Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
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=[1.9931878415277001e-19, 2.7565128552643197e-19, 3.33936869294718e-19, 3.8156797844690396e-19, 4.21760181487428e-19, 4.56330346719246e-19, 4.864272347889359e-19, 5.12815083950916e-19, 5.36089903913034e-19, 5.5666826060012995e-19, 5.74849761042762e-19, 5.908955600322719e-19, 6.05015542707714e-19, 6.1739716373526595e-19, 6.28176608128818e-19, 6.37475641312554e-19, 6.45411222180756e-19, 6.52076276978196e-19, 6.57552516713208e-19, 6.61905630627786e-19, 6.651997057872899e-19, 6.6749081837391e-19, 6.688302380399339e-19, 6.69267632261016e-19, 6.687965923306199e-19, 6.67268115821784e-19, 6.644883393617939e-19, 6.602441734583279e-19, 6.54255237200436e-19, 6.46188277848246e-19, 6.356379447133559e-19, 6.22113971745762e-19, 6.05033166650688e-19, 5.836617325297619e-19, 5.57080019995068e-19, 5.24187333699048e-19, 4.83514477668324e-19, 4.3323657271677e-19, 3.7100322572230797e-19, 2.93763892373802e-19, 1.9753235720586001e-19, 7.69137710564772e-20, -7.53660684280332e-20, -2.69353129178178e-19, -5.19300694965348e-19, -8.457153449634358e-19, -1.279124952756678e-18, -1.86650373507732e-18, -2.682844773633e-18, -3.8537475012928795e-18, -5.6032602985555195e-18, -8.362160397004499e-18]
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: 0.01283546428926702
Energy: 0.0135487066978508
Energy: 0.3313323643974009
Energy: -0.3041228218354678
Energy: 0.0135487066978508
Energy: 0.30484231245955834
Energy: -0.28501280047158456
Energy: 0.30484231245955834
Energy: 0.33133234529130456
Energy: -0.2850127994049882
Energy: 0.2094765162290409
Energy: -0.2850127976087557
Energy: -0.3041204759311644
Energy: 0.30484231245858673
Energy: -0.28501280061616263
Energy: 0.30484231245858673

minimum gb energy = -0.3041228218354678 eV
minimum distance =  2.43882467460076 Angstroms
sigma value = 1


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

Energy: 1.8576846912713751
Energy: 0.9138356331693331
Energy: 0.8346636253902642
Energy: 0.8344904156858234
Energy: 2.0469633497329527
Energy: 0.8361844455067747
Energy: 0.835751487313216
Energy: 0.8361844455067747
Energy: 2.054812799902898
Energy: 0.8310264206122557
Energy: 0.8386934861259593
Energy: 0.8310264206110436
Energy: 2.0339860651497776
Energy: 0.8339722978561245
Energy: 0.851900505455334
Energy: 0.8339722978585485
Energy: 1.6020999390176822
Energy: 0.8331583288039447
Energy: 1.0261978217236107
Energy: 0.8331583288051568
Energy: 2.039494329925868
Energy: 0.8503619970935632
Energy: 1.0960794934111322
Energy: 0.8503619970935632
Energy: 1.606266219637874
Energy: 0.8347816670016258
Energy: 1.0973112778499974
Energy: 0.8347816670052619
Energy: 1.5881602213100465
Energy: 0.8344098145095638
Energy: 1.0944928233904545
Energy: 0.8344098145119878
Energy: 1.3088956040121333
Energy: 0.86295131102423
Energy: 1.0907606461012371
Energy: 0.862951311025442
Energy: 1.5934315405881119
Energy: 0.9132104732958672
Energy: 1.6060551348690928
Energy: 0.913210473291019
Energy: 1.508436067067585
Energy: 0.8665130979743393
Energy: 1.4551460960228764
Energy: 0.8665130979755514
Energy: 1.065722444343075
Energy: 0.8370116562423532
Energy: 1.5908369088606957
Energy: 0.837011656238717
Energy: 1.1033088113612828
Energy: 0.913662072930768
Energy: 1.6050797437340933
Energy: 0.9136620729174907
Energy: 1.0950322413875617
Energy: 0.8315677312365934
Energy: 2.0268466489268415
Energy: 0.8315677312353813
Energy: 1.0894135663747702
Energy: 0.8339021149684994
Energy: 1.7483764425996198
Energy: 0.8339021149709235
Energy: 0.8778435329638957
Energy: 0.8761007646800995
Energy: 2.040148797810014
Energy: 0.8761007646825235
Energy: 0.8379516717445713
Energy: 0.830678898626512
Energy: 2.043989749277013
Energy: 0.8306788986240878
Energy: 0.8348119052940862
Energy: 0.8368723492530247
Energy: 2.0392410788214126
Energy: 0.8368723492554488
Energy: 0.8335577497771269
Energy: 0.8367753104020211
Energy: 1.865102632275877
Energy: 0.8367753103995971
Energy: 0.9207061148304863
Energy: 0.8509907629611378
Energy: 2.040674214122556
Energy: 0.8509907629611378
Energy: 0.9255556318830154
Energy: 0.8327944942783992
Energy: 1.904410009932714
Energy: 0.8327944942771872
Energy: 0.926109459020126
Energy: 0.8329534669890026
Energy: 1.8752321173545778
Energy: 0.8329534669865784
Energy: 0.9168650504438828
Energy: 0.8516830343797971
Energy: 1.6001780782206085
Energy: 0.8516830343761608
Energy: 1.3157235105386818
Energy: 0.8460462875646199
Energy: 1.894249563179459
Energy: 0.8460462875634078
Energy: 1.322990740398566
Energy: 0.9274549126355575
Energy: 1.519387392887743
Energy: 0.9274549126367695
Energy: 1.3202701055965975
Energy: 0.9398424059985637
Energy: 1.3150035764360248
Energy: 0.9398424059997758
Energy: 1.3210687973432267
Energy: 0.8438714312082749
Energy: 1.3107055930384934
Energy: 0.8438714312058506
Energy: 1.8980403166824142
Energy: 0.8351205363288874
Energy: 1.3123265234573025
Energy: 0.8351205363422198
Energy: 1.7429318554573685
Energy: 0.852365224585109
Energy: 1.314715408525385
Energy: 0.8523652245838971
Energy: 1.7345173437699417
Energy: 0.8469214272863527
Energy: 0.9165252775400218
Energy: 0.8469214272863527
Energy: 1.883805164873656
Energy: 0.83396324920569
Energy: 0.925790300016872
Energy: 0.8339632492093261
Energy: 2.0465504698415
Energy: 0.8343176846402242
Energy: 0.9188923399157121
Energy: 0.8343176846365881
Energy: 2.019301270394523
Energy: 0.835555485099635
Energy: 0.9124789246845789
Energy: 0.8355554850972109

minimum gb energy = 0.8306788986240878 eV
minimum distance =  2.35607484031703 Angstroms
sigma value = 1


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

Energy: 2.9894721764873204
Energy: 0.9178413595876388
Energy: 0.9599054818165259
Energy: 0.8974158131768839
Energy: 1.8909268836201223
Energy: 0.8982631406792462
Energy: 0.898752199200623
Energy: 0.8982631406792462
Energy: 1.9500978993063396
Energy: 0.8960190586433134
Energy: 0.8952463372416196
Energy: 0.8960190586391675
Energy: 1.911641620970466
Energy: 0.8967125419227806
Energy: 0.9275836338177132
Energy: 0.8967125419227806
Energy: 1.5885187171104638
Energy: 0.8974264179324815
Energy: 0.9595721258201666
Energy: 0.8974264179338634
Energy: 1.9240027525000472
Energy: 0.8975433970075198
Energy: 1.1000068597496022
Energy: 0.8975433970075198
Energy: 1.6001904668595177
Energy: 0.9970491465149975
Energy: 1.1258277812962212
Energy: 0.9970491465163795
Energy: 1.6254277454903718
Energy: 0.8956138158567153
Energy: 1.126050222208784
Energy: 0.8956138158553333
Energy: 1.619744356235668
Energy: 0.89774208353106
Energy: 1.3505075691629078
Energy: 0.89774208353106
Energy: 1.6176061126337211
Energy: 0.9955762536323506
Energy: 1.603629573792925
Energy: 0.9955762536351144
Energy: 1.3665159667825575
Energy: 0.8953574890888051
Energy: 1.2938001233474752
Energy: 0.8953574890888051
Energy: 1.1411054278955388
Energy: 0.9011593005645737
Energy: 1.2670160097340215
Energy: 0.9011593005631917
Energy: 1.1203745019344171
Energy: 1.0105830355064185
Energy: 1.6241666840599076
Energy: 1.0105830355078007
Energy: 1.0799319593850347
Energy: 0.896944132100016
Energy: 1.96837514477591
Energy: 0.896944132100016
Energy: 1.0995034504653867
Energy: 0.8967679293043245
Energy: 1.9234573316782964
Energy: 0.8967679293043245
Energy: 0.9261366225304074
Energy: 0.8946940436105592
Energy: 1.8854337173615303
Energy: 0.894694043613323
Energy: 0.8956463486947909
Energy: 0.8960063670617371
Energy: 1.9363527511944938
Energy: 0.8960063670631191
Energy: 0.8962619024734235
Energy: 0.8972217984460892
Energy: 1.947868891280416
Energy: 0.8972217984460892
Energy: 0.8966489028553292
Energy: 0.8966145719035974
Energy: 1.5922502230867037
Energy: 0.8966145719063614
Energy: 1.089418946668574
Energy: 0.8967936480150853
Energy: 1.9345408440321143
Energy: 0.8967936480150853
Energy: 1.1235328323457985
Energy: 0.8961998543897997
Energy: 1.6093990396679585
Energy: 0.8961998543870359
Energy: 1.1244150236588681
Energy: 0.897139182818497
Energy: 1.622593692342553
Energy: 0.897139182817115
Energy: 1.0818703764356419
Energy: 0.8940512523213545
Energy: 1.6239846242177172
Energy: 0.8940512523227365
Energy: 1.6065227825261177
Energy: 0.9947036447540104
Energy: 1.6157058537088684
Energy: 0.9947036447526284
Energy: 1.2626270050114379
Energy: 0.896933421790422
Energy: 1.3459415466097204
Energy: 0.8969334217890401
Energy: 1.2788322983399059
Energy: 0.8982084497222403
Energy: 1.0993166096158844
Energy: 0.8982084497236223
Energy: 1.6229020208906737
Energy: 1.0113388220667174
Energy: 1.1205973951069939
Energy: 1.0113388220625714
Energy: 1.9702820901079257
Energy: 0.9253971614090571
Energy: 1.0974947932508812
Energy: 0.9253971614076751
Energy: 1.9142075750639285
Energy: 0.8953786894942739
Energy: 1.0980658867235322
Energy: 0.8953786894942739

minimum gb energy = 0.8940512523213545 eV
minimum distance =  2.36240130290844 Angstroms
sigma value = 25


