Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016140954034798802
Energy: 0.016671458149543072
Energy: 0.016821209533082616
Energy: 0.016671458149543072
Energy: 0.016671458149543072
Energy: 1.775874266087749
Energy: 0.016671458149543072
Energy: 1.7758742660883775
Energy: 0.016821209536784305
Energy: 0.016671458149543072
Energy: 0.016140954034798802
Energy: 0.016671458150171656
Energy: 0.016671458149543072
Energy: 1.775874266087749
Energy: 0.016671458150171656
Energy: 1.7758742660883775

minimum gb energy = 0.016140954034798802 eV
minimum distance =  2.44768267126173 Angstroms
sigma value = 1


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

Energy: 1.7776472168531448
Energy: 1.8806612226663348
Energy: 1.6414302370920555
Energy: 1.8806612226663348
Energy: 1.7113000943932346
Energy: 1.8695945341836349
Energy: 1.708220499313654
Energy: 1.8695945341866844
Energy: 1.5969593226382095
Energy: 1.8621766136820033
Energy: 1.7044659543378031
Energy: 1.8621766136820033
Energy: 1.6891483483339236
Energy: 1.8941097336342867
Energy: 1.698723857162101
Energy: 1.8941097336319996
Energy: 1.6932517357314807
Energy: 1.8812755967489032
Energy: 1.6834184824657084
Energy: 1.8812755967473784
Energy: 1.6250211505608267
Energy: 1.8193998518619543
Energy: 1.6708507816839226
Energy: 1.8193998518634789
Energy: 1.7115567339129518
Energy: 1.8621847334624608
Energy: 1.6272778780951553
Energy: 1.862184733463223
Energy: 1.519688388961344
Energy: 1.8811105584922236
Energy: 1.6644702109817517
Energy: 1.8811105584922236
Energy: 1.698298799921856
Energy: 1.625744730380831
Energy: 1.7009613534125607
Energy: 1.625744730380831
Energy: 1.677851575663727
Energy: 1.8617979270906322
Energy: 1.508689167129455
Energy: 1.8617979270906322
Energy: 1.701041607291907
Energy: 1.8220271980593241
Energy: 1.6985987398181919
Energy: 1.8220271980600866
Energy: 1.6777434876348243
Energy: 1.8809972764852785
Energy: 1.694556974942495
Energy: 1.8809972764845162
Energy: 1.7064555317995582
Energy: 1.861932012670937
Energy: 1.71536189774576
Energy: 1.861932012670937
Energy: 1.7069974274396051
Energy: 1.8708011355150265
Energy: 1.6925485780099143
Energy: 1.8708011355150265
Energy: 1.6974932818413262
Energy: 1.8810592086857298
Energy: 1.703319030652637
Energy: 1.8810592086872542
Energy: 1.6807251928228875
Energy: 1.8803959001634905
Energy: 1.7035130369668428
Energy: 1.8803959001650152
Energy: 1.7044044650523862
Energy: 1.8621312934773901
Energy: 1.6060120148014065
Energy: 1.8621312934773901
Energy: 1.7085142482772573
Energy: 1.8623986247371411
Energy: 1.7091073623656983
Energy: 1.8623986247356166
Energy: 1.5876170403193508
Energy: 1.880533102685703
Energy: 1.7189996508924263
Energy: 1.880533102685703
Energy: 1.7082631324023845
Energy: 1.7101156240070485
Energy: 1.701350218578632
Energy: 1.7101156240078108
Energy: 1.6740473084340681
Energy: 1.8620529288162126
Energy: 1.5568188531539662
Energy: 1.8620529288162126
Energy: 1.6989051180502117
Energy: 1.836103741150712
Energy: 1.6891080494419195
Energy: 1.8361037411514742
Energy: 1.692893492132699
Energy: 1.8812045015392385
Energy: 1.606646128622385
Energy: 1.8812045015400007
Energy: 1.6716265333248472
Energy: 1.8628454198189632
Energy: 1.6251210962439266
Energy: 1.8628454198182007
Energy: 1.626773776739686
Energy: 1.8168043553128743
Energy: 1.7106859203329765
Energy: 1.8168043553113493
Energy: 1.689466042142062
Energy: 1.8812080316596849
Energy: 1.5199156126697733
Energy: 1.8812080316612096
Energy: 1.6961521809584623
Energy: 1.8693862759106177
Energy: 1.6980976379873536
Energy: 1.8693862759106177
Energy: 1.5061369406666216
Energy: 1.8618895565722022
Energy: 1.7040440635979812
Energy: 1.8618895565729647
Energy: 1.7072942242206584
Energy: 1.873574116889468
Energy: 1.7008320741620635
Energy: 1.873574116890993
Energy: 1.7288245381563518
Energy: 1.8805522981374538
Energy: 1.6785145094078098
Energy: 1.8805522981351668
Energy: 1.697857009036385
Energy: 1.8693169893881454
Energy: 1.7058945085201576
Energy: 1.8693169893866206
Energy: 1.673711539419581
Energy: 1.8625331754372372
Energy: 1.7057945374432126
Energy: 1.8625331754395242
Energy: 1.6928735399333172
Energy: 1.8935497489711912
Energy: 1.7025245903705444
Energy: 1.8935497489727156

minimum gb energy = 1.5061369406666216 eV
minimum distance =  2.26243302609131 Angstroms
sigma value = 1


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

Energy: 1.9085936198753384
Energy: 2.023197510848511
Energy: 1.7625055518921062
Energy: 2.023197510851988
Energy: 1.8091187503436972
Energy: 1.954292132123783
Energy: 1.8137719692263332
Energy: 1.9542921321229139
Energy: 1.607125044803385
Energy: 2.0231339450812946
Energy: 1.8204518359668889
Energy: 2.0231339450812946
Energy: 1.799644356461703
Energy: 1.9309728938738364
Energy: 1.7359257022344268
Energy: 1.9309728938781823
Energy: 1.8001060096977015
Energy: 1.9967008363835446
Energy: 1.7996840499352311
Energy: 1.9967008363783292
Energy: 1.8271330645865917
Energy: 1.996766061977354
Energy: 1.8002018914829439
Energy: 1.9967660619782235
Energy: 1.8002784965719845
Energy: 1.929825569646282
Energy: 1.775504253487665
Energy: 1.9298255696480204
Energy: 1.6070495299321723
Energy: 2.0231923006070773
Energy: 1.7537347468970486
Energy: 2.0231923006131223
Energy: 1.8014867855003833
Energy: 1.844979770736303
Energy: 1.8136314757768517
Energy: 1.8449797707380413
Energy: 1.8415277631714821
Energy: 2.023557545142771
Energy: 1.716825364794796
Energy: 2.023557545148856
Energy: 1.8004769299218064
Energy: 1.994374761936781
Energy: 1.820770042396728
Energy: 1.9943747619385195
Energy: 1.7048481456223992
Energy: 2.010221163354504
Energy: 1.8209040958268472
Energy: 2.0102211633527656
Energy: 1.8363847851567252
Energy: 1.9960535196346372
Energy: 1.8011766449300517
Energy: 1.996053519632069
Energy: 1.8364103930101991
Energy: 1.996014847845721
Energy: 1.770867900100839
Energy: 1.9960148478413753
Energy: 1.7046662141361086
Energy: 2.010150857943666
Energy: 1.8199159014819388
Energy: 2.010150857948012
Energy: 1.800409249158858
Energy: 1.994720644066471
Energy: 1.8142467235371422
Energy: 1.9947206440638636
Energy: 1.8414228860402966
Energy: 2.0234843093659505
Energy: 1.7003886693181616
Energy: 2.0234843093616046
Energy: 1.8012713576191761
Energy: 1.8449885046625654
Energy: 1.8138998286716947
Energy: 1.8449885046677803
Energy: 1.6070610382019799
Energy: 2.0230619348860017
Energy: 1.7088242672729765
Energy: 2.0230619348833936
Energy: 1.8005452259004024
Energy: 1.9300917739424137
Energy: 1.7356361455907428
Energy: 1.9300917739450212
Energy: 1.8271529151478556
Energy: 1.9967572880785125
Energy: 1.759775135452305
Energy: 1.9967572880724278
Energy: 1.8001113169470944
Energy: 1.9964991634543374
Energy: 1.7733797139743792
Energy: 1.9964991634534681
Energy: 1.7996390769415525
Energy: 1.931133251244412
Energy: 1.7243868468376162
Energy: 1.9311332512435428
Energy: 1.607205607618096
Energy: 2.023085661153025
Energy: 1.8132754829224103
Energy: 2.0230856611495476
Energy: 1.8092063990123293
Energy: 1.9542158775222391
Energy: 1.8137930776014382
Energy: 1.9542158775291927
Energy: 1.908593619877077
Energy: 2.023197510848511
Energy: 1.8020828573307917
Energy: 2.0231975108528575
Energy: 1.809118750342828
Energy: 1.954292132123783
Energy: 1.8137719692263332
Energy: 1.9542921321229139
Energy: 1.607125044803385
Energy: 2.0231339450812946
Energy: 1.820451835967758
Energy: 2.0231339450812946
Energy: 1.799644356460834
Energy: 1.9309728938738364
Energy: 1.7359257022352959
Energy: 1.9309728938781823

minimum gb energy = 1.6070495299321723 eV
minimum distance =  2.24630502666227 Angstroms
sigma value = 25


