Model name: model_name=MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001
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=2.863645806908607
cohesive_energy=4.290547129760511
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23736976676004e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01318582290641983
Energy: 0.013476959853285014
Energy: 1.9735203844220963
Energy: 1.1063632970546333
Energy: 0.013476959853285014
Energy: 0.22578312272786297
Energy: 1.1051423176191248
Energy: 0.22578312272786297
Energy: 1.9735203844172098
Energy: 1.1051423176152102
Energy: 1.4349070086503808
Energy: 1.1051423176181532
Energy: 1.1063632970536617
Energy: 0.22578312272786297
Energy: 1.1051423176161819
Energy: 0.22578312272786297

minimum gb energy = 0.01318582290641983 eV
minimum distance =  2.43810928809228 Angstroms
sigma value = 1


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

Energy: 2.1565761516776796
Energy: 1.0261190411339518
Energy: 1.1661765823251848
Energy: 1.0064163956521728
Energy: 1.8602039081504336
Energy: 0.895737608600172
Energy: 0.8966992688254454
Energy: 0.8957376085989598
Energy: 1.8497428719088234
Energy: 0.8959323231426979
Energy: 0.8963835660572892
Energy: 0.8959323231426979
Energy: 1.8610089302542439
Energy: 0.895876008947051
Energy: 0.8959405991848586
Energy: 0.8958760089458386
Energy: 1.5330950701557546
Energy: 0.9028534238569834
Energy: 1.21405230920547
Energy: 0.9028534238569834
Energy: 1.8611539456457413
Energy: 0.8952513199791764
Energy: 1.1700774120015005
Energy: 0.8952513199791764
Energy: 1.668642225649627
Energy: 0.8952042530822661
Energy: 1.1727843012583716
Energy: 0.8952042530822661
Energy: 1.5396491059748167
Energy: 0.8951176757582939
Energy: 1.1744508758485082
Energy: 0.8951176757582939
Energy: 1.347032675846154
Energy: 0.8977457846807141
Energy: 1.5783345957579644
Energy: 0.8977457846807141
Energy: 1.5379195662933844
Energy: 0.963807834481563
Energy: 1.549145458782958
Energy: 0.963807834481563
Energy: 1.4921303825524372
Energy: 0.8970261372265826
Energy: 1.4423440198414461
Energy: 0.8970261372265826
Energy: 1.1734877181593797
Energy: 0.8949120110439266
Energy: 1.5351959375558744
Energy: 0.8949120110439266
Energy: 1.173249647953438
Energy: 0.8951921604466337
Energy: 1.5357926153279486
Energy: 0.8951921604466337
Energy: 1.1571249819617244
Energy: 0.8952206469460847
Energy: 1.8611669299527591
Energy: 0.895220646947297
Energy: 1.1801278871325225
Energy: 0.9025471170709821
Energy: 1.6249002445702243
Energy: 0.9025471170685577
Energy: 0.896060585109527
Energy: 0.8960910107452907
Energy: 1.8527360176461838
Energy: 0.8960910107452907
Energy: 0.8957416556468807
Energy: 0.8960908029806564
Energy: 1.8554636606825825
Energy: 0.8960908029782318
Energy: 0.8949624277668956
Energy: 0.8954954015042549
Energy: 1.862393080032993
Energy: 0.8954954015054671
Energy: 0.8958210665222294
Energy: 0.8956507881196883
Energy: 1.7362749936208435
Energy: 0.8956507881209005
Energy: 0.9786666647274418
Energy: 0.8954985896990296
Energy: 1.8537023685257816
Energy: 0.8954985896990296
Energy: 0.995505345636949
Energy: 0.8954762627223178
Energy: 1.8582674570735416
Energy: 0.8954762627211056
Energy: 0.9958102255209041
Energy: 0.8952254402232646
Energy: 1.7408370852210713
Energy: 0.8952254402220523
Energy: 1.0023440601856386
Energy: 0.895502994738646
Energy: 1.534139824025405
Energy: 0.895502994738646
Energy: 1.3506010994871014
Energy: 0.8955711673023505
Energy: 1.7401648330167754
Energy: 0.8955711673035627
Energy: 1.3490600313713221
Energy: 0.8959283925948802
Energy: 1.7405981800259365
Energy: 0.8959283925960924
Energy: 1.350299158269192
Energy: 0.9671928900201344
Energy: 1.3482151771311122
Energy: 0.9671928900189223
Energy: 1.3493412384787948
Energy: 0.9651910382076803
Energy: 1.348084815900381
Energy: 0.9651910382076803
Energy: 1.7408072205677225
Energy: 0.8958929205037306
Energy: 1.349771695145839
Energy: 0.8958929205037306
Energy: 1.6249239548893804
Energy: 0.8953588810136696
Energy: 1.360566735939382
Energy: 0.8953588810160942
Energy: 1.6245465348004142
Energy: 0.8953211206204132
Energy: 0.9954365994531246
Energy: 0.8953211206192011
Energy: 1.7413076707891573
Energy: 0.895533153838665
Energy: 0.9963977701242483
Energy: 0.8955331538374529
Energy: 1.8583933206660297
Energy: 0.923759386394877
Energy: 0.9813044661118988
Energy: 0.9237593863973014
Energy: 1.8453562772667524
Energy: 0.8965855855659093
Energy: 0.9791628131184961
Energy: 0.896585585564697

minimum gb energy = 0.8949120110439266 eV
minimum distance =  2.3542470084234 Angstroms
sigma value = 1


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

Energy: 2.4268545546770373
Energy: 1.1130371241016996
Energy: 0.9290999907198899
Energy: 1.055339863928483
Energy: 1.7634586224304047
Energy: 0.9285958470997291
Energy: 0.9282036369196759
Energy: 0.9285958470997291
Energy: 1.7810535311189333
Energy: 0.9278587177341869
Energy: 0.9266796874356003
Energy: 0.9278587177341869
Energy: 1.7823740667603802
Energy: 0.9280391968358213
Energy: 0.9284068558337295
Energy: 0.9280391968372035
Energy: 1.5465987444049383
Energy: 0.9281936586444328
Energy: 1.1251790109895663
Energy: 0.9281936586444328
Energy: 1.7825246527665313
Energy: 0.9276978678259533
Energy: 1.1241507082132751
Energy: 0.9276978678259533
Energy: 1.7822699038036536
Energy: 0.9283187617397962
Energy: 1.1418623508519552
Energy: 0.9283187617397962
Energy: 1.5495496209717508
Energy: 0.9302716115861275
Energy: 1.14105361222319
Energy: 0.9302716115875096
Energy: 1.549582759323855
Energy: 1.0126365056832483
Energy: 1.3939911376729548
Energy: 1.0126365056832483
Energy: 1.5489514181661717
Energy: 1.0133408659263152
Energy: 1.5481680552876618
Energy: 1.0133408659263152
Energy: 1.5490475252986227
Energy: 1.0125313981248902
Energy: 1.3232879176765806
Energy: 1.0125313981248902
Energy: 1.1413752439403426
Energy: 0.9286429209439664
Energy: 1.3252748474331226
Energy: 0.9286429209425843
Energy: 1.1414397276462622
Energy: 0.9276468762445477
Energy: 1.5486955309302648
Energy: 0.9276468762445477
Energy: 1.1252621422624571
Energy: 0.9283501541828049
Energy: 1.7829286936365747
Energy: 0.9283501541828049
Energy: 1.1252188866029451
Energy: 0.9282442306562965
Energy: 1.7643690372851284
Energy: 0.9282442306535321
Energy: 0.9278196683122365
Energy: 0.9277544921655368
Energy: 1.7634100889435576
Energy: 0.9277544921641547
Energy: 0.927311259205169
Energy: 0.9277219214710152
Energy: 1.7823176215295766
Energy: 0.9277219214696331
Energy: 0.9274147875889224
Energy: 0.928806245302602
Energy: 1.7826744444944131
Energy: 0.928806245302602
Energy: 0.9279856320196926
Energy: 0.9282457355658488
Energy: 1.546881726048288
Energy: 0.9282457355658488
Energy: 1.1245845018465817
Energy: 0.9276025798280934
Energy: 1.7822988780021125
Energy: 0.9276025798280934
Energy: 1.1409193543596854
Energy: 0.9279119852551443
Energy: 1.7812348008944483
Energy: 0.9279119852551443
Energy: 1.1407407904035538
Energy: 0.9301510943179695
Energy: 1.5489638481353671
Energy: 0.9301510943179695
Energy: 1.1413060346441546
Energy: 1.0120808877655498
Energy: 1.5492266322107515
Energy: 1.012080887766932
Energy: 1.5486824011774758
Energy: 1.0127894735446823
Energy: 1.5492545280610455
Energy: 1.0127894735446823
Energy: 1.3235029438748853
Energy: 1.0133377925793394
Energy: 1.5506435264050213
Energy: 1.0133377925793394
Energy: 1.3236095313510243
Energy: 0.9288339699312397
Energy: 1.190306843681354
Energy: 0.9288339699312397
Energy: 1.5489422949616665
Energy: 0.9276376600871384
Energy: 1.1413979149958018
Energy: 0.9276376600871384
Energy: 1.782635121393021
Energy: 0.927850956461387
Energy: 1.1249778543986375
Energy: 0.927850956461387
Energy: 1.764192288887472
Energy: 0.9281017253058953
Energy: 1.1253461430209089
Energy: 0.9281017253058953

minimum gb energy = 0.9266796874356003 eV
minimum distance =  2.35875611732853 Angstroms
sigma value = 25


