.0849906719581073
Energy: 1.0513611517978143
Energy: 1.0158665766069181
Energy: 1.0563008593963477
Energy: 1.063584696507872
Energy: 1.0527901863645897
Energy: 1.0201803093964976
Energy: 1.090627070513579
Energy: 1.045785685311513
Energy: 1.0783024614765122
Energy: 1.076270828949175
Energy: 1.0492552617266522
Energy: 1.008340276885409
Energy: 1.0742830086164576
Energy: 1.0724829871078065
Energy: 1.0708698478755874
Energy: 1.0293313482894475
Energy: 1.0359407615344431
Energy: 1.0724435896785758
Energy: 1.0617482003905776
Energy: 1.0844534900532874
Energy: 1.08524839522434
Energy: 1.088853733106667
Energy: 1.0895674066722083
Energy: 1.0599611077915803
Energy: 1.072601894029338
Energy: 1.0390416688425927
Energy: 1.0642440723653976
Energy: 1.05519374011527
Energy: 0.9854149541342613
Energy: 1.0557809530919422
Energy: 1.0457142782005955
Energy: 1.1421868912096598
Energy: 1.0903574608776287
Energy: 0.941726075957869
Energy: 1.0780696360703665
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Energy: 1.0099938399829302
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Energy: 0.9824255964791044
Energy: 0.9294537999965667
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Energy: 0.9828878249001289
Energy: 0.9459689564445274
Energy: 0.9210542834902096
Energy: 0.9589992441608958
Energy: 0.9379729350057988
Energy: 0.9114795542270678
Energy: 0.9620627552248576
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Energy: 0.9264821286561494
Energy: 0.9306686207401382
Energy: 0.9803982879034907
Energy: 0.9339006752874358
Energy: 0.9223985449740889
Energy: 0.9615905989652632
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Energy: 1.022685112108459
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Energy: 0.9996486399376077
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Energy: 1.0486619305343114
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Energy: 0.9981817345505535
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Energy: 1.0266360638664302
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Energy: 1.075628650821978
Energy: 0.9697482863988943
Energy: 1.0031606812683502
Energy: 1.1469900922290548
Energy: 1.0702861259607541
Energy: 1.0535166161813234
Energy: 1.0664663638017893
Energy: 1.0702558318471007
Energy: 1.0852063054401853
Energy: 1.0029202176190628
Energy: 1.0683125790296815
Energy: 1.0752042974825131
Energy: 1.023682441611554
Energy: 1.0672127648225318
Energy: 1.0575860108302388
Energy: 1.0573663211403512
Energy: 1.0716853280299794
Energy: 1.076551010165701
Energy: 0.9694355114897042
Energy: 0.9848156468251917
Energy: 0.9666235633095377
Energy: 1.0103452428118733
Energy: 0.9659350681289793
Energy: 0.9969598799163583
Energy: 1.0152901989304017
Energy: 0.9500181031308245
Energy: 0.9748506789209092
Energy: 0.9643871777557019
Energy: 0.950740076907525
Energy: 0.9725569757494783
Energy: 1.0017893167490466
Energy: 0.9825504519464534
Energy: 0.9729055860628297
Energy: 0.9746642254372809
Energy: 0.9621944061563463
Energy: 0.944398607651981
Energy: 0.9511769234235885
Energy: 0.9773038655618859
Energy: 0.9722105878883035
Energy: 1.0255636152163639
Energy: 1.0677248241882356
Energy: 1.1156016651527332
Energy: 0.9906073161482024
Energy: 1.011138633838341
Energy: 1.0904652844257596
Energy: 1.096897790394359
Energy: 1.0465780498861283
Energy: 1.0382414401768556
Energy: 1.013370920486749
Energy: 1.0433804793481705
Energy: 1.0308429071965695
Energy: 1.0389126395589678
Energy: 0.9818047755471122
Energy: 0.9940168758781293
Energy: 1.088255591975125
Energy: 1.0001292512828281
Energy: 1.0021692237853677
Energy: 1.020854701849022
Energy: 0.9899936669783357
Energy: 1.0226998025031073
Energy: 1.0687516832121005
Energy: 1.0330350089079494
Energy: 1.1213762018640254
Energy: 0.9972814452043678
Energy: 1.0360095258605309
Energy: 1.116072357371235
Energy: 1.0426576067800228
Energy: 1.031385503778482
Energy: 0.9971294122395146
Energy: 1.0214474891371061
Energy: 0.9543306962073376
Energy: 1.0102344293116614
Energy: 1.031293305041615
Energy: 1.033278058837578

minimum gb energy = 0.9114664786725 eV
minimum distance =  2.32643207969839 Angstroms
sigma value = 401