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

Energy: 2.0373109316643725
Energy: 2.1549493528708252
Energy: 1.8505213275676824
Energy: 2.1549493528688046
Energy: 1.8513873479645633
Energy: 2.0818822374146153
Energy: 1.947375848921968
Energy: 2.0818822374146153
Energy: 1.7222235871383287
Energy: 2.197510704855075
Energy: 1.9473697055768753
Energy: 2.1975107048540647
Energy: 1.9342294990993143
Energy: 2.1113039983776387
Energy: 1.8533406712177645
Energy: 2.1113039983796593
Energy: 1.8523628592222778
Energy: 2.1548424622430185
Energy: 1.8977347646284228
Energy: 2.1548424622430185
Energy: 1.9882581889003168
Energy: 2.1968171807451613
Energy: 1.948260091383314
Energy: 2.1968171807461716
Energy: 1.9509620315605882
Energy: 1.9592756412497392
Energy: 1.8951394921123106
Energy: 1.9592756412507495
Energy: 1.975757170295263
Energy: 2.1552003478581216
Energy: 1.7495572047172865
Energy: 2.1552003478581216
Energy: 1.8927166833169253
Energy: 2.077150024618321
Energy: 1.951206679364362
Energy: 2.0771500246203423
Energy: 1.9469007151304358
Energy: 2.197352495978877
Energy: 1.8362894709668816
Energy: 2.197352495978877
Energy: 1.9412418169768815
Energy: 2.1545610274124662
Energy: 1.9466221937780928
Energy: 2.154561027411456
Energy: 1.8536940268052646
Energy: 2.1549714680916514
Energy: 1.9465466549932524
Energy: 2.1549714680926617
Energy: 1.947569712784655
Energy: 2.107232705527283
Energy: 1.8372401852111118
Energy: 2.107232705527283
Energy: 1.8945775657765793
Energy: 1.952332877709792
Energy: 1.9506181510043155
Energy: 1.9523328777077709
Energy: 1.781507709023751
Energy: 2.155490176602833
Energy: 1.7465712861822509
Energy: 2.1554901766038435
Energy: 1.9475091105662163
Energy: 1.9591063641891426
Energy: 1.8522363712008056
Energy: 1.9591063641891426
Energy: 1.7218442432566203
Energy: 2.1975016631430706
Energy: 1.7216797430206123
Energy: 2.1975016631410957
Energy: 1.8534802831431456
Energy: 2.155707035744446
Energy: 1.9338012893376189
Energy: 2.1557070357464676
Energy: 1.8976770230045552
Energy: 2.10970106415719
Energy: 1.85202405440352
Energy: 2.109701064158201
Energy: 1.850461212086025
Energy: 2.196661866195902
Energy: 1.950788981816746
Energy: 2.1966618661979225
Energy: 1.9644392770953445
Energy: 2.0843327305552655
Energy: 1.9503834926423818
Energy: 2.0843327305562753
Energy: 1.9810437004765715
Energy: 2.1550850174771417
Energy: 1.954618790824845
Energy: 2.1550850174761313
Energy: 1.9510346245973116
Energy: 2.085591398939488
Energy: 1.9471852376861383
Energy: 2.085591398939488
Energy: 1.7226458506547606
Energy: 2.1973365827759466
Energy: 1.9468973360579975
Energy: 2.1973365827759466
Energy: 1.9470856954623204
Energy: 2.108749217180802
Energy: 1.8538580231749069
Energy: 2.1087492171787816

minimum gb energy = 1.7216797430206123 eV
minimum distance =  2.24712348611427 Angstroms
sigma value = 9


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

Energy: 2.213877897930983
Energy: 2.177134668179939
Energy: 2.005625790495714
Energy: 2.177134668177555
Energy: 2.023938240849398
Energy: 2.261876081678214
Energy: 2.0941083896707218
Energy: 2.2618760816770083
Energy: 1.8484893949253807
Energy: 2.177290359145983
Energy: 1.9984071792983134
Energy: 2.177290359143572
Energy: 2.1131582812535696
Energy: 2.3332843298415393
Energy: 1.8978595186950076
Energy: 2.333284329837923
Energy: 2.171797864807587
Energy: 2.2623591299391173
Energy: 2.064539575246189
Energy: 2.2623591299367067
Energy: 1.847256335568573
Energy: 2.131236224514997
Energy: 1.8838828536744947
Energy: 2.131236224514997
Energy: 2.115834789631707
Energy: 1.8982970645379198
Energy: 1.9014151995625057
Energy: 1.898297064535509
Energy: 2.0058978971381283
Energy: 2.1295992193173237
Energy: 1.8853881212954775
Energy: 2.129599219319734
Energy: 2.117462590425907
Energy: 2.2624225004970073
Energy: 1.9980146959774974
Energy: 2.2624225004970073
Energy: 2.1119245592015896
Energy: 2.1159635905073015
Energy: 1.8981715251795759
Energy: 2.1159635905060963
Energy: 1.9807089955228145
Energy: 2.3029700247298477
Energy: 1.9982208519642384
Energy: 2.3029700247298477
Energy: 2.1121157790001255
Energy: 2.162950481546935
Energy: 1.8978226288344289
Energy: 2.162950481543319
Energy: 1.8481348163732354
Energy: 2.178349798773244
Energy: 1.917719302883306
Energy: 2.1783497987756544
Energy: 1.9720309170702275
Energy: 2.130011377767166
Energy: 2.0943104026398647
Energy: 2.130011377767166
Energy: 1.8481601650862922
Energy: 2.178509139286772
Energy: 2.0056999390276227
Energy: 2.178509139285566
Energy: 2.1121359846539467
Energy: 2.1625914985557877
Energy: 1.897832350876994
Energy: 2.162591498560609
Energy: 1.9806573834369616
Energy: 2.302920561333877
Energy: 2.093030205092459
Energy: 2.302920561333877
Energy: 2.1119071765353543
Energy: 2.1173820192920805
Energy: 1.8979788143970864
Energy: 2.1173820192908748
Energy: 2.117572733984192
Energy: 2.26242824353129
Energy: 2.0929904298362487
Energy: 2.262428243527674
Energy: 2.005898431664175
Energy: 2.1295864505806894
Energy: 1.8853821635211299
Energy: 2.129586450577073
Energy: 2.1155472111762377
Energy: 1.898280005857722
Energy: 1.9015938004600257
Energy: 1.8982800058565166

minimum gb energy = 1.847256335568573 eV
minimum distance =  2.32466222050406 Angstroms
sigma value = 25


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

Energy: 2.0228450478341675
Energy: 2.4868836198578963
Energy: 2.264942012414369
Energy: 2.4868836198593867
Energy: 2.0018822710350013
Energy: 2.290976004824769
Energy: 1.9832519273171174
Energy: 2.290976004824769
Energy: 1.9849888092928527
Energy: 2.020187653299105
Energy: 1.9830442746765784
Energy: 2.020187653299105
Energy: 2.018434426150224
Energy: 2.006511332437214
Energy: 2.172615792091108
Energy: 2.006511332437214
Energy: 2.1735761363105905
Energy: 2.000802001622453
Energy: 2.044419837387584
Energy: 2.0008020016239434
Energy: 1.984549562072933
Energy: 2.5233594900931897
Energy: 1.985015830277905
Energy: 2.5233594900931897
Energy: 2.04814601585098
Energy: 2.0066924278245106
Energy: 1.9831419176576213
Energy: 2.006692427834946
Energy: 2.171948062121278
Energy: 2.489625870048839
Energy: 2.01775903228822
Energy: 2.489625870048839
Energy: 1.9830435995225666
Energy: 2.2896838881866093
Energy: 2.00072345830059
Energy: 2.2896838881881005
Energy: 2.237522033371369
Energy: 2.041160104921127
Energy: 1.9840117163275859
Energy: 2.041160104918146
Energy: 2.034941891549122
Energy: 2.4916132477801147
Energy: 2.3529287974594664
Energy: 2.4916132477786235
Energy: 1.983318529716418
Energy: 2.0412790258791658
Energy: 2.237960412163414
Energy: 2.0412790258791658
Energy: 2.1872399307743082
Energy: 2.01903932041624
Energy: 1.984205279426568
Energy: 2.01903932041624
Energy: 1.9828985384191034
Energy: 2.0060727193289694
Energy: 2.018905717601282
Energy: 2.0060727193304597
Energy: 2.0449346612657653
Energy: 2.4911496871033743
Energy: 2.1747930118336405
Energy: 2.491149687106356
Energy: 2.0011747532635047
Energy: 2.101202140509329
Energy: 1.9847567987871828
Energy: 2.101202140509329
Energy: 1.9835015967093148
Energy: 2.1403836522961033
Energy: 2.238062489362114
Energy: 2.1403836522946125

minimum gb energy = 1.9828985384191034 eV
minimum distance =  2.31277402680974 Angstroms
sigma value = 17


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

Energy: 2.3051753946062568
Energy: 2.3008723034190384
Energy: 2.41704919307614
Energy: 2.300872303418194
Energy: 2.2332429448611717
Energy: 2.158851432929976
Energy: 2.039679814325653
Energy: 2.158851432930821
Energy: 2.2197799517728507
Energy: 2.173493019837878
Energy: 2.039411232735013
Energy: 2.173493019835346
Energy: 2.0439072102005875
Energy: 2.0583023391464494
Energy: 2.1636944436234873
Energy: 2.0583023391337862
Energy: 2.2678595619545425
Energy: 2.17049405549381
Energy: 2.0809976112769317
Energy: 2.1704940554921217
Energy: 2.059747205255121
Energy: 2.100059682036054
Energy: 2.205135540180379
Energy: 2.100059682033521
Energy: 2.040865741732653
Energy: 2.156726481229824
Energy: 2.0397306383669345
Energy: 2.156726481229824
Energy: 2.2074281982614794
Energy: 2.0576223641206863
Energy: 2.0523593904055377
Energy: 2.057622364121531
Energy: 2.0530693085916356
Energy: 2.237458921215619
Energy: 2.2720913718883486
Energy: 2.237458921214775
Energy: 2.384976409881218
Energy: 2.1238683545727866
Energy: 2.0398958418361253
Energy: 2.1238683545736308
Energy: 2.0487280593741257
Energy: 2.0566498987840127
Energy: 2.2257046957812427
Energy: 2.0566498987823247
Energy: 2.052970680583903
Energy: 2.156830725450085
Energy: 2.052648636169307
Energy: 2.1568307254492405
Energy: 2.2245772792313265
Energy: 2.0568535201654012
Energy: 2.0515215732613776
Energy: 2.0568535201662455
Energy: 2.0395614742019306
Energy: 2.251591309708733
Energy: 2.2333186896479216
Energy: 2.251591309707889
Energy: 2.185782638786931
Energy: 2.1564738706185427
Energy: 2.0534284950696167
Energy: 2.1564738706185427
Energy: 2.217220308475017
Energy: 2.056605153529926
Energy: 2.208004462450976
Energy: 2.05660515353077
Energy: 2.0397836479890445
Energy: 2.2130894957189318
Energy: 2.388381275928268
Energy: 2.213089495719776
Energy: 2.2513870184015254
Energy: 2.047105879737652
Energy: 2.059673866155262
Energy: 2.047105879737652
Energy: 2.081468960055513
Energy: 2.1600339648947156
Energy: 2.181786412590753
Energy: 2.160033964893027
Energy: 2.0395542820836248
Energy: 2.057966862583656
Energy: 2.044478719921132
Energy: 2.0579668625845002
Energy: 2.1246245491136913
Energy: 2.0442716787028417
Energy: 2.21956117237906
Energy: 2.0442716787028417
Energy: 2.040020719763172
Energy: 2.271351542630517
Energy: 2.3885736638036943
Energy: 2.271351542629673
Energy: 2.2910029350673824
Energy: 2.05715441467208
Energy: 2.0415391341699527
Energy: 2.05715441467208
Energy: 2.051605471022572
Energy: 2.15668288601098
Energy: 2.222006636660015
Energy: 2.1566828860101364
Energy: 2.051334472056609
Energy: 2.173515246615688
Energy: 2.220070338809089
Energy: 2.1735152466401715
Energy: 2.2512510150548772
Energy: 2.0596585516865757
Energy: 2.043445953643641
Energy: 2.0596585516857315
Energy: 2.080701596638441
Energy: 2.2716616757207446
Energy: 2.4340956904205426
Energy: 2.271661675717368
Energy: 2.2052604525660935
Energy: 2.1031597186574396
Energy: 2.2214974240575582
Energy: 2.103159718656595
Energy: 2.358179899304405
Energy: 2.260062193772691
Energy: 2.041263882656132
Energy: 2.260062193774379
Energy: 2.0522865414994675
Energy: 2.2348372485979837
Energy: 2.2519725520180245
Energy: 2.234837248598828