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

Energy: 1.8724880416514933
Energy: 0.963474504035898
Energy: 0.9247211137839723
Energy: 0.9499960675070699
Energy: 1.747457605960432
Energy: 0.9417244218362939
Energy: 0.9441998637354869
Energy: 0.9417244190968572
Energy: 1.6755776635177246
Energy: 0.9223844633210324
Energy: 0.9297736365084782
Energy: 0.9223844630448288
Energy: 1.7542324709430093
Energy: 0.9400706370505666
Energy: 0.9346771742362826
Energy: 0.9400706370891219
Energy: 1.5619810720843152
Energy: 0.94225920860004
Energy: 1.1218665741030505
Energy: 0.9422592085952205
Energy: 1.7341542636296472
Energy: 0.9714829739380862
Energy: 1.2859541584064715
Energy: 0.97148297410348
Energy: 1.2866645424895142
Energy: 1.0230087221762003
Energy: 1.2737031758075992
Energy: 1.0230087221778068
Energy: 1.2596030923992452
Energy: 1.0224567717627961
Energy: 1.305136697878232
Energy: 1.0224582629669579
Energy: 1.2832398415955062
Energy: 1.0656292917578645
Energy: 1.2739385269968664
Energy: 1.065629291759471
Energy: 1.2618302040674976
Energy: 0.9511970603012116
Energy: 1.7226060745191953
Energy: 0.9511970602996053
Energy: 1.1304047049954051
Energy: 0.9684378847899974
Energy: 1.7137689310978388
Energy: 0.968437884635849
Energy: 1.001911747305993
Energy: 0.941608908230767
Energy: 1.7096314093621858
Energy: 0.9416089082435822
Energy: 0.9232524171272234
Energy: 0.9321619917255263
Energy: 1.6811733953372119
Energy: 0.9321619916388132
Energy: 0.9549869929470598
Energy: 0.9456483638637161
Energy: 1.7337787535429796
Energy: 0.9456481886192101
Energy: 0.9100168882103207
Energy: 0.9244523534459319
Energy: 1.5538480539296375
Energy: 0.9244523534619966
Energy: 1.0380509613743654
Energy: 0.9429889846396684
Energy: 1.6624219065695365
Energy: 0.9429889846428813
Energy: 1.057830077039493
Energy: 0.9505294053848568
Energy: 1.7160123835073584
Energy: 0.9505294053848568
Energy: 1.0522239085637248
Energy: 0.9368476786252994
Energy: 1.568555566996718
Energy: 0.936847678623693
Energy: 1.0356959326817183
Energy: 0.9264730927878339
Energy: 1.3115031761423253
Energy: 0.926473093292047
Energy: 1.5359521788917916
Energy: 1.0467409530750469
Energy: 1.5881288597282608
Energy: 1.04674095400158
Energy: 1.4039366878534352
Energy: 1.002367036848522
Energy: 1.5824311760170717
Energy: 1.002367036464721
Energy: 1.4164944265632768
Energy: 0.9582790574107235
Energy: 1.079932272801933
Energy: 0.9582790574107235
Energy: 1.5634579409491003
Energy: 0.9411748313153737
Energy: 1.049338501652836
Energy: 0.9411748313137672
Energy: 1.7485072804372428
Energy: 1.0073975491325329
Energy: 1.085421751349312
Energy: 1.0073975491277136
Energy: 1.66401355766883
Energy: 0.9419658587734948
Energy: 1.0244522436229526
Energy: 0.9419658587654625

minimum gb energy = 0.9100168882103207 eV
minimum distance =  2.36050747377446 Angstroms
sigma value = 9


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

Energy: 2.6795469743261244
Energy: 0.9680608582062794
Energy: 0.9837111178923704
Energy: 1.061253553336968
Energy: 1.460688242383215
Energy: 1.0065412533832545
Energy: 1.0067939663176724
Energy: 1.0065440254893063
Energy: 1.3962003821651485
Energy: 0.9826038524019429
Energy: 1.0006457831241633
Energy: 0.9826039442740527
Energy: 1.3380287718360981
Energy: 0.9970682516290058
Energy: 0.92058854022482
Energy: 0.9970681852914313
Energy: 1.2669470110696572
Energy: 0.9963282025327432
Energy: 1.0325414936439492
Energy: 0.9963282024042134
Energy: 1.3884397502609995
Energy: 1.0398447350893187
Energy: 1.0467432680540756
Energy: 1.0398447350877942
Energy: 1.4418446760554826
Energy: 1.0637371614834168
Energy: 1.027129773240547
Energy: 1.0637371618807006
Energy: 1.3520314993956284
Energy: 0.9964064822944492
Energy: 1.0824480380244064
Energy: 1.0001875224482462
Energy: 1.373756630855265
Energy: 1.0956813292785947
Energy: 1.0279994183588317
Energy: 1.0956813292921836
Energy: 1.3507709110877992
Energy: 1.0627084556283197
Energy: 1.4732321128767527
Energy: 1.0627084554858088
Energy: 1.4150022168767784
Energy: 0.9664873078243578
Energy: 1.5523211119691016
Energy: 0.9664872163372928
Energy: 1.0937441940825894
Energy: 0.9744344644577857
Energy: 1.500195880097952
Energy: 0.9744344643685204
Energy: 1.073539363783177
Energy: 0.9159581113556403
Energy: 1.5215584660452102
Energy: 0.915957186403827
Energy: 1.1460897984538674
Energy: 1.0231160064786664
Energy: 1.3051660948599684
Energy: 1.0231160065188893
Energy: 1.0300378750670316
Energy: 0.9367628263504245
Energy: 1.2645203361487403
Energy: 0.9183029351075943
Energy: 1.367356545892683
Energy: 1.031671423105941
Energy: 1.2836680605532231
Energy: 1.0316714231212722
Energy: 1.0777764497707103
Energy: 1.1332422746821915
Energy: 1.2806055183826817
Energy: 1.1332422796379291
Energy: 1.0223239638189312
Energy: 1.1488565017237409
Energy: 1.2737859874012205
Energy: 1.1488565017175996
Energy: 1.3477483817763534
Energy: 1.103281193209853
Energy: 1.3207284339115832
Energy: 1.1032936257579191
Energy: 1.4555387456377837
Energy: 1.1399618058330105
Energy: 1.2393605759871567
Energy: 1.1399618059605823
Energy: 1.506944429769284
Energy: 1.0240127580534817
Energy: 1.2174991182631907
Energy: 1.024012758055398

minimum gb energy = 0.915957186403827 eV
minimum distance =  2.34739487329867 Angstroms
sigma value = 25


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

Energy: 1.2585736471666424
Energy: 1.2113616202383204
Energy: 1.2258301909474678
Energy: 1.1964709561500222
Energy: 1.1133465611177324
Energy: 1.1610516005139433
Energy: 1.1690047227313456
Energy: 1.1610516004893006
Energy: 1.3417242507429303
Energy: 1.1604439267340831
Energy: 1.1527123212608403
Energy: 1.1604439266499746
Energy: 1.2227932343474697
Energy: 1.1562368432922459
Energy: 1.2000982814935415
Energy: 1.156236728130725
Energy: 1.2485031143243377
Energy: 1.1869083883431293
Energy: 1.2096926446836402
Energy: 1.187513105341498
Energy: 1.3032604173671145
Energy: 1.2712049776269687
Energy: 1.1668385200513067
Energy: 1.271204977363063
Energy: 1.2649454632333832
Energy: 1.1899639106985649
Energy: 1.2896488678197076
Energy: 1.1963400915848015
Energy: 1.1070245621902717
Energy: 1.1677435333180592
Energy: 1.2596038376185947
Energy: 1.1677435317282694
Energy: 1.1921088071092285
Energy: 1.1673012378621932
Energy: 1.1825359171462857
Energy: 1.1673012378659906
Energy: 1.1697758849868434
Energy: 1.1710917004120582
Energy: 1.2762045450873298
Energy: 1.1710916999782932
Energy: 1.1930459759566172
Energy: 1.1999784668441091
Energy: 1.2530721060478602
Energy: 1.1999784661312758
Energy: 1.307401995758199
Energy: 1.1713402830401676
Energy: 1.263101078111979
Energy: 1.1713402829999042
Energy: 1.2871548520838934
Energy: 1.1508316164941652
Energy: 1.2453479164376768
Energy: 1.1508265443824723
Energy: 1.238345746086809
Energy: 1.1503626754737135
Energy: 1.2527515637608395
Energy: 1.1503639200218496
Energy: 1.2938657629261439
Energy: 1.2371084210814325
Energy: 1.2706199021752071
Energy: 1.2357411254551134
Energy: 1.2576965416845418
Energy: 1.163501859751137
Energy: 1.260736470488879
Energy: 1.1635018597397722
Energy: 1.139690015365249
Energy: 1.122583752975788
Energy: 1.2903263781116985
Energy: 1.1225837530679492

minimum gb energy = 1.1070245621902717 eV
minimum distance =  2.37561620687334 Angstroms
sigma value = 17