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

Energy: 1.6977675163209882
Energy: 1.1397287758067354
Energy: 1.5269752809462387
Energy: 1.120635370483052
Energy: 1.083448439973673
Energy: 1.144728275384449
Energy: 1.0220719246397034
Energy: 1.0174731540650408
Energy: 0.9958100741684204
Energy: 1.0655872269049513
Energy: 0.9618805805019316
Energy: 0.9467894486374996
Energy: 1.0603047927948548
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Energy: 1.0789083272703157
Energy: 1.066600934367335
Energy: 1.1465883306858515
Energy: 0.9785563920738601
Energy: 1.1285263471985327
Energy: 0.9653397844781493
Energy: 0.9933975286271369
Energy: 1.050828911819594
Energy: 1.0649183689873423
Energy: 1.0966176336213618
Energy: 1.0272887090433602
Energy: 1.0475208722855749
Energy: 0.9859809677817345
Energy: 0.9596408436548742
Energy: 1.062291028989351
Energy: 1.0747980751335557
Energy: 1.153559465674532
Energy: 1.0524199008646946
Energy: 1.0515577750495329
Energy: 1.0857053457879304
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Energy: 1.0381999460022588
Energy: 1.1101158607368589
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Energy: 1.0954881823540572
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Energy: 1.0668961497092329
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Energy: 1.054143642405487
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Energy: 1.2719849625200415
Energy: 1.0645203775861014
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Energy: 1.0939692766667282
Energy: 1.1951355229900011
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Energy: 1.1735797892580555
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Energy: 0.9288574924398206
Energy: 1.0089318376447376
Energy: 1.1241920892348718
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Energy: 0.9732281886880432
Energy: 1.0909519686847908
Energy: 1.081546580972297
Energy: 0.9270471649093133
Energy: 1.0088686110920093
Energy: 1.1648113123412376
Energy: 0.9262291758798359
Energy: 0.9332203299158446
Energy: 1.3169024329141028
Energy: 1.0973019050833834
Energy: 1.1026398815220972
Energy: 1.0578224980862205
Energy: 1.0995925011398753
Energy: 1.0571842483389802
Energy: 1.0320148240747193
Energy: 1.1736925095729522
Energy: 1.062386333444681
Energy: 1.0514866441818802
Energy: 1.0846903729293254
Energy: 1.1060783161826588
Energy: 1.0499477716167296
Energy: 1.086554450503371
Energy: 1.1397547841726168
Energy: 1.0594651314453036
Energy: 1.0577520717205917
Energy: 1.0800998015902028
Energy: 1.107787307447173
Energy: 1.0636145912267116
Energy: 1.0546998783692183
Energy: 1.1555154736715472
Energy: 1.075529096199021
Energy: 1.136414165161197
Energy: 1.057099330888018
Energy: 1.0691854918853607
Energy: 1.116312775814339
Energy: 1.125957558579083
Energy: 1.0623951219069068
Energy: 1.129392789361052
Energy: 1.1587704896931583
Energy: 1.1071575705785728
Energy: 1.08921337786394
Energy: 1.13434375066703
Energy: 1.1239984196991306
Energy: 1.0623726454422262
Energy: 1.122708745227134
Energy: 1.1178178290791418
Energy: 1.0522101335261418
Energy: 1.1078551050159386
Energy: 1.1169811553768803
Energy: 1.0549234230817754
Energy: 1.0589481783259176
Energy: 1.1158290001866376
Energy: 1.0735889955839801
Energy: 1.0825895339168954
Energy: 1.0928000754921752
Energy: 1.1494146240769958
Energy: 1.0474034273699095
Energy: 1.0865940141298718
Energy: 1.1507316447974534
Energy: 1.1722504274456085
Energy: 1.10749620593727
Energy: 1.1471355491272208
Energy: 1.0488251311827648
Energy: 1.0610018433309665
Energy: 1.1132458426770493
Energy: 1.3736693049400344
Energy: 1.0406852359649494
Energy: 1.051892341362666
Energy: 1.089714477011266
Energy: 1.038849770541128
Energy: 1.0692731780718032
Energy: 1.0531242242769567
Energy: 1.1195684369784349
Energy: 1.1255656669072822
Energy: 1.0606744291305132
Energy: 1.1166219682189464
Energy: 1.1172460517721707
Energy: 1.0555527902207127
Energy: 1.058578201824561
Energy: 1.1142197397701672
Energy: 1.1670968900513914
Energy: 1.109189220670724
Energy: 1.0845929907126155
Energy: 1.143576829907132
Energy: 1.110342663021902
Energy: 1.0639257859888978
Energy: 1.0830801737655218
Energy: 1.1883988265028798
Energy: 1.0610564889730114
Energy: 1.0724771013517667
Energy: 1.1505460997622954
Energy: 1.1133287594259513
Energy: 1.0743639465056949
Energy: 1.0896645138065673
Energy: 1.0498963629246187
Energy: 1.073254343169534
Energy: 1.0296153374271635
Energy: 1.0377066405470006
Energy: 1.0436275164153315
Energy: 1.0623822909423177
Energy: 1.0158487639785798
Energy: 1.0567296771364574
Energy: 1.0749940620225344
Energy: 1.0301240982884639
Energy: 1.0130406466543773
Energy: 1.049126467531088
Energy: 1.072967428933703
Energy: 1.0143990207509952
Energy: 1.0833926524578883
Energy: 1.0244438603233008
Energy: 1.0261221975992783
Energy: 1.0358910225493905
Energy: 1.0189753536877353
Energy: 1.0216848419698081
Energy: 1.0353044084619478
Energy: 1.0761152428012442
Energy: 1.0480417651585194
Energy: 1.1227866672033389
Energy: 0.976285524652593
Energy: 0.953845870170134
Energy: 1.1941116403081038
Energy: 0.9702977486458162
Energy: 1.0704218283553892
Energy: 0.9848992624855967
Energy: 1.026452673864961
Energy: 0.9617840178241746
Energy: 0.9551799629504195
Energy: 1.1400648553256572
Energy: 1.1062119325234652
Energy: 1.117263614532636
Energy: 1.1010927543960483
Energy: 1.0623978312895974
Energy: 0.9973377316655719
Energy: 0.9977222332230427
Energy: 1.0485391882689987
Energy: 0.9640759493979302
Energy: 0.9777436731311485
Energy: 0.9485153820873111
Energy: 1.0740961903139068
Energy: 0.9297104176585226
Energy: 0.9249612476291984
Energy: 1.1250095586765587
Energy: 0.9791865622765953

minimum gb energy = 0.9249612476291984 eV
minimum distance =  2.33551989754372 Angstroms
sigma value = 311