minimum gb energy = 2.039411232735013 eV
minimum distance =  2.30459185847659 Angstroms
sigma value = 53


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

Energy: 2.0022284047342604
Energy: 2.0000326955870333
Energy: 2.360316780338168
Energy: 2.000032695588977
Energy: 2.29584863665709
Energy: 2.1423615430032186
Energy: 2.0251086032070047
Energy: 2.1423615430051623
Energy: 2.0040728038591618
Energy: 1.9989783798400174
Energy: 2.302137687984048
Energy: 1.9989783798400174
Energy: 2.004025126873788
Energy: 1.9988446904470956
Energy: 2.1595737599609155
Energy: 1.9988446904470956
Energy: 2.295905099745913
Energy: 2.1421821225581197
Energy: 2.025986904077032
Energy: 2.142182122556176
Energy: 2.002228404736204
Energy: 2.0000326955870333
Energy: 2.511659850885603
Energy: 2.0000326955870333
Energy: 2.29584863665709
Energy: 2.1423615430032186
Energy: 2.159469627203094
Energy: 2.1423615430032186
Energy: 2.0040728038591618
Energy: 1.9989783798400174
Energy: 2.302146384144612
Energy: 1.9989783798419611
Energy: 2.004025126875731
Energy: 1.9988446904470956
Energy: 2.2621174762895846
Energy: 1.9988446904470956
Energy: 2.2959050997420256
Energy: 2.1421821225581197
Energy: 2.1585969230252435
Energy: 2.142182122556176
Energy: 2.0022284047342604
Energy: 2.0000326955870333
Energy: 2.511660692710645
Energy: 2.000032695588977
Energy: 2.295848636655147
Energy: 2.1423615430032186
Energy: 2.2623603041575686
Energy: 2.1423615430032186
Energy: 2.0040728038591618
Energy: 1.9989783798400174
Energy: 2.3018613336506695
Energy: 1.9989783798400174

minimum gb energy = 1.9988446904470956 eV
minimum distance =  2.29583717502259 Angstroms
sigma value = 9


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

Energy: 2.1577421326372206
Energy: 2.344089671912476
Energy: 2.6478658634736694
Energy: 2.3440896719153534
Energy: 2.3335551059262616
Energy: 2.205646606483668
Energy: 2.0999725837336882
Energy: 2.205646606487984
Energy: 2.0958920980013875
Energy: 2.137699105722138
Energy: 2.114975042165568
Energy: 2.137699105722138
Energy: 2.2630635129126193
Energy: 2.4106198452863468
Energy: 2.0998730540880612
Energy: 2.4106198452863468
Energy: 2.348355648392731
Energy: 2.2402753147224392
Energy: 2.1151326301741253
Energy: 2.240275314723159
Energy: 2.1397340255723254
Energy: 2.137470481607782
Energy: 2.254469532069815
Energy: 2.1374704816085015
Energy: 2.5870391189966733
Energy: 2.234448534288647
Energy: 2.1121725292765667
Energy: 2.2344485342872087
Energy: 2.105633565962957
Energy: 2.374262345729052
Energy: 2.2866076229401817
Energy: 2.3742623457254552
Energy: 2.099937760868541
Energy: 2.426962377809517
Energy: 2.1438383056562493
Energy: 2.4269623778087976
Energy: 2.0975824984021156
Energy: 2.216660144053386
Energy: 2.110217623884639
Energy: 2.2166601440526668
Energy: 2.108282723032421
Energy: 2.404103690079292
Energy: 2.5338423013628777
Energy: 2.404103690079292
Energy: 2.308269527141325
Energy: 2.3987856202652913
Energy: 2.1035829407150204
Energy: 2.3987856202602558
Energy: 2.099965200347129
Energy: 2.232700200899929
Energy: 2.4272785065149876
Energy: 2.23270020089849
Energy: 2.269603640654361
Energy: 2.2792989125450798
Energy: 2.162362457126271
Energy: 2.279298912546519
Energy: 2.1095542495854174
Energy: 2.29728008161421
Energy: 2.2842609249461803
Energy: 2.297280081614929
Energy: 2.103827136733831
Energy: 2.425686939082014
Energy: 2.2621112577812634
Energy: 2.425686939079137
Energy: 2.215518196160063
Energy: 2.2974538364569006
Energy: 2.1092374482545537
Energy: 2.2974538364576196
Energy: 2.1125045075594837
Energy: 2.235388234333609
Energy: 2.3460002293081113
Energy: 2.23538823433217
Energy: 2.359745763104805
Energy: 2.231951348432931
Energy: 2.1414647630560526
Energy: 2.231951348434369
Energy: 2.104496195106672
Energy: 2.232544696934559
Energy: 2.2356667921976903
Energy: 2.2325446969352787
Energy: 2.2596230706371667
Energy: 2.4040201863065134
Energy: 2.2656229053646477
Energy: 2.404020186309391
Energy: 2.240551174052982
Energy: 2.3139564629162215
Energy: 2.0973367375674288
Energy: 2.3139564629155016
Energy: 2.1431799759415977
Energy: 2.3192431527657837
Energy: 2.099713901218962
Energy: 2.3192431527672217
Energy: 2.594668857065887
Energy: 2.2765375201184437
Energy: 2.1051993210557276
Energy: 2.276537520115566
Energy: 2.113181993670284
Energy: 2.346957320567677
Energy: 2.466694301073671
Energy: 2.346957320567677
Energy: 2.1761539781643027
Energy: 2.1372498825643858
Energy: 2.097229603676549
Energy: 2.137249882562947
Energy: 2.19654779813996
Energy: 2.3873617814086034
Energy: 2.2619315329568725
Energy: 2.3873617814050068
Energy: 2.1144857648765294
Energy: 2.4106064592744394
Energy: 2.2627708503691393
Energy: 2.4106064592765972
Energy: 2.194282922801715
Energy: 2.1370649862846105
Energy: 2.0957155754051255
Energy: 2.1370649862867688
Energy: 2.0996807335076766
Energy: 2.3471594172926995
Energy: 2.4679204221237345
Energy: 2.3471594172905417
Energy: 2.535835444634785
Energy: 2.277074026450002
Energy: 2.1041863053748027
Energy: 2.2770740264478437
Energy: 2.099467376384171
Energy: 2.2273515981500442
Energy: 2.0969496228883338
Energy: 2.2273515981450087
Energy: 2.115195437388283
Energy: 2.3125566546599283
Energy: 2.096000768607376
Energy: 2.3125566546599283
Energy: 2.2595207229108474
Energy: 2.40810816508311
Energy: 2.262523063047157
Energy: 2.408108165083829
Energy: 2.1149435016381037
Energy: 2.359036650680199
Energy: 2.5867359521230338
Energy: 2.35903665067876

minimum gb energy = 2.0957155754051255 eV
minimum distance =  2.28654425925871 Angstroms
sigma value = 73


