Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.81791387822765
mass=95.95
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=[6.97554060734286e-20, 1.98394328234952e-19, 3.17860628949162e-19, 4.2712587103469394e-19, 5.286013303257179e-19, 6.174452290342859e-19, 6.91565124476394e-19, 7.539234412483079e-19, 8.055776159284679e-19, 8.4808015767522e-19, 8.84750776474212e-19, 9.182138376519359e-19, 9.49090985742384e-19, 9.7718355084294e-19, 1.002215958572556e-18, 1.0239847324987139e-18, 1.0422735787758238e-18, 1.057127358349638e-18, 1.0688552913105179e-18, 1.077829082637552e-18, 1.0844204373098278e-18, 1.0888969188252238e-18, 1.0914459818499179e-18, 1.0922646941098919e-18, 1.0913706795481199e-18, 1.0883986418920498e-18, 1.082834282442168e-18, 1.074033526191606e-18, 1.0614051699624179e-18, 1.0440055317171779e-18, 1.0217945570400359e-18, 9.9468733056939e-19, 9.61555919954904e-19, 9.21490288868466e-19, 8.73317644013988e-19, 8.157225983749559e-19, 7.47505121652504e-19, 6.67047015446292e-19, 5.71730323136364e-19, 4.57551205314354e-19, 3.1632253938052197e-19, 1.337034025015974e-19, -1.1139341330847418e-19, -4.3413379163181e-19, -8.38101801598668e-19, -1.314012348962028e-18, -1.86361981713612e-18, -2.51248533213978e-18, -3.36054946804866e-18, -4.4177136764608794e-18, -5.31143984643876e-18, -5.595393611282579e-18, -4.96839780733302e-18, -5.463502430771699e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017126761543236373
Energy: 1.4869032687397636
Energy: 2.7746723660154182
Energy: 0.017567806646235484
Energy: 1.486903268740535
Energy: 0.2056110588043029
Energy: 1.4871454072419166
Energy: 0.2056110588043029
Energy: 2.7746723660161896
Energy: 1.4871454072419166
Energy: 2.0764031937402434
Energy: 1.4871454072427335
Energy: 0.017567806647007102
Energy: 0.2056110588034859
Energy: 1.4871454072419166
Energy: 0.2056110588050745

minimum gb energy = 0.017126761543236373 eV
minimum distance =  2.69494195378021 Angstroms
sigma value = 1