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

Energy: 1.3932493134681316
Energy: 1.3161691993762887
Energy: 1.338811781915567
Energy: 1.328341899211891
Energy: 1.244920233633329
Energy: 1.1835397186064618
Energy: 1.188597576251097
Energy: 1.1835397186346186
Energy: 1.2818406490197638
Energy: 1.3308832914693576
Energy: 1.325258744773611
Energy: 1.3308832914706998
Energy: 1.3652436573253262
Energy: 1.3320266653572546
Energy: 1.3344956497716136
Energy: 1.3320266653559125
Energy: 1.3981753416687173
Energy: 1.3469149887671443
Energy: 1.252658084966549
Energy: 1.3469149887818788
Energy: 1.2627826748704511
Energy: 1.304151428439722
Energy: 1.2271647148670488
Energy: 1.304151428445091
Energy: 1.3463432330495484
Energy: 1.2222169942366545
Energy: 1.2859758477698346
Energy: 1.222216994240681
Energy: 1.2223621470558226
Energy: 1.211899810502219
Energy: 1.328797651741569
Energy: 1.2118998109167936
Energy: 1.2299112082444357
Energy: 1.3303231084283205
Energy: 1.2715092074644014
Energy: 1.330323108425636
Energy: 1.2871915596089532
Energy: 1.2825456850143342
Energy: 1.284926308790112
Energy: 1.2825456853779338
Energy: 1.2039830598392929
Energy: 1.2781046776744664
Energy: 1.314809148119247
Energy: 1.278104677657017
Energy: 1.2557745552629347
Energy: 1.2754137292520498
Energy: 1.31112183667189
Energy: 1.2754137290414067
Energy: 1.3105332525820277
Energy: 1.2842260687265732
Energy: 1.211166523418867
Energy: 1.2842260691438323
Energy: 1.3073967661712484
Energy: 1.2956738200767546
Energy: 1.2172975783574973
Energy: 1.295673820079439
Energy: 1.2535101749778077
Energy: 1.2964600472168686
Energy: 1.2904994078233458
Energy: 1.296460047215526
Energy: 1.2548072361639195
Energy: 1.2817170006843241
Energy: 1.2252881801167217
Energy: 1.2817170006802974
Energy: 1.2460159746805044
Energy: 1.2113023387524675
Energy: 1.1777105502446021
Energy: 1.2113023377354932
Energy: 1.3063656309544585
Energy: 1.2176653635392614
Energy: 1.3171525138629872
Energy: 1.2176653638706774
Energy: 1.2729650172015794
Energy: 1.3960282500588126
Energy: 1.340300259332196
Energy: 1.3960282500575008
Energy: 1.1844274289757672
Energy: 1.341532788636785
Energy: 1.3920692606178073
Energy: 1.3415328022466149
Energy: 1.3307619950401397
Energy: 1.3322036620737543
Energy: 1.2962393557743759
Energy: 1.3322036620737543
Energy: 1.1796444906815606
Energy: 1.333446859599907
Energy: 1.3134239159890788
Energy: 1.3334468596039335
Energy: 1.1748213713426767
Energy: 1.1733991092532459
Energy: 1.256026384129331
Energy: 1.1733991090077345
Energy: 1.4013360379384783
Energy: 1.3317843669119558
Energy: 1.2853278709093081
Energy: 1.3317843669119558
Energy: 1.2296331465915689
Energy: 1.1359373360829694
Energy: 1.310695144705858
Energy: 1.1359395024614334
Energy: 1.3749085149503744
Energy: 1.330664457997348
Energy: 1.3338306609693882
Energy: 1.33066445799869
Energy: 1.3781016077684407
Energy: 1.3981395054626364
Energy: 1.3537631326370732
Energy: 1.3981395054532406
Energy: 1.3223115219602222
Energy: 1.3316886043265217
Energy: 1.363473532091154
Energy: 1.331688604327864
Energy: 1.3164621383087989
Energy: 1.1331164297035592
Energy: 1.270820158560893
Energy: 1.1331164301650825
Energy: 1.257732719028469
Energy: 1.3320723395426424
Energy: 1.3979906300880969
Energy: 1.3320723395439844

minimum gb energy = 1.1331164297035592 eV
minimum distance =  2.3551252501379 Angstroms
sigma value = 53


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

Energy: 1.483259975466587
Energy: 1.4907241725797424
Energy: -0.02623878608054686
Energy: -0.19619438952879395
Energy: -0.6382392141939978
Energy: 1.5611469533978448
Energy: 0.886713609252775
Energy: 1.561146953868279
Energy: -0.08445785078381357
Energy: 0.8060116215631106
Energy: -0.19585787168834587
Energy: 1.0493219510219247
Energy: -0.08076581246922214
Energy: -0.1903210220916319
Energy: 0.9262090499308302
Energy: -0.1578672338882421
Energy: -0.12981674873090068
Energy: 1.32822226453372
Energy: 1.0498308086016848
Energy: 1.3282222645201307
Energy: -0.07001847297488305
Energy: 1.347837236512857
Energy: 1.0631419413183534
Energy: 1.3478372365079059
Energy: -0.13053290834842612
Energy: 0.8119404179249328
Energy: -0.6340313996219399
Energy: -0.17899554128272172
Energy: -0.16047279135367862
Energy: -0.18012104152373862
Energy: -0.6528257712370528
Energy: -0.16185504394063388
Energy: 0.9868082160356836
Energy: -0.1889022021231911
Energy: -0.03931649611813701
Energy: 1.0055482377561098
Energy: -0.1101471940474095
Energy: -0.22337860631957432
Energy: -0.13081900240716499
Energy: -0.19337379001881047
Energy: -0.18669141431205294
Energy: 1.3504301014859845
Energy: 0.9734858830917154
Energy: 1.3504301015067022
Energy: -0.13118948983859055
Energy: -0.1258385738349036
Energy: -0.1179194033147335
Energy: -0.15334563637066506
Energy: -0.6117639536978446
Energy: -0.19399131385563895
Energy: -0.10509154175617215
Energy: -0.1934144904541469

minimum gb energy = -0.6528257712370528 eV
minimum distance =  2.41743456581946 Angstroms
sigma value = 9


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

Energy: 1.4286099848779237
Energy: 1.2871727678882428
Energy: 1.346655964482394
Energy: 1.349578586286737
Energy: 1.3755884589038165
Energy: 1.3691572048217966
Energy: 1.278215924128798
Energy: 1.3691572046846046
Energy: 1.2737481084749798
Energy: 1.4976188191106243
Energy: 1.326813182282257
Energy: 1.497618819108337
Energy: 1.363442408788668
Energy: 1.4981280258802387
Energy: 1.314050488773527
Energy: 1.4981280258802387
Energy: 1.4076780880233668
Energy: 1.5101934291763484
Energy: 1.2953913537019686
Energy: 1.5101934291763484
Energy: 1.2825272887234653
Energy: 1.450881866644956
Energy: 1.3453985019800891
Energy: 1.4508818666426688
Energy: 1.2622642898363015
Energy: 1.2572244638700425
Energy: 1.3919415686499297
Energy: 1.2572244635716925
Energy: 1.3223196646850481
Energy: 1.2593040214767908
Energy: 1.361544227105119
Energy: 1.2593039862835391
Energy: 1.3729163805645552
Energy: 1.416991475784177
Energy: 1.3308222951895479
Energy: 1.4169914757818898
Energy: 1.4026341864702843
Energy: 1.3846998983484908
Energy: 1.2870739238181848
Energy: 1.3846998983507783
Energy: 1.3529709128495713
Energy: 1.4127163586700835
Energy: 1.3988923680545775
Energy: 1.412716358667796
Energy: 1.339741776134291
Energy: 1.3700313659335814
Energy: 1.272916028592805
Energy: 1.3700313659370125
Energy: 1.3799116243276028
Energy: 1.2447889278755153
Energy: 1.2934172433373046
Energy: 1.2447889210597827
Energy: 1.40418670460384
Energy: 1.290221252740172
Energy: 1.4085880641764528
Energy: 1.2902212526109857
Energy: 1.3657643379615778
Energy: 1.3867143908324548
Energy: 1.368121960226755
Energy: 1.386714390831311
Energy: 1.355973159124921
Energy: 1.3546924729937706
Energy: 1.4754781489889401
Energy: 1.3546924729823338
Energy: 1.3525469302426503
Energy: 1.3506680526300152
Energy: 1.4036832601333236
Energy: 1.3506680526208656
Energy: 1.2811021643193705
Energy: 1.2321796704161967
Energy: 1.3203808438217914
Energy: 1.2321796703978973
Energy: 1.313200705840625
Energy: 1.3105839802524375
Energy: 1.385661935666487
Energy: 1.3105839802615868
Energy: 1.2823880533853278
Energy: 1.3165968414675133
Energy: 1.4196050198466148
Energy: 1.316596841468657
Energy: 1.389198417799657
Energy: 1.313664651195402
Energy: 1.3830016754048178
Energy: 1.3136646512079828
Energy: 1.3861307968168886
Energy: 1.3158074959112365
Energy: 1.3931765535445333
Energy: 1.31580749591238
Energy: 1.3692352035779196
Energy: 1.316696049969239
Energy: 1.2604772215623485
Energy: 1.316696049969239
Energy: 1.3860013439328447
Energy: 1.326437209723226
Energy: 1.3133234744667603
Energy: 1.3264372097060706
Energy: 1.3866708284650755
Energy: 1.349112423833669
Energy: 1.3425942394960886
Energy: 1.3491124238325252
Energy: 1.4074148459567815
Energy: 1.35479546415632
Energy: 1.2528736951548507
Energy: 1.35479546415632
Energy: 1.37398734435321
Energy: 1.3511841453590547
Energy: 1.3929935675493743
Energy: 1.3511841453613422
Energy: 1.3910179862602983
Energy: 1.253326334698391
Energy: 1.3400261141445502
Energy: 1.2533263346561259
Energy: 1.2822130644389262
Energy: 1.292965224161477
Energy: 1.3774998393580349
Energy: 1.2929652241626206
Energy: 1.274456232418147
Energy: 1.2679295786276588
Energy: 1.3872629370178433
Energy: 1.2679295744664052
Energy: 1.3018074135412783
Energy: 1.4156361341314279
Energy: 1.3514120463116395
Energy: 1.415636134130284
Energy: 1.3146112487528268
Energy: 1.4176027469453034
Energy: 1.3432357015801737
Energy: 1.4176027469453034
Energy: 1.351085381651124
Energy: 1.424173101085443
Energy: 1.4373281775240319
Energy: 1.424173101092305
Energy: 1.3324328227368967
Energy: 1.29779922808298
Energy: 1.291457333039127
Energy: 1.297799228110377
Energy: 1.3906068927521267
Energy: 1.2723035817725519
Energy: 1.3585155558144877
Energy: 1.2723035818045756

minimum gb energy = 1.2321796703978973 eV
minimum distance =  2.37866528606753 Angstroms
sigma value = 73