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

Energy: 1.1146848534883853
Energy: 1.0599261165819078
Energy: 1.1168568029301187
Energy: 1.1171974008267334
Energy: 1.0215894486017134
Energy: 1.0260309888968537
Energy: 1.1333758295322907
Energy: 0.949600835145263
Energy: 0.9824993605434379
Energy: 0.96806825823982
Energy: 0.9986492844043251
Energy: 0.9969197357392283
Energy: 0.9976614030376568
Energy: 0.9789707645273291
Energy: 0.9068911209689698
Energy: 0.9106511940483185
Energy: 0.9685272767624418
Energy: 0.9700091921293352
Energy: 0.9672424842514885
Energy: 0.9667102536085397
Energy: 0.9662100534672128
Energy: 0.9813788194139276
Energy: 0.9807134520399309
Energy: 0.9903181269120546
Energy: 0.9906472120683716
Energy: 0.9726701935347332
Energy: 0.9721742989448094
Energy: 0.9862449402915674
Energy: 0.9485537961908169
Energy: 0.9565293817799323
Energy: 0.9837546533643966
Energy: 0.9896234913152414
Energy: 0.9902369407591106
Energy: 0.9779045499454583
Energy: 0.9735536108556344
Energy: 0.977704736304001
Energy: 0.9837919241913797
Energy: 0.9769496881864288
Energy: 0.9772456858608034
Energy: 0.9982512032153333
Energy: 0.9924913895463285
Energy: 0.991371188075202
Energy: 0.9903530189732563
Energy: 1.0021673561966322
Energy: 0.9941300027101047
Energy: 1.021701528651118
Energy: 1.0116476679425952
Energy: 1.0120366677237902
Energy: 1.0258345272609113
Energy: 0.9967157268527982
Energy: 0.9869678553647352
Energy: 0.986918402096047
Energy: 0.9755059034647758
Energy: 1.0091336454115722
Energy: 1.006858579530016
Energy: 1.029565900899045
Energy: 1.0702979353025586
Energy: 1.074164349400193
Energy: 1.0949714925255143
Energy: 1.0953390896501887
Energy: 1.1053098039932614
Energy: 1.092486303895813
Energy: 1.0822768472491267
Energy: 1.0691797684713231
Energy: 1.082424111067126
Energy: 0.9933660813539086
Energy: 0.9974067568675938
Energy: 1.1038081859194604
Energy: 1.0853029065003426
Energy: 1.083236779929231
Energy: 0.9949707043646571
Energy: 0.985938415577222
Energy: 0.9867661603295741
Energy: 0.9755977299149472
Energy: 1.0616433852479967
Energy: 1.0618285156218652
Energy: 0.983719283590888
Energy: 0.992001252747852
Energy: 1.0257029442657275
Energy: 1.0092924289738292
Energy: 1.0403391803723079
Energy: 1.050475577738979
Energy: 1.0301619434994393
Energy: 1.0318327273378531
Energy: 0.9916072655625605
Energy: 0.9986561069874095
Energy: 1.0306444579087275
Energy: 1.0278061894774881
Energy: 1.0355351578377863
Energy: 1.0391486536390178
Energy: 1.0391273985073959
Energy: 0.9189255197485171
Energy: 0.9115350001776756
Energy: 0.9612055383842102
Energy: 0.9645914911810182
Energy: 0.9689564510826987
Energy: 0.9116803018998436
Energy: 0.9100680875583368
Energy: 0.9648450324152879
Energy: 0.9622758883181755
Energy: 0.9715701727237738
Energy: 0.9730218749985605
Energy: 0.9759271863486806
Energy: 0.9674462143408546
Energy: 0.9915038069412905
Energy: 0.9665008288053812
Energy: 0.9665548120859949
Energy: 0.9689080283167351
Energy: 0.9803188661136933
Energy: 0.9757749428142609
Energy: 0.9752422921942044
Energy: 0.9515597463459693
Energy: 0.9167113364871503
Energy: 0.9166815988304546
Energy: 0.9701650240710357
Energy: 1.0183440790528289
Energy: 1.0165276675397716
Energy: 0.9683062134046257
Energy: 0.9842693421290983
Energy: 0.9788169091134216
Energy: 0.9809962481286892
Energy: 0.9820077840781938
Energy: 0.983627951949181
Energy: 0.9974516035842657
Energy: 1.0029496975252052
Energy: 0.9985433489787381
Energy: 0.9872698433916632
Energy: 0.9855159488303743
Energy: 0.9949784145791793
Energy: 1.000189463346549
Energy: 0.9962766429577777
Energy: 0.9964377565571191
Energy: 1.0068610015641697
Energy: 1.002819783640828
Energy: 0.9837613892818805
Energy: 0.987999157801035
Energy: 0.9941196144649939
Energy: 1.005226371124124
Energy: 1.0071064101404386
Energy: 1.0056036556000008
Energy: 1.0898578135057757
Energy: 1.0869504210871381
Energy: 0.9999417449161844
Energy: 0.9997312748387381
Energy: 1.0773296782673096
Energy: 1.0851035629260868
Energy: 1.0681704147794564
Energy: 1.0706919830533985
Energy: 1.1002481043846388
Energy: 1.1030747611305705
Energy: 1.1021966014231241
Energy: 1.112771138575799
Energy: 1.0938406228640527
Energy: 1.0966283815230624
Energy: 1.0033200755472949
Energy: 0.9892618179664008
Energy: 0.974239374765194
Energy: 0.9755159574145561
Energy: 0.9823408909646962
Energy: 1.0120556519677493
Energy: 1.0015139556543622
Energy: 0.9920376834312034
Energy: 0.997133522774321
Energy: 1.0024071028745571
Energy: 1.0677062157277244
Energy: 1.0765226105666603
Energy: 1.0391268235541833
Energy: 1.0548682208449291
Energy: 0.992577761028284
Energy: 1.0003730548270198
Energy: 1.0194849313357635
Energy: 1.006997955459774
Energy: 1.0471569959126081
Energy: 1.0391437879516718
Energy: 1.0142939475894022
Energy: 0.9115766219802381
Energy: 0.9129861463897232
Energy: 0.9066330002885923
Energy: 0.9167618532724223
Energy: 0.916741978488067
Energy: 0.9090554997145155
Energy: 0.908371225526366
Energy: 0.9937048068716425
Energy: 0.9999348165057197
Energy: 1.0061187886430345
Energy: 0.9976514448295639
Energy: 1.011871938152646
Energy: 0.9943183655910648
Energy: 0.9928808457010637
Energy: 0.9631347706710927
Energy: 0.9651778827126121
Energy: 0.9848898413451402
Energy: 0.9840344968062621
Energy: 0.9630624994763235
Energy: 0.9601669065771473
Energy: 0.9635676486924741
Energy: 0.9847943385882579
Energy: 0.9852142611738134
Energy: 0.974500231117281
Energy: 0.9942292761481873
Energy: 0.9953996422109855
Energy: 1.046226027098064
Energy: 0.972794868288231
Energy: 1.0620958682824213
Energy: 1.022292806186971
Energy: 1.0094607154691968
Energy: 1.0102142340761284
Energy: 1.0253785459504126
Energy: 0.9976629123724579
Energy: 1.0001794999229223
Energy: 0.9888862780492802
Energy: 0.9854205333376372
Energy: 0.9833796454820017
Energy: 1.0052556837531306
Energy: 0.9948158209569086
Energy: 1.0127035211821935
Energy: 1.0136779369389755
Energy: 1.0020958190933054
Energy: 0.9854221636462889
Energy: 0.9993253143755793
Energy: 1.0543267695650864
Energy: 1.0580826048204317
Energy: 1.0735223968621963
Energy: 1.0153606783681064
Energy: 1.0889224365191108
Energy: 1.0878258445223676
Energy: 1.0800451333555545
Energy: 1.0790283936910314
Energy: 0.9780062847875136
Energy: 0.9819579625178103
Energy: 0.9942331130969175
Energy: 1.1003337427177524
Energy: 1.0703815151918739
Energy: 1.070574797743671
Energy: 1.0747636406754173
Energy: 1.116660936020575
Energy: 1.0930250324386526
Energy: 1.1011705863025858
Energy: 0.9942091244261566
Energy: 0.9836619159222295
Energy: 1.006930090059061
Energy: 1.0106360623153885
Energy: 1.0083987162972101
Energy: 1.0074571194179112
Energy: 1.0041079860316937
Energy: 0.9999998490884532
Energy: 0.9998317273327141
Energy: 1.009053749075874
Energy: 1.0265240359623364
Energy: 1.0265713840603679
Energy: 1.0265821543798452
Energy: 1.0329394887612493