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

Energy: 2.1624288662935363
Energy: 2.1551797576854974
Energy: 2.5449528126790013
Energy: 2.1551797576866387
Energy: 2.155637077814767
Energy: 2.2938098434621366
Energy: 2.1035445277984817
Energy: 2.2938098434621366
Energy: 2.110076333993887
Energy: 2.497655279357876
Energy: 2.1114468078943696
Energy: 2.497655279359017
Energy: 2.0917602209837254
Energy: 2.2976404150929985
Energy: 2.1037861736510295
Energy: 2.2976404150929985
Energy: 2.0892153268796165
Energy: 2.294690673457779
Energy: 2.1113509844272964
Energy: 2.2946906734566386
Energy: 2.1101154058986413
Energy: 2.105470265675038
Energy: 2.470948636367024
Energy: 2.105470265675038
Energy: 2.5880532130065403
Energy: 2.466921547208065
Energy: 2.104931365622524
Energy: 2.4669215472092056
Energy: 2.091168136090517
Energy: 2.1545851432297294
Energy: 2.515315771075267
Energy: 2.1545851432308707
Energy: 2.488415898371008
Energy: 2.1072779581867294
Energy: 2.1088454195506996
Energy: 2.1072779581833054
Energy: 2.1079248250405964
Energy: 2.2590779523365554
Energy: 2.107140580561929
Energy: 2.2590779523365554
Energy: 2.0868870517123326
Energy: 2.1078022338852653
Energy: 2.4881242768931813
Energy: 2.1078022338864066
Energy: 2.352682454051128
Energy: 2.2920852778144227
Energy: 2.0911670260664623
Energy: 2.2920852778144227
Energy: 2.105363522607329
Energy: 2.2602499891096604
Energy: 2.4396225629026325
Energy: 2.2602499891108017
Energy: 2.5547909205476307
Energy: 2.2615829587689893
Energy: 2.110639510400814
Energy: 2.2615829587689893
Energy: 2.086813953642734
Energy: 2.1844705952336496
Energy: 2.350518236488768
Energy: 2.1844705952325083
Energy: 2.4883680602525184
Energy: 2.1544206491228683
Energy: 2.0915335688558407
Energy: 2.1544206491228683
Energy: 2.1045428106033772
Energy: 2.1060646928466875
Energy: 2.1102616444681477
Energy: 2.1060646928466875
Energy: 2.1032359038175943
Energy: 2.1074061458342235
Energy: 2.110034875944082
Energy: 2.107406145835365
Energy: 2.309250096273118
Energy: 2.154776667633558
Energy: 2.0882996815839583
Energy: 2.1547766676346995
Energy: 2.103405533255992
Energy: 2.1876793327035036
Energy: 2.5883492549734393
Energy: 2.1876793327046444
Energy: 2.5541565142326914
Energy: 2.114575287064486
Energy: 2.1136864624525016
Energy: 2.114575287064486
Energy: 2.1033231255604505
Energy: 2.276445841500706
Energy: 2.440374692369621
Energy: 2.276445841500706

minimum gb energy = 2.086813953642734 eV
minimum distance =  2.26047487982658 Angstroms
sigma value = 7


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

Energy: 2.309262508854543
Energy: 2.302050931963855
Energy: 2.497648729164099
Energy: 2.3020509319622406
Energy: 2.494418329584092
Energy: 2.2618543835540197
Energy: 2.146705368366058
Energy: 2.261854383557248
Energy: 2.1285691766308688
Energy: 2.1931958402403953
Energy: 2.1510204862862126
Energy: 2.1931958402420095
Energy: 2.1318965968058654
Energy: 2.3579091923817113
Energy: 2.1583201083713344
Energy: 2.3579091923784827
Energy: 2.136687946882455
Energy: 2.2688186659321103
Energy: 2.1497535754256285
Energy: 2.2688186659337237
Energy: 2.1462361676868915
Energy: 2.1488914813351827
Energy: 2.3546633177529173
Energy: 2.148891481333569
Energy: 2.355014842518646
Energy: 2.352911625844043
Energy: 2.1426011741787394
Energy: 2.3529116258456573
Energy: 2.145860411341509
Energy: 2.1900909774100854
Energy: 2.524556982692147
Energy: 2.190090977412506
Energy: 2.3460929050975428
Energy: 2.3431452889175133
Energy: 2.1699558955361304
Energy: 2.343145288916706
Energy: 2.127305597423329
Energy: 2.2912889332371664
Energy: 2.393962678930915
Energy: 2.2912889332387802
Energy: 2.139010008133505
Energy: 2.439237147317694
Energy: 2.1417589097191407
Energy: 2.439237147321729
Energy: 2.1570008195276356
Energy: 2.3444231152347688
Energy: 2.133331182093751
Energy: 2.344423115233962
Energy: 2.147415331509477
Energy: 2.236500280831955
Energy: 2.137822536377332
Energy: 2.2365002808367973
Energy: 2.1640260212304314
Energy: 2.1810795378006618
Energy: 2.137791362220497
Energy: 2.1810795378014687
Energy: 2.125380009249244
Energy: 2.4086579001581807
Energy: 2.423002413511395
Energy: 2.4086579001573734
Energy: 2.413105566664538
Energy: 2.2861095376229543
Energy: 2.1706110232144913
Energy: 2.286109537620533
Energy: 2.139520992888958
Energy: 2.2866971811537944
Energy: 2.260587850864343
Energy: 2.28669718115218
Energy: 2.1526019307242907
Energy: 2.197980763741982
Energy: 2.1329772469735
Energy: 2.1979807637411746
Energy: 2.139583887982998
Energy: 2.4408647462511013
Energy: 2.1375427641908162
Energy: 2.4408647462535225
Energy: 2.1369865569528415
Energy: 2.282651220812925
Energy: 2.2144362611647073
Energy: 2.2826512208096967
Energy: 2.138538993542987
Energy: 2.4403885309655724
Energy: 2.1703115737571768
Energy: 2.4403885309631512
Energy: 2.1274217013577736
Energy: 2.1887704752013963
Energy: 2.3239344254004077
Energy: 2.18877047520059
Energy: 2.5484938807664608
Energy: 2.3031139520395847
Energy: 2.141855624255638
Energy: 2.3031139520387773
Energy: 2.233275462316306
Energy: 2.234687638076133
Energy: 2.430062884064725
Energy: 2.2346876380785536
Energy: 2.2426325316353704
Energy: 2.2684174244867576
Energy: 2.1422777667663273
Energy: 2.268417424487564
Energy: 2.131967384420108
Energy: 2.4340385236814224
Energy: 2.1455681481545774
Energy: 2.4340385236838435
Energy: 2.1287453678616832
Energy: 2.3650705600890665
Energy: 2.2304608944294984
Energy: 2.3650705600858384
Energy: 2.20465753390946
Energy: 2.26746921570342
Energy: 2.1592599746197414
Energy: 2.2674692157009995
Energy: 2.1472545478728056
Energy: 2.195286414794142
Energy: 2.322657990763388
Energy: 2.19528641479737
Energy: 2.664055160766268
Energy: 2.167747265250328
Energy: 2.1464698759367704
Energy: 2.167747265251942
Energy: 2.147226568167012
Energy: 2.1956366550478643
Energy: 2.2520497977027243
Energy: 2.195636655043022

minimum gb energy = 2.125380009249244 eV
minimum distance =  2.24621075568857 Angstroms
sigma value = 29


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

Energy: 2.1191488539437464
Energy: 2.0827275285194293
Energy: 2.064586133879045
Energy: 2.0827275285180553
Energy: 2.063853733766461
Energy: 2.112694533030794
Energy: 2.1141457377642348
Energy: 2.112694533031606
Energy: 2.0655971005568023
Energy: 2.246551584407336
Energy: 2.0625988146828385
Energy: 2.246551584407867
Energy: 2.11511174303422
Energy: 2.061959030603524
Energy: 2.113732525998352
Energy: 2.061959030602181
Energy: 2.1195340737407706
Energy: 2.198991942401527
Energy: 2.0614017262911726
Energy: 2.1989919424012774
Energy: 2.064045534776016
Energy: 2.251301264049108
Energy: 2.064046778498959
Energy: 2.2513012640496384
Energy: 2.0637942318462525
Energy: 2.1989785723569026
Energy: 2.119561122784121
Energy: 2.1989785723566526
Energy: 2.113996098928059
Energy: 2.062141403023089
Energy: 2.1148847463715104
Energy: 2.0621414030236203
Energy: 2.062334709619108
Energy: 2.2465849296130105
Energy: 2.065187761528596
Energy: 2.2465849296130105

minimum gb energy = 2.0614017262911726 eV
minimum distance =  2.28124604926334 Angstroms
sigma value = 5


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

Energy: 1.9870000118919797
Energy: 2.0233994568134945
Energy: 2.294418026598122
Energy: 2.0233994568127325
Energy: 2.3032335607751486
Energy: 2.1078318369419544
Energy: 1.917954761689431
Energy: 2.1078318369396674
Energy: 1.917023043870392
Energy: 2.0012127869641945
Energy: 2.3243037653208716
Energy: 2.001212786965719
Energy: 1.9094645314609473
Energy: 2.090300430078567
Energy: 1.9455524142881337
Energy: 2.090300430079329
Energy: 1.946637783207354
Energy: 2.101985018709658
Energy: 2.3056775209231013
Energy: 2.101985018709658
Energy: 1.9947952735134566
Energy: 2.027496286879973
Energy: 1.9179532000737092
Energy: 2.0274962868792104
Energy: 1.917719651084332
Energy: 2.102539609907912
Energy: 1.9186979257578554
Energy: 2.1025396099071494
Energy: 1.9178574872984733
Energy: 2.030250163928541
Energy: 1.9185149215959256
Energy: 2.030250163927778
Energy: 1.9473370328936235
Energy: 2.1027366245495207
Energy: 1.9171477211346974
Energy: 2.1027366245510457
Energy: 1.9461386119852524
Energy: 2.1041574198053143
Energy: 1.906058797778962
Energy: 2.1041574198053143
Energy: 1.9647458636095845
Energy: 2.091288413460862
Energy: 1.9175149727210585
Energy: 2.0912884134585745
Energy: 1.9173945563042711
Energy: 2.127470816656736
Energy: 2.032878465507834
Energy: 2.127470816656736
Energy: 1.9949585289498568
Energy: 2.0246898168453655
Energy: 2.008454408222313
Energy: 2.0246898168453655
Energy: 1.9459872113923655
Energy: 2.023243310159261
Energy: 1.988932159862422
Energy: 2.0232433101577367
Energy: 2.3897303452612526
Energy: 2.0898112251005543
Energy: 1.9170258725240066
Energy: 2.089811225101317
Energy: 1.9454765428691003
Energy: 2.000940767693417
Energy: 1.9511208448593313
Energy: 2.0009407676918927
Energy: 2.305927994524353
Energy: 1.9817334351647846
Energy: 1.9317548174335102
Energy: 1.9817334351647846
Energy: 1.9461640599381298
Energy: 2.0243616279248604
Energy: 2.067509484220153
Energy: 2.0243616279271475
Energy: 1.9318545684314616
Energy: 2.1055186237927517
Energy: 1.9172331680686807
Energy: 2.1055186237927517
Energy: 1.9175531865476572
Energy: 2.1241289262975567
Energy: 1.9842408417112607
Energy: 2.1241289262983196
Energy: 1.9074248072244329
Energy: 2.0874694870907873
Energy: 1.9458699681320855
Energy: 2.0874694870892627
Energy: 1.9472751214867636
Energy: 2.1020320755837067
Energy: 1.9477322060755207
Energy: 2.1020320755806576
Energy: 1.9190250184826543
Energy: 2.0273590639513
Energy: 1.9072519346097347
Energy: 2.0273590639520624
Energy: 2.051867050121515
Energy: 2.0258398504065616
Energy: 1.9177515914439234
Energy: 2.0258398504065616
Energy: 2.0383312369590674
Energy: 2.0025922886629557
Energy: 1.9204903604484929
Energy: 2.0025922886606686
Energy: 1.9969741987824419
Energy: 2.0236695708122046
Energy: 1.9466629635557517
Energy: 2.023669570812967
Energy: 1.9182315730070396
Energy: 2.0732435832763594
Energy: 1.9739175780148068
Energy: 2.0732435832755964
Energy: 1.997839698828727
Energy: 2.093815556210418
Energy: 1.9452910867915574
Energy: 2.093815556208893
Energy: 1.917585721177672
Energy: 1.9567567073531629
Energy: 2.3208220076023016
Energy: 1.9567567073531629
Energy: 2.220464822959586
Energy: 2.0240515654996685
Energy: 1.9460773952725718
Energy: 2.0240515654973814
Energy: 1.9179670325019342
Energy: 1.9700279080871412
Energy: 2.2207077455754574
Energy: 1.9700279080833296
Energy: 2.302634688601372
Energy: 2.0242804934310485
Energy: 1.9174736533437544
Energy: 2.0242804934295235
Energy: 1.9455821950971373
Energy: 2.0920228346876306
Energy: 1.9089778756395228
Energy: 2.0920228346876306