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

Energy: 1.5021665310803596
Energy: 1.2259623858782933
Energy: 1.2280631530587809
Energy: 1.3294961433438708
Energy: 1.2887921464663759
Energy: 1.3528599523668683
Energy: 1.223381204215932
Energy: 1.353201180634946
Energy: 1.1341469937772701
Energy: 1.445037857743167
Energy: 1.158119086762196
Energy: 1.4450378577435175
Energy: 1.3191740392006697
Energy: 1.4252971588819179
Energy: 1.4220794583662053
Energy: 1.4252988162369886
Energy: 1.210742565332803
Energy: 1.451685639152811
Energy: 1.1486923516658947
Energy: 1.4516856390753616
Energy: 0.9314876077786646
Energy: 1.3796967134453582
Energy: 1.2387130583082793
Energy: 1.3796967078807145
Energy: 0.9535682241993849
Energy: 1.1096344527034407
Energy: 1.2652234356716419
Energy: 1.068810485995194
Energy: 1.2653342669340588
Energy: 1.0690155139410589
Energy: 1.2598372945438712
Energy: 1.1511516915654985
Energy: 1.2342414208285988
Energy: 1.3130374271700536
Energy: 1.1827781776816337
Energy: 1.313037427213954
Energy: 1.3144596111603115
Energy: 1.3071812727240502
Energy: 1.1438891138523348
Energy: 1.30718127169366
Energy: 1.2145401698258593
Energy: 1.3044817928929056
Energy: 1.3198758859001742
Energy: 1.304481786520219
Energy: 1.0500997359528608
Energy: 1.238055509474795
Energy: 1.092668327159197
Energy: 1.2380564850414892
Energy: 1.3935692014648218
Energy: 1.1611803521357817
Energy: 1.1225785872831604
Energy: 1.1611796073771343
Energy: 1.2967250491103492
Energy: 1.16363810808087
Energy: 1.3246678704737895
Energy: 1.1537060519351023
Energy: 1.316480066496132
Energy: 1.3378523410443643
Energy: 1.245665590850665
Energy: 1.3378525531580545
Energy: 1.2860987702076683
Energy: 1.1927378299600992
Energy: 1.4725750404791635
Energy: 1.1927524800360247
Energy: 1.2130500320281066
Energy: 1.249957142425997
Energy: 1.443413173575922
Energy: 1.249957142888157
Energy: 1.0890096273762542
Energy: 1.1868787594894916
Energy: 1.1632268966050532
Energy: 1.1863503626037557
Energy: 1.317497764981458
Energy: 1.305368165216975
Energy: 1.2377246465340355
Energy: 1.3053681652088303
Energy: 1.182965785506984
Energy: 1.2742541198748352
Energy: 1.3614672461264319
Energy: 1.2742539150035288
Energy: 1.2989197720698975
Energy: 1.2633539581749298
Energy: 1.1475406157219814
Energy: 1.2627541670038946
Energy: 0.942757865686717
Energy: 1.0529936002823308
Energy: 1.2029872456649762
Energy: 1.102857370757828

minimum gb energy = 0.9314876077786646 eV
minimum distance =  2.38466165594519 Angstroms
sigma value = 7


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

Energy: 2.8037463657550603
Energy: 1.321173258411518
Energy: 1.3716038208872379
Energy: 1.3268660521597846
Energy: 1.328047779029734
Energy: 1.3069435497764832
Energy: 1.3074646045076346
Energy: 1.3069435495430468
Energy: 1.2919151710926124
Energy: 1.3162559876329782
Energy: 1.3429504742549752
Energy: 1.3162559876381106
Energy: 1.4064595679545597
Energy: 1.3298150067946024
Energy: 1.3925267300460242
Energy: 1.3298150067881869
Energy: 1.3885767752198037
Energy: 1.3270415607761155
Energy: 1.3802469090773914
Energy: 1.3270415607850974
Energy: 1.2764818881356126
Energy: 1.3139804137009603
Energy: 1.4229856678566775
Energy: 1.3139804137291884
Energy: 1.2424477961486768
Energy: 1.2764950488837126
Energy: 1.4558678696841707
Energy: 1.2764950526351144
Energy: 1.2954576680148346
Energy: 1.2615291001038367
Energy: 1.4633145357386173
Energy: 1.2615290997498472
Energy: 1.350852121077693
Energy: 1.255528027123517
Energy: 1.3533676270137274
Energy: 1.2555280260115662
Energy: 1.5228187253894592
Energy: 1.2833825900131657
Energy: 1.2812514384261304
Energy: 1.2833825900105995
Energy: 1.4741388950737842
Energy: 1.273075729073336
Energy: 1.2572445054914572
Energy: 1.2730757296658655
Energy: 1.3481471940933218
Energy: 1.334785686196702
Energy: 1.2801900581944547
Energy: 1.3347856862031175
Energy: 1.5683888529207857
Energy: 1.345747601234572
Energy: 1.3479325305610719
Energy: 1.3457476013140948
Energy: 1.5630842212309908
Energy: 1.3436860560688415
Energy: 1.3756054574771692
Energy: 1.3436860561650155
Energy: 1.3915461478064737
Energy: 1.2651428107961569
Energy: 1.2749151165686416
Energy: 1.2651428112078567
Energy: 1.382871234124709
Energy: 1.2745437569673934
Energy: 1.2492641765174788
Energy: 1.2745437297521396
Energy: 1.3472931557173764
Energy: 1.2826996722315451
Energy: 1.2787832409077964
Energy: 1.2826996722738584
Energy: 1.3871148754665614
Energy: 1.3567984282452739
Energy: 1.3860228846702185
Energy: 1.3567984282414243
Energy: 1.3834315996555064
Energy: 1.37477565491393
Energy: 1.3814980375433905
Energy: 1.3747756549254777
Energy: 1.39696745210142
Energy: 1.373253814086525
Energy: 1.4175437755182825
Energy: 1.3732538141185733
Energy: 1.3483623280187662
Energy: 1.3949288936779014
Energy: 1.3008536564767388
Energy: 1.3949288936676658
Energy: 1.4567983948011836
Energy: 1.274387761222131
Energy: 1.3014206425356376
Energy: 1.2745112526446507
Energy: 1.441955274121044
Energy: 1.2563065843766739
Energy: 1.3833812773072094
Energy: 1.256306039524966
Energy: 1.3465705469829599
Energy: 1.2600901136231248
Energy: 1.316103886283487
Energy: 1.260090113611577
Energy: 1.2992130623638403
Energy: 1.248541544739862
Energy: 1.5366121869355278
Energy: 1.248541544748844
Energy: 1.2537100810934585
Energy: 1.2133730549278026
Energy: 1.5961719021774712
Energy: 1.213373054789286
Energy: 1.2436888717218972
Energy: 1.2744280605798002
Energy: 1.3702649656079555
Energy: 1.2744280605849325
Energy: 1.2484750732724583
Energy: 1.2661379640579318
Energy: 1.3976873968228087
Energy: 1.2661379640246002
Energy: 1.2599300701236764
Energy: 1.269188058599448
Energy: 1.5582335272798193
Energy: 1.2691880582685542
Energy: 1.2656942509709252
Energy: 1.2745099731410368
Energy: 1.4242476151803074
Energy: 1.2745099731025435
Energy: 1.3178192181988566
Energy: 1.2932127826675583
Energy: 1.3213031286000854
Energy: 1.2932127826367639

minimum gb energy = 1.213373054789286 eV
minimum distance =  2.37430972472391 Angstroms
sigma value = 29


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

Energy: 1.5395467539593022
Energy: 0.3878699102082343
Energy: 0.35173271940542494
Energy: 0.35058851875303954
Energy: 1.4864523631219775
Energy: 0.4675932067434139
Energy: 0.3741084551132075
Energy: 0.746524608064757
Energy: 0.7505102728242613
Energy: 0.9421754017604251
Energy: 0.7378912551900302
Energy: 0.9898080684465649
Energy: 1.1252954413423433
Energy: 0.9749153078566528
Energy: 0.3537901948371501
Energy: 0.9851519498863843
Energy: 1.1637120328934443
Energy: 0.9818537769445114
Energy: 0.6679915444522878
Energy: 0.9350093892388465
Energy: 0.30628677702324164
Energy: 0.44731367849438647
Energy: 0.3423531882264786
Energy: 0.4681067983191999
Energy: 0.308169283886782
Energy: 0.31932009350649476
Energy: 0.1711387853932713
Energy: 0.38076559833238094
Energy: 0.29212347544872863
Energy: 0.4704028087377734
Energy: 0.325850408815202
Energy: 0.4802231411747231
Energy: 1.417304423959561
Energy: 0.9789443763250314
Energy: 0.29622183708015054
Energy: 0.8350593976277251

minimum gb energy = 0.1711387853932713 eV
minimum distance =  2.38494158107977 Angstroms
sigma value = 5


