Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403441309929
cohesive_energy=3.892708434526503
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.72870491344212e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.253886753967679e-17, -1.463338415604096e-16, -2.7431026368377396e-16]
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: 0.014659928147067337
Energy: -5.461520073766421
Energy: -4.2308132544916734
Energy: -5.459584182777875
Energy: -5.386562193425873
Energy: 1.091172977607396
Energy: -5.371243916652678
Energy: 1.0911729760859012
Energy: -4.299611092155865
Energy: -5.390975624290965
Energy: 0.014659928147067337
Energy: 0.015200214205018294
Energy: -5.423384331721328
Energy: 1.091172977519411
Energy: 0.015200214205018294
Energy: 1.0911729767855936

minimum gb energy = -5.461520073766421 eV
minimum distance =  2.51459413614911 Angstroms
sigma value = 1


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

Energy: 0.3360324429951315
Energy: 0.1477909492946433
Energy: -5.086393412157715
Energy: 0.1477908882800199
Energy: -0.11935151541656652
Energy: 0.1366644895576836
Energy: 0.21202361359077695
Energy: 0.13666448955694085
Energy: 0.07498317092811103
Energy: -0.31343317941710747
Energy: 0.15870898535366967
Energy: -0.3134331794259866
Energy: 0.07987212175569758
Energy: 0.21385595148126899
Energy: 0.21093190757575672
Energy: 0.2138559505718229
Energy: 0.20321366208736028
Energy: 0.3255230560374398
Energy: -0.06639872433966225
Energy: 0.3255230560366971
Energy: 0.12582369042063601
Energy: 0.2284661554672188
Energy: 0.07916102123544608
Energy: 0.22846615746504279
Energy: 0.02036493232834868
Energy: 0.4989345888076612
Energy: 0.17735429864700586
Energy: 0.4989345887868646
Energy: 0.15451577160369234
Energy: 0.4330172076442379
Energy: 0.09465562761383872
Energy: 0.4330172069604821
Energy: 0.031877089965463595
Energy: 0.5340140473041384
Energy: 0.0020509540650949
Energy: 0.5340140476144668
Energy: 0.06738188958334146
Energy: 0.5483262102403285
Energy: -0.019882562839012772
Energy: 0.5483262101571758
Energy: 0.061767655626920555
Energy: 0.6631905788545955
Energy: 0.014125278654224069
Energy: 0.6631905788553383
Energy: -0.000614469728732372
Energy: 0.05212632388929946
Energy: -0.07174550172638666
Energy: 0.05212635577862284
Energy: -0.08088628781608585
Energy: 0.5671680138832716
Energy: 0.23147614753747617
Energy: 0.5671680138810435
Energy: 0.2313581766494409
Energy: -0.1737422937317476
Energy: 0.2665600180128888
Energy: -0.17374228954606058
Energy: 0.30516995334915087
Energy: 0.33042348024623747
Energy: 0.04586445165949237
Energy: 0.3304234802454947
Energy: 0.18955286902052454
Energy: 0.25943270367093074
Energy: 0.22394259646009046
Energy: 0.2594327558746831
Energy: 0.17325677684550933
Energy: -0.2943992195008151
Energy: 0.2051273812744713
Energy: -0.29439921949784414
Energy: 0.2268923718273704
Energy: -0.28543749517449457
Energy: 0.15200807972691915
Energy: -0.28543749517300915
Energy: 0.2611130816556185
Energy: -0.3524654010405951
Energy: 0.07643675772990723
Energy: -0.3524654010420806
Energy: 0.06949871862511546
Energy: -4.542608669230699
Energy: 0.0755262964427243
Energy: -4.479615367141289
Energy: -0.05055657272660341
Energy: 0.2866718391724274
Energy: 0.20176901187086324
Energy: 0.286670529863087
Energy: 0.04475332098131249
Energy: 0.3355989726349427
Energy: 0.24247574605003785
Energy: 0.3355989726334572
Energy: 0.1779686324386981
Energy: 0.5237514720138919
Energy: 0.011870565048191383
Energy: 0.52375147201612
Energy: 0.11088541896675644
Energy: -0.12223402327473097
Energy: 0.01116686169813409
Energy: -0.12223392062075772
Energy: -0.03710649314323779
Energy: 0.6114681806560858
Energy: 0.022812630487268087
Energy: 0.6114681806575711
Energy: 0.048924227751470976
Energy: 0.03194968485314722
Energy: 0.09308005423220908
Energy: 0.031949624733115245
Energy: 0.0017157779615243828
Energy: 0.665254866796428
Energy: 0.06478079403311608
Energy: 0.665254866796428
Energy: -0.06860047853447705
Energy: 0.03407565663042921
Energy: 0.10616148637058341
Energy: 0.034074919480003886
Energy: 0.29517633403567367
Energy: 0.5875770978229798
Energy: -0.08047996521916256
Energy: 0.5875770978244316
Energy: 0.28193072918752615
Energy: 0.0890541508703119
Energy: 0.23640103563403253
Energy: 0.08626782525345938
Energy: 0.026282468013845043
Energy: 0.33161179002280167
Energy: 0.30374497868669886
Energy: 0.33161179002428715
Energy: 0.2256796341365393
Energy: 0.3446902267833648
Energy: 0.18952935066569201
Energy: 0.3446902267402861
Energy: 0.20634277414224464
Energy: -0.31990754484439005
Energy: -0.03601509291631879
Energy: -0.3199075450552257

minimum gb energy = -5.086393412157715 eV
minimum distance =  2.29555328697519 Angstroms
sigma value = 1


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

Energy: 0.35063590238320846
Energy: 0.18108438254664763
Energy: 0.275852640823589
Energy: 0.18108438579031025
Energy: 0.04185150839590281
Energy: 0.24736071782357597
Energy: -0.019274903469246152
Energy: 0.247360717817648
Energy: 0.10393646634630177
Energy: 0.052780701631740284
Energy: 0.2705003183711997
Energy: 0.052780701632587135
Energy: 0.1583084692151217
Energy: 0.36003196857333947
Energy: -0.017893088225192744
Energy: 0.3600319685741864
Energy: 0.22739446611669742
Energy: 0.4190081985981694
Energy: 0.27615080397703984
Energy: 0.4190081985693766
Energy: 0.2755573626575323
Energy: 0.4205916310031749
Energy: 0.2992385053178121
Energy: 0.4205916233019302
Energy: 0.22763487395426601
Energy: 0.6303040657147848
Energy: 0.26241606288799035
Energy: 0.6303040657122442
Energy: 0.20519300264016282
Energy: 0.5775163269673833
Energy: 0.16823556461839373
Energy: 0.5775163270520297
Energy: 0.04431798116784096
Energy: 0.7269080407731688
Energy: 0.17473333590516563
Energy: 0.7269080407731688
Energy: 0.23711541442539527
Energy: 0.7168569111618756
Energy: 0.16231134275013698
Energy: 0.7168569111610287
Energy: 0.35440955901439364
Energy: 0.6455368359646798
Energy: 0.08741146477109733
Energy: 0.6455368359663735
Energy: 0.3358771676784302
Energy: 0.3693158719957482
Energy: 0.2855219211548956
Energy: 0.3693158608646497
Energy: 0.22918534231406573
Energy: 0.42972741640895756
Energy: 0.36544463052589654
Energy: 0.42972741640980433
Energy: 0.2937004552609164
Energy: 0.4376301436702165
Energy: 0.2655166370330062
Energy: 0.43763014315895066
Energy: 0.2925494902721727
Energy: 0.008430023027733923
Energy: 0.1515365268805364
Energy: 0.008430023028580771
Energy: -1.0197590361568327
Energy: -0.08970932113954008
Energy: 0.28091789886820795
Energy: -0.08970932114123378
Energy: 0.12725488534315402
Energy: -0.05653850033201674
Energy: 0.34930274213828205
Energy: -0.056536926783550046
Energy: 0.09300783375829164
Energy: -0.08893371481287231
Energy: 0.2096750005567351
Energy: -0.08893371480694437
Energy: 0.3397721539569239
Energy: 0.4240242418699362
Energy: 0.2720231314515337
Energy: 0.4240242418733236
Energy: -0.014483464826943555
Energy: 0.3558700500438221
Energy: 0.3074097334814263
Energy: 0.3558700439323055
Energy: 0.22318863936690495
Energy: 0.6284670117979753
Energy: 0.25648265330858616
Energy: 0.6284670117971284
Energy: 0.07705808125031019
Energy: 0.5564538372180526
Energy: 0.19760511091531244
Energy: 0.5564538372129716
Energy: 0.08885747827442508
Energy: 0.7221826524739758
Energy: 0.1656373557876203
Energy: 0.7221826524739758
Energy: 0.14719013145424237
Energy: 0.6723444478290511
Energy: 0.16411859436604373
Energy: 0.6723444478240085
Energy: 0.34645034545043124
Energy: 0.6377925532268679
Energy: 0.09041619715757465
Energy: 0.6377925532277148
Energy: 0.3541013424593021
Energy: 0.2769272705056955
Energy: 0.2894881045611217
Energy: 0.2769272596352724
Energy: 0.22027411767181646
Energy: 0.44266440877516494
Energy: 0.37255425931158054
Energy: 0.44266440877262436
Energy: 0.28728622567940015
Energy: 0.4510278620584733
Energy: 0.28565623391510464
Energy: 0.45102786206266904
Energy: 0.29193421702722766
Energy: 0.004571658808654282
Energy: 0.15367860090272314
Energy: 0.004571658806960584

minimum gb energy = -1.0197590361568327 eV
minimum distance =  2.26739958048504 Angstroms
sigma value = 25