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

Energy: 2.288396325512789
Energy: 1.1127686736027653
Energy: 0.9909942028900212
Energy: 1.0863330475466901
Energy: 1.6643597491859108
Energy: 0.9908471728668704
Energy: 0.9915595151661036
Energy: 0.9908471728668704
Energy: 1.6794610480470253
Energy: 0.9901191968719855
Energy: 0.9900565597495115
Energy: 0.9901191968719855
Energy: 1.6795208820777217
Energy: 0.9907890104158046
Energy: 0.9910020425508826
Energy: 0.9907890104158046
Energy: 1.5628868764275323
Energy: 1.016337936483655
Energy: 1.3046732209112613
Energy: 1.016337936483655
Energy: 1.6791810539357257
Energy: 0.9913442446169157
Energy: 1.3177610112673541
Energy: 0.9913442446169157
Energy: 1.6793959395412164
Energy: 1.0796215902686512
Energy: 1.3552188269809744
Energy: 1.0796215902686512
Energy: 1.3538616431398673
Energy: 1.0801674933614829
Energy: 1.3510344267209242
Energy: 1.0801674933614829
Energy: 1.3557676869548594
Energy: 1.080240717972992
Energy: 1.4817991895657245
Energy: 1.080240717972992
Energy: 1.3179095641461624
Energy: 1.0081494783494587
Energy: 1.678757731967573
Energy: 1.0081494783510654
Energy: 1.3329338363145866
Energy: 1.0163911536514836
Energy: 1.6776075500589538
Energy: 1.0163911536514836
Energy: 0.9902499821088279
Energy: 0.9906422787849005
Energy: 1.6769757120021676
Energy: 0.9906422787849005
Energy: 0.9893558733987957
Energy: 0.9902607775923662
Energy: 1.6829475071507147
Energy: 0.9902607775923662
Energy: 0.9908580026044789
Energy: 1.0351236278001268
Energy: 1.6813158978579767
Energy: 1.0351236278001268
Energy: 0.990037773407917
Energy: 1.0085418741582803
Energy: 1.5619075303713699
Energy: 1.0085418741582803
Energy: 1.109258876024599
Energy: 0.9906708090374756
Energy: 1.676947169346455
Energy: 0.9906708090374756
Energy: 1.1264040284976462
Energy: 0.9899775721684567
Energy: 1.6820186622521922
Energy: 0.9899775721700634
Energy: 1.1270400367661846
Energy: 0.9905766304300457
Energy: 1.5599162372975193
Energy: 0.9905766304300457
Energy: 1.1461908491315556
Energy: 0.9901060985405316
Energy: 1.352925591989367
Energy: 0.9901060985405316
Energy: 1.5599845908817909
Energy: 1.083947620223625
Energy: 1.5604280891438103
Energy: 1.0839476202220182
Energy: 1.4470812862229276
Energy: 0.9901274990537011
Energy: 1.5603865642968937
Energy: 0.9901274990537011
Energy: 1.4468578661153473
Energy: 0.9902811911996094
Energy: 1.127811590973967
Energy: 0.9902811911996094
Energy: 1.5606736397560321
Energy: 0.9904047650053142
Energy: 1.1262750753266537
Energy: 0.9904047650069209
Energy: 1.6826881518975172
Energy: 0.9902833595509873
Energy: 1.1216774624901538
Energy: 0.9902833595509873
Energy: 1.6760895503836923
Energy: 0.9908900237558194
Energy: 1.0930952872642867
Energy: 0.9908900237542126

minimum gb energy = 0.9893558733987957 eV
minimum distance =  2.34605897141491 Angstroms
sigma value = 9


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

Energy: 2.0286108841259187
Energy: 1.2051412723617712
Energy: 1.0197998036218545
Energy: 1.0175539742973325
Energy: 1.5335168139398296
Energy: 1.0917323234455725
Energy: 1.019913033056319
Energy: 1.0917323234455725
Energy: 1.5666428433172674
Energy: 1.019661029572091
Energy: 1.015767182703859
Energy: 1.019661029572091
Energy: 1.5642114692226525
Energy: 1.017322814972011
Energy: 1.0173342313807154
Energy: 1.0173228149714446
Energy: 1.3050226797748792
Energy: 1.0208383990489078
Energy: 1.2729461094220655
Energy: 1.0208383990494956
Energy: 1.565536722472544
Energy: 1.089463681195676
Energy: 1.2723340736723232
Energy: 1.0894636811955016
Energy: 1.5666909059632703
Energy: 1.017396252307976
Energy: 1.0003652856180716
Energy: 1.0173962523076057
Energy: 1.3158885057666345
Energy: 1.13793902390538
Energy: 1.313348027679484
Energy: 1.1379390239057718
Energy: 1.3147554576085618
Energy: 1.1411202840369106
Energy: 1.5667494626275327
Energy: 1.1411202840370849
Energy: 1.365133204974999
Energy: 1.01752839760673
Energy: 1.5657955522541738
Energy: 1.0175283976065341
Energy: 1.2706499235355058
Energy: 1.020774913014116
Energy: 1.5324697402443321
Energy: 1.020774913014116
Energy: 1.0159428420591765
Energy: 1.0173344426802227
Energy: 1.5338511487125033
Energy: 1.0173344426796347
Energy: 1.0172658274419568
Energy: 1.0196182539527834
Energy: 1.565393509687957
Energy: 1.0196182539527834
Energy: 1.0193411855833323
Energy: 1.0940466622737284
Energy: 1.565868009224292
Energy: 1.0940466622735323
Energy: 1.0201208407999864
Energy: 1.0212660591036309
Energy: 1.3050875012416652
Energy: 1.0212660591049814
Energy: 1.272491523236016
Energy: 1.0904810516798362
Energy: 1.563853669406414
Energy: 1.0904810516794656
Energy: 1.0004596003644113
Energy: 1.0198202928332079
Energy: 1.5667873433326065
Energy: 1.0198202928330118
Energy: 1.0006990512251306
Energy: 1.1413031586104976
Energy: 1.3652227315098104
Energy: 1.1413031586106939
Energy: 1.3143194980721815
Energy: 1.1413428585972551
Energy: 1.3139298249096956
Energy: 1.1413428585974292
Energy: 1.5669275827023692
Energy: 1.1407171137220906
Energy: 1.3662938215457885
Energy: 1.1407171137220906
Energy: 1.5337836426169398
Energy: 1.0202246006807434
Energy: 1.2732693039327956
Energy: 1.0202246006807434

minimum gb energy = 1.0003652856180716 eV
minimum distance =  2.35631847860062 Angstroms
sigma value = 25


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

Energy: 1.7744140543667877
Energy: 1.1456553128077451
Energy: 1.1233145574327175
Energy: 1.1226075109395233
Energy: 1.3777435001726723
Energy: 1.2289823546470782
Energy: 1.2293836353013934
Energy: 1.2289823546470782
Energy: 1.379404404640777
Energy: 1.1212845995672585
Energy: 1.120790321677972
Energy: 1.1212845995670158
Energy: 1.4307758423417114
Energy: 1.1388428195334037
Energy: 1.138427617751647
Energy: 1.1388428195331612
Energy: 1.3128843946162048
Energy: 1.1614702993446524
Energy: 1.3786365551050455
Energy: 1.1614702993448949
Energy: 1.3789557714791578
Energy: 1.1918239083590079
Energy: 1.3811772294719948
Energy: 1.1918239083594928
Energy: 1.3789673639664055
Energy: 1.161248221057731
Energy: 1.4455912910251274
Energy: 1.161248221057731
Energy: 1.1215250262672969
Energy: 1.1223015583769125
Energy: 1.447489776992197
Energy: 1.1223015583769125
Energy: 1.1200824165720518
Energy: 1.1212745534152417
Energy: 1.4317899307947628
Energy: 1.121274553415484
Energy: 1.2290905319808796
Energy: 1.1537550227715205
Energy: 1.43342725736305
Energy: 1.1537550227715205
Energy: 1.137133897518321
Energy: 1.1226418785843983
Energy: 1.4261293299661595
Energy: 1.122641878584883
Energy: 1.265059653014272
Energy: 1.152980208373331
Energy: 1.4272105093204173
Energy: 1.152980208372846
Energy: 1.3171345227129592
Energy: 1.1211914576065534
Energy: 1.4318695419604908
Energy: 1.1211914576067958
Energy: 1.316749250732115
Energy: 1.1214117442151874
Energy: 1.3200547060195127
Energy: 1.1214117442147025
Energy: 1.3793840497153715
Energy: 1.121453905509442
Energy: 1.3177127808015388
Energy: 1.1214539055091994
Energy: 1.432437308174129
Energy: 1.1214765991495086
Energy: 1.379349831920534
Energy: 1.1214765991495086
Energy: 1.3776008531986694
Energy: 1.1214892296149435
Energy: 1.2633001197631184
Energy: 1.121489229615186

minimum gb energy = 1.1200824165720518 eV
minimum distance =  2.3197951123818 Angstroms
sigma value = 17