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

Energy: 1.4869843739539874
Energy: 1.2956404117166636
Energy: 1.3608943174616366
Energy: 1.3237901229249767
Energy: 1.0457348524881984
Energy: 0.97077004975264
Energy: 1.3704083102401743
Energy: 0.9707700497913702
Energy: 0.9695388541321824
Energy: 0.971070180097503
Energy: 1.4519563668356423
Energy: 0.9710701799399927
Energy: 0.9581838259182093
Energy: 0.9595003685713721
Energy: 1.375787152624436
Energy: 0.9595003702941236
Energy: 0.962632844421249
Energy: 0.9740150901596011
Energy: 1.2300023783523668
Energy: 0.9740150901620253
Energy: 1.09664493206451
Energy: 1.0757928376852368
Energy: 1.3732918303603505
Energy: 1.0757928377251789
Energy: 1.0769603555309282
Energy: 1.0659893732199608
Energy: 1.370538624579617
Energy: 1.0659893732187489
Energy: 1.1160704981663527
Energy: 1.063515551317186
Energy: 1.3642273152253828
Energy: 1.0635155516031174
Energy: 1.1145620380133816
Energy: 1.0653340995010878
Energy: 1.1635509970774
Energy: 1.0653340994901792
Energy: 1.4352852617465048
Energy: 1.1583944742565881
Energy: 1.179077581584525
Energy: 1.1583944724938946
Energy: 1.1933755697233297
Energy: 1.053284767315082
Energy: 1.2492543136652015
Energy: 1.0532847670946006
Energy: 1.2671975578878751
Energy: 1.0720716171675388
Energy: 1.4757855936536477
Energy: 1.0720716177878284
Energy: 1.1704704791273723
Energy: 1.161082873563284
Energy: 1.4718645645345354
Energy: 1.1610828732737164
Energy: 1.1389496425784273
Energy: 1.0705547652302285
Energy: 1.1034789399745135
Energy: 1.0705547652023515
Energy: 1.3682737821499407
Energy: 1.0474806418401668
Energy: 1.110871619771881
Energy: 1.047480642934144
Energy: 1.3535952489996395
Energy: 1.0572980273004535
Energy: 1.1092753456507938
Energy: 1.0572981237264352
Energy: 1.21717363888698
Energy: 1.0615516749406106
Energy: 1.1026701661604335
Energy: 1.0615516749914613
Energy: 1.4591272891151326
Energy: 0.9345025949665622
Energy: 0.9599843906353316
Energy: 0.9345025143264817
Energy: 1.4734905551796884
Energy: 0.9556487888946532
Energy: 0.964535578197604
Energy: 0.9556487888449595
Energy: 1.2029846341443338
Energy: 0.9597242993526253
Energy: 0.9426772121428196
Energy: 0.9597242992738978
Energy: 1.3418915907094848
Energy: 1.1149427399362912
Energy: 1.4001053715514753
Energy: 1.1149427398902336
Energy: 1.442602912624646
Energy: 1.333487291860387
Energy: 1.322444471540937
Energy: 1.3334893690746163
Energy: 1.439948373866698
Energy: 0.9692127308793566
Energy: 0.9771166113395306
Energy: 0.9692127309108697
Energy: 1.5028987777171057
Energy: 0.9741819238307683
Energy: 0.9857605859314178
Energy: 0.9741819239482812
Energy: 1.482076047854207
Energy: 0.9842969962836351
Energy: 0.9934443891837648
Energy: 0.9842969960413371
Energy: 1.2436533709939355
Energy: 1.1080340569346323
Energy: 0.9600954830089683
Energy: 1.1080341035314487
Energy: 1.24106410773143
Energy: 1.1222803710742442
Energy: 1.264255318744427
Energy: 1.1222803710584879
Energy: 1.235645796601554
Energy: 1.125722456311967
Energy: 1.2397458969801936
Energy: 1.1257224563059067
Energy: 0.9825772399873398
Energy: 1.1304072082635002
Energy: 1.0975684123405123
Energy: 1.1304072082477987
Energy: 0.9887304007281297
Energy: 1.0000340436125748
Energy: 1.4265055452370834
Energy: 1.0000340435737896
Energy: 0.99492165265928
Energy: 0.9998447923827979
Energy: 1.4285903473270747
Energy: 0.99984479238401
Energy: 0.9997524749279801
Energy: 0.9512231040295243
Energy: 1.389799987848777
Energy: 0.951223140012385
Energy: 1.1624376133607002
Energy: 1.3397021853378441
Energy: 1.4430081902645873
Energy: 1.3397021853390563

minimum gb energy = 0.9345025143264817 eV
minimum distance =  2.33084429009748 Angstroms
sigma value = 1


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

Energy: 1.6516643302962604
Energy: 0.8122478812884969
Energy: 1.0044754261020186
Energy: 0.965785839472102
Energy: 1.0946524125035622
Energy: 0.806077291253841
Energy: 1.0272223475951034
Energy: 0.806104883894746
Energy: 0.9313808951873404
Energy: 0.9055768438685614
Energy: 1.2597570450239213
Energy: 0.9055871769015043
Energy: 0.9928394672136931
Energy: 0.8911672483919612
Energy: 1.1529420498393865
Energy: 0.8911679369200175
Energy: 0.9818371853495006
Energy: 0.9396919219425703
Energy: 1.1737611954475828
Energy: 0.9396919212674701
Energy: 0.9009305547991873
Energy: 0.8826982223627956
Energy: 1.0981987403575557
Energy: 0.8446737364612594
Energy: 0.9487281640447602
Energy: 0.8397589413012595
Energy: 1.2640234005019373
Energy: 0.8664690948482988
Energy: 0.9615403581329931
Energy: 0.91226506270899
Energy: 1.1538737473544396
Energy: 0.9122650618027751
Energy: 0.7619618888508825
Energy: 0.8465118440956341
Energy: 1.1186277549581947
Energy: 0.8418419276847703
Energy: 1.1627909581908473
Energy: 1.2140962898856074
Energy: 1.1274400406145224
Energy: 1.2188063690063837
Energy: 0.6694465099887881
Energy: 0.7335695799412665
Energy: 1.106102105369625
Energy: 0.7335695802226947
Energy: 0.7743683422002215
Energy: 0.6973339956457065
Energy: 1.2271524778643748
Energy: 0.6973340039944386
Energy: 0.7072090052054097
Energy: 0.42642605238882497
Energy: 1.1679971665912439
Energy: 0.6052604685713375
Energy: 0.7472710638405061
Energy: 0.6517932064435775
Energy: 1.0572833921018343
Energy: 0.6623396148846654
Energy: 1.151980352761395
Energy: 1.1393541241309049
Energy: 1.1389704560778728
Energy: 1.1393541240973881
Energy: 1.1689676328120557
Energy: 1.0833984758129922
Energy: 1.2146403102060486
Energy: 1.0783929389475995
Energy: 1.1158715154721082
Energy: 0.9947924480493705
Energy: 1.0942028908030477
Energy: 0.9947913976586538
Energy: 1.157356410371366
Energy: 0.824999846309615
Energy: 0.9223347812166701
Energy: 0.8363731723535133
Energy: 1.2028090784778191
Energy: 0.7861944937652466
Energy: 0.9755155850607292
Energy: 0.8410814723664344
Energy: 1.040552464115047
Energy: 0.9312028321143845
Energy: 0.9316389449925349
Energy: 0.9312027738944727
Energy: 0.6612638969904188
Energy: 0.8220469102775788
Energy: 1.245067331017018
Energy: 0.8204142343823027
Energy: 0.918473611438555
Energy: 0.9780094999248486
Energy: 1.2691861268951623
Energy: 0.9186597688300271
Energy: 0.9559965194154639
Energy: 0.6959676435574975
Energy: 1.0771840638325576
Energy: 0.7169680646796506
Energy: 1.0006748865030293
Energy: 0.9680069772062222
Energy: 0.9966958999351357
Energy: 0.9680065393273247

minimum gb energy = 0.42642605238882497 eV
minimum distance =  2.36754502502624 Angstroms
sigma value = 17


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

Energy: 1.4301398951182411
Energy: 1.2340466843664901
Energy: 1.343316566070521
Energy: 1.3715738843411889
Energy: 0.9347240509306475
Energy: 0.9021049916075866
Energy: 1.1029075205600039
Energy: 0.9021049916200164
Energy: 0.8796490602903658
Energy: 0.9007725986937147
Energy: 1.2367321727645118
Energy: 0.9007725987123594
Energy: 0.8878538589450169
Energy: 0.8961384227246912
Energy: 1.3715771480296044
Energy: 0.8961384236347895
Energy: 0.906718240701261
Energy: 0.8870607570799621
Energy: 1.1127600117383973
Energy: 0.8870607559286621
Energy: 1.2035798888861793
Energy: 1.0915039625497973
Energy: 1.2047160783996862
Energy: 1.0915039624079388
Energy: 1.2072666157093739
Energy: 1.084617319040788
Energy: 1.2035890963781928
Energy: 1.0846173189517556
Energy: 1.209035703352509
Energy: 1.0976116232707223
Energy: 1.1821225975964922
Energy: 1.0976116231361615
Energy: 1.0902046943949586
Energy: 0.9026806166070971
Energy: 0.9028766696614525
Energy: 0.9026806166205625
Energy: 1.309746126900409
Energy: 0.9234536677505801
Energy: 0.88432050231811
Energy: 0.9234536677495442
Energy: 1.102702819612819
Energy: 0.9050057549578174
Energy: 0.8776344544152699
Energy: 0.9050057549609248
Energy: 1.291185310739965
Energy: 0.9723462273789021
Energy: 1.080288798715659
Energy: 0.9723462271811569
Energy: 1.4299427620038352
Energy: 1.2524526202610622
Energy: 1.0994884244359646
Energy: 1.2524526201337522
Energy: 1.0971808892907744
Energy: 0.8942435155352574
Energy: 0.8968065232890561
Energy: 0.8942435155394004
Energy: 1.365810416325863
Energy: 0.9402776188753914
Energy: 0.9228551001801061
Energy: 0.940277618909526
Energy: 1.1675783077194464
Energy: 0.9055350745387847
Energy: 0.9548269531570217
Energy: 0.9055350745408565
Energy: 1.108769115836677
Energy: 1.0495082685426267
Energy: 0.8980629835613102
Energy: 1.0495082684773709
Energy: 1.122252019697923
Energy: 1.0663721163520563
Energy: 1.2820471920810206
Energy: 1.0663721163292683
Energy: 1.09311325399416
Energy: 1.0395060541005021
Energy: 1.2699819858751338
Energy: 1.0395060540839292
Energy: 0.9967037231019032
Energy: 1.0450630521264495
Energy: 1.158820829167527
Energy: 1.0450630521544162
Energy: 0.9992748682776527
Energy: 1.0068710727389216
Energy: 1.344044622405768
Energy: 1.0068710727119907
Energy: 1.0084871855343578
Energy: 0.9854243835639108
Energy: 1.3431471770781978
Energy: 0.9854243859120866
Energy: 1.0162645141902806
Energy: 0.9816220840171624
Energy: 0.974384514692587
Energy: 0.9816220840213057
Energy: 1.2178939355675087
Energy: 1.1702684468494955
Energy: 1.155350275905893
Energy: 1.170268446845352
Energy: 1.1055076189808275
Energy: 0.9403073435804826
Energy: 1.1025128010141514
Energy: 0.9403073435804826
Energy: 1.0075683740696468
Energy: 0.9383459119198394
Energy: 0.996023756805798
Energy: 0.938345911906374
Energy: 1.21781554422809
Energy: 1.1508281694952742
Energy: 1.1445501116840946
Energy: 1.1508281693368427
Energy: 0.9902063644402674
Energy: 0.9956106864208449
Energy: 1.053461570179545
Energy: 0.9956106864467401
Energy: 1.174540424556554
Energy: 0.9839365848090954
Energy: 1.0102513962735864
Energy: 0.9839365848577313
Energy: 1.2943823551664093
Energy: 0.9936243209826101
Energy: 1.0181010275168194
Energy: 0.993624321079976
Energy: 1.188704088678536
Energy: 0.9980721996297633
Energy: 1.017584185594363
Energy: 0.9980721995003345
Energy: 1.272477163113228
Energy: 1.0620264515711075
Energy: 1.114812671604961
Energy: 1.0620264514893258
Energy: 1.2688885119967428
Energy: 1.0444348427210928
Energy: 1.1115854309264537
Energy: 1.0444348427594177
Energy: 1.25801571579334
Energy: 1.0506996685593264
Energy: 1.1133957678697877
Energy: 1.0506996686121055
Energy: 0.8984445203696345
Energy: 0.8965058041857831
Energy: 1.1024997217617567
Energy: 0.8965058044943127
Energy: 0.9547581156124334
Energy: 0.9477153463075246
Energy: 1.2641701074466078
Energy: 0.9477153463199542
Energy: 0.894914743848746
Energy: 0.8922101879604702
Energy: 1.1181267769884962
Energy: 0.8922101879656493
Energy: 1.0519325406524442
Energy: 0.9404390245687048
Energy: 1.2777948736948603
Energy: 0.9404390245510961

minimum gb energy = 0.8776344544152699 eV
minimum distance =  2.384359353231 Angstroms
sigma value = 89