minimum gb energy = 0.9066330002885923 eV
minimum distance =  2.31724730670662 Angstroms
sigma value = 39


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

Energy: 1.1709417763565928
Energy: 1.0898855307021782
Energy: 1.0887107821281123
Energy: 1.1693486255017382
Energy: 1.165084203752629
Energy: 1.2837335896223443
Energy: 1.1241538551299275
Energy: 1.0626234703667732
Energy: 0.9332140613571211
Energy: 1.0224098262530297
Energy: 1.0962393834479887
Energy: 1.0296857916361315
Energy: 0.9918665327362639
Energy: 1.0570850873659965
Energy: 1.1004026451657731
Energy: 0.9333920605477114
Energy: 1.0471815195002918
Energy: 1.0728460330802543
Energy: 0.9719865763002888
Energy: 1.0045643293407385
Energy: 1.0511984449304148
Energy: 1.0072606146923213
Energy: 0.9464186541771371
Energy: 1.0364815725449568
Energy: 1.0450095900654393
Energy: 0.8906171939750734
Energy: 0.8903318305774298
Energy: 1.0711705293611096
Energy: 1.0424317461833952
Energy: 0.9778183809869625
Energy: 0.9791471728452317
Energy: 0.9790043483460512
Energy: 0.9935729036050518
Energy: 1.0241800301177544
Energy: 1.0040631980735983
Energy: 1.0464158612579835
Energy: 0.9780263401450128
Energy: 1.0256640727298847
Energy: 1.0037748355189213
Energy: 0.9315538912455636
Energy: 0.9682505269288284
Energy: 0.9671095183206806
Energy: 1.0306254598145739
Energy: 0.9593469667848888
Energy: 0.9851372189523581
Energy: 1.0621170960537274
Energy: 0.967094430868177
Energy: 0.9795399036313676
Energy: 0.9812361850440434
Energy: 1.0538579277300906
Energy: 0.9632513948465482
Energy: 1.002801500023075
Energy: 1.014401430110466
Energy: 1.0506228398314497
Energy: 0.9902232467519423
Energy: 1.026727357339756
Energy: 1.0264560190228154
Energy: 1.0761695086853824
Energy: 1.0970189625779432
Energy: 1.0361884453296464
Energy: 1.0264532059422296
Energy: 1.077960723818194
Energy: 1.0340808374400319
Energy: 1.1060252953711025
Energy: 1.0773646989099561
Energy: 1.1548103759245787
Energy: 1.11797818754621
Energy: 1.0731456727557784
Energy: 1.100406540014817
Energy: 1.0655533480682011
Energy: 1.0502732394659837
Energy: 1.0266577623758566
Energy: 1.1452392981202846
Energy: 1.0798116443012145
Energy: 1.0524073604591448
Energy: 1.1327320511878995
Energy: 1.0339438808849661
Energy: 1.0695185257570825
Energy: 0.9470101958152144
Energy: 1.0339314811410685
Energy: 1.081214850829687
Energy: 0.9512981524100221
Energy: 1.0363575834131205
Energy: 1.0793741958938636
Energy: 1.0855103410201379
Energy: 1.122162550628355
Energy: 1.1645049517868862
Energy: 1.1483690828483013
Energy: 1.1430910505550298
Energy: 1.0346280005886181
Energy: 1.1746341614894058
Energy: 1.0998745551320914
Energy: 0.9523055361646399
Energy: 1.0415673629011655
Energy: 1.086754376812796
Energy: 1.0635207853442468
Energy: 1.0163455048037648
Energy: 1.1001631973040693
Energy: 1.0625930067282263
Energy: 1.0317616971406343
Energy: 1.1367782244956743
Energy: 1.0942880787283755
Energy: 1.0301907460116877
Energy: 1.0419820985459731
Energy: 1.0379883150874067
Energy: 1.1673915571983564
Energy: 1.046913822502363
Energy: 1.0960310322758613
Energy: 1.1541683314447786
Energy: 1.153689298206796
Energy: 1.084981331924127
Energy: 1.0319373855103806
Energy: 1.0980952062141702
Energy: 0.9450862035384383
Energy: 1.1075015569428415
Energy: 1.0964766983318741
Energy: 1.0298475196497419
Energy: 0.9783187780606802
Energy: 1.057361776500262
Energy: 1.1005112348339516
Energy: 0.9332248223267334
Energy: 1.0474437208856666
Energy: 1.0725375083965538
Energy: 0.9614542091719005
Energy: 1.005046750655115
Energy: 1.0515403352380595
Energy: 1.0093896676433145
Energy: 0.9471760694986623
Energy: 1.0525678169004888
Energy: 1.0448821941411894
Energy: 0.8906961388842913
Energy: 0.8904605406843521
Energy: 1.0651692143224714
Energy: 1.0890489405756227
Energy: 0.9777469664790509
Energy: 0.9791264431508816
Energy: 0.9789966986755798
Energy: 0.993035440781875
Energy: 1.0243177160895365
Energy: 1.0040573511039113
Energy: 1.046064953319923
Energy: 0.9779770206558779
Energy: 1.0254313757685913
Energy: 1.0160305102975735
Energy: 0.9313446276834261
Energy: 0.968309929767387
Energy: 1.0253997967808353
Energy: 1.0298975710686353
Energy: 0.9595056722931387
Energy: 0.9847010928774226
Energy: 1.061665792821544
Energy: 0.9671923315955807
Energy: 0.979457911563618
Energy: 0.9822255694362553
Energy: 1.0537103192040826
Energy: 0.9628427337115987
Energy: 1.0033703382193437
Energy: 1.0148324893766045
Energy: 1.0505884135100523
Energy: 1.0009377793334426
Energy: 1.0321167382174508
Energy: 1.0259726278707462
Energy: 1.075930404760255
Energy: 1.1004736652103972
Energy: 1.0360119691814949
Energy: 1.0258854316833943
Energy: 1.0860178513086178
Energy: 1.025553372353996
Energy: 1.1055985850359031
Energy: 1.0745106200942134
Energy: 1.1546929168352944
Energy: 1.121602205896069
Energy: 1.028395214522773
Energy: 1.0994247279719718
Energy: 1.0648109994057342
Energy: 1.0502503366729723
Energy: 1.0261199918430228
Energy: 1.0179701817495685
Energy: 1.0847490787575325
Energy: 1.0524808704161892
Energy: 1.1330321609696306
Energy: 1.052445946499964
Energy: 1.0716602573423364
Energy: 0.9462293576228439
Energy: 1.0349605207148305
Energy: 1.0799468392595706
Energy: 0.9508374444294155
Energy: 1.0360745408011443
Energy: 1.137942273022092
Energy: 1.098441232310474
Energy: 1.0932408841614756
Energy: 1.1621720062526086
Energy: 1.1482697926458947
Energy: 1.1400361860479413
Energy: 1.0194502221092512
Energy: 1.161383858168553
Energy: 1.099473698864872
Energy: 0.951943325397165
Energy: 1.0265913227866879
Energy: 1.0867495277541739
Energy: 1.0639319194038512
Energy: 1.0163408532493843
Energy: 1.100016077574493
Energy: 1.0623616935581053
Energy: 1.030463474861345
Energy: 1.1305572253382368
Energy: 1.0948537164758776
Energy: 1.029874055898641
Energy: 1.0411429326026769
Energy: 1.0396423120020102