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

Energy: -2.1781016791356844
Energy: 0.2355664489962141
Energy: 0.40228837390931776
Energy: 0.2355664497174968
Energy: 0.15111221815317918
Energy: 0.3709551437871067
Energy: 0.2955785392779077
Energy: 0.37095514381959327
Energy: 0.25311650717010625
Energy: 0.12134627417239774
Energy: 0.4510181491961129
Energy: 0.12134627448531604
Energy: 0.14753484677155992
Energy: 0.45577337626693004
Energy: 0.3404161497573085
Energy: 0.4557733762541323
Energy: 0.352093246200738
Energy: 0.5435653971522427
Energy: 0.44429334362179773
Energy: 0.5435653981598637
Energy: 0.299608377226522
Energy: 0.4407370324972201
Energy: 0.31913474624347443
Energy: 0.4407370328564072
Energy: 0.40128573183454747
Energy: 0.784743870500687
Energy: 0.4900474966875871
Energy: 0.7847438704957648
Energy: 0.33732119784672343
Energy: 0.6451186561361625
Energy: 0.33144933019350026
Energy: 0.6451186561361625
Energy: 0.40426577518521345
Energy: 0.7868628358155718
Energy: 0.2900393356447838
Energy: 0.7868628358145874
Energy: 0.3549267853134955
Energy: 0.7497332256659222
Energy: 0.32498785686940307
Energy: 0.7497332256649377
Energy: 0.366893794815575
Energy: 0.556507591609051
Energy: 0.43224033119014643
Energy: 0.5565075916503976
Energy: 0.37032026304360277
Energy: 0.5166649764856938
Energy: 0.35434035345497333
Energy: 0.5166649764856938
Energy: 0.11346131244585922
Energy: 0.1582624218347261
Energy: 0.3765256281599806
Energy: 0.15826242183571057
Energy: 0.3455518486498851
Energy: 0.3159692380938367
Energy: 0.24463757437452976
Energy: 0.3159692382551957
Energy: 0.39028391044231475
Energy: 0.09854978963583287
Energy: 0.14066518228952438
Energy: 0.09854984990712802
Energy: -2.624963401345437
Energy: 0.13851413741662655
Energy: 0.2287710503965326
Energy: 0.138514137417611
Energy: 0.43738806579186457
Energy: 0.5269508867872119
Energy: 0.3457683686631578
Energy: 0.5269508857215536
Energy: 0.4266211549651705
Energy: 0.5306334827893247
Energy: 0.29112301277356084
Energy: 0.5306334827706202
Energy: 0.438325053766141
Energy: 0.7888757555517348
Energy: 0.40028191126140467
Energy: 0.7888757555487814
Energy: 0.3269246030063543
Energy: 0.7592201556027882
Energy: 0.3883874346976787
Energy: 0.7592201556047571
Energy: 0.288064269884841
Energy: 0.7826195058860687
Energy: 0.4051389460004288
Energy: 0.7826195058850842
Energy: 0.26832828626480115
Energy: 0.7504615900634146
Energy: 0.24974455536822857
Energy: 0.750461590108699
Energy: 0.43366284533231536
Energy: 0.5810728841436135
Energy: 0.36673367655462547
Energy: 0.5810728841495202
Energy: 0.3479319356738514
Energy: 0.5520372226111826
Energy: 0.3675109264083331
Energy: 0.5520372226092137
Energy: 0.37837392329823444
Energy: 0.2291536806815094
Energy: 0.24966222824225814
Energy: 0.2291536806815094

minimum gb energy = -2.624963401345437 eV
minimum distance =  2.27071705319986 Angstroms
sigma value = 9


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

Energy: 0.5574669428805631
Energy: 0.30278758607038214
Energy: 0.3930044130828497
Energy: 0.3027874310392537
Energy: -1.3089315754179265
Energy: 0.5266756278353291
Energy: 0.44552150615023456
Energy: 0.526675627831806
Energy: 0.32402710935371404
Energy: -1.261019005559166
Energy: 0.40396561267641107
Energy: -1.2354583294708654
Energy: 0.30497303417961363
Energy: 0.6780304708927317
Energy: 0.4435809305498305
Energy: 0.6780304709068241
Energy: 0.6050049897055438
Energy: 0.6965250260211664
Energy: 0.5540472661521687
Energy: 0.6965250260153212
Energy: 0.386304563381093
Energy: 0.6697512243488398
Energy: 0.44649331702497236
Energy: 0.6697512246516936
Energy: 0.6683571526386277
Energy: 0.884264950864753
Energy: 0.5738419450256641
Energy: 0.8842649508659273
Energy: 0.4426672507104005
Energy: 0.869077063891362
Energy: 0.40528733681138457
Energy: 0.8690770638761218
Energy: 0.5673247605532201
Energy: 0.6978866420192753
Energy: 0.4664621884381479
Energy: 0.6978866420392129
Energy: 0.4393138651394683
Energy: 0.7025972903302565
Energy: 0.4698911103291067
Energy: 0.7025972903232103
Energy: 0.5089961909268111
Energy: 0.27586388021691166
Energy: -1.3096444313801672
Energy: 0.2758638238781162
Energy: 0.3680909365661856
Energy: 0.299544096276116
Energy: 0.3196958939707108
Energy: 0.299544096266721
Energy: 0.3183617160959745
Energy: 0.3088563654488161
Energy: -1.3831959931165938
Energy: 0.3088563654605597
Energy: 0.32395109231170255
Energy: 0.2977585894179867
Energy: 0.38425421154552936
Energy: 0.297758589406243
Energy: 0.6037294147595466
Energy: 0.7052335946431486
Energy: 0.5495631496759936
Energy: 0.7052335946243588
Energy: 0.3896425323622252
Energy: 0.6740074213365331
Energy: 0.46534064125561864
Energy: 0.6740074213646913
Energy: 0.6571691223305245
Energy: 0.8715144835619701
Energy: 0.568813802353896
Energy: 0.8715144835584469
Energy: 0.6700978367319507
Energy: 0.8705865747241632
Energy: 0.38918793557111653
Energy: 0.8705865748145363
Energy: 0.5659137169569166
Energy: 0.7013433910335077
Energy: 0.47341299850378604
Energy: 0.7013433910252871
Energy: 0.5865449603908314
Energy: 0.7119598236748385
Energy: 0.47073517812685145
Energy: 0.7119598236748385
Energy: 0.48111159401114606
Energy: 0.2872195833951025
Energy: -1.3732298482756664
Energy: 0.2872069712205451

minimum gb energy = -1.3831959931165938 eV
minimum distance =  2.30701380070852 Angstroms
sigma value = 25


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

Energy: 0.9119374561073026
Energy: 0.5502424340610044
Energy: 0.667640257473174
Energy: 0.5502415743009427
Energy: 0.5276504172292751
Energy: 0.7023723894486279
Energy: 0.5411275023558755
Energy: 0.7023723894500803
Energy: 0.5716925679095964
Energy: 0.525783654780437
Energy: 0.6105422635259733
Energy: 0.5257836548138407
Energy: 0.5690242577021761
Energy: 0.7091520010922565
Energy: 0.7010994144405375
Energy: 0.7091520010922565
Energy: 0.8055505175298782
Energy: 0.8624436406188652
Energy: 0.6915017676860548
Energy: 0.8624436406174129
Energy: 0.5696464638497394
Energy: 0.8651569881651869
Energy: 0.6973155557100122
Energy: 0.8651569881666393
Energy: 0.6978470138960343
Energy: 0.8565782108002276
Energy: 0.6960828106368652
Energy: 0.8565782107987752
Energy: 0.705860099984996
Energy: 0.853590072071208
Energy: 0.6569719628637493
Energy: 0.8535900720290902
Energy: 0.5601641883841675
Energy: 0.5360509070213738
Energy: 0.4612154211443517
Energy: 0.5360509095458605
Energy: 0.5614753694692266
Energy: 0.536277735508143
Energy: 0.45414871619244535
Energy: 0.5362777346414958
Energy: 0.6023666471538238
Energy: 0.7126229338497757
Energy: 0.5740870646890942
Energy: 0.7126229338497757
Energy: 0.6061093371738893
Energy: 0.5368996110030151
Energy: 0.581504512278235
Energy: 0.5368996110015626
Energy: 0.6946776174718019
Energy: 0.8553297373652611
Energy: 0.8038840986765355
Energy: 0.8553297373638087
Energy: 0.691694716276424
Energy: 0.8705640452602246
Energy: 0.5645636606377181
Energy: 0.8705640452616769
Energy: 0.6957338319152623
Energy: 0.8585915852473592
Energy: 0.7075014224094281
Energy: 0.8585915852444546
Energy: 0.6898508653263264
Energy: 0.8525500610389192
Energy: 0.7103089604599412
Energy: 0.8525500610418237
Energy: 0.45947366606378554
Energy: 0.5393584818470128
Energy: 0.5700518833008266
Energy: 0.5393584817860478

minimum gb energy = 0.45414871619244535 eV
minimum distance =  2.2879686027015 Angstroms
sigma value = 17