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

Energy: 1.6669553192504871
Energy: 0.7239730361310528
Energy: 0.9291865149821561
Energy: 0.9616798111660316
Energy: 0.6084904002741441
Energy: 0.4750019573046427
Energy: 0.5834855838945154
Energy: 0.40988381185186545
Energy: 0.7002709424393667
Energy: 0.3402848622982281
Energy: 0.9327415324943198
Energy: 0.37227140493860206
Energy: 0.6287550692041972
Energy: 0.32110040282164254
Energy: 1.025840615419256
Energy: 0.6465547817570413
Energy: 0.543463800915156
Energy: 0.6737487925276404
Energy: 0.4467066876233653
Energy: 0.539820161309659
Energy: 0.5360554492708495
Energy: 0.7416063264070185
Energy: 0.6438009260930875
Energy: 0.6868125040229296
Energy: 0.5647018437824863
Energy: 0.7320218670474665
Energy: 0.7039490239036784
Energy: 0.7639336886461892
Energy: 0.7277527305779584
Energy: 0.5811175102876637
Energy: 0.700115280059237
Energy: 0.5371010110025461
Energy: 0.4525659214421876
Energy: 0.4906552515785222
Energy: 0.6487970097432433
Energy: 0.7063129059313262
Energy: 0.6651613744396151
Energy: 0.5501205819888287
Energy: 0.47642999967434846
Energy: 0.230186645722883
Energy: 0.7718626340795439
Energy: 0.5488051134582875
Energy: 0.4682594799427205
Energy: 0.397331012928437
Energy: 0.6748370557091529
Energy: 0.5977099683002175
Energy: 0.3638707109687985
Energy: 0.2836140054007201
Energy: 1.0205076876190797
Energy: 1.0130484792137777
Energy: 0.8533305126898344
Energy: 1.0130051127577806
Energy: 0.5555481082496633
Energy: 0.6468502980212133
Energy: 0.546160898136078
Energy: 0.7174509898813604
Energy: 0.7214175315880231
Energy: 0.557313955114152
Energy: 0.44746236444635007
Energy: 0.3187004393403757

minimum gb energy = 0.230186645722883 eV
minimum distance =  2.35429617655784 Angstroms
sigma value = 13


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

Energy: 0.7831565347736551
Energy: 0.73052725905128
Energy: 1.0315255405181905
Energy: 1.0142534179633835
Energy: 0.8907063503727429
Energy: 0.8250945915695254
Energy: 0.8234449259001796
Energy: 0.825094591576341
Energy: 0.8048998997222514
Energy: 0.8369134940577456
Energy: 0.7390029768582453
Energy: 0.83691349405093
Energy: 0.8251577221421804
Energy: 0.8134406809336853
Energy: 0.7253422579378308
Energy: 0.8134406809132383
Energy: 0.8036213116441854
Energy: 0.9418237743228549
Energy: 0.9452954513972516
Energy: 0.9418237743898757
Energy: 0.8955468135253205
Energy: 0.9638103097053055
Energy: 0.9820817538225917
Energy: 0.9638103097109851
Energy: 0.8772920919934504
Energy: 0.9670417558228105
Energy: 0.9730693122513367
Energy: 0.9670417558149105
Energy: 1.055909694278353
Energy: 0.9661531942277973
Energy: 0.998524168289625
Energy: 0.9661531942288816
Energy: 0.869308969908194
Energy: 0.9559148843552581
Energy: 0.9682192701883605
Energy: 0.9559148843632097
Energy: 0.8850415028688888
Energy: 0.9515146221996297
Energy: 0.9742888576981756
Energy: 0.9515146218135624
Energy: 0.8236862809922278
Energy: 0.9423025734369758
Energy: 0.9520483935609596
Energy: 0.9423025734278883
Energy: 0.823497992739927
Energy: 0.8292662591943339
Energy: 0.810454119737318
Energy: 0.8292662593612666
Energy: 0.8187594318902663
Energy: 0.8501983635317921
Energy: 0.7906134398138699
Energy: 0.8501983635261122
Energy: 0.7884116854169423
Energy: 0.795826463558033
Energy: 0.810260761492115
Energy: 0.7958264635364501
Energy: 0.8181990023631391
Energy: 0.826454008893826
Energy: 0.8095051707001681
Energy: 0.826454008893826
Energy: 0.832565406497721
Energy: 0.8306535878372424
Energy: 0.7968920446358313
Energy: 0.8306535879133509
Energy: 0.7948767875511499
Energy: 0.8025376437847059
Energy: 0.7873154831208687
Energy: 0.8025376437835698
Energy: 0.8168772149672765
Energy: 0.8300883188216992
Energy: 0.7515789272225945
Energy: 0.8300883188239712
Energy: 0.8292195392281753
Energy: 0.8381587583541783
Energy: 0.8937399565978248
Energy: 0.8381587583700816
Energy: 0.8055435224228766
Energy: 0.8321422875879841
Energy: 0.7949650990379646
Energy: 0.8321422875561777
Energy: 0.730876316660014
Energy: 0.8070859122091916
Energy: 0.8137740766731969
Energy: 0.8070859122364542
Energy: 0.8114189005161573
Energy: 0.8163190224213138
Energy: 0.8241760003936363
Energy: 0.816319020386574
Energy: 0.9841623004204216
Energy: 0.9400608880504129
Energy: 0.8963454434289929
Energy: 0.9400608928839724
Energy: 0.9609051554992641
Energy: 0.9698469710679536
Energy: 1.0363047783836665
Energy: 0.9698469710565941
Energy: 0.9966076944176817
Energy: 0.9665582692375061
Energy: 1.0534684535901078
Energy: 0.9665582692931161
Energy: 0.9777633841714871
Energy: 0.9449301965476945
Energy: 0.8826789674829106
Energy: 0.9449301965908605
Energy: 0.9755814090373831
Energy: 0.9427500616670329
Energy: 0.8796837914063298
Energy: 0.9427500625095445
Energy: 0.9794433291385767
Energy: 0.9443554458126386
Energy: 0.7942015504137405
Energy: 0.9443554454765013
Energy: 0.8055195083081995
Energy: 0.8300374279927399
Energy: 0.807419100222854
Energy: 0.8300374279564412
Energy: 0.8655837489745194
Energy: 0.8290119859483881
Energy: 0.806295510172323
Energy: 0.8290119859915024
Energy: 0.8038261407609875
Energy: 0.8021601187456873
Energy: 0.7977905445575334
Energy: 0.8021601187479592
Energy: 0.8191882987959215
Energy: 0.8260238742579538
Energy: 0.8202970049449609
Energy: 0.8260238743590014
Energy: 0.8058713043501543
Energy: 0.7908563107826074
Energy: 0.8238235495820941
Energy: 0.7908563107769276
Energy: 0.7996322571795729
Energy: 0.800785532931765
Energy: 0.7914729066974411
Energy: 0.8007855329329011
Energy: 0.8930477920149906
Energy: 0.8222397673437106
Energy: 0.8126507456944223
Energy: 0.8222397673368951

minimum gb energy = 0.7253422579378308 eV
minimum distance =  2.32831395076625 Angstroms
sigma value = 37


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

Energy: 0.5449459292483174
Energy: 0.6023086529327251
Energy: 0.9669797467171711
Energy: 0.9501737063106112
Energy: 0.8107175394197457
Energy: 0.7864228883006317
Energy: 0.7454485561353537
Energy: 0.7864228882965231
Energy: 0.7696182477686198
Energy: 0.7737960946827753
Energy: 0.6621206102962874
Energy: 0.7737960922508655
Energy: 0.7890195700839746
Energy: 0.7236922755075519
Energy: 0.6958165686702732
Energy: 0.7127623675807564
Energy: 0.7402971993728564
Energy: 0.8299816010511343
Energy: 0.7399681567008952
Energy: 0.8299813953359408
Energy: 0.8294694520934845
Energy: 0.8077588629467471
Energy: 0.8164183620309571
Energy: 0.8077427657696095
Energy: 0.8730156237868228
Energy: 0.8277753931250112
Energy: 0.8444310452795529
Energy: 0.8277753905272477
Energy: 0.8224522177966581
Energy: 0.8523240332401131
Energy: 0.8129461997633282
Energy: 0.8523240291190385
Energy: 0.816282838421218
Energy: 0.8285574490530117
Energy: 0.8075629833276903
Energy: 0.828618742772739
Energy: 0.7983586423464261
Energy: 0.8453234060957506
Energy: 0.8348517058162359
Energy: 0.8453234067329822
Energy: 0.7366295248745708
Energy: 0.8194829211588468
Energy: 0.8035308699345788
Energy: 0.83227742332782
Energy: 0.7854181775354266
Energy: 0.826188217223434
Energy: 0.7834059408614885
Energy: 0.8261882171527218
Energy: 0.8510110866055501
Energy: 0.6956740077536196
Energy: 0.7346246778269602
Energy: 0.7502285767015299
Energy: 0.7936224540733029
Energy: 0.7999498151333633
Energy: 0.7164075970327761
Energy: 0.7697832189999135
Energy: 0.7226564285021351
Energy: 0.7981681352872417
Energy: 0.7692481646297353
Energy: 0.798168133969427
Energy: 0.7775865904153225
Energy: 0.7226123659450672
Energy: 0.7919339758906456
Energy: 0.7352170082782024
Energy: 0.7173256024091162
Energy: 0.8708383796948126
Energy: 0.6820576272800781
Energy: 0.8708383796096424
Energy: 0.9672091760207733
Energy: 0.7903489737129377
Energy: 0.6501070674615888
Energy: 0.7903489734625133
Energy: 0.7810412426806689
Energy: 0.772360056500458
Energy: 0.6652020673477745
Energy: 0.7723602909276773
Energy: 0.8107175358513102
Energy: 0.7833066486885502
Energy: 0.7576666170843517
Energy: 0.7833066487000764

minimum gb energy = 0.5449459292483174 eV
minimum distance =  2.32139358089046 Angstroms
sigma value = 25