minimum gb energy = 1.906058797778962 eV
minimum distance =  2.26814587891981 Angstroms
sigma value = 1


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

Energy: 1.9374287711065301
Energy: 1.9326818889180954
Energy: 1.842628783565007
Energy: 1.9326818889202035
Energy: 1.916503964634021
Energy: 1.9501878542564355
Energy: 1.8385396117314963
Energy: 1.9501878542595978
Energy: 1.7966729900801077
Energy: 1.9319891037179855
Energy: 2.647879726029611
Energy: 1.9319891037211476
Energy: 1.8710398095954572
Energy: 2.0326646753646656
Energy: 1.8427070968765384
Energy: 2.0326646753636113
Energy: 1.7974744102782885
Energy: 2.098547215504669
Energy: 2.3401161596173985
Energy: 2.098547215503615
Energy: 1.7985956371622795
Energy: 1.9413989522184263
Energy: 1.8423866254277192
Energy: 1.9413989522226425
Energy: 1.7979658033635832
Energy: 2.099208892524063
Energy: 1.866824515198161
Energy: 2.099208892520901
Energy: 1.7988409529301612
Energy: 1.9430201221811305
Energy: 1.8659108822890442
Energy: 1.9430201221811305
Energy: 1.9329894479509386
Energy: 1.9237814914061135
Energy: 1.8884777035109326
Energy: 1.9237814914050595
Energy: 1.932925183812658
Energy: 1.92386006296104
Energy: 1.8664285578752349
Energy: 1.9238600629620943
Energy: 1.7988496810615153
Energy: 1.9427229527993162
Energy: 1.902324258158572
Energy: 1.94272295279831
Energy: 1.7979562455201805
Energy: 2.0987731040433024
Energy: 1.8666442827351648
Energy: 2.0987731040454105
Energy: 1.7984990842338762
Energy: 1.9411610492816405
Energy: 1.8425863126578015
Energy: 1.94116104927958
Energy: 1.7974927784136452
Energy: 2.098513962998562
Energy: 1.932469619188131
Energy: 2.098513962999616
Energy: 1.8713353443074172
Energy: 2.0326637842489568
Energy: 1.842106669368137
Energy: 2.032663784251065
Energy: 1.7966831294744416
Energy: 1.9319692209617494
Energy: 1.9177416764176758
Energy: 1.9319692209638577
Energy: 1.9164202980650533
Energy: 1.9502347873245818
Energy: 1.8392202155393838
Energy: 1.9502347873235275
Energy: 1.937428771104422
Energy: 1.9326818889180954
Energy: 2.258331473842942
Energy: 1.9326818889202035
Energy: 1.9165039646308586
Energy: 1.9501878542564355
Energy: 1.8385396117336046
Energy: 1.9501878542595978
Energy: 1.796672990079054
Energy: 1.9319891037179855
Energy: 2.6478797260264484
Energy: 1.9319891037200938
Energy: 1.8710398095954572
Energy: 2.0326646753646656
Energy: 1.8427070968765384
Energy: 2.0326646753636113
Energy: 1.7974744102782885
Energy: 2.098547215504669
Energy: 2.3401161596173985
Energy: 2.098547215503615
Energy: 1.7985956371612253
Energy: 1.9413989522205344
Energy: 1.842386625428773
Energy: 1.9413989522247508
Energy: 1.797965803362529
Energy: 2.099208892523009
Energy: 1.866824515197107
Energy: 2.099208892520901

minimum gb energy = 1.796672990079054 eV
minimum distance =  2.27008290594358 Angstroms
sigma value = 17


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

Energy: 1.8849068007738345
Energy: 1.880208322733439
Energy: 2.3938445754541666
Energy: 1.8802083227340907
Energy: 2.1600828001108052
Energy: 1.851435139598614
Energy: 1.7943627407603728
Energy: 1.8514351395914472
Energy: 1.796998749806374
Energy: 1.855343279106902
Energy: 2.3835865572595587
Energy: 1.855343279108205
Energy: 1.8497000489358129
Energy: 1.791255781343313
Energy: 1.7937658257519191
Energy: 1.7912557813426615
Energy: 1.7768431514505585
Energy: 1.9895385273411297
Energy: 2.14297901758785
Energy: 1.9895385273359176
Energy: 1.76589754580614
Energy: 2.199806340581472
Energy: 1.8228791320496482
Energy: 2.199806340580169
Energy: 1.7972281684323974
Energy: 1.9589298647268627
Energy: 1.8641548885765793
Energy: 1.9589298647262114
Energy: 1.7749579702512963
Energy: 2.222478914042991
Energy: 1.774910112728943
Energy: 2.2224789140423393
Energy: 1.8756610788348143
Energy: 1.8385525869239472
Energy: 1.8197228437648028
Energy: 1.8385525869226442
Energy: 1.8808493080239381
Energy: 1.9244732625110659
Energy: 1.7956808754919247
Energy: 1.9244732625078083
Energy: 1.7978524797157647
Energy: 1.8869931716225201
Energy: 1.7748276606895745
Energy: 1.8869931716244746
Energy: 1.79808688735483
Energy: 1.9398271116873376
Energy: 1.7764739362924618
Energy: 1.939827111686686
Energy: 1.7656323190926573
Energy: 2.201529404403211
Energy: 1.7940305568831927
Energy: 2.201529404409075
Energy: 1.7772115656383913
Energy: 1.9880746298123337
Energy: 1.890596700178147
Energy: 1.9880746298123337
Energy: 1.7755467562071947
Energy: 1.8068958356287823
Energy: 1.8935932573447858
Energy: 1.8068958356313882
Energy: 1.796992812230849
Energy: 1.8566126967272805
Energy: 2.1394512449491683
Energy: 1.8566126967240233
Energy: 1.8189331430711917
Energy: 2.186437275363056
Energy: 1.7936524701036476
Energy: 2.1864372753611017
Energy: 1.7924753567354295
Energy: 1.8806921091154976
Energy: 1.806104931338425
Energy: 1.8806921091161488
Energy: 2.140849630514915
Energy: 1.9457240001246408
Energy: 1.7957211147124825
Energy: 1.9457240001259437
Energy: 1.8214405246671777
Energy: 1.8563933891109987
Energy: 1.8473173575789978
Energy: 1.856393389112302
Energy: 2.1408202635149665
Energy: 1.836100742304749
Energy: 1.7934285860322154
Energy: 1.8361007423067035
Energy: 1.792999564853191
Energy: 1.9360270002413138
Energy: 1.7981995534145971
Energy: 1.9360270002374047
Energy: 1.81722364567047
Energy: 1.8165397698882269
Energy: 1.8218844414407633
Energy: 1.8165397699454995
Energy: 1.7967971991089027
Energy: 1.9609008041768345
Energy: 2.1598296315544494
Energy: 1.9609008041768345
Energy: 1.8340164371091423
Energy: 1.881631890158537
Energy: 1.7927694033001877
Energy: 1.88163189015984
Energy: 1.7931589833350314
Energy: 1.991350836224783
Energy: 1.81902541542793
Energy: 1.9913508362254342
Energy: 2.1167377840275754
Energy: 1.9094106405748406
Energy: 1.7962355984362255
Energy: 1.909410640572886
Energy: 1.8983062095822898
Energy: 1.8071948555926443
Energy: 1.7753399592991557
Energy: 1.8071948555932957
Energy: 1.9115474940409507
Energy: 1.9877330983647514
Energy: 1.7767319368518462
Energy: 1.9877330983627972
Energy: 1.7937516437279148
Energy: 1.9124799962459937
Energy: 1.8412383011467268
Energy: 1.9124799962453423
Energy: 1.7771197800068292
Energy: 1.987587463200842
Energy: 1.7973471710674696
Energy: 1.9875874632014934
Energy: 1.7747804068426145
Energy: 2.1786792247736515
Energy: 1.7963276049429158
Energy: 2.1786792247710456
Energy: 1.7963198773411877
Energy: 1.9246376293407343
Energy: 2.163834829129015
Energy: 1.9246376293400829
Energy: 1.8423200467601066
Energy: 1.8385458845116232
Energy: 1.8254503829793094
Energy: 1.838545884509017
Energy: 1.7754555584585774
Energy: 1.8826344901796719
Energy: 1.8304089186350228
Energy: 1.8826344901783687
Energy: 1.8619895129904491
Energy: 1.9604966427209718
Energy: 1.7962649955258863
Energy: 1.9604966427274868
Energy: 1.8220648428123407
Energy: 1.8202436628230463
Energy: 1.7665714439371472
Energy: 1.8202436628236978
Energy: 2.1410153130754495
Energy: 1.9912374298624411
Energy: 1.7933074482266869
Energy: 1.9912374298656983

minimum gb energy = 1.7656323190926573 eV
minimum distance =  2.26458607639287 Angstroms
sigma value = 89