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

Energy: 1.6279732164703247
Energy: 1.1801243074228138
Energy: 1.1907418711948952
Energy: 1.1929330699223721
Energy: 1.366813219742254
Energy: 1.3159681214005852
Energy: 1.3160918746233887
Energy: 1.3159681214005852
Energy: 1.391440066127427
Energy: 1.1905090697953202
Energy: 1.1905821547622983
Energy: 1.1905090697953202
Energy: 1.3828726433653664
Energy: 1.194573424443543
Energy: 1.1944637182236595
Energy: 1.1945734244448856
Energy: 1.380594600208194
Energy: 1.227723186921565
Energy: 1.380057011087789
Energy: 1.227723186921565
Energy: 1.391640471429432
Energy: 1.1639825252514777
Energy: 1.3820104486068503
Energy: 1.1639825252514777
Energy: 1.3381288937532712
Energy: 1.1627768886731136
Energy: 1.3758947178940069
Energy: 1.1627768886731136
Energy: 1.220507350124958
Energy: 1.220840348229129
Energy: 1.4069389889228296
Energy: 1.2208403482277865
Energy: 1.1768894359110493
Energy: 1.1619035855686273
Energy: 1.390857541519365
Energy: 1.1619035855686273
Energy: 1.1814170130342836
Energy: 1.1751739519455702
Energy: 1.3908010681279082
Energy: 1.1751739519428852
Energy: 1.186518212920222
Energy: 1.164945658815359
Energy: 1.377316388708749
Energy: 1.164945658815359
Energy: 1.3886223028673657
Energy: 1.1827494895054331
Energy: 1.3931193246958742
Energy: 1.1827494895054331
Energy: 1.3789341965375952
Energy: 1.183173273493469
Energy: 1.3873413992632184
Energy: 1.1831732734921265
Energy: 1.378772011835808
Energy: 1.1625789245107272
Energy: 1.1853582349269192
Energy: 1.1625789245107272
Energy: 1.3910057341121105
Energy: 1.1619046442445937
Energy: 1.1808044827019626
Energy: 1.1619046442445937
Energy: 1.390970287778519
Energy: 1.1624536516265844
Energy: 1.2011553673978945
Energy: 1.1624536516252422
Energy: 1.3969270755652325
Energy: 1.161758470281065
Energy: 1.1630133840127637
Energy: 1.161758470281065
Energy: 1.3952989443701187
Energy: 1.1739792843523775
Energy: 1.3525142536622403
Energy: 1.1739792843523775
Energy: 1.3808826207147225
Energy: 1.1623643008123519
Energy: 1.3790869867464248
Energy: 1.1623643008123519
Energy: 1.1909657742138193
Energy: 1.2273940358520954
Energy: 1.3656387354621813
Energy: 1.2273940358520954
Energy: 1.1938397479333749
Energy: 1.1940990839961687
Energy: 1.3775491952799541
Energy: 1.1940990839961687
Energy: 1.191805970791652
Energy: 1.190787177546428
Energy: 1.3783286457289454
Energy: 1.190787177546428
Energy: 1.3169912397893015
Energy: 1.3013801647405314
Energy: 1.3871519347136863
Energy: 1.301380164739189
Energy: 1.258704619968629
Energy: 1.1918050473985526
Energy: 1.394583673734985
Energy: 1.1918050473985526
Energy: 1.344504897899856
Energy: 1.191176187663499
Energy: 1.377986969213981
Energy: 1.191176187663499
Energy: 1.2948650005335847
Energy: 1.1903527210675857
Energy: 1.3791424393679008
Energy: 1.1903527210675857
Energy: 1.3086858214347894
Energy: 1.2293701549384883
Energy: 1.2986570356603582
Energy: 1.229370154939831
Energy: 1.3923325047594974
Energy: 1.1905979571149004
Energy: 1.295229475771697
Energy: 1.1905979571162428
Energy: 1.3784539491053716
Energy: 1.1909654683090125
Energy: 1.4218123442734338
Energy: 1.1909654683090125
Energy: 1.4020756511122192
Energy: 1.1920087967391815
Energy: 1.2445785927275235
Energy: 1.1920087967405242

minimum gb energy = 1.161758470281065 eV
minimum distance =  2.30663920030243 Angstroms
sigma value = 53


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

Energy: 1.1311086847333414
Energy: 1.1386770566376778
Energy: 1.1712312530601234
Energy: 1.1697033461951003
Energy: 1.1341289181522598
Energy: 1.1719043909078954
Energy: 1.2222869831247094
Energy: 1.1719043909078954
Energy: 1.3109458153286397
Energy: 1.1774849518543338
Energy: 1.2202117790731608
Energy: 1.17748495185465
Energy: 1.30895193796134
Energy: 1.2228242933202245
Energy: 1.307421733879408
Energy: 1.2228242933205404
Energy: 1.3088105166870185
Energy: 1.1745753509311048
Energy: 1.2232220221348298
Energy: 1.1745753509317367
Energy: 1.3094818268782658
Energy: 1.1747061989792926
Energy: 1.3069828953783902
Energy: 1.1747061989789767
Energy: 1.3091181878565095
Energy: 1.1784789653843206
Energy: 1.1347781841768345
Energy: 1.1784789653840395
Energy: 1.2205419214604416
Energy: 1.1756862036617737
Energy: 1.1351905875808528
Energy: 1.1756862036617737
Energy: 1.2228431290327466
Energy: 1.1751112440482026
Energy: 1.309171192480274
Energy: 1.1751112440482026
Energy: 1.2203772370749386
Energy: 1.1782300754227473
Energy: 1.310737633561865
Energy: 1.1782300754218342
Energy: 1.2206851984740485
Energy: 1.1694845250397294
Energy: 1.308765582397914
Energy: 1.1694845250400456
Energy: 1.3084233557577276
Energy: 1.2202072547732319
Energy: 1.3086532109794922
Energy: 1.2202072547725997
Energy: 1.1351292485225537
Energy: 1.1786305418509646
Energy: 1.3106792821186726
Energy: 1.1786305418512806

minimum gb energy = 1.1311086847333414 eV
minimum distance =  2.32553574973722 Angstroms
sigma value = 9


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

Energy: 2.0021336684872906
Energy: 1.3571995248313042
Energy: 1.408159923758148
Energy: 1.3753530036101909
Energy: 1.4742476006684146
Energy: 1.3594316064956877
Energy: 1.439526517321706
Energy: 1.3594316064968315
Energy: 1.3532980348578783
Energy: 1.3215670968370699
Energy: 1.3346497050572097
Energy: 1.321567096835926
Energy: 1.3524409475742838
Energy: 1.3244612437237282
Energy: 1.3322789188596913
Energy: 1.324461243724872
Energy: 1.3311037521009907
Energy: 1.3192475416707012
Energy: 1.3690765792677553
Energy: 1.3192475416707012
Energy: 1.42733317968222
Energy: 1.3482076998931178
Energy: 1.4119755524637208
Energy: 1.3482076998954056
Energy: 1.4395987712438518
Energy: 1.4404265088562533
Energy: 1.642174166413743
Energy: 1.440426508857397
Energy: 1.5343839778141095
Energy: 1.4390720105482457
Energy: 1.5797171801909302
Energy: 1.4390720105482457
Energy: 1.5196746131447756
Energy: 1.254110812944827
Energy: 1.4406877391977884
Energy: 1.2541108129459708
Energy: 1.3940203707587229
Energy: 1.253536801554083
Energy: 1.254643854516246
Energy: 1.253536801554083
Energy: 1.5030808731295329
Energy: 1.2542254427322543
Energy: 1.2515285742229316
Energy: 1.2542254427311104
Energy: 1.4773003833640161
Energy: 1.3290584553922997
Energy: 1.3315935374760273
Energy: 1.3290584553922997
Energy: 1.5815466111112433
Energy: 1.3283760664032003
Energy: 1.328059544629894
Energy: 1.3283760664032003
Energy: 1.5811668790363669
Energy: 1.3285690435606519
Energy: 1.5282851978765397
Energy: 1.3285690435606519
Energy: 1.479292571973116
Energy: 1.2597098509780402
Energy: 1.5272369409124862
Energy: 1.2597098509780402
Energy: 1.345808928506008
Energy: 1.2467837536910185
Energy: 1.5530041979446239
Energy: 1.2467837536921624
Energy: 1.2450561700645948
Energy: 1.2460566621585207
Energy: 1.6021798625994976
Energy: 1.2460566621585207
Energy: 1.3233826364317975
Energy: 1.3177524266372855
Energy: 1.5498211264217354
Energy: 1.3177524266372855
Energy: 1.2682888627358946
Energy: 1.2706418645659538
Energy: 1.5854638190533528
Energy: 1.2706418645659538
Energy: 1.3710130699479286
Energy: 1.2966514447183315
Energy: 1.598819906480516
Energy: 1.2966514447171875
Energy: 1.494295769615881
Energy: 1.2794647184065762
Energy: 1.4937399476468198
Energy: 1.2794647184054324
Energy: 1.5268238844397024
Energy: 1.2707711257271361
Energy: 1.4929967190180484
Energy: 1.2707711257271361
Energy: 1.5249333272154006
Energy: 1.2710399619483461
Energy: 1.2703326916219513
Energy: 1.2710399619483461
Energy: 1.5277960726955344
Energy: 1.2946363764957953
Energy: 1.2706496643747098
Energy: 1.2946363764969393
Energy: 1.6058446774403026
Energy: 1.2459850651729951
Energy: 1.2432006442747368
Energy: 1.245985065174139
Energy: 1.4752897215590948
Energy: 1.2462204914276258
Energy: 1.2463455662853333
Energy: 1.2462204914287698
Energy: 1.5492082246540713
Energy: 1.245510290260396
Energy: 1.4994274554185547
Energy: 1.245510290260396
Energy: 1.5266931652750686
Energy: 1.333784517609954
Energy: 1.6360583286026755
Energy: 1.3337845176110978
Energy: 1.3277168615247874
Energy: 1.3378495460172268
Energy: 1.6440934551654942
Energy: 1.3378495460172268
Energy: 1.3269292121234353
Energy: 1.3757439045874353
Energy: 1.5608851846423466
Energy: 1.3757439045885793
Energy: 1.2539673556258133
Energy: 1.327785583753357
Energy: 1.5127763378106416
Energy: 1.3277855837510693
Energy: 1.2544531576486784
Energy: 1.2547843927641025
Energy: 1.4888029558744753
Energy: 1.2547843927641025
Energy: 1.2536233682916902
Energy: 1.2548185163868568
Energy: 1.4760254145332368
Energy: 1.2548185163857128
Energy: 1.423668681792113
Energy: 1.3488104142296502
Energy: 1.522620228160183
Energy: 1.348810414230794
Energy: 1.6430480685118358
Energy: 1.4223787185951333
Energy: 1.4828533457102198
Energy: 1.4223787185939893

minimum gb energy = 1.2432006442747368 eV
minimum distance =  2.29093644458476 Angstroms
sigma value = 73