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

Energy: 0.5250291013512345
Energy: 0.6207989931245891
Energy: 0.8422991640305751
Energy: 0.8748799896012992
Energy: 0.6609054309676459
Energy: 0.715774737141301
Energy: 0.6874034945801523
Energy: 0.7157747370894137
Energy: 0.6924151713851033
Energy: 0.6996153688470839
Energy: 0.6927134337115021
Energy: 0.6996153688516622
Energy: 0.6906821754592094
Energy: 0.6969098038161915
Energy: 0.6453611077130542
Energy: 0.6969098038161915
Energy: 0.7771853140939975
Energy: 0.7805012182996904
Energy: 0.7369652501309154
Energy: 0.7805012183347907
Energy: 0.7202455837030584
Energy: 0.7950663561562199
Energy: 0.7763304462535751
Energy: 0.7950663448254001
Energy: 0.704011754135872
Energy: 0.7997437845837353
Energy: 0.7848048824930021
Energy: 0.7997437843229114
Energy: 0.8018725423656783
Energy: 0.810719319915806
Energy: 0.7646025718504263
Energy: 0.8107193199127539
Energy: 0.8103909070307167
Energy: 0.8225959773377929
Energy: 0.7759128283163972
Energy: 0.8225959773332147
Energy: 0.8150281233893242
Energy: 0.8142710088048141
Energy: 0.8456799802595473
Energy: 0.8142710086889
Energy: 0.8065980692474699
Energy: 0.839080193257775
Energy: 0.8688236302083832
Energy: 0.8390801926430355
Energy: 0.8356714274138182
Energy: 0.8277915962082383
Energy: 0.8469031529889252
Energy: 0.8277915961853815
Energy: 0.839420892268253
Energy: 0.8317673110335169
Energy: 0.8454888684462122
Energy: 0.8317673110304645
Energy: 0.8555384013180726
Energy: 0.801293247049167
Energy: 0.8291908315736924
Energy: 0.8012932469652664
Energy: 0.7858266393939918
Energy: 0.8152897205733779
Energy: 0.814474383134608
Energy: 0.8152897206069173
Energy: 0.7805123533557204
Energy: 0.8217249350990224
Energy: 0.812336150427509
Energy: 0.8217249350944442
Energy: 0.773392195108776
Energy: 0.7964586873966805
Energy: 0.8046199229269929
Energy: 0.7964586873905761
Energy: 0.732022752399113
Energy: 0.8063074659001493
Energy: 0.7633001832532061
Energy: 0.8063074658970971
Energy: 0.7770317673943897
Energy: 0.7928944670215661
Energy: 0.7200183987840746
Energy: 0.7928944670444575
Energy: 0.7649729740570044
Energy: 0.6861408418474371
Energy: 0.674632811707266
Energy: 0.6861408418444195
Energy: 0.616180777140026
Energy: 0.6986530271414815
Energy: 0.6961195911305873
Energy: 0.6986530271384293
Energy: 0.7771924595906994
Energy: 0.7171638304316889
Energy: 0.6901615536501258
Energy: 0.7171638303981147
Energy: 0.685068791538604
Energy: 0.7045605223586887
Energy: 0.710782688921071
Energy: 0.7045605224410286
Energy: 0.6625950345580798
Energy: 0.6965379230738847
Energy: 0.5421565545648892
Energy: 0.6965379230586237
Energy: 0.6928695667199906
Energy: 0.6863225408964285
Energy: 0.6983345473931972
Energy: 0.6863225408491194
Energy: 0.6148323246242534
Energy: 0.6827573160371511
Energy: 0.7000374574791942
Energy: 0.6827573160447816

minimum gb energy = 0.5250291013512345 eV
minimum distance =  2.30974657930195 Angstroms
sigma value = 41


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

Energy: 0.5181813211116826
Energy: 0.584472070761637
Energy: 0.7805657711872281
Energy: 0.8471985024839223
Energy: 0.6360897001425228
Energy: 0.7155896944281024
Energy: 0.6637688224958135
Energy: 0.7155896944343582
Energy: 0.6452353351874837
Energy: 0.6394024183531773
Energy: 0.7085307820419974
Energy: 0.6394024183631866
Energy: 0.6524821259049892
Energy: 0.6696669655223545
Energy: 0.5792978964580462
Energy: 0.6696669655160987
Energy: 0.7172970837759995
Energy: 0.7154097754067974
Energy: 0.6880890240854989
Energy: 0.7154097754180577
Energy: 0.7019470368144655
Energy: 0.7287601225969991
Energy: 0.7178823362607475
Energy: 0.7287601225969991
Energy: 0.6417263131430808
Energy: 0.7302773291930669
Energy: 0.7076436415387608
Energy: 0.7302773291968204
Energy: 0.7470964590856145
Energy: 0.7500009322678451
Energy: 0.757903887321233
Energy: 0.7500009322565848
Energy: 0.767712106249634
Energy: 0.7554949424510988
Energy: 0.7833796850703721
Energy: 0.7554949424498761
Energy: 0.7590643048876736
Energy: 0.7560107150610149
Energy: 0.7925802215207828
Energy: 0.7560107150585126
Energy: 0.79801607950606
Energy: 0.7724975907830894
Energy: 0.7925642943930316
Energy: 0.772497590786843
Energy: 0.7889644394842787
Energy: 0.7801889425532518
Energy: 0.7966091280728153
Energy: 0.7801889425520008
Energy: 0.8128976296854727
Energy: 0.7777638806116388
Energy: 0.7958840084399501
Energy: 0.7777638806116388
Energy: 0.8182184686782662
Energy: 0.7797498839837174
Energy: 0.8336350454600875
Energy: 0.7797498839874708
Energy: 0.7793407664169612
Energy: 0.7945420104569612
Energy: 0.8032318677525737
Energy: 0.7945420104544587
Energy: 0.8204155773082961
Energy: 0.7877432232231908
Energy: 0.8209810955799579
Energy: 0.7877432232231908
Energy: 0.7942879366231665
Energy: 0.7729062760220278
Energy: 0.8170485538715573
Energy: 0.7729062760232788
Energy: 0.7635615764708775
Energy: 0.781900430147401
Energy: 0.7397866753739133
Energy: 0.7819004301486522
Energy: 0.798440853766959
Energy: 0.775380253147313
Energy: 0.8215486329317626
Energy: 0.7753802531460617
Energy: 0.7841998516172126
Energy: 0.7524856166204833
Energy: 0.7733753623693134
Energy: 0.7524856166217343
Energy: 0.694411688699197
Energy: 0.758141060785238
Energy: 0.7630821550892394
Energy: 0.7581410607827357
Energy: 0.7313074732174308
Energy: 0.7512085151619313
Energy: 0.7493502956308067
Energy: 0.7512085151606801
Energy: 0.7200432808626555
Energy: 0.7287226688864202
Energy: 0.7401343563730985
Energy: 0.7287226688901736
Energy: 0.7205270707214111
Energy: 0.7302480119427686
Energy: 0.6458248934449549
Energy: 0.7302480119415174
Energy: 0.7065367196837371
Energy: 0.7157709502480177
Energy: 0.7521332304005077
Energy: 0.715770950249269
Energy: 0.7127290428672536
Energy: 0.6678114821443845
Energy: 0.653564195686462
Energy: 0.6678114821431332
Energy: 0.6522724834496424
Energy: 0.6689426711351708
Energy: 0.6463882563376242
Energy: 0.6689426711214082
Energy: 0.6922688057285197
Energy: 0.7417111453624339
Energy: 0.6248001969198773
Energy: 0.7417111453661874
Energy: 0.6518141075521018
Energy: 0.6672862264647179
Energy: 0.5125854589189277
Energy: 0.6672862264672201
Energy: 0.6342762681321351
Energy: 0.66873365833844
Energy: 0.6076480310213669
Energy: 0.6687336583434446
Energy: 0.6237724096735013
Energy: 0.6585299864976066
Energy: 0.6257280369849473
Energy: 0.6585299865051135
Energy: 0.49646299464242405
Energy: 0.6686957410114414
Energy: 0.6552037215596285
Energy: 0.6686957410189482

minimum gb energy = 0.49646299464242405 eV
minimum distance =  2.31886910939403 Angstroms
sigma value = 15