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

Energy: 1.6711755659515386
Energy: 1.6682583123624557
Energy: 2.5655580266241795
Energy: 1.6682583123624557
Energy: 1.6678295839128479
Energy: 1.7281167473802428
Energy: 1.6727046368292775
Energy: 1.7281167473802428
Energy: 1.678745521930697
Energy: 1.9578905915121383
Energy: 2.559840364192886
Energy: 1.957890591513843
Energy: 1.6440402127841858
Energy: 1.7280099939946767
Energy: 1.6728238338384473
Energy: 1.7280099939946767
Energy: 1.6705054734475027
Energy: 1.8250985412132308
Energy: 1.6719551265180732
Energy: 1.8250985412132308
Energy: 1.6679032570588637
Energy: 1.6704934541393808
Energy: 1.676384307965486
Energy: 1.6704934541410854
Energy: 1.6790870793777544
Energy: 1.9581073171491234
Energy: 1.6722040020603421
Energy: 1.9581073171474188
Energy: 1.6352268562672452
Energy: 1.9592381397130143
Energy: 1.6682036392444983
Energy: 1.9592381397130143
Energy: 1.6707421512124063
Energy: 1.8251315725799953
Energy: 1.6436619973389355
Energy: 1.8251315725799953
Energy: 1.7296295303238072
Energy: 1.8176833178902572
Energy: 1.6672200848099337
Energy: 1.8176833178902572
Energy: 1.6673536656234482
Energy: 1.7302894321124722
Energy: 1.6717028332588266
Energy: 1.7302894321141769
Energy: 1.6750235075107052
Energy: 1.9568810638778085
Energy: 1.6682546765555923
Energy: 1.9568810638778085
Energy: 1.6712222429381387
Energy: 1.6756945133202887
Energy: 1.638659019866559
Energy: 1.6756945133185839
Energy: 1.6677176602775334
Energy: 1.8217889085720445
Energy: 1.6674594729767789
Energy: 1.8217889085720445
Energy: 1.6438668269512775
Energy: 1.6757545002052059
Energy: 1.6714351752467276
Energy: 1.6757545002052059

minimum gb energy = 1.6352268562672452 eV
minimum distance =  2.28603918754018 Angstroms
sigma value = 13


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

Energy: 1.6025257300078057
Energy: 1.538056234658026
Energy: 1.50513758531516
Energy: 1.538056234648023
Energy: 1.9288882418501612
Energy: 1.5778799094051648
Energy: 1.5078803175592084
Energy: 1.577879909411595
Energy: 1.540153964431388
Energy: 1.5382166023747263
Energy: 2.3222431950665543
Energy: 1.5382166023790134
Energy: 1.539715320734897
Energy: 1.5778404550721519
Energy: 1.5074912677173227
Energy: 1.5778404550785825
Energy: 1.5406141004917462
Energy: 1.6549585192282585
Energy: 1.542716688553427
Energy: 1.6549585192332597
Energy: 1.512296049485093
Energy: 1.578436296991029
Energy: 1.5627781847785231
Energy: 1.5784362970031753
Energy: 1.5405956684985642
Energy: 1.6557199019130893
Energy: 1.5713252014588015
Energy: 1.65571990191952
Energy: 1.4934858137148532
Energy: 1.577786978382985
Energy: 1.5627721219771986
Energy: 1.5777869783751255
Energy: 1.540708622207454
Energy: 1.6557863170032743
Energy: 1.8947901095161384
Energy: 1.655786317010419
Energy: 1.9461549454357274
Energy: 1.6914301790478996
Energy: 1.5075940290696097
Energy: 1.691430179052901
Energy: 1.5403895533080563
Energy: 1.6881655051203348
Energy: 1.5141408094779754
Energy: 1.688165505117477
Energy: 1.5749110187263775
Energy: 1.6918022883705175
Energy: 1.508771759896591
Energy: 1.691802288357657
Energy: 1.614192238376238
Energy: 1.5675669821497018
Energy: 1.515992283915574
Energy: 1.5675669821389844
Energy: 2.2522824391380976
Energy: 1.6910051420764316
Energy: 1.5090004259501608
Energy: 1.6910051420735737
Energy: 1.5407409208675336
Energy: 1.537980181177257
Energy: 1.5159578445173474
Energy: 1.537980181170827
Energy: 1.5322667303244675
Energy: 1.6910977708878066
Energy: 1.5098040038950418
Energy: 1.691097770885663
Energy: 1.5308380792683265
Energy: 1.536918657158942
Energy: 1.510272211234247
Energy: 1.5369186571575129
Energy: 1.5320343387534419
Energy: 1.6551087869710301
Energy: 1.5818882915916905
Energy: 1.6551087869645997
Energy: 1.5315320156241117
Energy: 1.5709915055027968
Energy: 1.562727112988067
Energy: 1.5709915055098764
Energy: 1.531261898771482
Energy: 1.571224754176809
Energy: 1.5817022692781164
Energy: 1.5712247541846684
Energy: 1.5320623465721912
Energy: 1.6551396341754434
Energy: 1.5822960729823536
Energy: 1.6551396341875895
Energy: 1.5307376765469316
Energy: 1.5370905204723273
Energy: 1.5107004720904658
Energy: 1.5370905204659617
Energy: 1.5319996760633272
Energy: 1.6908335772894638
Energy: 1.5094234989065594
Energy: 1.6908335772887495
Energy: 1.5407292588170158
Energy: 1.5377944729024726
Energy: 1.5118885474498756
Energy: 1.5377944729110464
Energy: 2.252232952709253
Energy: 1.6907758547854714
Energy: 1.5089542826307776
Energy: 1.6907758547904732
Energy: 1.6138896995151546
Energy: 1.5674662071408156
Energy: 1.5120447460402506
Energy: 1.5674662071451022
Energy: 1.573811587927331
Energy: 1.691927687986135
Energy: 1.5084844960883377
Energy: 1.691927687987564
Energy: 1.5406592271651662
Energy: 1.688238415138409
Energy: 1.5121522511749714
Energy: 1.6882384151476975
Energy: 1.9461482710775244
Energy: 1.6915774912656882
Energy: 1.507671990372894
Energy: 1.691577491263545
Energy: 1.5407014294629902
Energy: 1.655748912002301
Energy: 1.895885968553794
Energy: 1.655748912005159
Energy: 1.4929280135373577
Energy: 1.5778372472032873
Energy: 1.56278975956959
Energy: 1.577837247206145
Energy: 1.5404918024345384
Energy: 1.6553423341622369
Energy: 2.251506172647284
Energy: 1.6553423341615223
Energy: 1.5119144345679216
Energy: 1.5786064662371457
Energy: 1.5628991503248286
Energy: 1.5786064662392891
Energy: 1.5405553140905852
Energy: 1.6550575069356048
Energy: 1.5754827878330375
Energy: 1.6550575069413207
Energy: 1.5381963353984862
Energy: 1.577694997992949
Energy: 1.5074874113928238
Energy: 1.5776949979872332

minimum gb energy = 1.4929280135373577 eV
minimum distance =  2.29907059319337 Angstroms
sigma value = 37


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

Energy: 1.855303538574256
Energy: 1.505102401774697
Energy: 1.3491320102549276
Energy: 1.505102401774697
Energy: 1.7592557656783911
Energy: 1.4641032876197613
Energy: 1.3763775398305342
Energy: 1.464103287618532
Energy: 1.446494123723366
Energy: 1.6475432907874437
Energy: 1.3711944827208087
Energy: 1.6475432907874437
Energy: 1.7029172790092704
Energy: 1.4647850262653193
Energy: 1.3998918196213843
Energy: 1.4647850262653193
Energy: 1.4035395431551778
Energy: 1.4635077669914118
Energy: 1.4090827695282335
Energy: 1.4635077669901824
Energy: 1.377252971943051
Energy: 1.464245669081898
Energy: 1.7136377341156652
Energy: 1.4642456690806689
Energy: 1.4164737852610976
Energy: 1.5400542806745166
Energy: 1.758475067062842
Energy: 1.5400542806745166
Energy: 1.3727445263891267
Energy: 1.4658427319605096
Energy: 1.4630406948148325
Energy: 1.4658427319605096
Energy: 1.387031863192788
Energy: 1.4635160960492979
Energy: 1.4291158796697663
Energy: 1.4635160960492979
Energy: 2.1243085770418033
Energy: 1.6299351666290423
Energy: 1.7134672357405982
Energy: 1.629935166627813
Energy: 1.4218503272941856
Energy: 1.5747957679134121
Energy: 1.7027781054829625
Energy: 1.5747957679158706
Energy: 2.1752834508290637
Energy: 1.464943094838789
Energy: 1.399703172837771
Energy: 1.4649430948363305
Energy: 1.7124289398211472
Energy: 1.46337199345703
Energy: 1.3690524242942594
Energy: 1.46337199345703
Energy: 2.327490837434182
Energy: 1.5304120431502006
Energy: 1.3768642172215417
Energy: 1.5304120431489714
Energy: 1.8046215462765975
Energy: 1.5320572969868265
Energy: 1.3727824802844435
Energy: 1.5320572969868265
Energy: 1.796099571780288
Energy: 1.4645850969015715
Energy: 1.3786009411738442
Energy: 1.464585096899113
Energy: 1.7125997878643855
Energy: 1.6294347144995367
Energy: 1.354300388380746
Energy: 1.6294347144995367
Energy: 1.7065711856605863
Energy: 1.5761453817112452
Energy: 1.399482565896407
Energy: 1.5761453817137034
Energy: 1.400151510890614
Energy: 1.4682594234670623
Energy: 1.3990225088309773
Energy: 1.468259423465833
Energy: 1.4036294817381996
Energy: 1.4646811216126467
Energy: 1.7037043064397766
Energy: 1.4646811216114175

minimum gb energy = 1.3491320102549276 eV
minimum distance =  2.30414376940046 Angstroms
sigma value = 25