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

Energy: 1.7843633038320685
Energy: 1.3801145176909582
Energy: 1.4136560706403771
Energy: 1.4142843118644728
Energy: 1.5217205869886208
Energy: 1.3472556018903703
Energy: 1.4286316579353346
Energy: 1.347255601890185
Energy: 1.3571971083845669
Energy: 1.3155430027974382
Energy: 1.3546618559258818
Energy: 1.315543002796902
Energy: 1.355485618883342
Energy: 1.3173822306885719
Energy: 1.3510542531372036
Energy: 1.3173822306893141
Energy: 1.3495696056477788
Energy: 1.3272454500011384
Energy: 1.379027434141035
Energy: 1.327245450000953
Energy: 1.4118759312221905
Energy: 1.3589927725793627
Energy: 1.4584668587216267
Energy: 1.3589927725791773
Energy: 1.4298844809449738
Energy: 1.4305854857723126
Energy: 1.5888673665089283
Energy: 1.4305854857723126
Energy: 1.5750315465147506
Energy: 1.4300092722765045
Energy: 1.588694009960694
Energy: 1.4300092722768551
Energy: 1.5598381251383593
Energy: 1.240107615376912
Energy: 1.4577989218038325
Energy: 1.240107615376747
Energy: 1.4427932786286533
Energy: 1.2424748723103076
Energy: 1.2401130492968768
Energy: 1.2424748723104933
Energy: 1.5576373308131835
Energy: 1.2398771344884063
Energy: 1.23654783793469
Energy: 1.2398771344882413
Energy: 1.497083484606692
Energy: 1.3745461745027747
Energy: 1.2718534433007802
Energy: 1.3745461745025893
Energy: 1.5508402590398964
Energy: 1.2721657692923523
Energy: 1.2721258145587104
Energy: 1.2721657692921666
Energy: 1.5507356173896119
Energy: 1.272861012736119
Energy: 1.5085888165213701
Energy: 1.272861012735954
Energy: 1.5665676647314517
Energy: 1.331733032574368
Energy: 1.566703427574151
Energy: 1.3317330325749042
Energy: 1.5941349520795298
Energy: 1.2724637985699205
Energy: 1.6419089318607563
Energy: 1.2724637985691984
Energy: 1.2718889360136496
Energy: 1.2719339452691623
Energy: 1.639645633689408
Energy: 1.2719339452688116
Energy: 1.2889144634340919
Energy: 1.3413730698018147
Energy: 1.4976487285196118
Energy: 1.3413730698016288
Energy: 1.2390009258753802
Energy: 1.240166590118013
Energy: 1.5697273494451065
Energy: 1.2401665901183845
Energy: 1.24086421156977
Energy: 1.2408234484723661
Energy: 1.5601370027776917
Energy: 1.2408234484727374
Energy: 1.4581994175099537
Energy: 1.240923761282274
Energy: 1.5636567760876015
Energy: 1.2409237612820887
Energy: 1.6350275463142854
Energy: 1.4537268284440066
Energy: 1.5754201026957995
Energy: 1.4537268284441918

minimum gb energy = 1.23654783793469 eV
minimum distance =  2.28884598706618 Angstroms
sigma value = 7


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

Energy: 2.4192348512968214
Energy: 1.3118159526856181
Energy: 1.4089654820799713
Energy: 1.4087813922347863
Energy: 1.6804759494680688
Energy: 1.3103681307473671
Energy: 1.4371120270968865
Energy: 1.3103681307473671
Energy: 1.4714857708120646
Energy: 1.2912127187463698
Energy: 1.3701615499387894
Energy: 1.2912127187463698
Energy: 1.3710072918971479
Energy: 1.2915090908341635
Energy: 1.3665025739565244
Energy: 1.2915090908341635
Energy: 1.3669374035774953
Energy: 1.2946735151608773
Energy: 1.373549964610736
Energy: 1.2946735151608773
Energy: 1.4038463417350062
Energy: 1.3114949305709747
Energy: 1.4707793113468566
Energy: 1.3114949305709747
Energy: 1.4395435134311667
Energy: 1.440873912463724
Energy: 1.6555316292148976
Energy: 1.440873912463724
Energy: 1.6439586893411078
Energy: 1.439194510425893
Energy: 1.6557015310484957
Energy: 1.439194510425893
Energy: 1.6083705603812093
Energy: 1.2553453917452482
Energy: 1.5548975808601129
Energy: 1.2553453917452482
Energy: 1.493354611292698
Energy: 1.2605814038024057
Energy: 1.2561680210528634
Energy: 1.2605814038024057
Energy: 1.606839001897724
Energy: 1.2557070599536262
Energy: 1.251448612025644
Energy: 1.2557070599536262
Energy: 1.5504675573175908
Energy: 1.2610266967009502
Energy: 1.2556197231064405
Energy: 1.2610266967009502
Energy: 1.6087855783509484
Energy: 1.2562595833055423
Energy: 1.2570245025474855
Energy: 1.2562595833055423
Energy: 1.608194713772318
Energy: 1.2574292584636224
Energy: 1.4517511339929832
Energy: 1.2574292584649056
Energy: 1.6462320702790354
Energy: 1.3096257769479513
Energy: 1.5558576367965895
Energy: 1.3096257769479513
Energy: 1.630590102755994
Energy: 1.4586630886583334
Energy: 1.6796364327137423
Energy: 1.4586630886583334
Energy: 1.4392025364992898
Energy: 1.3117405663717001
Energy: 1.6789770382650058
Energy: 1.3117405663717001
Energy: 1.391648246501915
Energy: 1.2951222015397916
Energy: 1.4708419251680187
Energy: 1.2951222015397916
Energy: 1.3695819822867972
Energy: 1.2964406686064576
Energy: 1.3731369133904856
Energy: 1.2964406686077408
Energy: 1.3724515120570335
Energy: 1.2958069685458906
Energy: 1.3712134705269696
Energy: 1.2958069685458906
Energy: 1.4716897169198586
Energy: 1.2946276691300056
Energy: 1.4060667618794989
Energy: 1.2946276691312888
Energy: 1.655735214337132
Energy: 1.4397098066815133
Energy: 1.4406226507542517
Energy: 1.4397098066815133
Energy: 1.6556493836501114
Energy: 1.4401214750178049
Energy: 1.6468101836924178
Energy: 1.440121475019088
Energy: 1.555518375754489
Energy: 1.255381599608576
Energy: 1.619664106295382
Energy: 1.2553815996072926
Energy: 1.4518479750747095
Energy: 1.2589316654278593
Energy: 1.4935374376781299
Energy: 1.2589316654291427
Energy: 1.252617867652695
Energy: 1.2557656568136433
Energy: 1.490590235911181
Energy: 1.2557656568136433
Energy: 1.2562476207431248
Energy: 1.2596069934278036
Energy: 1.5456155441098394
Energy: 1.2596069934278036
Energy: 1.2529879257830572
Energy: 1.2556851071517126
Energy: 1.6081079026684995
Energy: 1.2556851071517126
Energy: 1.2560944660597382
Energy: 1.258597065558812
Energy: 1.6081196881026654
Energy: 1.258597065558812
Energy: 1.555906153056523
Energy: 1.255403096542821
Energy: 1.6198650842888827
Energy: 1.2554030965415375
Energy: 1.6788939658638826
Energy: 1.3109241257583217
Energy: 1.6272168793216037
Energy: 1.3109241257583217

minimum gb energy = 1.251448612025644 eV
minimum distance =  2.29892575283927 Angstroms
sigma value = 29


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

Energy: 1.6986873785405003
Energy: 1.140461138675408
Energy: 1.3160127776973982
Energy: 1.312437378253202
Energy: 1.4826334724163588
Energy: 1.199189048595114
Energy: 1.3138082930483905
Energy: 1.199189048595114
Energy: 1.3230432839861475
Energy: 1.1964918829233655
Energy: 1.316449813813918
Energy: 1.1964918829229432
Energy: 1.316349295922281
Energy: 1.1945423890895868
Energy: 1.1136519435435563
Energy: 1.1945423890891644
Energy: 1.318641313228998
Energy: 1.194187963320684
Energy: 1.3534507913121125
Energy: 1.194187963320684
Energy: 1.3109286916803458
Energy: 1.1925642358147295
Energy: 1.35419742452834
Energy: 1.1925642358147295
Energy: 1.3738142930540018
Energy: 1.3729293585093287
Energy: 1.3041471345465294
Energy: 1.3729293585097757
Energy: 1.3702669115100945
Energy: 1.2003495992112214
Energy: 1.376277077210708
Energy: 1.2003495992116435
Energy: 1.4861022364032468
Energy: 1.1996543128381867
Energy: 1.3549347154154552
Energy: 1.1996543128381867

minimum gb energy = 1.1136519435435563 eV
minimum distance =  2.36494342471248 Angstroms
sigma value = 5


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

Energy: 1.6674870524192862
Energy: 1.5280265522096275
Energy: 1.494302680026966
Energy: 1.580384522723562
Energy: 1.2891894077597648
Energy: 1.2192538485391624
Energy: 1.4649031469915408
Energy: 1.2192538485403743
Energy: 1.2121236051656175
Energy: 1.2152525699285153
Energy: 1.413733849221523
Energy: 1.2152525699297276
Energy: 1.2074697291206058
Energy: 1.216969226418399
Energy: 1.4465836079371728
Energy: 1.216969226419611
Energy: 1.208924558368251
Energy: 1.2177314354273097
Energy: 1.2871803403798765
Energy: 1.2177314354260975
Energy: 1.2339003733507803
Energy: 1.2457223858821596
Energy: 1.2504021562801093
Energy: 1.2457223858809474
Energy: 1.2331084436644757
Energy: 1.2463229623677436
Energy: 1.3961132967045378
Energy: 1.2463229623677436
Energy: 1.2375190088555161
Energy: 1.2435200891299436
Energy: 1.4036016319131004
Energy: 1.2435200891287315
Energy: 1.2372431595892868
Energy: 1.2447920799879915
Energy: 1.360972378354878
Energy: 1.2447920799879915
Energy: 1.4095791676010683
Energy: 1.4384945428026092
Energy: 1.5152474651654806
Energy: 1.4384945428026092
Energy: 1.2374296535504292
Energy: 1.2641563917133212
Energy: 1.4528027631136544
Energy: 1.2641563917133212
Energy: 1.5270283593023257
Energy: 1.292553817685114
Energy: 1.3804008983931055
Energy: 1.292553817685114
Energy: 1.4171211055150859
Energy: 1.3578370744251347
Energy: 1.5248864768624286
Energy: 1.357837074426347
Energy: 1.2507829842077303
Energy: 1.2460792104205867
Energy: 1.2373917259000091
Energy: 1.2460792104205867
Energy: 1.3961323588916479
Energy: 1.2454680440764645
Energy: 1.2369795356988091
Energy: 1.2454680440764645
Energy: 1.3940217073206287
Energy: 1.2436549572766993
Energy: 1.2373096959692265
Energy: 1.2436549572766993
Energy: 1.3148032431475645
Energy: 1.2476571912952859
Energy: 1.2714472672298167
Energy: 1.2476571912952859
Energy: 1.4873703147210326
Energy: 1.2155689585941514
Energy: 1.207437574858881
Energy: 1.2155689585953635
Energy: 1.4909138197462872
Energy: 1.2557826511579209
Energy: 1.2113230688608079
Energy: 1.2557826511579209
Energy: 1.4881720687940043
Energy: 1.2164659576998942
Energy: 1.211829708873882
Energy: 1.2164659576998942
Energy: 1.5676988958813691
Energy: 1.3297020551523402
Energy: 1.3236499024315356
Energy: 1.3297020551535526
Energy: 1.6772212045334924
Energy: 1.4788122494959457
Energy: 1.3233391431554984
Energy: 1.4788122494971576
Energy: 1.2983047180285214
Energy: 1.2182601560205593
Energy: 1.2120156300788267
Energy: 1.2182601560193473
Energy: 1.529135828950229
Energy: 1.2586966062067186
Energy: 1.3187584287387915
Energy: 1.2586966062067186
Energy: 1.5257638254040131
Energy: 1.2161115237628783
Energy: 1.2561053196923095
Energy: 1.2161115237616662
Energy: 1.2963769536811502
Energy: 1.2616824379365301
Energy: 1.3026757570879512
Energy: 1.261682437935318
Energy: 1.2931163046441816
Energy: 1.2615844157454617
Energy: 1.2957322353516616
Energy: 1.2615844157454617
Energy: 1.2965074281198898
Energy: 1.2581502903826733
Energy: 1.2930302827385125
Energy: 1.258150290381461
Energy: 1.2272588809174618
Energy: 1.2607966451870123
Energy: 1.2988328673971488
Energy: 1.2607966451870123
Energy: 1.2553772561761742
Energy: 1.2571375410858543
Energy: 1.4872883709317495
Energy: 1.2571375410870664
Energy: 1.3190367354121446
Energy: 1.2578149377736638
Energy: 1.4861336724601144
Energy: 1.2578149377748762
Energy: 1.2129034242253425
Energy: 1.218666481690911
Energy: 1.328341436352686
Energy: 1.218666481690911
Energy: 1.2456844951537043
Energy: 1.5704459256094683
Energy: 1.560527711836866
Energy: 1.5704459256094683