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

Energy: 0.5154481444905299
Energy: -0.05332383952564618
Energy: 0.5767665944189551
Energy: -0.0533237637637525
Energy: 0.20334723801681245
Energy: 0.6046056284684421
Energy: 0.2984452758675321
Energy: 0.6046056284684421
Energy: 0.5950135602123375
Energy: 0.5999837731396113
Energy: 0.46751693277648554
Energy: 0.5999837731404338
Energy: 0.5978496636771486
Energy: 0.7546462831048796
Energy: 0.5761252101780527
Energy: 0.7546462830234862
Energy: 0.17248714259138864
Energy: 0.9305095009386399
Energy: 0.6583744703733833
Energy: 0.9305095009369949
Energy: 0.5761309865764653
Energy: 1.0279315984267068
Energy: 0.5892811752922934
Energy: 1.0279315984267068
Energy: 0.5068867478836994
Energy: 0.5939120114994818
Energy: 0.6027751000292051
Energy: 0.5939120114986592
Energy: 0.44214270294101427
Energy: 0.5950874436299673
Energy: 0.5309221811084113
Energy: 0.5950874436307899
Energy: 0.502392264454784
Energy: 0.41359568552915116
Energy: 0.5534808972376573
Energy: 0.4135956855266836
Energy: 0.5127524733083514
Energy: 0.4316627076862099
Energy: 0.5458585991112552
Energy: 0.4316627076541311
Energy: 0.6140906506701287
Energy: 0.8688316243797425
Energy: 0.6089707589671436
Energy: 0.8688316243797425
Energy: 0.6074352119487187
Energy: 0.8085593855074663
Energy: 0.6554839630993894
Energy: 0.8085593855099339
Energy: 0.5948730094682075
Energy: 0.8548177689333211
Energy: 0.6781110555908517
Energy: 0.8548177689152626
Energy: 0.5020128440605136
Energy: 0.7921148305392803
Energy: 0.5764732783259057
Energy: 0.7915799646187803
Energy: 0.43871205743611025
Energy: 0.17312599194756162
Energy: 0.5402372042092409
Energy: 0.1731259920100367
Energy: 0.47776859880959643
Energy: 0.08027508080939244
Energy: 0.5277086563033329
Energy: 0.08027508081021496
Energy: 0.5727880416029962
Energy: 0.5771766490597017
Energy: 0.5400218354292443
Energy: 0.5771763655213253
Energy: 0.5200838155364308
Energy: 0.5982353385713797
Energy: 0.6041888057591489
Energy: 0.5982353385713797
Energy: 0.5928034404513151
Energy: 0.9531866271434456
Energy: 0.597531953926541
Energy: 0.9531866271450907
Energy: 0.7497330229544323
Energy: 0.9807033040020405
Energy: 0.6004635326569824
Energy: 0.9807033040012181
Energy: 0.6549236994306205
Energy: 0.5548553826211052
Energy: 0.5541670580397191
Energy: 0.5548553835978627
Energy: 0.5367881769571318
Energy: 0.4887837948958124
Energy: 0.508813370903383
Energy: 0.4887837948884097
Energy: 0.5447623738804976
Energy: 0.11926112775432678
Energy: 0.48934788167443455
Energy: 0.11926112775350423
Energy: 0.5350069437086258
Energy: 0.49958266340709884
Energy: 0.56055689711708
Energy: 0.4995826634079214
Energy: 0.5752395770241634
Energy: 0.937886755671775
Energy: 0.5391227592041812
Energy: 0.9378867556725975
Energy: 0.642713487179743
Energy: 0.8036233844121184
Energy: 0.6081894584212055
Energy: 0.8036233782236459
Energy: 0.6021410049851448
Energy: 0.9757144946937383
Energy: 0.5766589266413082
Energy: 0.9757144946912706
Energy: 0.5977241838183438
Energy: 0.8353246442224758
Energy: 0.479271751431195
Energy: 0.8353246442208306
Energy: 0.29706887508032254
Energy: 0.8341309609480203
Energy: 0.6055813860965902
Energy: 0.8341309609611808
Energy: 0.5281657736605672
Energy: 0.08574672760241632
Energy: 0.08111721888786397
Energy: 0.08574672781373238

minimum gb energy = -0.05332383952564618 eV
minimum distance =  2.25724760983068 Angstroms
sigma value = 53


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

Energy: 1.327578750894658
Energy: 0.698405851711865
Energy: 0.8504391583269216
Energy: 0.6984062869564956
Energy: 0.6802932644238072
Energy: 0.7119067304443509
Energy: 0.7011023816127449
Energy: 0.7119067304462445
Energy: 0.7146044531298203
Energy: 0.7221373341108834
Energy: 0.7967802743266368
Energy: 0.7221373341089897
Energy: 0.7186846018493988
Energy: 0.7996700086774072
Energy: 0.695012717693318
Energy: 0.7996700086774072
Energy: 0.6877234361712721
Energy: 0.798071027926258
Energy: 0.8283677315611562
Energy: 0.798071027926258
Energy: 0.6860990758076988
Energy: 0.8355738263048784
Energy: 0.7871450459833448
Energy: 0.8355738263048784
Energy: 0.6687706200889653
Energy: 0.6861085524777348
Energy: 0.7290661069185501
Energy: 0.6861085524758412
Energy: 0.6679336413310405
Energy: 0.7083999217951749
Energy: 0.7091082529667161
Energy: 0.7083999217819196
Energy: 0.7120377021985148
Energy: 0.7077394337978282
Energy: 0.7947434478126715
Energy: 0.7077394337997218
Energy: 0.7465091859280554
Energy: 0.7130744366004748
Energy: 0.6936589928049754
Energy: 0.7130744365929003
Energy: 0.7228194169258749
Energy: 0.8348214814308974
Energy: 0.7881664488818823
Energy: 0.834821481432791
Energy: 0.7140076592243498
Energy: 0.7956595193339014
Energy: 0.8599044556716424
Energy: 0.795659519335795
Energy: 0.6635113534440065
Energy: 0.7036998564242772
Energy: 0.7379104317357611
Energy: 0.7036998564185963

minimum gb energy = 0.6635113534440065 eV
minimum distance =  2.30453626567775 Angstroms
sigma value = 9