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

Energy: 0.510590831676473
Energy: 0.5404114427437351
Energy: 0.7749607114319357
Energy: 0.7618670787386886
Energy: 0.5805667754187288
Energy: 0.660354788705904
Energy: 0.6504083134832275
Energy: 0.6603547887080239
Energy: 0.5958775909390469
Energy: 0.6067701037252858
Energy: 0.6554733262559485
Energy: 0.6067701037157467
Energy: 0.6191500185601788
Energy: 0.6083307598493004
Energy: 0.5511455352218152
Energy: 0.60833075985354
Energy: 0.7227193965171185
Energy: 0.6535679284780099
Energy: 0.649473423497226
Energy: 0.6535679284769501
Energy: 0.6957458592093574
Energy: 0.6616930653305585
Energy: 0.6572255148792953
Energy: 0.6616930653284387
Energy: 0.6236735659895212
Energy: 0.6626022345196974
Energy: 0.6659721475751565
Energy: 0.6626022345196974
Energy: 0.6892592199567722
Energy: 0.6883124195885678
Energy: 0.7301875928800285
Energy: 0.6883124195832684
Energy: 0.7051150809040932
Energy: 0.6899672771674501
Energy: 0.6492763171068329
Energy: 0.6899672771632105
Energy: 0.7098881633468405
Energy: 0.6905718425031079
Energy: 0.7414960742803932
Energy: 0.6905718424988683
Energy: 0.7348465870475295
Energy: 0.707441841413355
Energy: 0.7272639739948887
Energy: 0.7074418414101754
Energy: 0.6919291048500973
Energy: 0.7143637725888683
Energy: 0.734412113283209
Energy: 0.7143637726068865
Energy: 0.7354787079666449
Energy: 0.713059135557879
Energy: 0.7287809422331191
Energy: 0.7130591355568191
Energy: 0.7504688006663753
Energy: 0.7251637891926754
Energy: 0.7644830434429621
Energy: 0.7251637892117054
Energy: 0.7540544371978618
Energy: 0.7368367479447747
Energy: 0.7141869978611608
Energy: 0.7368367479373554
Energy: 0.7629773243232032
Energy: 0.7295896348700501
Energy: 0.7531894307410231
Energy: 0.7295896348700501
Energy: 0.7673859495135208
Energy: 0.733930403342365
Energy: 0.769324785872131
Energy: 0.733930403342365
Energy: 0.7603441485268685
Energy: 0.7448120173886218
Energy: 0.7619179040268181
Energy: 0.7448120173918015
Energy: 0.7674483358255171
Energy: 0.7343880273628696
Energy: 0.7616755686450501
Energy: 0.7343880273607497
Energy: 0.7586782158024525
Energy: 0.7284346290650925
Energy: 0.7627532383542993
Energy: 0.7284346290735716
Energy: 0.7316877917306726
Energy: 0.7360473842838315
Energy: 0.7515289070266432
Energy: 0.7360473842838315
Energy: 0.7658828403177467
Energy: 0.7270898526828348
Energy: 0.756148620587149
Energy: 0.7270898526849545
Energy: 0.732714674539178
Energy: 0.7124477683717224
Energy: 0.7373046896657927
Energy: 0.7124477683685428
Energy: 0.731653156837567
Energy: 0.715305700222476
Energy: 0.7127843834588475
Energy: 0.7153057002151048
Energy: 0.7276826831634734
Energy: 0.7073185536264863
Energy: 0.761101400663312
Energy: 0.7073185536275463
Energy: 0.7146199003103989
Energy: 0.6903561334787599
Energy: 0.709479580626437
Energy: 0.69035613347664
Energy: 0.6589611538770423
Energy: 0.6902967163918072
Energy: 0.7062043555420459
Energy: 0.6902967163896874
Energy: 0.7277794299405459
Energy: 0.684793534928639
Energy: 0.6919698186753843
Energy: 0.6847935349201599
Energy: 0.6656764274196677
Energy: 0.6627014652471892
Energy: 0.6431661865013095
Energy: 0.6627014652482491
Energy: 0.6585290314382739
Energy: 0.6619019978034824
Energy: 0.6594176972367526
Energy: 0.6619019977992427
Energy: 0.6495842912181709
Energy: 0.6945364057522494
Energy: 0.6900596651345928
Energy: 0.6945364057533093
Energy: 0.5726857503593825
Energy: 0.6078147455317119
Energy: 0.6140680362453484
Energy: 0.6078147455285322
Energy: 0.666009706133918
Energy: 0.6073340204083372
Energy: 0.5959657837515113
Energy: 0.607334020409397
Energy: 0.6480239950530756
Energy: 0.6619697293478544
Energy: 0.5687735506638641
Energy: 0.6619697293457345
Energy: 0.7431799365716559
Energy: 0.7262693339380799
Energy: 0.48609368408441544
Energy: 0.7262693339391398
Energy: 0.5952539462393811
Energy: 0.606208857491434
Energy: 0.6094842519883052
Energy: 0.606208857491434
Energy: 0.6190321379541526
Energy: 0.6060825835000786
Energy: 0.596282703512151
Energy: 0.6060825835000786

minimum gb energy = 0.48609368408441544 eV
minimum distance =  2.32402514232204 Angstroms
sigma value = 85


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

Energy: 0.3672387281215748
Energy: 0.3946413704174409
Energy: 0.5838306201182513
Energy: 0.5558788833860122
Energy: 0.4467108930521017
Energy: 0.5313880929909256
Energy: 0.5185628342329636
Energy: 0.5313880929192447
Energy: 0.44889383586291365
Energy: 0.46248739659784266
Energy: 0.5297216271895064
Energy: 0.46248739660151966
Energy: 0.4581256482762101
Energy: 0.4617127830919915
Energy: 0.4659186660667755
Energy: 0.4617127830910722
Energy: 0.5698146682390998
Energy: 0.5275488858837462
Energy: 0.5112717371145009
Energy: 0.5275488858809884
Energy: 0.5529529789791744
Energy: 0.5525610382409197
Energy: 0.5241932776993494
Energy: 0.5525610382400005
Energy: 0.4841938606638924
Energy: 0.5543736659471198
Energy: 0.5184722305708441
Energy: 0.5543736659471198
Energy: 0.567485613501599
Energy: 0.5619278009359916
Energy: 0.6093722128684895
Energy: 0.561927800923122
Energy: 0.5708809725451435
Energy: 0.5867812523493211
Energy: 0.5790039931391908
Energy: 0.5867812523474825
Energy: 0.5776289288281977
Energy: 0.5815754972899458
Energy: 0.609037615997512
Energy: 0.5815754972733993
Energy: 0.6309025174629525
Energy: 0.6001512774336937
Energy: 0.6060038406756114
Energy: 0.6001512774318551
Energy: 0.5807459752835813
Energy: 0.6177268791071103
Energy: 0.6239364386047678
Energy: 0.6177268791135451
Energy: 0.6228940004577358
Energy: 0.6152114163682076
Energy: 0.6259375712128152
Energy: 0.6152114163691268
Energy: 0.6392188546807248
Energy: 0.6269729105338002
Energy: 0.6299619579099296
Energy: 0.6269729105420736
Energy: 0.6380070974681775
Energy: 0.6369401325763777
Energy: 0.6117056107817923
Energy: 0.6369401325763777
Energy: 0.6595130528349498
Energy: 0.6318409503541422
Energy: 0.6447068720116813
Energy: 0.6318409503440303
Energy: 0.655637935587037
Energy: 0.6400600656430764
Energy: 0.6560636594812209
Energy: 0.6400600656384802
Energy: 0.6497077529660465
Energy: 0.6483408536817149
Energy: 0.6335848631827955
Energy: 0.6483408536844726
Energy: 0.6433837173008006
Energy: 0.6394902855374378
Energy: 0.6666712909350165
Energy: 0.6394902855365394
Energy: 0.641496121217828
Energy: 0.6454673821498964
Energy: 0.6611185882610608
Energy: 0.6454673821471388
Energy: 0.659793448747804
Energy: 0.6540065985534578
Energy: 0.6501110002430618
Energy: 0.6540065985534578
Energy: 0.6797420951858604
Energy: 0.6353696064908154
Energy: 0.6482012587330414
Energy: 0.6353696064843806
Energy: 0.6625632163239015
Energy: 0.6433268887413935
Energy: 0.6425860060040185
Energy: 0.643326888743232
Energy: 0.6375690888743228
Energy: 0.6480750090134494
Energy: 0.6570467009830878
Energy: 0.6480750090125301
Energy: 0.6501015573133765
Energy: 0.6319867657879621
Energy: 0.6666722002951769
Energy: 0.6319867657833866
Energy: 0.6285287441483685
Energy: 0.6344257591845562
Energy: 0.6348485627025043
Energy: 0.6344257591854754
Energy: 0.6445197313117689
Energy: 0.6321682474286234
Energy: 0.6429072052462185
Energy: 0.6321682474460892
Energy: 0.6403832115473193
Energy: 0.6130718923590096
Energy: 0.6257448897043417
Energy: 0.6130718923562518
Energy: 0.6189904988407917
Energy: 0.618124940867903
Energy: 0.6360876595073607
Energy: 0.6181249408706608
Energy: 0.6238505421975485
Energy: 0.6151812174899516
Energy: 0.5696065245666364
Energy: 0.6151812174871939
Energy: 0.6111599599911721
Energy: 0.5816078950016005
Energy: 0.6447665568092322
Energy: 0.5816078949997621
Energy: 0.5389847520487534
Energy: 0.5886753745453398
Energy: 0.569023372491736
Energy: 0.5886753745444204
Energy: 0.6079408655511039
Energy: 0.5769720874640683
Energy: 0.5803622289981618
Energy: 0.5769720874686645
Energy: 0.5660401341256803
Energy: 0.5219598742776647
Energy: 0.5684870420616714
Energy: 0.5219598742050646
Energy: 0.5171059206517323
Energy: 0.5529921092751316
Energy: 0.5060396333691434
Energy: 0.5529921092356247
Energy: 0.5169755289696373
Energy: 0.5303366082035622
Energy: 0.5712109442196822
Energy: 0.5303366082154916
Energy: 0.5268948518920478
Energy: 0.5307530743933218
Energy: 0.5824960569581993
Energy: 0.5307530743887255
Energy: 0.43190777290202653
Energy: 0.43666318193386466
Energy: 0.4575671286793671
Energy: 0.4366798139348177
Energy: 0.5114263402803445
Energy: 0.46134688863250445
Energy: 0.45822893510044654
Energy: 0.4613468886306659
Energy: 0.5188904396514437
Energy: 0.5259990119706371
Energy: 0.5053640754151861
Energy: 0.5259990119706371
Energy: 0.46093266842941427
Energy: 0.4519469151761295
Energy: 0.5059002396449668
Energy: 0.4519469152533258
Energy: 0.4584780305268683
Energy: 0.5150069807337511
Energy: 0.4461420682735151
Energy: 0.5150069807282355
Energy: 0.48448213207751273
Energy: 0.4650571693673433
Energy: 0.45937923624700366
Energy: 0.46505716936642405

minimum gb energy = 0.3672387281215748 eV
minimum distance =  2.30421875627698 Angstroms
sigma value = 113


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

Energy: 0.014521670146053165
Energy: 0.015165570219513242
Energy: 0.9690450091123026
Energy: 0.1416659437840231
Energy: 0.022309061888946092
Energy: 0.1455411163557299
Energy: 0.0260373568860945
Energy: 0.1455411163557299
Energy: 0.02592669142729721
Energy: 0.14426942478504645
Energy: 0.022255558426234123
Energy: 0.1442694247809242
Energy: 0.02932926126125066
Energy: 0.14188655812766138
Energy: 0.015402321578175459
Energy: 0.14188655813107695
Energy: 0.02561490364418753
Energy: 0.1461370068244001
Energy: 0.02572400662353946
Energy: 0.146137006829229
Energy: 0.01967372755799876
Energy: 0.14402013065097208
Energy: 0.027355561469982713
Energy: 0.14402013065163952

minimum gb energy = 0.014521670146053165 eV
minimum distance =  2.45449548465945 Angstroms
sigma value = 1