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

Energy: 3.156481539372332
Energy: 1.7684666970522254
Energy: 1.6922091848401215
Energy: 1.7370606537520128
Energy: 2.7355064669493316
Energy: 1.507031829754436
Energy: 1.5067945666496259
Energy: 1.5070318297564176
Energy: 2.9788423855595814
Energy: 1.5063862406819262
Energy: 1.5067835588219336
Energy: 1.5063862406819262
Energy: 2.838374115288066
Energy: 1.5077046103751457
Energy: 1.5076267624250954
Energy: 1.5077046103751457
Energy: 1.50830416170402
Energy: 1.5074888707134673
Energy: 1.9739385097986764
Energy: 1.507488870715449
Energy: 2.837723743892959
Energy: 1.5074411347012433
Energy: 2.017906861510054
Energy: 1.5074411346972798
Energy: 2.558731119185537
Energy: 1.5080155581902126
Energy: 1.9863839795694607
Energy: 1.5080155581921943
Energy: 2.5610271915019496
Energy: 1.720922187547678
Energy: 2.018310786639477
Energy: 1.720922187547678
Energy: 2.298458558647062
Energy: 1.5693125901645941
Energy: 1.8303617519045907
Energy: 1.569312590166576
Energy: 2.5608896321522905
Energy: 1.5679402366628499
Energy: 2.557768585767841
Energy: 1.5679402366638406
Energy: 1.8728142198207245
Energy: 1.656392025180445
Energy: 2.4247883917982858
Energy: 1.656392025182427
Energy: 2.010221695744761
Energy: 1.7202244213506093
Energy: 2.560893929456028
Energy: 1.7202244213506093
Energy: 1.9877367810271283
Energy: 1.5075483206645555
Energy: 1.511681810633884
Energy: 1.5075483206596012
Energy: 2.0186314707586166
Energy: 1.5077260909236003
Energy: 2.980885114788204
Energy: 1.5077260909216186
Energy: 1.9994628970444248
Energy: 1.5074757148915605
Energy: 2.68587154621564
Energy: 1.507475714889579
Energy: 1.506673790335678
Energy: 1.5074112503834962
Energy: 2.9773682991233184
Energy: 1.5074112503864687
Energy: 1.5061370329429786
Energy: 1.5080937674212354
Energy: 2.979520027103803
Energy: 1.5080937674202444
Energy: 1.507968608674777
Energy: 1.5070358034158229
Energy: 1.7345972992850882
Energy: 1.507035803414832
Energy: 1.5404010279638911
Energy: 1.5406038310082248
Energy: 1.5093244263055927
Energy: 1.540603831006243
Energy: 1.686032821036299
Energy: 1.507690993792513
Energy: 1.5075388796557312
Energy: 1.5076909937905312
Energy: 1.6644002674746243
Energy: 1.5111347344430344
Energy: 2.980410669237586
Energy: 1.5111347344420436
Energy: 1.6873928491822245
Energy: 1.5064927267023804
Energy: 2.8380089643737083
Energy: 1.506492726700399
Energy: 1.6868436989174342
Energy: 1.5088988157009458
Energy: 1.5067463462072423
Energy: 1.5088988156979735
Energy: 2.2992273848613034
Energy: 1.507525808979937
Energy: 2.837480499130019
Energy: 1.507525808977955
Energy: 2.2995876122740038
Energy: 1.507733031214852
Energy: 2.836729988534946
Energy: 1.5077330312108883
Energy: 2.295040596642584
Energy: 1.5100421819100196
Energy: 2.299470959312043
Energy: 1.5100421819110104
Energy: 2.2978971085379674
Energy: 1.5091550406345087
Energy: 1.8377999097395075
Energy: 1.5091550406315362
Energy: 2.836882981605981
Energy: 1.5096414454278217
Energy: 2.2987807989848172
Energy: 1.5096414454238585
Energy: 2.6877904423330237
Energy: 1.5078309196665394
Energy: 2.298324356633793
Energy: 1.5078309196695123
Energy: 2.687985790341105
Energy: 1.5070642024665046
Energy: 1.6860780656631842
Energy: 1.5070642024684862
Energy: 2.8376034261093332
Energy: 1.5110271123713077
Energy: 1.659456694788052
Energy: 1.5110271123713077
Energy: 2.9784203521965527
Energy: 1.5087028300607122
Energy: 1.6859150967176668
Energy: 1.5087028300607122
Energy: 2.9731051335609466
Energy: 1.5419178217532143
Energy: 1.6683709350286728
Energy: 1.541917821755196

minimum gb energy = 1.5061370329429786 eV
minimum distance =  2.55238013636667 Angstroms
sigma value = 1