minimum gb energy = 0.8903318305774298 eV
minimum distance =  2.28367452437191 Angstroms
sigma value = 21


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

Energy: 1.3834786148564213
Energy: 0.9689153006151555
Energy: 0.8837612290736028
Energy: 1.0643853716232066
Energy: 1.0394075321156448
Energy: 1.0024099713420385
Energy: 0.9558892086290335
Energy: 0.8707322720230677
Energy: 1.0118030288391018
Energy: 0.9860674605215678
Energy: 1.0726628745152984
Energy: 0.9646643382315309
Energy: 0.9075852912412903
Energy: 0.9996228478952793
Energy: 1.0178538351444815
Energy: 0.9517451567576355
Energy: 0.9738338796633836
Energy: 0.8796044000942485
Energy: 0.8935661969148405
Energy: 0.9597161454203226
Energy: 0.859293107632744
Energy: 0.9783922003448158
Energy: 0.8543886943059275
Energy: 0.8759579546709848
Energy: 1.0247709832792264
Energy: 0.8548955159985823
Energy: 0.8756350360207447
Energy: 0.9438734213022296
Energy: 0.8701904034170753
Energy: 0.858178829347868
Energy: 0.9292034528590424
Energy: 0.8673920434159489
Energy: 0.906993840844432
Energy: 0.8756212745025773
Energy: 0.8682404910933281
Energy: 0.8728886065878596
Energy: 0.914052729172114
Energy: 0.8792878994079487
Energy: 0.9838082757936595
Energy: 0.9310503150872749
Energy: 0.9139371713731438
Energy: 0.9307993850298036
Energy: 0.8522098302853462
Energy: 0.8978815689586429
Energy: 0.8466609261389112
Energy: 0.8633692379767036
Energy: 0.8534796062105834
Energy: 0.8666226265723426
Energy: 0.8983866952175918
Energy: 0.8549609305029879
Energy: 0.8520714167603087
Energy: 0.9008484151724874
Energy: 0.8580393332422536
Energy: 0.8544043252593333
Energy: 0.9178316284036556
Energy: 0.808257746187713
Energy: 0.8623175322094884
Energy: 0.84251122727962
Energy: 0.8775432506809115
Energy: 0.8356031636983342
Energy: 0.8538495112022678
Energy: 0.8938422532030318
Energy: 0.890523341336692
Energy: 0.8036358384088107
Energy: 0.7976181716433209
Energy: 0.8301815649022221
Energy: 0.84639650781239
Energy: 0.7976393196311257
Energy: 0.885720171696466
Energy: 0.8464044925534235
Energy: 0.8434504896252686
Energy: 0.8357056414219414
Energy: 0.8776906899607656
Energy: 0.8520413445424908
Energy: 0.8772303032024343
Energy: 0.841720391844611
Energy: 0.8342885651933981
Energy: 0.8377469881421462
Energy: 0.8219201139288297
Energy: 0.8665794402474009
Energy: 0.8499121204911544
Energy: 0.8709737659692447
Energy: 0.8664601525040202
Energy: 0.8487225674305675
Energy: 0.8648337607923463
Energy: 0.8266116909432566
Energy: 0.7977022039185768
Energy: 0.859195954645801
Energy: 0.8298225147873607
Energy: 0.8192254836411201
Energy: 0.8470337269932454
Energy: 0.897406428806141
Energy: 0.8103969800292903
Energy: 0.801617591361844
Energy: 0.8238408128003298
Energy: 0.8906755278425961
Energy: 0.7976090752893155
Energy: 0.8293979459008265
Energy: 0.9011055805690331
Energy: 0.8357715832598255
Energy: 0.854688429292751
Energy: 0.8378844405894588
Energy: 0.9034224393554686
Energy: 0.8525969051742104
Energy: 0.8585019166098111
Energy: 0.9169052045151118
Energy: 0.8806958367584844
Energy: 0.8540765585902447
Energy: 0.9548383618248882
Energy: 0.8671233243931042
Energy: 0.8968673817169238
Energy: 0.8695838722240846
Energy: 0.9156349292549765
Energy: 0.8813246883512159
Energy: 0.8545062269326219
Energy: 0.8910588517835183
Energy: 0.8681535669486145
Energy: 0.9158854445492478
Energy: 0.8599846708008871
Energy: 0.9434471413156286
Energy: 0.9041577582408101
Energy: 0.8803038517779719
Energy: 0.8672843802534285
Energy: 0.9090586081478955
Energy: 0.908847961494913
Energy: 0.909988705969858
Energy: 0.9030717557939921
Energy: 0.8776890145041426
Energy: 0.8420562329457865
Energy: 0.867959291448991
Energy: 0.8756730897405517
Energy: 0.8586760038987584
Energy: 0.9181134691461872
Energy: 0.8955963464191347
Energy: 0.9573369316986636
Energy: 0.8822923376975023
Energy: 0.8673432678180524
Energy: 0.9546777524075256
Energy: 0.9163852343383373
Energy: 0.8679170670279532
Energy: 0.9426800113722916
Energy: 0.968537116451578
Energy: 0.9302172072610848
Energy: 0.9277183607994328
Energy: 0.8938042264507181
Energy: 0.9506890318706531
Energy: 0.9899693488884628
Energy: 0.9779646349864803
Energy: 0.8543325088154904
Energy: 0.9407758266119269
Energy: 0.8745156299473341
Energy: 0.9000822655759851
Energy: 0.9035577674192237
Energy: 0.8583875983622731
Energy: 0.9401447507714202
Energy: 0.8723550796899168
Energy: 0.9327599614686806
Energy: 0.8743727213153574
Energy: 0.8735292929371564
Energy: 0.9295722563924493
Energy: 0.8603025582046533
Energy: 0.9896630929645845
Energy: 1.0110653516780117
Energy: 0.9507612953168347
Energy: 1.061572676820908
Energy: 0.9075807870162841
Energy: 0.9990405983947646
Energy: 0.9907540114522372
Energy: 0.8708012885620096
Energy: 1.0000893394188635
Energy: 0.9483946255946817
Energy: 0.885424012759751
Energy: 0.8717300768758202
Energy: 0.9410234062148701
Energy: 0.9390729879710547