minimum gb energy = 1.207437574858881 eV
minimum distance =  2.29679313914668 Angstroms
sigma value = 1


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

Energy: 2.0316418777323717
Energy: 1.1546659692194907
Energy: 1.4298795030782763
Energy: 1.4274104588932617
Energy: 1.2082978818685888
Energy: 1.1905069086056592
Energy: 1.18477244773636
Energy: 1.1905069086056592
Energy: 1.1914658423983122
Energy: 1.188750394739554
Energy: 1.2424220526337721
Energy: 1.188750394739554
Energy: 1.1859445230614234
Energy: 1.1921888055556107
Energy: 1.2089258743936955
Energy: 1.1921888055556107
Energy: 1.185252982485067
Energy: 1.2301399014149659
Energy: 1.2429985071490368
Energy: 1.2301399014149659
Energy: 1.1845304593661663
Energy: 1.194920716126518
Energy: 1.2415401197208127
Energy: 1.194920716126518
Energy: 1.1846666853306331
Energy: 1.1930711380307277
Energy: 1.242857663373134
Energy: 1.193071138032404
Energy: 1.190968031019238
Energy: 1.188956727978825
Energy: 1.2402062367445845
Energy: 1.188956727978825
Energy: 1.1899514058797869
Energy: 1.2383736469764204
Energy: 1.1833488189389507
Energy: 1.2383736469764204
Energy: 1.2300035412050971
Energy: 1.4384060400057124
Energy: 1.4359577069958986
Energy: 1.4384060400057124
Energy: 1.1898943627509289
Energy: 1.2372719904742624
Energy: 1.1899111045939887
Energy: 1.2372719904742624
Energy: 1.190108221625893
Energy: 1.189720792891562
Energy: 1.208632629670304
Energy: 1.189720792889886
Energy: 1.180309471613846
Energy: 1.1919463028556825
Energy: 1.2087164319022397
Energy: 1.1919463028556825
Energy: 1.1847045651671684
Energy: 1.2358735878812934
Energy: 1.2163198720364916
Energy: 1.2358735878812934
Energy: 1.2089425492230947
Energy: 1.1911691150846844
Energy: 1.1904873755555176
Energy: 1.1911691150846844
Energy: 1.2090695661255368
Energy: 1.1883094327545651
Energy: 1.1890417329213998
Energy: 1.1883094327545651
Energy: 1.2387955218099833
Energy: 1.1980752453171009
Energy: 1.2112784041420197
Energy: 1.1980752453171009
Energy: 1.241091328513244
Energy: 1.1888302562458197
Energy: 1.1894088940270886
Energy: 1.1888302562458197
Energy: 1.2426892909362879
Energy: 1.196439673432474
Energy: 1.1886222590610898
Energy: 1.196439673432474
Energy: 1.2417211025693053
Energy: 1.1922198870572003
Energy: 1.1900993386338008
Energy: 1.1922198870572003
Energy: 1.4220694633692426
Energy: 1.1901747565087832
Energy: 1.2304510859270221
Energy: 1.1901747565087832
Energy: 1.439813184632574
Energy: 1.424582859456351
Energy: 1.23070154063028
Energy: 1.424582859456351
Energy: 1.2136588080985886
Energy: 1.2354758867911475
Energy: 1.190177888234034
Energy: 1.2354758867911475
Energy: 1.2083453839917249
Energy: 1.1917858384427933
Energy: 1.1900843164547221
Energy: 1.1917858384444313

minimum gb energy = 1.1546659692194907 eV
minimum distance =  2.29530664180757 Angstroms
sigma value = 17


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

Energy: 1.6228551286952015
Energy: 1.5281548437839017
Energy: 1.729907613642234
Energy: 1.634024279021087
Energy: 1.1891551412420445
Energy: 1.2202685614679953
Energy: 1.2126389859865567
Energy: 1.2202685614679953
Energy: 1.188538270807557
Energy: 1.190790524860188
Energy: 1.4248772308925444
Energy: 1.190790524861224
Energy: 1.1883045900929847
Energy: 1.1928755582643702
Energy: 1.4293991583632866
Energy: 1.1928755582643702
Energy: 1.1897648241772698
Energy: 1.19404665280418
Energy: 1.3286312053029852
Energy: 1.194046652807288
Energy: 1.255891933453751
Energy: 1.2194462160482384
Energy: 1.2672824198633041
Energy: 1.2194462160472026
Energy: 1.2565529169874943
Energy: 1.2203787526840224
Energy: 1.2551031082638262
Energy: 1.2203787526829863
Energy: 1.2721260464792592
Energy: 1.2207324564164155
Energy: 1.2538229608382199
Energy: 1.2207324564184876
Energy: 1.327234769267192
Energy: 1.1911512999996112
Energy: 1.1872601678369932
Energy: 1.191151300000647
Energy: 1.3900918287133592
Energy: 1.1950833142821145
Energy: 1.1914636951810589
Energy: 1.1950833142810782
Energy: 1.2122646759738138
Energy: 1.1926244255859464
Energy: 1.1887431893709368
Energy: 1.1926244255859464
Energy: 1.499388472347981
Energy: 1.2165563702259525
Energy: 1.212547033113386
Energy: 1.2165563702259525
Energy: 1.5168212629824114
Energy: 1.4433044942579085
Energy: 1.2117420701488613
Energy: 1.4433044942579085
Energy: 1.215427745136994
Energy: 1.1984253461680914
Energy: 1.1887451975412118
Energy: 1.198425346167055
Energy: 1.4239988181770091
Energy: 1.1912372234192306
Energy: 1.296805643387255
Energy: 1.1912372234181943
Energy: 1.2238019350464957
Energy: 1.1904178113921882
Energy: 1.2628320836652913
Energy: 1.1904178113942603
Energy: 1.215120404823392
Energy: 1.2190706958243576
Energy: 1.3223615485808689
Energy: 1.2190706958233215
Energy: 1.2139551099400259
Energy: 1.2217226552399971
Energy: 1.3247731603254662
Energy: 1.2217226552399971
Energy: 1.2199527566161872
Energy: 1.2150503849246848
Energy: 1.3247435338192302
Energy: 1.2150503849246848
Energy: 1.2415427002947943
Energy: 1.260181910818018
Energy: 1.3456025287829345
Energy: 1.2601819108190537
Energy: 1.2013398978350358
Energy: 1.204033803072768
Energy: 1.3947397394936634
Energy: 1.204033803070696
Energy: 1.2024021232748152
Energy: 1.205229851735626
Energy: 1.3976228620835267
Energy: 1.205229851736662
Energy: 1.1982730999598914
Energy: 1.2087608516298658
Energy: 1.1909300502137086
Energy: 1.2087608516288297
Energy: 1.3237438717405963
Energy: 1.431632962073035
Energy: 1.4334386293730657
Energy: 1.431632962073035
Energy: 1.2133717114189835
Energy: 1.2042846999235595
Energy: 1.3128942323652437
Energy: 1.2042846999225234
Energy: 1.1973985621407088
Energy: 1.2057116214702115
Energy: 1.1993744949321656
Energy: 1.2057116214702115
Energy: 1.491837248524167
Energy: 1.4669908530538025
Energy: 1.221568402337898
Energy: 1.4669908530558744
Energy: 1.1979306005831687
Energy: 1.2047543856646106
Energy: 1.2049670234360772
Energy: 1.2047543856656464
Energy: 1.3940227376016776
Energy: 1.204281309742229
Energy: 1.1984690845447172
Energy: 1.204281309742229
Energy: 1.3609041220781133
Energy: 1.2071434090219673
Energy: 1.1963393938952591
Energy: 1.2071434090219673
Energy: 1.3956341976775932
Energy: 1.2067209228800457
Energy: 1.1967327736494198
Energy: 1.2067209228790094
Energy: 1.3425068461726997
Energy: 1.2219259667628164
Energy: 1.2150153768707739
Energy: 1.2219259667628164
Energy: 1.3262931250822558
Energy: 1.2180667689788778
Energy: 1.214980259537019
Energy: 1.2180667689788778
Energy: 1.3398331710326514
Energy: 1.216264968583142
Energy: 1.2155990556906562
Energy: 1.21626496858107
Energy: 1.1862450383795895
Energy: 1.191561049723384
Energy: 1.2158258955996772
Energy: 1.1915610497244202
Energy: 1.2638458430105626
Energy: 1.2968957101757541
Energy: 1.3350118846517924
Energy: 1.2968957101747183
Energy: 1.1885275101093586
Energy: 1.1921011722811294
Energy: 1.2157118005174032
Energy: 1.1921011722821655
Energy: 1.2032808441956306
Energy: 1.2168386574346124
Energy: 1.4370984124704937
Energy: 1.2168386574346124

minimum gb energy = 1.1862450383795895 eV
minimum distance =  2.2875736505236 Angstroms
sigma value = 89