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

Energy: 0.6446731994358347
Energy: 0.4097368555221188
Energy: 0.6820355130742087
Energy: 0.4123109101589736
Energy: 0.591789202233717
Energy: -0.044983860794718826
Energy: 0.5687016141989042
Energy: 0.014762456482639373
Energy: 0.6129267736183119
Energy: 0.602728277916054
Energy: -0.003092599289834801
Energy: 0.6027282779006351
Energy: 0.5993037426826257
Energy: 0.6015263102344959
Energy: 0.5599133783537832
Energy: 0.6015263102267865
Energy: 0.6267910383186461
Energy: -0.4871928477435753
Energy: 0.14590071876316849
Energy: -0.48728791843916225
Energy: 0.598130947777768
Energy: 0.8910058921428355
Energy: 0.14251178833778622
Energy: 0.8910058921323228
Energy: 0.6115817540415939
Energy: 0.44863796445218046
Energy: 0.5370318949471053
Energy: 0.44863796445077875
Energy: 0.665443312345667
Energy: 0.46161682451350333
Energy: 0.5691471608485105
Energy: 0.4616168245128025
Energy: 0.6080934641848532
Energy: 0.9405835827392501
Energy: 0.6249427559148747
Energy: 0.9405835831693854
Energy: 0.8555399144920833
Energy: 0.8416836871896711
Energy: 0.47502435834445306
Energy: 0.8416836872177054
Energy: 0.6361503797947711
Energy: -0.4593045567328691
Energy: 0.6646395955956915
Energy: -0.4593063585148695
Energy: 0.6228841562131415
Energy: 0.5499608583962384
Energy: 0.4687878436338527
Energy: 0.5499608591668628
Energy: 0.6203944549306106
Energy: -0.44203471609366224
Energy: 0.5642640875059058
Energy: -0.44203470617111695
Energy: 0.023842903206027655
Energy: -0.5582048360282119
Energy: 0.6061885906952567
Energy: -0.5582213001037879
Energy: 0.5739065881739218
Energy: 0.8729143330089554
Energy: 0.6132393442587294
Energy: 0.8729143330033485
Energy: 0.5459625446618981
Energy: 1.0008889853584482
Energy: 0.5694812192011779
Energy: 1.0008889854501968
Energy: -0.15725447006213175
Energy: 1.0923404011926143
Energy: 0.594919051430343
Energy: 1.0923404011919133
Energy: 0.0003790446588328383
Energy: -0.048131530547505984
Energy: 0.6402901655668586
Energy: -0.048118301575353344
Energy: 0.5556401892965017
Energy: -0.04756611507226891
Energy: 0.6916649614217052
Energy: -0.2588870262308879
Energy: 0.3904631281705732
Energy: 0.6035710416629645
Energy: 0.604426278466941
Energy: 0.6035710416643661
Energy: 0.5811739206687541
Energy: 0.6040090748763909
Energy: -0.009461586569682118
Energy: 0.6040090748735875
Energy: -0.26428058383297964
Energy: -0.25932805839785106
Energy: -0.4227053397533948
Energy: -0.2593278210829487
Energy: 0.14300063694559884
Energy: 0.8157278948773603
Energy: 0.5958568953407204
Energy: 0.8157278950546135
Energy: 0.5620482422349453
Energy: -0.061466949959655945
Energy: 0.6265630680517149
Energy: -0.1484502081494751
Energy: 0.5549956706493364
Energy: -0.20000379023040016
Energy: 0.6441973938901542
Energy: -0.20000379022759673
Energy: 0.6480758325600879
Energy: 0.9510650794935711
Energy: 0.5998967254104853
Energy: 0.9510650800091471
Energy: 0.4788189173025509
Energy: 0.9475181175700474
Energy: 0.7392853812437287
Energy: 0.9475181175672439
Energy: 0.6651677567691255
Energy: 0.9078656077854678
Energy: 0.6411010171642849
Energy: 0.9078656078561906
Energy: 0.4630330991932847
Energy: -0.33531396447626766
Energy: 0.5901979622557768
Energy: -0.3353139651053825
Energy: -0.3320237740055787
Energy: -0.48475694829280447
Energy: 0.6231655302787763
Energy: -0.4847569476833135
Energy: 0.599082046048086
Energy: -0.4628743278829519
Energy: 0.6040095031067085
Energy: -0.4628758635281894
Energy: 0.6163808118433682
Energy: 0.8074314751110828
Energy: -0.09717839931976915
Energy: 0.8074316089433988
Energy: 0.5640878714576523
Energy: 0.9970497015343763
Energy: 0.5425597813740616
Energy: 0.9970497015273677
Energy: 0.6115755940723768
Energy: 1.0957748198577708
Energy: 0.6246662052458484
Energy: 1.0957748198605741
Energy: 0.6447870775811855
Energy: -0.1542208936056892
Energy: -0.04110283935631542
Energy: -0.15422084113263732

minimum gb energy = -0.5582213001037879 eV
minimum distance =  2.22404435602927 Angstroms
sigma value = 73


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

Energy: 0.6106717786200916
Energy: -0.2677912720156707
Energy: -0.17834718669398766
Energy: -0.3420219725391699
Energy: 0.5030117742823143
Energy: 0.7358704560150635
Energy: 0.5313765818357926
Energy: 0.7358704573243795
Energy: 0.548102623875223
Energy: 0.5319549856297201
Energy: 0.6046745791208346
Energy: 0.5319549184422612
Energy: 0.5163161746445833
Energy: 0.532118593726156
Energy: 0.5306406672301702
Energy: 0.5321185937528179
Energy: 0.5200937865722248
Energy: 0.8954738452302968
Energy: 0.47676076529031075
Energy: 0.8954738452302968
Energy: 0.5405017868986686
Energy: 0.9021382946192414
Energy: 0.4672868241268003
Energy: 0.9021382946403688
Energy: 0.5904466000595799
Energy: 0.7529414074318433
Energy: 0.6186772599334248
Energy: 0.7529414074307316
Energy: 0.5906547113920708
Energy: 0.563909170056892
Energy: 0.6456112761240144
Energy: 0.5639091700613398
Energy: 0.5961533803296793
Energy: 0.993845195874386
Energy: 0.41710275725448037
Energy: 0.9938451958721621
Energy: 0.7175351152031452
Energy: 0.8869352480274636
Energy: 0.5730270098038133
Energy: 0.8869352999921676
Energy: 0.577031328375938
Energy: 0.6058839003654622
Energy: 0.5593974170730228
Energy: 0.6058839003821164
Energy: 0.5968919468355216
Energy: 0.6050540923275776
Energy: 0.6390961858548604
Energy: 0.6050540916984821
Energy: 0.6117424898961243
Energy: 0.7889864315473614
Energy: 0.6099795211760631
Energy: 0.7889864315584811
Energy: 0.6171696119988714
Energy: 0.7637861841348594
Energy: 0.6272657741686494
Energy: 0.7637861841348594
Energy: 0.6840296301078058
Energy: 0.754852459150693
Energy: 0.5666559824700503
Energy: 0.7548524604955668
Energy: 0.45799839117037794
Energy: 0.8475468356808721
Energy: 0.55856492497109
Energy: 0.8475468397321729
Energy: 0.5621388994597672
Energy: 1.0314813040271122
Energy: 0.6221897011962693
Energy: 1.0314813040271122
Energy: 0.35778146186270127
Energy: 0.3584131189612545
Energy: 0.5877079982301809
Energy: 0.3584131189857178
Energy: 0.61445070610028
Energy: 0.8274163610387505
Energy: 0.5965956892614064
Energy: 0.8274163610187352
Energy: 0.4910220708185717
Energy: 0.8089271027452768
Energy: 0.5297724987991016
Energy: 0.8089271027452768
Energy: 0.5196185471611596
Energy: 0.7591663033564401
Energy: 0.5831061486101272
Energy: 0.7591663033653357
Energy: 0.6766084381463227
Energy: 0.5166047107622435
Energy: 0.553164922098483
Energy: 0.5166047108256004

minimum gb energy = -0.3420219725391699 eV
minimum distance =  2.24884700564587 Angstroms
sigma value = 7


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

Energy: 0.11423812490328307
Energy: -0.10296437370047808
Energy: -0.10692327243585739
Energy: -0.10295048358132919
Energy: -0.3675190916665983
Energy: 1.0382322412258511
Energy: -0.1630822970148121
Energy: 1.0382322412234923
Energy: 0.08215066104891121
Energy: 0.020188182595391253
Energy: 0.08106129679369067
Energy: 0.020187930367527508
Energy: 0.5732851596309301
Energy: 0.06327776445583114
Energy: 0.10530811710859103
Energy: 0.0632779089129679
Energy: -0.0038771230785077195
Energy: 0.01267215375414123
Energy: 0.612066622590725
Energy: 0.012672153748637274
Energy: -0.20614284313265083
Energy: 0.8425082570306573
Energy: 0.6176136870827741
Energy: 0.8425082570762259
Energy: 0.215681039912997
Energy: 0.17064384553477183
Energy: 0.003702898243653161
Energy: 0.17168221493382543
Energy: 0.10255573771509595
Energy: 0.014975424125353638
Energy: 0.4917501461207401
Energy: 0.014971730297018288
Energy: -0.11452689318270572
Energy: -0.225066204118509
Energy: 0.5579858129615914
Energy: -0.22506620430710886
Energy: -0.1244074890492125
Energy: 0.9773907257045895
Energy: -0.31856524595821195
Energy: 0.977390725706162
Energy: 0.0063537832972261656
Energy: 0.08189236291482564
Energy: 0.12948351136614786
Energy: 0.08189237217230233
Energy: -0.06381353192053306
Energy: -0.056748174251782864
Energy: 0.39983000499655236
Energy: -0.05674817425256914
Energy: -0.10071085649498863
Energy: 0.7649623964279908
Energy: -0.32796309116495265
Energy: 0.7649623566174779
Energy: -0.06121343756546402
Energy: -0.019578949658556194
Energy: -0.3023999279714468
Energy: -0.01957894889936755
Energy: -0.3760905490226174
Energy: 0.8053983347737846
Energy: -0.14907490740697812
Energy: 0.8053983368172178
Energy: 0.5451677051009738
Energy: -0.05985349328653138
Energy: -0.05373738027570102
Energy: -0.05985349328653138
Energy: 0.13099386857917594
Energy: 0.9963191204311965
Energy: 0.16000813595931693
Energy: 0.9963191204885591
Energy: 0.061273815644568276
Energy: 0.9975068862821622
Energy: 0.22874252729487565
Energy: 0.997506885353995
Energy: -0.06994835947442492
Energy: -0.006110317298081377
Energy: -0.0825648298467204
Energy: -0.006110317177065807
Energy: 0.017190004490572924
Energy: -0.08048395812253652
Energy: 0.09342647791594809
Energy: -0.08048395816338731
Energy: -0.23642738852893053
Energy: 0.8480728586028188
Energy: 0.17374242129177586
Energy: 0.8480728586012461
Energy: 0.014886883549393748
Energy: 0.8561877604880472
Energy: -0.3394908601323044
Energy: 0.8561877604880472
Energy: 0.21565637200331256
Energy: 0.029723748293594827
Energy: -0.07089654952607526
Energy: 0.029723614213847
Energy: -0.058340372402255966
Energy: -0.019590172215801303
Energy: 0.5850984541385882
Energy: -0.019590161619862396
Energy: -0.10178464782635395
Energy: -0.016420510520181297
Energy: 0.114674737188234
Energy: -0.016420510904493292
Energy: -0.18105903307866475
Energy: 1.0232569614317224
Energy: -0.27438791197502266
Energy: 1.0232569614293636
Energy: -0.22563667440826662
Energy: -0.213102401613521
Energy: 0.26665094350717783
Energy: -0.21310240158367816
Energy: -0.350071973777653
Energy: 0.9855912846461925
Energy: -0.2705127891077995
Energy: 0.9855912846493375
Energy: 0.026631516388149874
Energy: -0.3021166095759406
Energy: -0.10712775909903877
Energy: -0.3021166088010263
Energy: -0.31142328595675767
Energy: 0.8284995685499136
Energy: 0.5840631072722718
Energy: 0.8284995687306862
Energy: 0.7700279602751664
Energy: -0.06386658502674462
Energy: -0.3240670860995071
Energy: -0.06386658502595835