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

Energy: 3.577640387372232
Energy: 1.6833687330152332
Energy: 1.6840234736215867
Energy: 1.7420243126183865
Energy: 2.893868932100491
Energy: 1.5550155686352325
Energy: 1.55499666590032
Energy: 1.5550155686363623
Energy: 2.8934717946147117
Energy: 1.55432811706041
Energy: 1.5541772232323012
Energy: 1.55432811706041
Energy: 2.5939695307124797
Energy: 1.5554910460866636
Energy: 1.5544287127244374
Energy: 1.5554910460866636
Energy: 1.5537142205652046
Energy: 1.554807304832855
Energy: 1.9222249512954905
Energy: 1.554807304832855
Energy: 2.893946977715758
Energy: 1.5549061708962166
Energy: 1.9360264197741797
Energy: 1.554906170895087
Energy: 1.5564676419838455
Energy: 1.5546000301851133
Energy: 1.940835726260494
Energy: 1.5546000301862428
Energy: 2.5946322258776617
Energy: 1.5547122188550786
Energy: 1.9412988448521342
Energy: 1.5547122188573381
Energy: 2.59477145167759
Energy: 1.6327680801613293
Energy: 2.367086439998997
Energy: 1.6327680801624591
Energy: 2.593786342269517
Energy: 1.6330566293518556
Energy: 2.592470658647398
Energy: 1.6330566293518556
Energy: 2.5926473894158795
Energy: 1.6345789753694462
Energy: 2.2902828842876892
Energy: 1.6345789753683164
Energy: 1.9370016458764514
Energy: 1.6323223734301806
Energy: 2.2908130713183117
Energy: 1.632322373427921
Energy: 1.9409741653821673
Energy: 1.5546179344197948
Energy: 1.5573431619810283
Energy: 1.554617934418665
Energy: 1.9363245149479769
Energy: 1.5548850273483397
Energy: 1.5980898288357073
Energy: 1.5548850273483397
Energy: 1.9220707958527983
Energy: 1.5548044075499845
Energy: 2.878024480139224
Energy: 1.5548044075488545
Energy: 1.5548621014382205
Energy: 1.5551395768369247
Energy: 2.8773587028208123
Energy: 1.555139576835795
Energy: 1.5550729407223778
Energy: 1.5542607773379857
Energy: 2.894892889545127
Energy: 1.5542607773357264
Energy: 1.5543562568112823
Energy: 1.555028729472313
Energy: 1.5975055263141522
Energy: 1.555028729472313
Energy: 1.5546990798371914
Energy: 1.5550266073144812
Energy: 1.5535725151775897
Energy: 1.5550266073156112
Energy: 1.9361650112000282
Energy: 1.5547888667785832
Energy: 2.593469461029544
Energy: 1.554788866779713
Energy: 1.9383544494228013
Energy: 1.5548587428048328
Energy: 2.8936573455621626
Energy: 1.5548587428070924
Energy: 1.9373005460854449
Energy: 1.5546868900599058
Energy: 2.594687480766548
Energy: 1.5546868900610356
Energy: 1.9364403878308476
Energy: 1.6339448420239173
Energy: 1.5556466905496624
Energy: 1.6339448420227876
Energy: 2.5927649996279896
Energy: 1.6335389969230856
Energy: 2.5936409536819145
Energy: 1.6335389969230856
Energy: 2.2927216855141013
Energy: 1.634332181540744
Energy: 2.5928542554170124
Energy: 1.6343321815418739
Energy: 2.2896278533431307
Energy: 1.6349799848712514
Energy: 1.9359393284071449
Energy: 1.6349799848723814
Energy: 2.5934420207196442
Energy: 1.5546762754052796
Energy: 1.9450230260540085
Energy: 1.5546762754064094
Energy: 2.894038917028937
Energy: 1.5546064412456702
Energy: 1.936726299762256
Energy: 1.5546064412445408
Energy: 2.877830782892258
Energy: 1.5547482987646613
Energy: 1.9219327504073527
Energy: 1.5547482987646613

minimum gb energy = 1.5535725151775897 eV
minimum distance =  2.55536651403094 Angstroms
sigma value = 25