minimum gb energy = 0.7976090752893155 eV
minimum distance =  2.3219055630444 Angstroms
sigma value = 113


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

Energy: 1.4233813480053705
Energy: 0.7902600364660417
Energy: 0.8885417790590288
Energy: 0.9968794974266311
Energy: 0.9975309774691552
Energy: 0.8495680538138257
Energy: 0.8829344894261894
Energy: 0.824780114623598
Energy: 0.8192200020919307
Energy: 0.8355234528702064
Energy: 0.8222756917072082
Energy: 0.8774524844726397
Energy: 0.8076858260978649
Energy: 0.8087641416036363
Energy: 0.7974900574096595
Energy: 0.8374759458194128
Energy: 0.8774484832124672
Energy: 0.805265127369727
Energy: 0.7950121406845552
Energy: 0.8161852780467759
Energy: 0.8116108250004046
Energy: 0.785838385359434
Energy: 0.8191550939895763
Energy: 0.8162717615025153
Energy: 0.7715345100508438
Energy: 0.7973779610249371
Energy: 0.8160822647973814
Energy: 0.911455761120616
Energy: 0.7666901150537813
Energy: 0.8159338458929065
Energy: 0.7979987829821613
Energy: 0.8203841427812367
Energy: 0.8147256930502804
Energy: 0.8137349795571935
Energy: 0.8178577007604737
Energy: 0.78926740829694
Energy: 0.8395075583679991
Energy: 0.7938724596791487
Energy: 0.7908550017066874
Energy: 0.7847290930196322
Energy: 0.8308122194614661
Energy: 0.8053956874166497
Energy: 0.7771955651792385
Energy: 0.9366921983093573
Energy: 0.8172281638308678
Energy: 0.8011225231293696
Energy: 0.7900765900789647
Energy: 0.8437789266306939
Energy: 0.8371748810950598
Energy: 0.7780006211629692
Energy: 0.7779410009710215
Energy: 0.7982116991163575
Energy: 0.770938635662837
Energy: 0.7893743409214727
Energy: 0.7945519086168386
Energy: 0.7704277015505556
Energy: 0.7886508773154327
Energy: 0.8041472772417175
Energy: 0.7700573057007631
Energy: 0.7824934415750521
Energy: 0.7860672314235807
Energy: 0.7719241297871833
Energy: 0.7952070925464982
Energy: 0.7719524816826039
Energy: 0.7893474435970586
Energy: 0.7555824466464603
Energy: 0.7906035455965928
Energy: 0.7780691887256661
Energy: 0.7752388684042418
Energy: 0.7767635272318926
Energy: 0.7798900777869996
Energy: 0.7555212536767213
Energy: 0.7440094160566822
Energy: 0.7730762618746929
Energy: 0.7728619126977873
Energy: 0.7479266721915104
Energy: 0.75083136564582
Energy: 0.8151383379049607
Energy: 0.7532869492520444
Energy: 0.7548506420570009
Energy: 0.7928300323407299
Energy: 0.814357673247272
Energy: 0.7581049629591552
Energy: 0.7529788089129891
Energy: 0.8085279818452763
Energy: 0.7425560953424133
Energy: 0.7263435099078982
Energy: 0.7346640702333385
Energy: 0.7496682175014038
Energy: 0.7281557426839913
Energy: 0.7383326194968318
Energy: 0.7748557600198485
Energy: 0.7098972255447158
Energy: 0.7258732407695492
Energy: 0.7303265823048996
Energy: 0.7425631871667316
Energy: 0.7089506449638253
Energy: 0.7193099145422974
Energy: 0.729925070462065
Energy: 0.7531731611363615
Energy: 0.7512535280995061
Energy: 0.7520545037065869
Energy: 0.7493646480383019
Energy: 0.7548007440485696
Energy: 0.7480148239062215
Energy: 0.7338027338912748
Energy: 0.7223655172517578
Energy: 0.7206904756066975
Energy: 0.7211450466317708
Energy: 0.705419655641365
Energy: 0.7253124117712352
Energy: 0.7276289994052271
Energy: 0.7254345935032839
Energy: 0.7445660316497613
Energy: 0.7444262364262211
Energy: 0.7079167749499468
Energy: 0.7046726755388398
Energy: 0.7239414289052822
Energy: 0.742084536557094
Energy: 0.7450341609420847
Energy: 0.7114010836690243
Energy: 0.7288226999270768
Energy: 0.717960799333443
Energy: 0.7135668674672047
Energy: 0.7538892173323736
Energy: 0.7083963728874415
Energy: 0.7381107188207194
Energy: 0.7379943424713962
Energy: 0.7726865896857015
Energy: 0.7379840994334975
Energy: 0.7361663136084008
Energy: 0.7425611990688301
Energy: 0.7533132434064068
Energy: 0.718487292648268
Energy: 0.697894193907608
Energy: 0.7205375040260567
Energy: 0.7335117197296841
Energy: 0.6883851103770617
Energy: 0.7053492779477435
Energy: 0.7148635866044523
Energy: 0.734819123148566
Energy: 0.7290241713645492
Energy: 0.7045773782273276
Energy: 0.7359827657327556
Energy: 0.7224600519861017
Energy: 0.7029790429404095
Energy: 0.7460013759091704
Energy: 0.7528718318559473
Energy: 0.7425151313515703
Energy: 0.7139792862080936
Energy: 0.7288816669295436
Energy: 0.6991339381296756
Energy: 0.7387071957735177
Energy: 0.7316326282418913