minimum gb energy = -0.3760905490226174 eV
minimum distance =  2.23670614908694 Angstroms
sigma value = 29


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

Energy: 0.9350013864018624
Energy: 0.9550467736097376
Energy: -0.23637182239610133
Energy: 0.9550467736116243
Energy: 0.07224316596321122
Energy: -0.13371702880564346
Energy: -0.24517313859285408
Energy: -0.1337170290719799
Energy: -0.21021590187757982
Energy: -0.21282453424570558
Energy: 0.7806392588932598
Energy: -0.2358758362359084
Energy: 0.6081551661296101
Energy: 0.004304751588235622
Energy: -0.2067464934564961
Energy: 0.012620902591582847
Energy: 0.09525586659599536
Energy: -0.22758447868806317
Energy: 0.6003256286330707
Energy: -0.2827979690941037
Energy: 0.10433569444977761
Energy: -0.10803153690205074
Energy: 0.5990488221902378
Energy: -0.10815551660306656
Energy: 0.7809683782114175
Energy: -0.17488772611541756
Energy: -0.23219157142113828
Energy: -0.17488813927896812
Energy: -0.31004094672169014
Energy: -0.16076170700177228
Energy: 0.6096022547608895
Energy: -0.16076170771593865
Energy: 0.6084247778533425
Energy: -0.15571614890274707
Energy: -0.12866550446930905
Energy: -0.15571647291899549

minimum gb energy = -0.31004094672169014 eV
minimum distance =  2.27512078689521 Angstroms
sigma value = 5


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

Energy: 0.49992253361638406
Energy: -1.0560732287535743
Energy: -0.44970859939180957
Energy: -0.14332191432424546
Energy: -0.2949704325054189
Energy: -0.31580479742077006
Energy: -0.46295165235763147
Energy: -0.31580107682444736
Energy: 0.2844558584537351
Energy: 0.06362717060118261
Energy: -0.16199045317668467
Energy: 0.06366261408308753
Energy: -0.2658314655901798
Energy: -0.42974066934669686
Energy: -0.3182401518972508
Energy: -0.41167946858735693
Energy: -0.11148289002588326
Energy: -0.3178098487569724
Energy: 0.2756724016922233
Energy: -0.317809848814872
Energy: -0.3469865986388131
Energy: -0.2551894131832792
Energy: 0.272323039978062
Energy: -0.2551895296816095
Energy: -0.34388721126849064
Energy: -0.1599467742812001
Energy: -0.2657777593346542
Energy: -0.15990949722739758
Energy: -0.31652730250122074
Energy: 0.7915460503435479
Energy: -0.03091434204846778
Energy: 0.7915460503442906
Energy: 0.08261110386584491
Energy: 0.2690503906749111
Energy: -0.039859597672118885
Energy: 0.26905040596253865
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Energy: -0.4578135017798285
Energy: -0.4425753290088515
Energy: -0.2635386414487537
Energy: -0.4649042456553418
Energy: 0.039242737015633765
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Energy: -0.24300331069141579
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Energy: -0.2758508176603844
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Energy: -0.20251193455142538
Energy: -0.33901662751190215
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Energy: 0.32477760803430794
Energy: 0.3036453434143998
Energy: -0.18295035066915927
Energy: 0.5784709522987216
Energy: -0.18404702549601656
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Energy: 0.2656969861511649
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Energy: -0.11647050739143372
Energy: -0.3264447583793234
Energy: 0.2740688471643522
Energy: -0.21179975778183535
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Energy: -0.28441067093526046
Energy: -0.19511342020824177
Energy: -0.19334690559961915
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Energy: -0.3232720662926271
Energy: 0.1511970967616856
Energy: 0.04794548427827945
Energy: -0.2192391169558567
Energy: 0.053667109320865304
Energy: -0.21919202996818413
Energy: -0.05476300009161374
Energy: -0.44328720159789664
Energy: 0.41228718471732817
Energy: -0.4391479446508826
Energy: -0.0958492021017946
Energy: 0.08384869144326476
Energy: -0.29805108490324256
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Energy: -0.30201369654174753
Energy: -0.3607770655855925
Energy: -0.1415125462770587
Energy: -0.36077616014803743
Energy: -0.22197671215590808
Energy: -0.1178363994930232
Energy: 0.2932613519771848
Energy: -0.49277758565290264
Energy: 0.08971521696107261
Energy: 0.045259814040523455
Energy: -0.3266502190273743
Energy: 0.07677835470572161
Energy: 0.058184141798322146
Energy: -0.23240722925363405
Energy: -0.36155917516348474
Energy: -0.23240722803534497
Energy: -0.19335008495579709
Energy: -0.34558539162148355
Energy: -0.3430529095462529
Energy: -0.34558539157766216
Energy: 0.1589844113986932
Energy: -0.37073357044375044
Energy: -0.3830766581744291
Energy: -0.37073354511953543

minimum gb energy = -1.0560732287535743 eV
minimum distance =  2.22988840569595 Angstroms
sigma value = 1


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

Energy: 0.5605792425119722
Energy: -0.016123089753923462
Energy: -0.060303065775034234
Energy: -0.042984795866189064
Energy: 0.08344312802470076
Energy: -0.17633314483815116
Energy: -0.024753188508591567
Energy: -0.17633314647334397
Energy: -0.17629520154069
Energy: 0.6115921423370116
Energy: -0.04653894213779436
Energy: 0.6115921955845943
Energy: 0.3621544398905686
Energy: 0.17738834584178254
Energy: 0.15570599664433607
Energy: 0.21625512617625914
Energy: -0.16668874390334296
Energy: 0.17086263092598358
Energy: 0.2715342229046924
Energy: 0.1708626309229494
Energy: 0.30688945614857976
Energy: 0.14168906746945015
Energy: 0.21393799390765775
Energy: 0.14169048214048957
Energy: 0.06238267264774749
Energy: -0.16016324172445026
Energy: 0.2901132031320252
Energy: -0.1601631646035191
Energy: 0.36577360223787325
Energy: 0.057862061039447646
Energy: 0.2299998701352611
Energy: 0.0594287214928789
Energy: 0.08433157833768588
Energy: 0.40854560085381136
Energy: 0.09850484642270844
Energy: 0.4085454451882623
Energy: 0.35305178995160025
Energy: 0.47803865810701757
Energy: 0.030920740188495423
Energy: 0.47803864844355537
Energy: 0.08683762547959073
Energy: -0.20927972141634676
Energy: -0.198988014523258
Energy: -0.20927368245631062
Energy: 0.6338810547576219
Energy: 0.09367806968811186
Energy: -0.11831111893077034
Energy: 0.0936780696870849
Energy: 0.892940460153796
Energy: 0.044432966734891756
Energy: -0.02496073042400696
Energy: 0.044432952731376735
Energy: -0.020019969542374366
Energy: 0.006207128671770522
Energy: 0.13804740274506155
Energy: 0.006210540007124257
Energy: 0.20090180719486758
Energy: 0.5578432757526885
Energy: 0.22370191001033263
Energy: 0.5578432757690732
Energy: 0.2883388806877904
Energy: 0.4285199430850376
Energy: -0.00716865310846652
Energy: 0.42851994308401065
Energy: 0.01711882632847545
Energy: 0.45557021706046935
Energy: 0.2988216965231949
Energy: 0.4555702088320371
Energy: 0.28128187027960755
Energy: 0.08645819945060446
Energy: 0.28370295640554855
Energy: 0.08645819945163143
Energy: -0.09086444127976472
Energy: 0.05614200952565286
Energy: 0.3479221178554256
Energy: 0.05614200951743722
Energy: 0.04304960420910158
Energy: -0.12254550403805685
Energy: 0.3045854956484048
Energy: -0.04663368175343577
Energy: 0.530815102178898
Energy: 0.5788567988702465
Energy: 0.035983623684827055
Energy: 0.5788568012947946
Energy: 0.3558890821851813
Energy: 0.2559190344826888
Energy: -0.04153313691851415
Energy: 0.2559190344857697
Energy: 0.43253700960907404
Energy: 0.1097645124518331
Energy: 0.0978598302164939
Energy: 0.10976451245080614
Energy: 0.8974826433906906
Energy: -0.204779844841463
Energy: -0.2478169365457662
Energy: -0.2047827887747089

minimum gb energy = -0.2478169365457662 eV
minimum distance =  2.21881977190712 Angstroms
sigma value = 17