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

Energy: 2.1980943243164885
Energy: 1.1409219807644297
Energy: 1.4765337140483938
Energy: 1.4067684636987514
Energy: 1.1253419599170191
Energy: 1.1478924549006095
Energy: 1.134093341339232
Energy: 1.147892454900055
Energy: 1.1390081250953363
Energy: 1.1451029791729799
Energy: 1.2635173516053333
Energy: 1.1451029791732568
Energy: 1.1323801371552504
Energy: 1.1459881541182366
Energy: 1.2644503452849716
Energy: 1.1459881541182366
Energy: 1.1354400146471801
Energy: 1.1500305824459507
Energy: 1.2284532687309713
Energy: 1.1500305824467825
Energy: 1.2027434802248795
Energy: 1.147941625431575
Energy: 1.1987043519981588
Energy: 1.1479416254318522
Energy: 1.2029128969185863
Energy: 1.1458994664326039
Energy: 1.2040031091282855
Energy: 1.1458994664323268
Energy: 1.2277416400270442
Energy: 1.147089672788205
Energy: 1.197916232725619
Energy: 1.147089672788205
Energy: 1.2139877055684354
Energy: 1.146538466890572
Energy: 1.1330397249903976
Energy: 1.1465384668908494
Energy: 1.2146337955117914
Energy: 1.1545533897994873
Energy: 1.1367210594485428
Energy: 1.1545533898002882
Energy: 1.2138596833023532
Energy: 1.145321170914724
Energy: 1.139963332858045
Energy: 1.1453211709149702
Energy: 1.134405215212272
Energy: 1.1448081595175938
Energy: 1.2087693060178806
Energy: 1.1448081595175938
Energy: 1.4187464589917675
Energy: 1.1341232456589143
Energy: 1.2089799353759545
Energy: 1.1341232456591916
Energy: 1.1387415840191122
Energy: 1.2419286583435485
Energy: 1.1387426233296587
Energy: 1.241928658343302
Energy: 1.125629727767057
Energy: 1.1466004557538765
Energy: 1.1383095336335214
Energy: 1.1466004557533218

minimum gb energy = 1.1253419599170191 eV
minimum distance =  2.30034851966078 Angstroms
sigma value = 13


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

Energy: 1.3843050468373443
Energy: 1.2476941803947226
Energy: 1.4303929124625687
Energy: 1.4280261706413158
Energy: 1.1205654450797171
Energy: 1.1371697448431883
Energy: 1.1346695544841086
Energy: 1.1371697448431883
Energy: 1.1338425801040861
Energy: 1.1329917625156223
Energy: 1.323591119493088
Energy: 1.1329917625156223
Energy: 1.1338658632781462
Energy: 1.1325198264232983
Energy: 1.3223592606217511
Energy: 1.1325198264244345
Energy: 1.1369855884975044
Energy: 1.1361052033737635
Energy: 1.2064245499195914
Energy: 1.1361052033726275
Energy: 1.2457986003316541
Energy: 1.120816564964906
Energy: 1.1577133560287616
Energy: 1.1208165649660422
Energy: 1.2459724500709584
Energy: 1.119759024924682
Energy: 1.171115959812891
Energy: 1.119759024924682
Energy: 1.280897505609573
Energy: 1.198942088743744
Energy: 1.1565460005429054
Energy: 1.1989420887426079
Energy: 1.241438193818852
Energy: 1.1226640064341278
Energy: 1.1574427566949979
Energy: 1.1226640064329916
Energy: 1.2551260875643975
Energy: 1.122091015967298
Energy: 1.1543790308248774
Energy: 1.122091015967298
Energy: 1.2556760164157277
Energy: 1.1472136974993874
Energy: 1.166944510416592
Energy: 1.1472136974982512
Energy: 1.145974091207099
Energy: 1.1286071325112732
Energy: 1.1275673808749327
Energy: 1.1286071325112732
Energy: 1.1453901150689323
Energy: 1.128904080045614
Energy: 1.1272381923588477
Energy: 1.128904080045614
Energy: 1.147166940783164
Energy: 1.245286371426658
Energy: 1.1267951383762902
Energy: 1.245286371426658
Energy: 1.2317294643772267
Energy: 1.1013358551767505
Energy: 1.4965992609684815
Energy: 1.1013358551756143
Energy: 1.2317558503945607
Energy: 1.1007857913645924
Energy: 1.1093299417216287
Energy: 1.1007857913645924
Energy: 1.125913490506513
Energy: 1.1597618785821506
Energy: 1.1044920869783807
Energy: 1.1597618785832866
Energy: 1.1297271125619384
Energy: 1.1159864116210858
Energy: 1.28897674872351
Energy: 1.1159864116210858
Energy: 1.1325760446124409
Energy: 1.1158568151366715
Energy: 1.1043325273847029
Energy: 1.1158568151378074
Energy: 1.2415768649589078
Energy: 1.1025881222434544
Energy: 1.1044848940875724
Energy: 1.1025881222434544
Energy: 1.5086060222578594
Energy: 1.2424150142200567
Energy: 1.2306371477610658
Energy: 1.2424150142200567
Energy: 1.2175937123046248
Energy: 1.1030992850628527
Energy: 1.1293268375262904
Energy: 1.103099285063989
Energy: 1.1710760830832314
Energy: 1.118303503605013
Energy: 1.166279519660677
Energy: 1.118303503605013
Energy: 1.1665313198645182
Energy: 1.117102716713496
Energy: 1.1997015359681449
Energy: 1.117102716713496
Energy: 1.1661454409343024
Energy: 1.1232976814063018
Energy: 1.1989275676923816
Energy: 1.123297681407438
Energy: 1.1633838333173219
Energy: 1.1259257736677286
Energy: 1.241312815697238
Energy: 1.125925773670001
Energy: 1.1644635685186542
Energy: 1.1225941618620225
Energy: 1.2464380746044088
Energy: 1.1225941618620225
Energy: 1.1673252748858163
Energy: 1.1235451071722022
Energy: 1.249128845469954
Energy: 1.123545107171066
Energy: 1.207102191556588
Energy: 1.1352232021995263
Energy: 1.1366179094822262
Energy: 1.1352232021995263
Energy: 1.2642857590943357
Energy: 1.1360135694145677
Energy: 1.1376303656801579
Energy: 1.1360135694145677
Energy: 1.228182303640301
Energy: 1.1398155753783425
Energy: 1.1365848732030281
Energy: 1.1398155753794785
Energy: 1.1345729045968318
Energy: 1.1323300788185913
Energy: 1.23136374591155
Energy: 1.1323300788197272
Energy: 1.4023662886666939
Energy: 1.132792750586755
Energy: 1.2316731046384486
Energy: 1.132792750586755
Energy: 1.133748404309177
Energy: 1.2143575353389917
Energy: 1.1355051065977018
Energy: 1.2143575353378557
Energy: 1.1206969395748991
Energy: 1.2620856064181516
Energy: 1.2725735147797654
Energy: 1.2620856064181516

minimum gb energy = 1.1007857913645924 eV
minimum distance =  2.29527075547031 Angstroms
sigma value = 37


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

Energy: 1.31827500064279
Energy: 1.0764425340520858
Energy: 1.3382498702495584
Energy: 1.3124790019849637
Energy: 1.058682613485161
Energy: 1.0664748858058455
Energy: 1.0699185211272362
Energy: 1.0664748858058455
Energy: 1.071292734032241
Energy: 1.0695346777094459
Energy: 1.2179412298126946
Energy: 1.0695346777090682
Energy: 1.0697335873769864
Energy: 1.0673563418599874
Energy: 1.250750579933922
Energy: 1.0673563418597876
Energy: 1.1224700645980956
Energy: 1.0804561758240676
Energy: 1.127615252281847
Energy: 1.0804561758244453
Energy: 1.1321883439405889
Energy: 1.036309371050747
Energy: 1.0695924872979237
Energy: 1.036309371050547
Energy: 1.132157506706366
Energy: 1.0349334104764147
Energy: 1.0695999637437785
Energy: 1.0349334104762147
Energy: 1.1716939947537257
Energy: 1.0247967410437397
Energy: 1.0697073621993882
Energy: 1.0247967410439396
Energy: 1.104396965890278
Energy: 1.021982585724855
Energy: 1.1043021193975386
Energy: 1.0219825857250546
Energy: 1.104046483880875
Energy: 1.021398913967499
Energy: 1.104525058405664
Energy: 1.021398913967499
Energy: 1.1129054570312598
Energy: 1.105699095669111
Energy: 1.1720758402356055
Energy: 1.1056990956695107
Energy: 1.0699788774117327
Energy: 1.0357668615455522
Energy: 1.1654920220692697
Energy: 1.0357668615455522
Energy: 1.068409016965311
Energy: 1.0358985961845153
Energy: 1.1661253239838791
Energy: 1.035898596184693
Energy: 1.1276787014505494
Energy: 1.037129008819478
Energy: 1.123168907835188
Energy: 1.0371290088193004
Energy: 1.1888342613202674
Energy: 1.066584964453281
Energy: 1.0715937857484794
Energy: 1.066584964453281
Energy: 1.1154543685258225
Energy: 1.0674801205022422
Energy: 1.0713104506955484
Energy: 1.0674801205022422
Energy: 1.0696156534432757
Energy: 1.0812586758741545
Energy: 1.0720761025332382
Energy: 1.0812586758735767
Energy: 1.3122960361888854
Energy: 1.3123493920340952
Energy: 1.1636445832128024
Energy: 1.3123493920338953
Energy: 1.0711557592034129
Energy: 1.0692065160849913
Energy: 1.1634024233856526
Energy: 1.0692065160853912
Energy: 1.0586826129447493
Energy: 1.066258794403268
Energy: 1.0714111770808303
Energy: 1.0662587944024684

minimum gb energy = 1.021398913967499 eV
minimum distance =  2.30755481610566 Angstroms
sigma value = 25