Energy: 0.7193859250830321
Energy: 0.7219330545350644
Energy: 0.6881762289610244
Energy: 0.7284695128708466
Energy: 0.721263973751948
Energy: 0.6891848969675155
Energy: 0.6933658069201922
Energy: 0.742738963909149
Energy: 0.7607297988547178
Energy: 0.7278650493869648
Energy: 0.7614441131720541
Energy: 0.7378504921998326
Energy: 0.7147976434492748
Energy: 0.7325867971145751
Energy: 0.7106483600134609
Energy: 0.7746676214926211
Energy: 0.7145364173322825
Energy: 0.7360418189759468
Energy: 0.7274405743986625
Energy: 0.71251477176306
Energy: 0.7459850704540079
Energy: 0.7458207682008168
Energy: 0.7259114352550204
Energy: 0.6960804820365997
Energy: 0.7798822186521795
Energy: 0.7243785808426989
Energy: 0.739143138235032
Energy: 0.7081909976148095
Energy: 0.7465994804687541
Energy: 0.7536101640091243
Energy: 0.7137850200415905
Energy: 0.7068082719944647
Energy: 0.7388636785287016
Energy: 0.716419077749318
Energy: 0.732416762007742
Energy: 0.7597792287913963
Energy: 0.7665153167974246
Energy: 0.7524622134139685
Energy: 0.750327415340556
Energy: 0.7534085870992739
Energy: 0.7510224927520192
Energy: 0.7341024018977145
Energy: 0.7328371296463795
Energy: 0.7267897927570762
Energy: 0.7861334917001082
Energy: 0.7227740779669888
Energy: 0.7259380627723501
Energy: 0.7394483437995059
Energy: 0.773362307850811
Energy: 0.7520657217851359
Energy: 0.7451994195189172
Energy: 0.7451045202489243
Energy: 0.7318624697049468
Energy: 0.7262634765494101
Energy: 0.7513260573612321
Energy: 0.781397692230433
Energy: 0.7524606443860917
Energy: 0.7551602556649553
Energy: 0.8158955329672707
Energy: 0.7913556294703274
Energy: 0.7543036252164302
Energy: 0.7766495277098009
Energy: 0.7965917656434349
Energy: 0.7533485239680843
Energy: 0.7594753034010877
Energy: 0.7729568316594462
Energy: 0.7799859344975397
Energy: 0.7519499874209515
Energy: 0.7495061621858443
Energy: 0.7730672222594858
Energy: 0.7744437533623472
Energy: 0.7789396086924947
Energy: 0.7781242686224347
Energy: 0.789618899532791
Energy: 0.757088308964525
Energy: 0.7806206285185092
Energy: 0.7932578962049354
Energy: 0.7971181730935859
Energy: 0.7915967119805682
Energy: 0.7994081595310553
Energy: 0.8078359707316537
Energy: 0.8888920382521138
Energy: 0.7897665899058204
Energy: 0.7937517541169189
Energy: 0.771922827634079
Energy: 0.792298049898105
Energy: 0.7908069650644247
Energy: 0.7703344131655708
Energy: 0.8051260837014157
Energy: 0.7897355189438473
Energy: 0.7894304885588174
Energy: 0.78558892915689
Energy: 0.835654525801877
Energy: 0.7926997815248937
Energy: 0.7707120281133282
Energy: 0.8090569914173948
Energy: 0.7967976160391937
Energy: 0.7923381478227792
Energy: 0.7902223749902438
Energy: 0.8321663314401648
Energy: 0.7837494257886911
Energy: 0.8029318783816657
Energy: 0.7889247695506707
Energy: 0.821356556684588
Energy: 0.7971010253445779
Energy: 0.8139055481707741
Energy: 0.8108537472268218
Energy: 0.8025828825378896
Energy: 0.81826269686153
Energy: 0.8138669171553157
Energy: 0.8175456970283513
Energy: 0.7981255754155636
Energy: 0.816041898667749
Energy: 0.919876310103356
Energy: 0.7882647112498401
Energy: 0.7964410355056677
Energy: 0.8153475608782648
Energy: 0.79113201950696
Energy: 0.7907082054917625
Energy: 0.8236844821168767
Energy: 0.8236667839955957
Energy: 0.7824179584786705
Energy: 0.8116899930551794
Energy: 0.8915316491489851
Energy: 0.8183225047416792
Energy: 0.8015910276397766
Energy: 0.8225650525763127
Energy: 0.81714177840751
Energy: 0.8839435134969821
Energy: 0.8137355905320002
Energy: 0.8064551166344917
Energy: 0.7998883771228764
Energy: 0.8264116591513884
Energy: 0.7862291045081666
Energy: 0.8087141826315677
Energy: 0.8237707424766455
Energy: 0.7897827833166727
Energy: 0.7973678441248029
Energy: 0.7983614386966886
Energy: 1.004686282380675
Energy: 0.8406920910273217
Energy: 0.8182899760831618
Energy: 0.882319356561797
Energy: 0.8209042274469993
Energy: 0.790625525947164
Energy: 0.8810086809674402
Energy: 0.81091705215976
Energy: 0.8255576028157801
Energy: 0.820181736274324
Energy: 0.7698653551248826
Energy: 0.8169408906987643
Energy: 0.8328750290458341
Energy: 0.8091698698051489
Energy: 0.8074050314440379
Energy: 0.8241646636759898
Energy: 0.810373671268373
Energy: 0.8067996094816048
Energy: 0.816230663117855
Energy: 0.8148102775280692
Energy: 0.785896220832624
Energy: 0.7841471906276826