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

Energy: -0.2276653001916662
Energy: -0.9751953495921932
Energy: -0.8258324332931771
Energy: -1.0211817574959645
Energy: -0.6623184879763656
Energy: 0.6548084235482582
Energy: -0.8415090374272084
Energy: 0.6548084235152518
Energy: -0.5969963232112174
Energy: -0.8558176399471001
Energy: -0.6443578224938856
Energy: -0.8558182255971994
Energy: -0.11645141087969295
Energy: -0.5577875626451168
Energy: -0.7631360313533065
Energy: -0.5284951002423945
Energy: -0.19938976942882702
Energy: -0.9358604112899563
Energy: 0.2699204868575991
Energy: -0.935860413697699
Energy: -0.8875775110737762
Energy: -1.0497328534551928
Energy: -0.38410600463470995
Energy: -1.0497328539056274
Energy: -0.9615207915464571
Energy: -0.9649975710946561
Energy: -1.0115783372828573
Energy: -0.9647399560632278
Energy: -0.7306930623004108
Energy: -1.029343866445743
Energy: -0.18949242333381056
Energy: -1.028352215609714
Energy: -0.3278887118888929
Energy: -0.46086303140241264
Energy: -0.599626621904398
Energy: -0.46953723408057185
Energy: -0.4683938979941237
Energy: -0.9000856972110732
Energy: -0.37928570061602257
Energy: -0.906586808872111
Energy: -0.10556618407959045
Energy: -0.6952420528333701
Energy: -0.6477680735543192
Energy: -0.6952438666064147
Energy: -0.31607443197854734
Energy: -0.8186701763085253
Energy: -0.2776934009418507
Energy: -0.8186701762932916
Energy: -0.2704387738547668
Energy: -0.8902566217594237
Energy: -0.9698943842194352
Energy: -0.890282026473961
Energy: -0.7998801895460083
Energy: -0.7748651606069678
Energy: -0.7899449927105715
Energy: -0.7749565464850701
Energy: -0.09471690456517769
Energy: -0.8553873218313134
Energy: -0.5867733017985622
Energy: -0.8643140397431296
Energy: -0.7147648953309502
Energy: -0.8024560876052067
Energy: -0.7408761464336963
Energy: -0.7427846373667342
Energy: -0.5188459237284834
Energy: -0.9327135104264025
Energy: -0.1402875304966015
Energy: -0.9411616726044828
Energy: -0.8092803493158296
Energy: -0.8772848388534806
Energy: -0.7988856949598419
Energy: -0.8772525434505675
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Energy: -0.7945232249612543
Energy: -0.4620819805025616
Energy: -0.7945232197313993
Energy: -0.5874110502932237
Energy: -0.9959675839971791
Energy: -0.4426913681483702
Energy: -0.9959668485628873
Energy: -0.677631686949737
Energy: -0.743367753629197
Energy: -0.9716626047310468
Energy: -0.7433677552876577
Energy: -0.5158802245816145
Energy: -0.3211418303840324
Energy: -0.5293666189073872
Energy: -0.3211413668728836
Energy: -0.9327495371067177
Energy: -0.7910836388426556
Energy: -0.23483630676724357
Energy: -0.7046965630896431
Energy: -0.2106535302391306
Energy: -1.0213381497526959
Energy: -0.43467085362265573
Energy: -1.0213376579136133
Energy: -0.4179054291091235
Energy: -0.998203207073275
Energy: -1.015276881211309
Energy: -0.9983974664706117
Energy: -0.9606367325898024
Energy: -1.0295022879831879
Energy: -1.0257454172224991
Energy: -1.0295022069768418
Energy: -0.6030053892386583
Energy: -0.9679110503430274
Energy: -1.0015797538314892
Energy: -0.9694436341041716
Energy: -0.7226621869143584
Energy: -0.6821835104320393
Energy: -0.5219278009339349
Energy: -0.8236809076166544
Energy: -0.18178710711677745
Energy: -0.8737931568514538
Energy: -0.3072158316218524
Energy: -0.892649969839242
Energy: -0.6484161765055984
Energy: -0.7847096406983117
Energy: -0.6381540894338464
Energy: -0.8746721235857879
Energy: -0.21111650681823416
Energy: -0.972553212437287
Energy: -0.24231292912108018
Energy: -0.9725532124417302
Energy: -0.8981298475586933
Energy: -0.9417892258243351
Energy: -0.16615804274607876
Energy: -0.9418070203195043
Energy: -0.7631344530994993
Energy: -0.8879932800091379
Energy: -0.892207273499477
Energy: -0.9802262839307342
Energy: -0.9213209200293156
Energy: -0.5882558338096807
Energy: 0.1016956473414727
Energy: -0.5875185731040984
Energy: -0.7333758235806584
Energy: -0.7168792115563966
Energy: -0.6876739067122116
Energy: -0.7169683791352653
Energy: -0.14951156586985997
Energy: -0.882858601683374
Energy: -0.9486594549752647
Energy: -0.9233943060883596
Energy: -0.8740273109621391
Energy: -0.9166844445959151
Energy: -0.8796254618105496
Energy: -0.9166860586001919
Energy: -0.3468481899788709
Energy: -0.9299580006303425
Energy: -0.8847580839221325
Energy: -0.929958098037451

minimum gb energy = -1.0497328539056274 eV
minimum distance =  2.18076249358324 Angstroms
sigma value = 89


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

Energy: -0.2601473933670921
Energy: -0.8123593119939444
Energy: -0.7751048606967752
Energy: -0.8464551711771139
Energy: -0.4239173368387754
Energy: -0.6526397450014638
Energy: -0.7962889894648353
Energy: -0.6346632240650488
Energy: 0.06772732802661242
Energy: -0.6886386845751671
Energy: -1.0267261843636986
Energy: -0.6730216727238567
Energy: -0.4895874002278676
Energy: -0.7147902032342807
Energy: -0.48258571424938
Energy: -0.711515789596349
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Energy: -0.9714910904432036
Energy: -0.05157030887596034
Energy: -0.9485244789349895
Energy: -0.8545377569680074
Energy: -0.792613312802284
Energy: -0.18261576270485697
Energy: -0.7926205752041097
Energy: -0.7051124928432945
Energy: -0.8448382295018458
Energy: -0.8703637543847942
Energy: -0.8447595205011672
Energy: -0.7971978628101495
Energy: -0.8525208369548528
Energy: -0.5060909539267985
Energy: -0.8572751787833023
Energy: -0.831763759928071
Energy: -0.8208127747011342
Energy: -0.5536357112520657
Energy: -0.8039615444576952
Energy: -0.8604241745032002
Energy: -0.7609985679473762
Energy: -0.43203212450608675
Energy: -0.7252117061867187
Energy: -0.5599841358051398
Energy: -0.7218284898163783
Energy: -0.37628480866517516
Energy: -0.6567931090891505
Energy: -0.10069771900143316
Energy: -0.8356063865686422
Energy: -0.42375800341702385
Energy: -0.8230324745789828
Energy: -0.12361882733605063
Energy: -0.8670910659365911
Energy: -0.5573840471576572
Energy: -0.8873361654048121
Energy: -0.5679908963214835
Energy: -0.9506420542952907
Energy: -0.774867495275839
Energy: -0.8451977317619239
Energy: -0.5287936813479842
Energy: -0.8178411317440241
Energy: -0.9071849907377024
Energy: -0.8174796898563005

minimum gb energy = -1.0267261843636986 eV
minimum distance =  2.23197815820674 Angstroms
sigma value = 13