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

Energy: 1.2701225250333346
Energy: 1.0003386123133886
Energy: 1.2084016793528327
Energy: 1.206611101941594
Energy: 0.9915602992111375
Energy: 0.9968893183823503
Energy: 0.9984377971553554
Energy: 0.9968893183823503
Energy: 0.9987738617348583
Energy: 0.9958724563598177
Energy: 1.0039179415924515
Energy: 0.9958724563598177
Energy: 0.9983114015205266
Energy: 0.9908205514969485
Energy: 1.0988319314428967
Energy: 0.9908205514969485
Energy: 1.0020238936239847
Energy: 0.9622935557893089
Energy: 1.0012148192636983
Energy: 0.9622935557877826
Energy: 1.1011208396040462
Energy: 0.9609028990913042
Energy: 1.0008404501071377
Energy: 0.9609028990913042
Energy: 1.1009766754771362
Energy: 0.959199994260588
Energy: 1.004020053638516
Energy: 0.959199994260588
Energy: 1.041977351287624
Energy: 0.956317589734155
Energy: 1.058583117917644
Energy: 0.956317589734155
Energy: 1.0108425829652556
Energy: 0.9322293249202559
Energy: 1.0756071023063343
Energy: 0.9322293249202559
Energy: 1.0122648025135743
Energy: 0.9325634985905615
Energy: 1.0644351014234112
Energy: 0.9325634985905615
Energy: 1.002697259698094
Energy: 0.9818429141708581
Energy: 1.0688709280396544
Energy: 0.9818429141708581
Energy: 1.0323217428864229
Energy: 0.9230101528293175
Energy: 1.0323667262089251
Energy: 0.9230101528293175
Energy: 1.0439988936535947
Energy: 0.923576855415347
Energy: 1.0322290984749989
Energy: 0.923576855415347
Energy: 1.0707322235985108
Energy: 0.9350799768927547
Energy: 1.0136325981695429
Energy: 0.9350799768927547
Energy: 1.0756477373175217
Energy: 0.9328391106589631
Energy: 1.0121614369535428
Energy: 0.9328391106589631
Energy: 1.0756071976936548
Energy: 0.9333379312979422
Energy: 1.011271431493879
Energy: 0.9333379312964158
Energy: 1.0010496584625088
Energy: 0.9613530975566055
Energy: 1.0423748038155467
Energy: 0.9613530975566055
Energy: 1.0036747697460138
Energy: 0.9595896262818612
Energy: 1.0556300075171285
Energy: 0.9595896262833876
Energy: 1.0007453571132923
Energy: 0.9632028934595008
Energy: 1.062159628653779
Energy: 0.963202893461027
Energy: 1.0009717860684815
Energy: 0.9966686292034675
Energy: 0.9984132395929342
Energy: 0.9966686292034675
Energy: 1.2207878337008071
Energy: 0.9926661270771349
Energy: 0.9992290939535842
Energy: 0.9926661270771349
Energy: 1.000955751456491
Energy: 0.9948419472151597
Energy: 0.9985146811893072
Energy: 0.9948419472136336
Energy: 1.0008009372496858
Energy: 0.9948231450866586
Energy: 0.9968842821694452
Energy: 0.9948231450866586
Energy: 1.1996731720854656
Energy: 0.9944915929524258
Energy: 0.9945400632075794
Energy: 0.9944915929508994
Energy: 0.9986926286115191
Energy: 0.9970025758759756
Energy: 0.9989355645596724
Energy: 0.9970025758759756
Energy: 1.0021675035758413
Energy: 0.9921285342431232
Energy: 0.9986300185772028
Energy: 0.9921285342431232

minimum gb energy = 0.9230101528293175 eV
minimum distance =  2.3169801072364 Angstroms
sigma value = 41


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

Energy: 1.2082258716367922
Energy: 0.9326917765063749
Energy: 1.1045848605630268
Energy: 1.1022747719092076
Energy: 0.9268316078648784
Energy: 0.9000089764308661
Energy: 0.9352733183394933
Energy: 0.9000089764308661
Energy: 0.931807958969168
Energy: 0.9261334696164597
Energy: 0.9446415194171114
Energy: 0.9261334696152083
Energy: 0.9330834562786493
Energy: 0.923734580944435
Energy: 1.0519645274800808
Energy: 0.9237345809431836
Energy: 0.935733501655515
Energy: 0.9120241659886736
Energy: 0.9373971595692935
Energy: 0.9120241659899249
Energy: 1.054001400687285
Energy: 0.8977318450166235
Energy: 0.9354518942285813
Energy: 0.8977318450178748
Energy: 1.0538745005294794
Energy: 0.8958437661426683
Energy: 0.9368141895296709
Energy: 0.895843766141417
Energy: 0.970700181822678
Energy: 0.9619976447953463
Energy: 1.0108786172917716
Energy: 0.9619976447965977
Energy: 0.9463092115426455
Energy: 0.8680402392395281
Energy: 0.958190636712796
Energy: 0.8680402392407793
Energy: 0.9479301034457339
Energy: 0.8684277798329193
Energy: 0.9584828980992651
Energy: 0.8684277798329193
Energy: 0.9500011486825217
Energy: 0.852044973800253
Energy: 0.997610813455649
Energy: 0.852044973800253
Energy: 0.9476735961203251
Energy: 0.8514269861610839
Energy: 0.9580671018118527
Energy: 0.8514269861598327
Energy: 0.963074053470594
Energy: 0.8514198089483054
Energy: 0.9594874740849116
Energy: 0.851419808947054
Energy: 0.9886742645463771
Energy: 0.8452898405067236
Energy: 0.9314935315021926
Energy: 0.8452898405067236
Energy: 0.929795876101362
Energy: 0.8443351198628033
Energy: 0.9289402395947076
Energy: 0.8443351198628033
Energy: 0.9300615310553633
Energy: 0.8456062231788993
Energy: 0.9779631765707455
Energy: 0.8456062231788993
Energy: 0.9459005006725748
Energy: 0.8509697791733738
Energy: 0.988611003674102
Energy: 0.8509697791733738
Energy: 0.9387948478000875
Energy: 0.8509900928520358
Energy: 0.9467280151062337
Energy: 0.8509900928520358
Energy: 0.9719404965283744
Energy: 0.8505219197073548
Energy: 0.9467879374556689
Energy: 0.8505219197073548
Energy: 0.993525128461308
Energy: 0.8684967981315027
Energy: 0.9467761627903535
Energy: 0.8684967981327542
Energy: 1.008583135816679
Energy: 0.8694814802684325
Energy: 0.9477021103938057
Energy: 0.8694814802684325
Energy: 1.008196051737235
Energy: 0.8691718741608448
Energy: 0.9708423526907409
Energy: 0.8691718741608448
Energy: 0.9368408654050158
Energy: 0.8966590198176961
Energy: 0.9461653390094082
Energy: 0.8966590198176961
Energy: 0.9359013377246727
Energy: 0.8962125545286124
Energy: 1.0066469281026715
Energy: 0.8962125545286124
Energy: 0.9352984959387983
Energy: 0.8988736350336901
Energy: 1.0056625598268158
Energy: 0.8988736350336901
Energy: 0.9701348434810101
Energy: 0.9256013068090199
Energy: 0.9336274865023427
Energy: 0.9256013068090199
Energy: 0.9340083966736275
Energy: 0.9239651823454347
Energy: 0.9319102905993645
Energy: 0.9239651823454347
Energy: 0.9357899055237239
Energy: 0.9578146726175992
Energy: 0.9317766352552586
Energy: 0.9578146726175992
Energy: 0.9349815320733442
Energy: 0.924007786498802
Energy: 0.9331615382262876
Energy: 0.924007786498802
Energy: 0.9318872695769147
Energy: 0.92499467752105
Energy: 0.935594029568242
Energy: 0.92499467752105
Energy: 0.9315894252116248
Energy: 0.9309185449385292
Energy: 0.9318046222562013
Energy: 0.9309185449385292
Energy: 0.9384080824919804
Energy: 0.9241972636723966
Energy: 0.9355354984741223
Energy: 0.9241972636711453

minimum gb energy = 0.8443351198628033 eV
minimum distance =  2.3206031015124 Angstroms
sigma value = 15