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

Energy: 1.3036441745487426
Energy: 1.228564374379571
Energy: 1.1704552979726837
Energy: 1.2285643743805308
Energy: 1.7344988739126852
Energy: 1.261979338945953
Energy: 1.2336807824231801
Energy: 1.2619793389440332
Energy: 1.22674143663502
Energy: 1.2255260204280374
Energy: 1.1704236370343262
Energy: 1.2255260204289973
Energy: 1.1994467498603378
Energy: 1.2616983293644393
Energy: 1.2338675028667807
Energy: 1.2616983293653992
Energy: 1.2325159978888147
Energy: 1.2626706882436338
Energy: 1.1810708712280835
Energy: 1.2626706882445937
Energy: 1.1797179083088911
Energy: 1.2624856923597945
Energy: 1.2337189272182516
Energy: 1.2624856923597945
Energy: 1.2271281168184427
Energy: 1.225068999410779
Energy: 1.2101605006374914
Energy: 1.225068999411739
Energy: 1.1680149570746177
Energy: 1.302038180028835
Energy: 1.2281316789449424
Energy: 1.302038180027875
Energy: 1.2324767842246698
Energy: 1.262449964636966
Energy: 1.7340330769069516
Energy: 1.2624499646379257
Energy: 1.1800540955042902
Energy: 1.2259637166971675
Energy: 1.3057538223649237
Energy: 1.2259637166971675
Energy: 1.2362229900634425
Energy: 1.2250810265862886
Energy: 2.2124347689623867
Energy: 1.2250810265862886
Energy: 1.79163820257838
Energy: 1.3025908108682804
Energy: 1.228431928945704
Energy: 1.3025908108673205
Energy: 1.2327979826615931
Energy: 1.262592689006403
Energy: 1.7022386615908012
Energy: 1.2625926890083226
Energy: 1.8168573318107666
Energy: 1.2250531007381307
Energy: 1.2339716558190028
Energy: 1.2250531007381307
Energy: 1.2362108337469477
Energy: 1.2249920696202048
Energy: 1.1923717473206752
Energy: 1.2249920696192451
Energy: 1.2084616398098202
Energy: 1.434035688444685
Energy: 1.2276087813014782
Energy: 1.434035688444685
Energy: 1.2323550117137876
Energy: 1.3015464348874481
Energy: 1.1677365118591096
Energy: 1.301546434890328
Energy: 1.7474374873262835
Energy: 1.261896068781503
Energy: 1.2338772639317572
Energy: 1.2618960687824627
Energy: 1.3103896990106993
Energy: 1.225299647459384
Energy: 1.1822596453554508
Energy: 1.225299647459384
Energy: 2.210526928577734
Energy: 1.4394990953910112
Energy: 1.2275960712310054
Energy: 1.4394990953910112
Energy: 1.2329930261865059
Energy: 1.3013482300442607
Energy: 1.1648484750592876
Energy: 1.3013482300481
Energy: 1.2254525618502716
Energy: 1.262164186169821
Energy: 1.2337330741517771
Energy: 1.2621641861707806
Energy: 1.2272248542558002
Energy: 1.224963369975018
Energy: 1.827982605275685
Energy: 1.224963369976938
Energy: 1.186317698821036
Energy: 1.4393741124370714
Energy: 1.2278308397942173
Energy: 1.4393741124370714
Energy: 1.2317867585001832
Energy: 1.43405138552545
Energy: 1.8055181969577538
Energy: 1.43405138552449
Energy: 1.1789442097226268
Energy: 1.3021914739463474
Energy: 1.2391292567388492
Energy: 1.302191473943468

minimum gb energy = 1.1648484750592876 eV
minimum distance =  2.30927061088578 Angstroms
sigma value = 41


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

Energy: 1.9486614714998323
Energy: 1.114219609752256
Energy: 1.0429118370451507
Energy: 1.1142196097546166
Energy: 1.933569430901974
Energy: 1.0889943703097806
Energy: 1.0723269666085093
Energy: 1.0889943703113547
Energy: 1.1139601951317641
Energy: 1.0685598941763939
Energy: 1.0361468333994284
Energy: 1.068559894175607
Energy: 1.4963815950206705
Energy: 1.0906728132447614
Energy: 1.0723118753309726
Energy: 1.0906728132447614
Energy: 1.0676761353656918
Energy: 1.142821478175021
Energy: 1.0461418776773135
Energy: 1.142821478175021
Energy: 1.0577512881935534
Energy: 1.0907606976162794
Energy: 1.0722137430026097
Energy: 1.0907606976202142
Energy: 1.0713548086620588
Energy: 1.0894989484401016
Energy: 1.058663764477053
Energy: 1.0894989484401016
Energy: 1.0460980001229976
Energy: 1.1140219787021335
Energy: 1.0686479470955597
Energy: 1.1140219786989858
Energy: 1.0741463849365833
Energy: 1.1142178342661044
Energy: 1.4991407240366263
Energy: 1.1142178342661044
Energy: 1.040292805207187
Energy: 1.0693994425425737
Energy: 1.115002934510904
Energy: 1.0693994425394258
Energy: 1.071466606282472
Energy: 1.0894569450695082
Energy: 2.3029939028749893
Energy: 1.089456945068721
Energy: 1.0457196871071675
Energy: 1.1149108086720099
Energy: 1.9484192251836256
Energy: 1.1149108086688622
Energy: 1.0744899740947391
Energy: 1.1145701402990744
Energy: 2.3023179843277286
Energy: 1.1145701402951398
Energy: 1.56385653767204
Energy: 1.2286914026467137
Energy: 1.1146439857578927
Energy: 1.2286914026467137
Energy: 1.071451844299609
Energy: 1.0897076493815627
Energy: 1.913034221983311
Energy: 1.0897076493815627
Energy: 1.5781306223458595
Energy: 1.1158922945049359
Energy: 1.0684674766198903
Energy: 1.1158922945057228
Energy: 1.074321050429406
Energy: 1.1134944586452706
Energy: 1.4797889617412117
Energy: 1.1134944586468445
Energy: 1.5815941107078164
Energy: 1.229088933953686
Energy: 1.0723458463483726
Energy: 1.22908893395526
Energy: 1.0713315569121176
Energy: 1.113648944841499
Energy: 1.0434707801317384
Energy: 1.113648944841499
Energy: 1.6032159917916216
Energy: 1.114261390158786
Energy: 1.0689903583991942
Energy: 1.1142613901564251
Energy: 1.1170619888266
Energy: 1.1127641534754762
Energy: 1.0371311721748409
Energy: 1.112764153476263
Energy: 2.3014078364789428
Energy: 1.1419032540411451
Energy: 1.0724769139861867
Energy: 1.141903254039571
Energy: 1.9423911622445442
Energy: 1.1128729556726307
Energy: 1.0432397479134756
Energy: 1.1128729556710568
Energy: 1.9490858243923044
Energy: 1.1121949140468492
Energy: 1.0693624245825142
Energy: 1.1121949140484235
Energy: 1.1173720629369897
Energy: 1.2253405141906126
Energy: 1.0317380430579972
Energy: 1.2253405141906126
Energy: 1.9125528641613219
Energy: 1.1421215046327742
Energy: 1.0723846544731743
Energy: 1.1421215046319872
Energy: 1.0715598425681174
Energy: 1.1130120083147372
Energy: 1.5771527462373374
Energy: 1.1130120083123765
Energy: 1.0760872681849185
Energy: 1.1128452921708523
Energy: 1.0693577268803771
Energy: 1.112845292170065
Energy: 1.074883469931599
Energy: 1.225469762214466
Energy: 1.5789847618165869
Energy: 1.22546976221604
Energy: 1.0466823319485128
Energy: 1.173147071674148
Energy: 1.0755775949437016
Energy: 1.1731470716725743
Energy: 1.0708872789431132
Energy: 1.1128348117235256
Energy: 1.5999953355008125
Energy: 1.1128348117243125
Energy: 1.0453436523179078
Energy: 1.112427331082044
Energy: 1.121962404261216
Energy: 1.112427331081257

minimum gb energy = 1.0317380430579972 eV
minimum distance =  2.30385425953383 Angstroms
sigma value = 15