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

Energy: -0.44558852821951245
Energy: -0.9461968012218579
Energy: -1.4515663254128548
Energy: -1.344332537855022
Energy: -1.3210662090386391
Energy: -1.422197166825288
Energy: -1.3058883829226535
Energy: -1.4222290471304282
Energy: -1.3723063046510453
Energy: -1.447526530786275
Energy: -0.7596933581385416
Energy: -1.4475266345900455
Energy: -0.7560221976231988
Energy: -1.4306260190662972
Energy: -1.2711422107632095
Energy: -1.4306167065388193
Energy: -1.3143178670583127
Energy: -1.0599610940556816
Energy: -1.1179105797678612
Energy: -1.0599611707136758
Energy: -1.2733467751665624
Energy: -1.3551836999897149
Energy: -1.192317179189228
Energy: -1.3551279697027714
Energy: -0.5368444969359447
Energy: -1.459775139275347
Energy: -1.3165834967656305
Energy: -1.4604762682083254
Energy: -1.0959254494197421
Energy: -1.6215289756898041
Energy: -0.8367234351096606
Energy: -1.6254953146414608
Energy: -1.5448945042915336
Energy: -1.469427901651764
Energy: -0.8914013109945683
Energy: -1.4176779378925577
Energy: -1.448437801150613
Energy: -0.8340565745372053
Energy: -1.3411596481832928
Energy: -0.8340565745615057
Energy: -1.4915485687620431
Energy: -1.4604457573316332
Energy: -0.856206844655052
Energy: -1.4526688057102641
Energy: -0.9944839196761772
Energy: -1.5460322696080515
Energy: -1.2908556811910923
Energy: -1.5487161380651264
Energy: -1.1708773043137177
Energy: -1.2459709368407101
Energy: -1.2788918581348858
Energy: -1.2160755873693998
Energy: -1.1994761194689527
Energy: -1.151720381077102
Energy: -0.7753164946847859
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Energy: -1.0657001592898165
Energy: -1.5659010013080867
Energy: -0.9591036467833045
Energy: -1.5679614023786062
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Energy: -1.0633223980939526
Energy: -0.8538091939364824
Energy: -1.5429583680291052
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Energy: -1.3243288241280333
Energy: -1.2696994968803672
Energy: -0.9003482420726824
Energy: -1.5662119338643365
Energy: -1.3750961870498357
Energy: -1.5662093022101677
Energy: -1.3061603284945051
Energy: -1.228728922057298
Energy: -0.948891964259345
Energy: -1.2269518470720735
Energy: -0.6612959562512081
Energy: -1.1931642739140633
Energy: -1.2983529113512662
Energy: -1.1931579554185114
Energy: -1.4109158147769356
Energy: -1.3323761716675908
Energy: -1.0780498573448078
Energy: -1.3472873970958525
Energy: -1.324732757045003
Energy: -1.2224266488549647
Energy: -0.4679435059404595
Energy: -1.168728667077862
Energy: -1.4493161560798025
Energy: -1.7020064638015018
Energy: -1.3544068330181738
Energy: -1.54497499996266
Energy: -1.2158894505216025
Energy: -1.5593956471242045
Energy: -0.8377662916201206
Energy: -1.5818214539249484
Energy: -1.5006930752368592
Energy: -1.457790009017388
Energy: -0.9658141743572495
Energy: -1.4577897747775437
Energy: -1.4840124987081245
Energy: -1.511434667980977
Energy: -1.313781531049382
Energy: -1.5111026715333047
Energy: -1.5349819604885162
Energy: -1.3657015215189456
Energy: -0.9617115856517231
Energy: -1.3657015221041173
Energy: -1.257165871941428
Energy: -1.1834959200038635
Energy: -1.1074491459285072
Energy: -1.183499175498741
Energy: -1.2118609934767874
Energy: -1.41066679357498
Energy: -1.3909861587538066
Energy: -1.3863410900142448
Energy: -1.216194230899263
Energy: -0.8728581985326116
Energy: -0.8937046678135901
Energy: -0.8134708385834777
Energy: -1.0798615989169824
Energy: -1.474568012656883
Energy: -1.3077683372100353
Energy: -1.4745648162038456
Energy: -1.0411275493644774
Energy: -1.4326290908287183
Energy: -1.565712948109977
Energy: -1.4326290911327897
Energy: -1.0637632309996605
Energy: -1.0715294840320404
Energy: -1.1770110289168523
Energy: -1.0603398626131506
Energy: -0.8415951362439054
Energy: -1.4072472602624357
Energy: -1.5428497462062387
Energy: -1.4072472802881277

minimum gb energy = -1.7020064638015018 eV
minimum distance =  2.17424876241476 Angstroms
sigma value = 37


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

Energy: 0.4743675924445453
Energy: -0.7001343444625234
Energy: -0.8327901818921948
Energy: -0.7343965762493405
Energy: -0.5028592848347557
Energy: -0.2589470891852025
Energy: -0.37053549137546615
Energy: -0.25894680110342577
Energy: -0.37056998078276776
Energy: -0.6242012977336414
Energy: -0.5492016836213804
Energy: -0.6242013019055148
Energy: -0.43207462512469724
Energy: -0.6190382899636966
Energy: -0.6218111491890993
Energy: -0.6098328061852094
Energy: -0.6915338740974065
Energy: -0.5823266885472059
Energy: -0.3047576482495849
Energy: -0.5576700969186137
Energy: -0.6637320011232258
Energy: 0.3717617764886725
Energy: -0.42664077311085863
Energy: 0.3717617720330979
Energy: -0.3188779013042394
Energy: 0.4944571708196286
Energy: -0.5494740895158119
Energy: 0.4944571708196286
Energy: -0.4332326338855351
Energy: -0.07829374518913487
Energy: 0.013396130368374259
Energy: -0.07829365261547358
Energy: -0.749627172257277
Energy: -0.5888605284555058
Energy: 0.058589186924982925
Energy: -0.6398839195649096
Energy: -0.5459571822186416
Energy: -0.4502320870953534
Energy: -0.4443749421312095
Energy: -0.4504786466853038
Energy: -0.637431764810754
Energy: -0.45359418153757436
Energy: 0.4002182756069544
Energy: -0.463007568896677
Energy: -0.4374105473352447
Energy: -0.5213791767903926
Energy: -0.43304021581806473
Energy: -0.539631340916239
Energy: -0.6867509582870747
Energy: -0.5808717418027493
Energy: -0.46355930996330297
Energy: -0.5807899357198985
Energy: -0.32922777824212174
Energy: -0.3524770890690358
Energy: -0.4372195457116033
Energy: -0.34449155800930653
Energy: -0.2927526112481277
Energy: 0.3626771048158028
Energy: -0.6711203015567564
Energy: 0.3626771145529594
Energy: -0.47846186012711217
Energy: 0.4300794008786489
Energy: -0.5669585744603864
Energy: 0.4300794008822417
Energy: -0.4343017039489574
Energy: -0.7820454465066458
Energy: -0.6079134220893994
Energy: -0.8269025233471383
Energy: -0.05157112142783886
Energy: -0.7864212534749201
Energy: -0.5784758890221884
Energy: -0.776368471070265
Energy: 0.08633787336965013
Energy: -0.6299022275171045
Energy: -0.830491818493846
Energy: -0.6289857830294573
Energy: -0.28533150893421544
Energy: -0.22840111355314532
Energy: -0.5445865123702492
Energy: -0.22840115206126338

minimum gb energy = -0.8327901818921948 eV
minimum distance =  2.2297205228197 Angstroms
sigma value = 25


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

Energy: -0.40257376917676285
Energy: -1.3737647178470689
Energy: -1.145585763832625
Energy: -1.3643482343495057
Energy: -0.6835299597950099
Energy: -1.079311441570319
Energy: -1.266813945597008
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Energy: -1.266565967037146
Energy: -1.2392273585183489
Energy: -1.2665663739812576
Energy: -0.6697416624631963
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Energy: -0.602219127706101
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Energy: -0.9203545166486552
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Energy: -1.39864992826015
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Energy: -0.6891603520766534
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Energy: -0.9360326990693048
Energy: 0.2673082756741344
Energy: -0.647696593016987
Energy: 0.2673082756806807
Energy: -1.1933791859647611
Energy: -1.4397842055191368
Energy: -0.3545289608764261
Energy: -1.4397937449380724
Energy: -1.141429157405519
Energy: -0.5293698747609132
Energy: -0.595070142557879
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Energy: -1.1135880046324929
Energy: -0.08889270446159235
Energy: -0.8794760972136345
Energy: -0.08889270441950888
Energy: -0.7765969366574745
Energy: -0.40736343035723416
Energy: -0.5402648248700738
Energy: -0.40736343037126205
Energy: -1.0113285502434668
Energy: -0.36397386499210393
Energy: -0.8786978531332771
Energy: -0.3639694903420564
Energy: -1.023643415874582
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Energy: -0.563438057793128
Energy: 0.6006243965568828
Energy: -0.7632450046895947
Energy: 0.6378887234983274
Energy: -0.9239367139957889
Energy: 0.6378887235001978
Energy: -0.918650659415519
Energy: 0.664304280020824
Energy: -0.6460500949113137
Energy: 0.664304280020824
Energy: -0.6851228225526844
Energy: -0.040732382235191884
Energy: -1.0025698432600918
Energy: -0.04073354428618284
Energy: -0.5658988584465239
Energy: 0.17798321132518302
Energy: -0.8599223206625317
Energy: 0.17798321187294827
Energy: -0.6957421855977413
Energy: -0.4840960297526969
Energy: -0.8520203101672498
Energy: -0.473547212395632
Energy: -0.7418657193980309
Energy: -1.252310917820766
Energy: -0.49283540811872606
Energy: -1.2523122162102605
Energy: -0.3179455425702264
Energy: -0.7342318217878756
Energy: -0.6722179420549244
Energy: -0.7342318454993615
Energy: -0.4127539781532706
Energy: -1.3372291376315424
Energy: -1.3966558341138187
Energy: -1.3372291376193848
Energy: -0.6473430291168594
Energy: -1.3831875591409217
Energy: -1.2716832706114258
Energy: -1.4049684818182482
Energy: -0.2422280538033613
Energy: -0.6662445986516526
Energy: -1.3283992632335435
Energy: -0.6662445984291627