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

Energy: 1.0753535681831548
Energy: 0.874883591593549
Energy: 1.0197827082710473
Energy: 1.0185587531433438
Energy: 0.8702560910848953
Energy: 0.8443601113689431
Energy: 0.8771355840876633
Energy: 0.8443601113689431
Energy: 0.8738506378760634
Energy: 0.8685451898897854
Energy: 0.8826480103223036
Energy: 0.8685451898887253
Energy: 0.8753006691909272
Energy: 0.8675126450657815
Energy: 0.8689935706414899
Energy: 0.8675126450679015
Energy: 0.8779975881349076
Energy: 0.8490648784548911
Energy: 0.8773269498350296
Energy: 0.8490648784548911
Energy: 0.8906714439776492
Energy: 0.8433507522273946
Energy: 0.8844780309633458
Energy: 0.8433507522263346
Energy: 0.9025440977074859
Energy: 0.8434124520032421
Energy: 0.8781468014951842
Energy: 0.8434124520032421
Energy: 0.8876858548710012
Energy: 0.9088310709145844
Energy: 0.8892121657930828
Energy: 0.9088310709145844
Energy: 0.8885878729598076
Energy: 0.816778178138115
Energy: 0.9040412940987188
Energy: 0.8167781781359948
Energy: 0.887273299554754
Energy: 0.8161335851276863
Energy: 0.9158140816453042
Energy: 0.8161335851287463
Energy: 0.8982850068507531
Energy: 0.7973485807632101
Energy: 0.9088978349121338
Energy: 0.7973485807632101
Energy: 0.8871396636181011
Energy: 0.7973957793962623
Energy: 0.8962045127277231
Energy: 0.7973957793962623
Energy: 0.9241620407876873
Energy: 0.797927244663673
Energy: 0.8962298835327945
Energy: 0.7979272446615531
Energy: 0.9259038390570131
Energy: 0.7856491297198412
Energy: 0.8888024193904843
Energy: 0.7856491297187813
Energy: 0.9130873441449298
Energy: 0.7869705597248132
Energy: 0.8842217911890343
Energy: 0.7869705597248132
Energy: 0.8901856793373715
Energy: 0.7867663172430296
Energy: 0.9240694742776834
Energy: 0.7867663172440895
Energy: 0.8802405582829378
Energy: 0.7833418788496005
Energy: 0.9267637692013014
Energy: 0.7833418788517205
Energy: 0.8747543605866076
Energy: 0.7821716416867072
Energy: 0.8748213765180995
Energy: 0.7821716416877672
Energy: 0.9269258860101077
Energy: 0.7830321667442104
Energy: 0.8818901310994701
Energy: 0.7830321667442104
Energy: 0.9242870731057673
Energy: 0.7871795844839244
Energy: 0.8968836080046735
Energy: 0.7871795844849364
Energy: 0.8827334432300129
Energy: 0.7871361661152997
Energy: 0.9144683065245088
Energy: 0.7871361661163597
Energy: 0.8909416487924553
Energy: 0.7857704447865889
Energy: 0.9252452100165086
Energy: 0.7857704447855288
Energy: 0.8952637341478347
Energy: 0.7983059995539893
Energy: 0.924339536675527
Energy: 0.7983059995529294
Energy: 0.8970114937683549
Energy: 0.7971553994085724
Energy: 0.8970214890259478
Energy: 0.7971553994085724
Energy: 0.9089375623122908
Energy: 0.7974382698186502
Energy: 0.8879760262894584
Energy: 0.7974382698186502
Energy: 0.9087011479178506
Energy: 0.8156991145502468
Energy: 0.8870693448058409
Energy: 0.8156991145513068
Energy: 0.8950878343870736
Energy: 0.8165856380415702
Energy: 0.8878236940368031
Energy: 0.8165856380415702
Energy: 0.9619567012443488
Energy: 0.8172485582340822
Energy: 0.8895609413252683
Energy: 0.8172485582340822
Energy: 0.8778867834071293
Energy: 0.84327458661495
Energy: 0.8756838811345474
Energy: 0.8432745866170702
Energy: 0.8837531462486123
Energy: 0.8432725702598596
Energy: 0.8887018481590775
Energy: 0.8432725702609197
Energy: 0.8775497636713981
Energy: 0.8833308889735773
Energy: 0.8881971940119258
Energy: 0.8833308889735773
Energy: 0.8863535462384333
Energy: 0.8675697104317005
Energy: 0.874792977012013
Energy: 0.8675697104327604
Energy: 0.8754511269670459
Energy: 0.8679835335752215
Energy: 0.8739955469338898
Energy: 0.8679835335762816
Energy: 0.8773117201894737
Energy: 0.844416727326148
Energy: 0.874046500517004
Energy: 0.8444167273272081
Energy: 1.018757695303778
Energy: 1.015650445425771
Energy: 0.8747557145023244
Energy: 1.0156504454247108
Energy: 0.8736023431655505
Energy: 0.8697987116961714
Energy: 0.8760455816607188
Energy: 0.8697987116940514
Energy: 0.8806478324020425
Energy: 0.8690065037043306
Energy: 0.8740141230545049
Energy: 0.8690065037032706

minimum gb energy = 0.7821716416867072 eV
minimum distance =  2.32711086707401 Angstroms
sigma value = 85


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

Energy: 0.8793526328908267
Energy: 0.7511546808264379
Energy: 0.8915854177470977
Energy: 0.8857048866264319
Energy: 0.7584474103068874
Energy: 0.7451216652401019
Energy: 0.7788413999524008
Energy: 0.7451216652410213
Energy: 0.7685891642283039
Energy: 0.7630688124093833
Energy: 0.7697737587839175
Energy: 0.7630688124103028
Energy: 0.7695141997589882
Energy: 0.7605987442067619
Energy: 0.7935932136767918
Energy: 0.7605987442067619
Energy: 0.8100729819700595
Energy: 0.7872431736043459
Energy: 0.7789292851890043
Energy: 0.7872431736043459
Energy: 0.815695576213647
Energy: 0.7457366039125974
Energy: 0.7787917985194459
Energy: 0.7457366039125974
Energy: 0.7663720665002176
Energy: 0.7443289135622809
Energy: 0.7793656489986558
Energy: 0.7443289135632002
Energy: 0.8097814279112119
Energy: 0.80924343589546
Energy: 0.8085377335338206
Energy: 0.80924343589546
Energy: 0.7951616251223391
Energy: 0.7283297463847723
Energy: 0.7797675695196702
Energy: 0.7283297463847723
Energy: 0.7949891828119936
Energy: 0.7284232174749641
Energy: 0.8071515689135389
Energy: 0.7284232174740447
Energy: 0.8022178777998238
Energy: 0.7193533522466906
Energy: 0.832058272716427
Energy: 0.7193533522466906
Energy: 0.8062040850951389
Energy: 0.7180086987042446
Energy: 0.8112622085894804
Energy: 0.7180086987042446
Energy: 0.8371583903401312
Energy: 0.7186425997725007
Energy: 0.811914075818009
Energy: 0.7186425997734203
Energy: 0.838678231819627
Energy: 0.7159273925678925
Energy: 0.8118358775013812
Energy: 0.7159273925669731
Energy: 0.8284436308202683
Energy: 0.7136696322283936
Energy: 0.8081672358901687
Energy: 0.7136696322283936
Energy: 0.8143806069886376
Energy: 0.7147041518954181
Energy: 0.8444282118654414
Energy: 0.7147041518954181
Energy: 0.8122391053299263
Energy: 0.7135209599006941
Energy: 0.8448961632098297
Energy: 0.7135209599006941
Energy: 0.8126041085965036
Energy: 0.7129936562409153
Energy: 0.8436435837719689
Energy: 0.7129936562409153
Energy: 0.8500943827862965
Energy: 0.7134975887437938
Energy: 0.8125494461584023
Energy: 0.7134975887447134
Energy: 0.8502582468202137
Energy: 0.7125407222006868
Energy: 0.8121667688946919
Energy: 0.7125407222006868
Energy: 0.8125782862403943
Energy: 0.7126258138869663
Energy: 0.8121728009444276
Energy: 0.7126258138860471
Energy: 0.812222076603658
Energy: 0.7135673103361692
Energy: 0.8511137066769542
Energy: 0.7135673103361692
Energy: 0.8300144844753837
Energy: 0.7125846282934376
Energy: 0.850104116153091
Energy: 0.7125846282934376
Energy: 0.8436220850192983
Energy: 0.7120947724433765
Energy: 0.8122301164896587
Energy: 0.7120947724433765
Energy: 0.845770681661505
Energy: 0.714438759464301
Energy: 0.8120459897495798
Energy: 0.714438759464301
Energy: 0.844525051402649
Energy: 0.7140490257625718
Energy: 0.828776266190195
Energy: 0.7140490257625718
Energy: 0.8116695023841975
Energy: 0.7138227491581359
Energy: 0.8287752497151852
Energy: 0.7138227491581359
Energy: 0.8116117329123982
Energy: 0.7149142370678577
Energy: 0.8370952268736438
Energy: 0.7149142370669382
Energy: 0.8118301517201428
Energy: 0.7183822992351155
Energy: 0.7953241251416372
Energy: 0.7183822992360349
Energy: 0.8129259729165348
Energy: 0.718878820691587
Energy: 0.7961077654284385
Energy: 0.7188788206925066
Energy: 0.8320157391535347
Energy: 0.762878037593224
Energy: 0.8019756285298666
Energy: 0.762878037593224
Energy: 0.7905579168015285
Energy: 0.7274936267997101
Energy: 0.795141779593868
Energy: 0.7274936267987906
Energy: 0.7791261065517052
Energy: 0.7286282627538551
Energy: 0.7949656071198482
Energy: 0.7286282627538551
Energy: 0.7791227315643469
Energy: 0.756471361505538
Energy: 0.8097239430265456
Energy: 0.7564713615064574
Energy: 0.779707133813272
Energy: 0.7441751624206153
Energy: 0.797623143646831
Energy: 0.7441751624215347
Energy: 0.7788157462961289
Energy: 0.7456020663656474
Energy: 0.8095596762676343
Energy: 0.7456020663665667
Energy: 0.7835342204546224
Energy: 0.7463927961910045
Energy: 0.8095576170248564
Energy: 0.7463927961910045
Energy: 0.7513493262989656
Energy: 0.7615613331685903
Energy: 0.7708416467057813
Energy: 0.7615613331685903
Energy: 0.7789857962813805
Energy: 0.7615403777559485
Energy: 0.7687355821193479
Energy: 0.7615403777559485
Energy: 0.7788242873191683
Energy: 0.7467561242258041
Energy: 0.7768229764859764
Energy: 0.7467561242258041
Energy: 0.7687731407647711
Energy: 0.7608865620036279
Energy: 0.7682723742281913
Energy: 0.7608865620036279
Energy: 0.7686703303365049
Energy: 0.7464499454983383
Energy: 0.7686083180363747
Energy: 0.7464499454983383
Energy: 0.766931995519252
Energy: 0.762320638128754
Energy: 0.7686312468329181
Energy: 0.7623206381278347

minimum gb energy = 0.7120947724433765 eV
minimum distance =  2.31396588086588 Angstroms
sigma value = 113


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

Energy: 0.014918055665467021
Energy: 0.015129230137087795
Energy: 0.9473225489242912
Energy: 0.10911955009271218
Energy: 0.015496062688021691
Energy: 0.10903801650886652
Energy: 0.0948104249391712
Energy: 0.10903801650886652
Energy: 0.09444464312253209
Energy: 0.10933136297310841
Energy: 0.015548238173371053
Energy: 0.10933136297310841
Energy: 0.0941985743682018
Energy: 0.10998831830340289
Energy: 0.016934527986065057
Energy: 0.10998831830340289
Energy: 0.09603595223317353
Energy: 0.10898384628094329
Energy: 0.09520309829027457
Energy: 0.10898384628094329
Energy: 0.015571994619320066
Energy: 0.1093881403162106
Energy: 0.09438015374340246
Energy: 0.1093881403162106

minimum gb energy = 0.014918055665467021 eV
minimum distance =  2.45280376967014 Angstroms
sigma value = 1