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

Energy: 1.8097219255599661
Energy: 0.9886723741115935
Energy: 0.942251210319902
Energy: 0.9886723741122602
Energy: 2.0409123090766386
Energy: 0.9844350055292249
Energy: 0.9863441059970602
Energy: 0.9844350055278916
Energy: 1.022957995385081
Energy: 0.9835425185379366
Energy: 0.9410075357338907
Energy: 0.9835425185412698
Energy: 1.7054004939012606
Energy: 0.9842267183659662
Energy: 0.9866324311963209
Energy: 0.9842267183639661
Energy: 0.9832660227729902
Energy: 0.9866051963794038
Energy: 1.4689672611836162
Energy: 0.9866051963540712
Energy: 1.3298092563991515
Energy: 0.9856150022930898
Energy: 0.9864566195069401
Energy: 0.9856150022910898
Energy: 0.9858989492458862
Energy: 1.0026065730192693
Energy: 0.9542358689184057
Energy: 1.0026065730192693
Energy: 0.9538157323065791
Energy: 1.0033085012084824
Energy: 0.9863752468929821
Energy: 1.0033085012058158
Energy: 0.9882246734182927
Energy: 1.004577488407109
Energy: 1.3303263704724293
Energy: 1.0045774884024425
Energy: 0.946959148235469
Energy: 0.9856774302309035
Energy: 0.9840227514364327
Energy: 0.9856774302342366
Energy: 0.9860442552486394
Energy: 0.9847456317487311
Energy: 1.7059822251252488
Energy: 0.9847456317467311
Energy: 0.9440594424142212
Energy: 0.9839391797755909
Energy: 1.0232544373039727
Energy: 0.9839391797755909
Energy: 0.9882310461224585
Energy: 1.00455459298233
Energy: 2.0400506966818712
Energy: 1.0045545929736637
Energy: 0.9470470805290497
Energy: 0.9848536000659887
Energy: 1.7381855206767274
Energy: 0.9848536000639887
Energy: 0.9858581169105406
Energy: 0.9845008810104124
Energy: 2.3639673768742413
Energy: 0.9845008810150789
Energy: 1.3950829127789424
Energy: 0.9840572984691656
Energy: 1.0234624057883999
Energy: 0.9840572984698321
Energy: 0.9882736563953599
Energy: 1.0038174351938929
Energy: 2.0255316045079796
Energy: 1.0038174351938929
Energy: 1.4048798058823417
Energy: 0.9837693548792265
Energy: 0.9839682665891747
Energy: 0.9837693548798931
Energy: 0.9857081046101892
Energy: 0.9840955593180073
Energy: 1.6908076644847299
Energy: 0.9840955593180073
Energy: 1.4023327347027974
Energy: 0.9847184367358127
Energy: 0.9865152483027954
Energy: 0.9847184367424792
Energy: 0.9882138149735396
Energy: 1.0233992154235592
Energy: 1.3171219547906274
Energy: 1.0233992154228926
Energy: 1.418671450789877
Energy: 1.0025872915861558
Energy: 0.9908031896008467
Energy: 1.002587291588156
Energy: 0.9856496389010161
Energy: 0.9847235575811515
Energy: 0.9433703684572465
Energy: 0.9847235575784848
Energy: 1.7051873144052254
Energy: 0.9855269652267702
Energy: 0.9865464085670032
Energy: 0.9855269652294366
Energy: 1.025354908410842
Energy: 1.0232812105578224
Energy: 0.9415085571217129
Energy: 1.0232812105611555
Energy: 2.0514694510115783
Energy: 1.0026709508671512
Energy: 0.9908784626928311
Energy: 1.002670950869151
Energy: 1.7372479391691058
Energy: 0.9840893974520739
Energy: 0.943415878799469
Energy: 0.9840893974487407
Energy: 2.3605916301456067
Energy: 0.985088626469736
Energy: 0.9867036899161071
Energy: 0.9850886264704026
Energy: 1.025435979511887
Energy: 1.0219505371106437
Energy: 0.9420349100897802
Energy: 1.0219505371013107
Energy: 1.7146817793594902
Energy: 1.0024334412880656
Energy: 0.9909547608043702
Energy: 1.0024334412893987
Energy: 0.9856277282032603
Energy: 0.9831099042858685
Energy: 1.4014952166711896
Energy: 0.9831099042805352
Energy: 1.69152832379841
Energy: 0.9839198324021867
Energy: 0.9865647263004873
Energy: 0.9839198324008536
Energy: 0.988319626331489
Energy: 1.021913166485941
Energy: 1.4066885251614887
Energy: 1.0219131664886076
Energy: 0.9592966278341795
Energy: 1.023123457777664
Energy: 0.9908703911406352
Energy: 1.0231234577803305
Energy: 0.9675923705899041
Energy: 0.9830340296746257
Energy: 1.4238189628897917
Energy: 0.9830340296866255
Energy: 0.9404617656222276
Energy: 0.9841026174753167
Energy: 0.988846133013936
Energy: 0.9841026174773168
Energy: 0.9882176196243248
Energy: 1.1157971450890702
Energy: 2.100274527163315
Energy: 1.1157971450764643

minimum gb energy = 0.9404617656222276 eV
minimum distance =  2.30081594087684 Angstroms
sigma value = 85


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

Energy: 1.7775979612230484
Energy: 0.9779920512585503
Energy: 1.0975721907483318
Energy: 0.9779920512585503
Energy: 2.270374236801756
Energy: 0.9570672876391682
Energy: 0.9029217517288745
Energy: 0.9570672876432155
Energy: 1.7247594112977327
Energy: 0.9720264158801549
Energy: 0.2923286849775695
Energy: 0.9720264158789985
Energy: 1.977223223676758
Energy: 0.9550721554222191
Energy: 0.9026210056073628
Energy: 0.9550721554204846
Energy: 1.1324394340249109
Energy: 0.915642804095854
Energy: 0.5852894012875344
Energy: 0.9156428040981668
Energy: 1.6836458688738754
Energy: 0.9719658525245319
Energy: 0.9026676808910322
Energy: 0.97196585252511
Energy: 1.0796296404263874
Energy: 0.9868685847844246
Energy: 1.0282400857348237
Energy: 0.9868685847826901
Energy: 1.6375339401500888
Energy: 0.9546895689877439
Energy: 0.9168525257777677
Energy: 0.9546895689894785
Energy: 0.9154715214054463
Energy: 0.9279806104461236
Energy: 1.3695880409695318
Energy: 0.9279806104276216
Energy: 1.3251154509002019
Energy: 0.9708806553806346
Energy: 1.07135152434141
Energy: 0.9708806553794782
Energy: 0.9043347213786709
Energy: 0.9549206791683061
Energy: 1.6840416198547483
Energy: 0.9549206791665715
Energy: 0.998490972752194
Energy: 0.9587548738472434
Energy: 1.1249320072921984
Energy: 0.9587548738559162
Energy: 0.9022914880808822
Energy: 0.9262190286858534
Energy: 1.9780574675553444
Energy: 0.9262190286858534
Energy: 0.830953554785828
Energy: 0.9727751305471938
Energy: 1.7119257329488733
Energy: 0.972775130545459
Energy: 0.9043576140205699
Energy: 0.9551030920348967
Energy: 2.5280810100566398
Energy: 0.9551030920337403
Energy: 0.8324794779138401
Energy: 0.9600974044219159
Energy: 1.6138168387011227
Energy: 0.9600974044242288
Energy: 0.9023771477525256
Energy: 0.9277065204723508
Energy: 2.3806590096469087
Energy: 0.9277065204711945
Energy: 1.2254227517435874
Energy: 0.9725475545616147
Energy: 1.7119482873407776
Energy: 0.9725475545610365
Energy: 0.904251306567271
Energy: 0.9562965081651242
Energy: 2.233864473111477
Energy: 0.956296508164546
Energy: 1.2401265585615322
Energy: 0.9552373822621338
Energy: 1.1251676923638603
Energy: 0.9552373822632902
Energy: 0.9032678934108732
Energy: 0.9408616017725708
Energy: 1.9373595389461622
Energy: 0.9408616017719927
Energy: 1.4044213644521646
Energy: 0.9552330516097916
Energy: 1.0715163420696432
Energy: 0.9552330516184644
Energy: 0.9197253307801656
Energy: 0.9539138191182683
Energy: 1.637964360334862
Energy: 0.9539138191136428
Energy: 1.4305260684584105
Energy: 0.9843377302389215
Energy: 0.9167173015228045
Energy: 0.9843377302389215
Energy: 1.0722731544103679
Energy: 0.9564273538591047
Energy: 1.3267717217431618
Energy: 0.9564273538619956
Energy: 1.6855061804959561
Energy: 0.9550491365148602
Energy: 0.9070817224308292
Energy: 0.9550491365137038
Energy: 1.12490546614086
Energy: 0.953910255065145
Energy: 0.9977418616544376
Energy: 0.9539102550686142
Energy: 1.9691321421528292
Energy: 0.9843880336970111
Energy: 0.9028056502868733
Energy: 0.9843880336987457
Energy: 1.7184055427420033
Energy: 0.9704374312809152
Energy: 0.9904953457807524
Energy: 0.97043743130173
Energy: 2.535173796315491
Energy: 0.9559964427914047
Energy: 0.9069425869084964
Energy: 0.9559964427896701
Energy: 1.7653940793499872
Energy: 0.9701236141491842
Energy: 0.8289924037012072
Energy: 0.970123614151497
Energy: 2.265818685703228
Energy: 0.9842626964872444
Energy: 0.9029786086416938
Energy: 0.9842626964855099
Energy: 1.7127533475171706
Energy: 0.9696426328000306
Energy: 0.8293497969501347
Energy: 0.9696426328006088
Energy: 2.2337050322804246
Energy: 0.9536864783020179
Energy: 0.9067780084234128
Energy: 0.9536864783008615
Energy: 1.124875859356114
Energy: 0.9536892898591451
Energy: 1.243528199831199
Energy: 0.9536892898603015
Energy: 1.6692665517203165
Energy: 1.0002083470985852
Energy: 0.9050273727942201
Energy: 1.0002083470968508
Energy: 1.0721371216066213
Energy: 0.953417650609892
Energy: 1.4030429851639559
Energy: 0.9534176506023757
Energy: 1.6377725815213295
Energy: 0.9535387100033649
Energy: 0.9206222786363711
Energy: 0.9535387100033649
Energy: 0.9189235765240874
Energy: 0.953599270803983
Energy: 1.4290910877721636
Energy: 0.9535992707999357
Energy: 1.0255489486747893
Energy: 1.0145675896701014
Energy: 1.0731538989761058
Energy: 1.0145675896695232
Energy: 0.9014337018924784
Energy: 0.9533618828063761
Energy: 2.0183698225297575
Energy: 0.9533618828040634
Energy: 0.9974621227185434
Energy: 0.9534557372022837
Energy: 1.1255748546408577
Energy: 0.9534557372086437
Energy: 0.9044888892381234
Energy: 0.9531860560885796
Energy: 2.038594617710179
Energy: 0.9531860560851106

minimum gb energy = 0.2923286849775695 eV
minimum distance =  2.30847439217655 Angstroms
sigma value = 113


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

Energy: 0.018257054596555498
Energy: 0.019207317891393412
Energy: 1.1277707533207306
Energy: 0.019207317891393412
Energy: 1.1272193514747433
Energy: 0.3593549738203543
Energy: 0.35963256180425535
Energy: 0.3593549738207988
Energy: 0.01825705459611102
Energy: 0.019207317891393412
Energy: 1.1277707551439362
Energy: 0.019207317891393412
Energy: 1.1272193514742985
Energy: 0.35935497381990983
Energy: 0.3596326283618089
Energy: 0.35935497382168774
Energy: 0.01825705459611102
Energy: 0.019207317891393412
Energy: 1.1277707533346082
Energy: 0.019207317890948934
Energy: 1.1272193514747433
Energy: 0.35935497381990983
Energy: 0.35963255082062234
Energy: 0.3593549738207988

minimum gb energy = 0.01825705459611102 eV
minimum distance =  2.53870758764702 Angstroms
sigma value = 1