minimum gb energy = -1.4397937449380724 eV
minimum distance =  2.25170495047859 Angstroms
sigma value = 41


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

Energy: -0.882490876648679
Energy: -1.0636952026455027
Energy: -2.314396147468628
Energy: -1.8808366197179136
Energy: -1.2687988954202882
Energy: -1.6438586520023868
Energy: -2.0162184575355546
Energy: -1.6438376713957943
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Energy: -2.1178566788435806
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Energy: -1.3209571874376784
Energy: 0.1374893564991662
Energy: -1.1345842474061092
Energy: -1.7838886474401603
Energy: -1.790042209902667
Energy: -1.781940377569075
Energy: -1.0340607605198437
Energy: -1.6036918857349436
Energy: -1.5541122834359282
Energy: -1.729217896345514
Energy: -1.5282209027584484
Energy: 0.666305094103617
Energy: -1.4359474686329918
Energy: 0.6663050941005503
Energy: -1.3441771463584813
Energy: 0.6384795921511477
Energy: -1.3265841960079277
Energy: 0.6384795921519142
Energy: -1.7082260057415946
Energy: -1.263917294263609
Energy: -1.3678594716338817
Energy: -1.2329427002417805
Energy: -1.607862286556041
Energy: -1.4405074699754494
Energy: -1.338376041866438
Energy: -1.5736205437033126
Energy: -1.6955457583063178
Energy: -0.7033025983153386
Energy: -1.381415335413841
Energy: -0.692018137559393
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Energy: -1.5025192847687687
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Energy: -1.9577578992835458
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Energy: -1.9577595322026742
Energy: -1.0683713777712085
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Energy: -0.5223428779271454
Energy: -1.5955205503236067
Energy: -1.2726085665515645
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Energy: -1.4860548749604707
Energy: -0.8684173944021888
Energy: -1.932099983031069
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Energy: -1.7008655139164948
Energy: -1.9415355283880413
Energy: 0.07224542332716789
Energy: 0.15226577726856383
Energy: 0.07224542324366719
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Energy: 0.08043789365797208
Energy: -0.8983080603381146
Energy: 0.08043789369013866
Energy: -1.6685993786174773
Energy: -0.567466166336059
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Energy: -1.1114537785278709
Energy: -1.4432446032034763
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Energy: 0.6583924045254164
Energy: -1.1179359146615508
Energy: 0.6583924045246496
Energy: -1.3771793718788916
Energy: -1.3066841688816344
Energy: -1.6454663682750106
Energy: -1.3067072945423983
Energy: -1.3156728312722363
Energy: -1.403533959281917
Energy: -1.7992341392980244
Energy: -1.3234687099685876
Energy: -0.9565444189476698
Energy: -1.5716852981208274
Energy: -1.42108741337365
Energy: -1.594782238067528
Energy: -1.1952334966949405
Energy: -1.5439942585853266
Energy: -1.634117219104426
Energy: -1.4636026355175082
Energy: -1.1290988555258283
Energy: 0.09176788829082594
Energy: -1.9646176667232615
Energy: 0.09176786242769942
Energy: 0.025698684820498773
Energy: -1.532288653160617
Energy: -1.170314214043862
Energy: -1.5322521502554414
Energy: -0.5467282477507988
Energy: -0.9782345685395585
Energy: -1.1165288987938229
Energy: -0.9782345524337483
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Energy: -1.845949849477514
Energy: -1.6025543813313778
Energy: -1.8459658888450354
Energy: -0.8089508228491427
Energy: -2.084887434760981
Energy: -1.0681053639766025
Energy: -2.084887431900176

minimum gb energy = -2.314396147468628 eV
minimum distance =  2.24287548559608 Angstroms
sigma value = 15


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

Energy: -1.412899958318989
Energy: -2.7840600805909754
Energy: -1.3842673061670165
Energy: -2.0879818237880543
Energy: -1.1744721952532113
Energy: -2.5335957027326783
Energy: -2.1442843394519087
Energy: -2.49079119624599
Energy: -1.1361943474698366
Energy: -1.425543880773743
Energy: -2.211195266068795
Energy: -1.4264999076206362
Energy: -1.383507546150763
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Energy: -1.5919490063811514
Energy: -2.0206451295926544
Energy: -2.0793279855650395
Energy: -2.0096371388257137
Energy: -1.5714999457752779
Energy: -2.029164864292514
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Energy: -1.6736604431852444
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Energy: -1.5552275252711136
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Energy: -1.4889864163540225
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Energy: -2.474128715099524
Energy: -1.6645333668385276
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Energy: -0.8042991317458589
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Energy: -1.6529382107261075
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Energy: -1.0958872790936671
Energy: -1.8276040205916337
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Energy: -1.2128139918100118
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Energy: -2.039137398202059
Energy: -2.366554779029586
Energy: -1.363907014783836
Energy: -2.5070353008137394
Energy: -1.581173763996855
Energy: -2.5099152292201827
Energy: -1.157749708607151
Energy: -2.2244245658838393
Energy: -0.8552627785753208
Energy: -2.224424565805309
Energy: -1.0999393812367437
Energy: -2.4890355651401186
Energy: -2.2271713637979236
Energy: -2.489035537679641
Energy: -1.1433827248551438
Energy: -2.4380824299889547
Energy: -1.9951910473975132
Energy: -2.4135833422556208

minimum gb energy = -2.7840600805909754 eV
minimum distance =  2.17949476248831 Angstroms
sigma value = 85


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

Energy: -0.1831543961699275
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Energy: -0.9581483085713999
Energy: -1.456821871076806
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Energy: -0.9868380559420606
Energy: -0.6378149871421704
Energy: -0.13970352810418127
Energy: -0.19664394456275014
Energy: -0.925945062197568
Energy: -0.1966438515769919
Energy: -0.42847039253723884
Energy: -0.5204885316331027
Energy: -1.1112656662372582
Energy: -0.5204884879600662
Energy: -0.18174373996283988
Energy: -1.0684368924268546
Energy: -1.3183882366553337
Energy: -1.0687230777526318
Energy: 0.07582939348974656
Energy: -1.33743334591397
Energy: -1.064623166201186
Energy: -1.3374333586105396
Energy: -0.23588525422395468
Energy: -1.413602884345648
Energy: -1.5258027235052756
Energy: -1.4136027720501236
Energy: -0.17619678602503183
Energy: -1.102382478689165
Energy: -1.136788977237504
Energy: -1.102382482256745
Energy: -0.26499935621185117
Energy: -1.3332156157457455
Energy: -1.4533429831940121
Energy: -1.3332156156201775

minimum gb energy = -1.5795380228683806 eV
minimum distance =  2.23201978613537 Angstroms
sigma value = 113


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

Energy: 0.016585815343087024
Energy: 0.27512464745848203
Energy: 1.2599400223124766
Energy: 0.2751252308641778
Energy: -3.687756307581559
Energy: -4.201649051281935
Energy: -3.3401733305564854
Energy: -2.54995774831786
Energy: -3.8489514011524726
Energy: -4.119452804073703
Energy: -3.2489226537397924
Energy: -4.064268190786197
Energy: 0.01797309389578139
Energy: -1.4132770313395735
Energy: -2.86232318634606
Energy: -1.6936093251895148
Energy: -3.9833992127332523
Energy: -2.754038197684842
Energy: -3.3023036637972725
Energy: -4.147948044870798
Energy: -3.196769495359803
Energy: -1.7476318065987368
Energy: -3.4187713176139374
Energy: -1.7476315616565443

minimum gb energy = -4.201649051281935 eV
minimum distance =  2.41023185853518 Angstroms
sigma value = 1