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

Energy: 3.3872623179064845
Energy: 1.7610969325075525
Energy: 1.7628603439376516
Energy: 1.7882481031061872
Energy: 2.7037542715954093
Energy: 1.6609353668817954
Energy: 1.660401250155122
Energy: 1.6609353668817954
Energy: 2.8089088712262233
Energy: 1.660106014577601
Energy: 1.6608949454964648
Energy: 1.6601060145762876
Energy: 2.6694321794704803
Energy: 1.6611605795188145
Energy: 1.659943365529689
Energy: 1.6611605795148743
Energy: 2.6642031196976856
Energy: 1.6607086085720186
Energy: 2.3055575586237125
Energy: 1.6607086085720186
Energy: 2.806685489040615
Energy: 1.7431174395142395
Energy: 2.320727771125119
Energy: 1.743117439512926
Energy: 2.8082743761644084
Energy: 1.6603726094784175
Energy: 2.3191603003304433
Energy: 1.6603726094784175
Energy: 2.3214602631462307
Energy: 1.7424980698819486
Energy: 2.3215684124323404
Energy: 1.742498069879322
Energy: 2.3186450402245393
Energy: 1.7426555902610554
Energy: 2.320859372750933
Energy: 1.742655590262369
Energy: 2.320685121506821
Energy: 1.742967898713567
Energy: 2.8068933872666593
Energy: 1.742967898717507
Energy: 2.282964319982155
Energy: 1.6606114612463077
Energy: 2.830511252048447
Energy: 1.6606114612449945
Energy: 1.6605552780250765
Energy: 1.660804215873564
Energy: 2.829222878786541
Energy: 1.660804215873564
Energy: 1.6596509764576175
Energy: 1.6597585390512704
Energy: 2.807413314910254
Energy: 1.659758539049957
Energy: 1.6598993550244838
Energy: 1.66082082491455
Energy: 2.8062650037624546
Energy: 1.6608208249132363
Energy: 1.6599544151942407
Energy: 1.7330360682960468
Energy: 1.6587414672968397
Energy: 1.7330360682921069
Energy: 1.9018763439045572
Energy: 1.6607481747998758
Energy: 2.6647701220831053
Energy: 1.6607481748011892
Energy: 1.9037534647270662
Energy: 1.6600102834067811
Energy: 2.8064143344654213
Energy: 1.660010283405468
Energy: 1.9020513425124643
Energy: 1.660239488331764
Energy: 2.6699206760058836
Energy: 1.6602394883304505
Energy: 1.9018219995815486
Energy: 1.7500710001144828
Energy: 2.314332372258538
Energy: 1.7500710001171091
Energy: 2.668647783271237
Energy: 1.660131879609261
Energy: 2.66812998671433
Energy: 1.660131879609261
Energy: 2.4999009307850812
Energy: 1.6608949494306633
Energy: 2.6687732689930455
Energy: 1.6608949494306633
Energy: 2.496843005689851
Energy: 1.660388922862752
Energy: 1.901856325471702
Energy: 1.660388922862752
Energy: 2.66830041377566
Energy: 1.6601126998659055
Energy: 1.883743380297414
Energy: 1.660112699871159
Energy: 2.807038199006559
Energy: 1.6605196429493765
Energy: 1.9019254705171826
Energy: 1.660519642952003
Energy: 2.826831044386055
Energy: 1.6611977926690655
Energy: 1.8642297422866378
Energy: 1.6611977926690655

minimum gb energy = 1.6587414672968397 eV
minimum distance =  2.53340646742561 Angstroms
sigma value = 9