minimum gb energy = 0.6881762289610244 eV
minimum distance =  2.32495815126005 Angstroms
sigma value = 365


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

Energy: 0.9103458970867851
Energy: 0.7878845818657223
Energy: 0.7892267014294778
Energy: 0.7975889319010736
Energy: 0.7970392183997155
Energy: 0.789607253776868
Energy: 0.7878548817949355
Energy: 0.8413770762897687
Energy: 0.2935134496435164
Energy: 0.28907937752291646
Energy: 0.2846611418868129
Energy: 0.28367367857861714
Energy: 0.28541933480901793
Energy: 0.2907099498356262
Energy: 0.3079196065419824
Energy: 0.29232458826121377
Energy: 0.2923081638776739
Energy: 0.2861255732225554
Energy: 0.2856182284443757
Energy: 0.2902051981979546
Energy: 0.29430003436524826
Energy: 0.8415622044046586
Energy: 0.8432713444842532
Energy: 0.7891594272432279
Energy: 0.7988862639929407
Energy: 0.8014452613506527
Energy: 0.7990644256908164
Energy: 0.7887334279994223
Energy: 0.8416789252158056
Energy: 0.8419742380239575
Energy: 0.8439473843580158
Energy: 0.8434569134470955
Energy: 0.8002018137874695
Energy: 0.8473087817616403
Energy: 0.8461041402440984
Energy: 0.30767040134171075
Energy: 0.29424243833313474
Energy: 0.295487811501501
Energy: 0.30113674592087036
Energy: 0.3012581159982908
Energy: 0.2996038755223321
Energy: 0.29370510323807203
Energy: 0.841246898550205
Energy: 0.8440157561150735
Energy: 0.7964603436774872
Energy: 0.7993961225901752
Energy: 0.8006626872163265
Energy: 0.7990322737161519
Energy: 0.8440772785173618
Energy: 0.8416720255690225
Energy: 0.8411478622924908
Energy: 0.7986508064341031
Energy: 0.7993509916706627
Energy: 0.800531022973781
Energy: 0.7988844824305887
Energy: 0.8457066391681206
Energy: 0.3075867692274032
Energy: 0.2932083637200869
Energy: 0.29542605627906504
Energy: 0.29656292271493817
Energy: 0.29710867692211695
Energy: 0.29573310684470283
Energy: 0.2943561149880089
Energy: 0.841466898527135
Energy: 0.8428143338239055
Energy: 0.8460682893822994
Energy: 0.850288019536982
Energy: 0.8436145900887727
Energy: 0.8433460145806272
Energy: 0.8435395771534092
Energy: 0.8423435614807161
Energy: 0.8407500550090079
Energy: 0.7890029589868679
Energy: 0.7989410412843229
Energy: 0.8013746650356918
Energy: 0.7984628623463355
Energy: 0.7882159991037779
Energy: 0.30789522768768024
Energy: 0.29362757301541853
Energy: 0.29016895185425295
Energy: 0.28474765248270384
Energy: 0.28417668458160633
Energy: 0.2880373411042476
Energy: 0.29294477875383773
Energy: 0.30743888536178454
Energy: 0.29270007058143577
Energy: 0.28631719977845005
Energy: 0.28361795032616155
Energy: 0.28360970749330827
Energy: 0.28370214522668946
Energy: 0.29112176251234445
Energy: 0.8423682604085191
Energy: 0.8425869400113222
Energy: 0.7887386504798889
Energy: 0.7998469937899775
Energy: 0.8009183355409331
Energy: 0.789672944037756
Energy: 0.7881924038295911
Energy: 0.8412273220113533
Energy: 0.8425743670112099
Energy: 0.8432582971558138
Energy: 0.2843214005651532
Energy: 0.2827749683508656
Energy: 0.2864306206839221
Energy: 0.8440950909106221
Energy: 0.30789423039885294
Energy: 0.291932355812287
Energy: 0.29392154438206297
Energy: 0.2895431872112125
Energy: 0.2861712089889118
Energy: 0.2923282034643
Energy: 0.2942079610737174
Energy: 0.8412657179970682
Energy: 0.8435731922975762
Energy: 0.7893338026332849
Energy: 0.7988174747632159
Energy: 0.800122855627223
Energy: 0.7989488203109452
Energy: 0.7886521359976202
Energy: 0.8418723617513977
Energy: 0.8419209380387715
Energy: 0.8443761105476536
Energy: 0.8005174419350947
Energy: 0.8003496745252074
Energy: 0.8439941315960626
Energy: 0.8450672958140795
Energy: 0.3075788269733596
Energy: 0.2947700251877136
Energy: 0.2953604846066566
Energy: 0.30412993820163414
Energy: 0.30534027558364357
Energy: 0.30257924935259195
Energy: 0.29528343149410197
Energy: 0.8418929899874422
Energy: 0.8443559688043641
Energy: 0.8445227246354231
Energy: 0.799206061933085
Energy: 0.8006360412988605
Energy: 0.7990813771535854
Energy: 0.8449115685791476

minimum gb energy = 0.2827749683508656 eV
minimum distance =  2.39297164917864 Angstroms
sigma value = 23