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

Energy: 3.0462425922746186
Energy: 1.8105518060453731
Energy: 1.8094783573207467
Energy: 1.905017344927966
Energy: 2.6771355453202026
Energy: 1.6980610344657556
Energy: 1.6969676424052842
Energy: 1.698061034464189
Energy: 2.6776581466260203
Energy: 1.6964392242707127
Energy: 1.6913457242827348
Energy: 1.696439224269146
Energy: 2.676876479260813
Energy: 1.6940522808561682
Energy: 1.692300791687124
Energy: 1.6940522808546015
Energy: 2.1969336368869357
Energy: 1.7572460898182236
Energy: 2.1659805779517343
Energy: 1.7572460898197904
Energy: 2.676612892221278
Energy: 1.8135786004378656
Energy: 2.207536876423716
Energy: 1.8135786004362988
Energy: 2.6774616551905677
Energy: 1.6928591627189675
Energy: 1.6759200517206214
Energy: 1.692859162720534
Energy: 2.209484502239038
Energy: 1.8157483167690613
Energy: 2.207517804777671
Energy: 1.8157483167690613
Energy: 2.2074460018563293
Energy: 1.8141042498979711
Energy: 2.6770433395632565
Energy: 1.8141042498979711
Energy: 2.2077414349365
Energy: 1.8140112836198816
Energy: 2.677092390335154
Energy: 1.8140112836198816
Energy: 2.165739655088206
Energy: 1.6968578015977211
Energy: 2.6335409555616707
Energy: 1.6968578015977211
Energy: 1.692135118911525
Energy: 1.6992990965782333
Energy: 2.6337989999639726
Energy: 1.699299096576667
Energy: 1.6935053006113958
Energy: 1.6967749488806956
Energy: 2.678653982932505
Energy: 1.696774948879129
Energy: 1.6924263093293652
Energy: 1.6938093742528733
Energy: 2.6769097546009566
Energy: 1.6938093742528733
Energy: 1.691806155050724
Energy: 1.7574379193701175
Energy: 2.19712878602224
Energy: 1.7574379193701175
Energy: 2.2079527419979375
Energy: 1.8139898721545287
Energy: 2.676404315012176
Energy: 1.813989872156095
Energy: 1.6757965507599881
Energy: 1.6960427791888244
Energy: 2.677742364634853
Energy: 1.6960427791888244
Energy: 1.6758461815585683
Energy: 1.6927723354739872
Energy: 2.207568485384904
Energy: 1.6927723354739872
Energy: 2.2082153584249413
Energy: 1.8144061156474143
Energy: 2.2068708694743866
Energy: 1.8144061156474143
Energy: 2.6767582054949566
Energy: 1.815801452717685
Energy: 2.207890488363152
Energy: 1.815801452716118
Energy: 2.6337467213608075
Energy: 1.6941734287399586
Energy: 2.1656080393819326
Energy: 1.6941734287399586

minimum gb energy = 1.6757965507599881 eV
minimum distance =  2.53295763649255 Angstroms
sigma value = 25


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

Energy: 2.7136012611299085
Energy: 1.947563625935685
Energy: 1.945315152383516
Energy: 1.9560933275655659
Energy: 2.629128163960298
Energy: 1.9090394111391122
Energy: 1.9066777741864727
Energy: 1.9090394111391122
Energy: 2.627774430174302
Energy: 1.908765632128342
Energy: 1.907695305225583
Energy: 1.9087656321302795
Energy: 2.6272377689577113
Energy: 1.9096989474984252
Energy: 1.9061793681674752
Energy: 1.9096989474964878
Energy: 2.2702651367535736
Energy: 1.9459941631529425
Energy: 2.517428051166994
Energy: 1.9459941631548796
Energy: 2.6270902784893777
Energy: 1.9829275384210008
Energy: 2.625834450054578
Energy: 1.9829275384229383
Energy: 2.517757372505267
Energy: 1.947885541401758
Energy: 2.599494777286689
Energy: 1.947885541401758
Energy: 1.906148896917457
Energy: 1.9099008289211417
Energy: 2.6006146255351714
Energy: 1.9099008289211417
Energy: 1.905999251378914
Energy: 1.908078677995377
Energy: 2.6281620992124126
Energy: 1.9080786779934393
Energy: 1.906297549904254
Energy: 1.9099099193080826
Energy: 2.629224746811628
Energy: 1.9099099193100202
Energy: 1.9057747748006877
Energy: 1.9085264495633647
Energy: 2.6212666759552947
Energy: 1.9085264495614274
Energy: 2.2341605203664674
Energy: 1.9108604134359974
Energy: 2.6212014254858
Energy: 1.9108604134321228
Energy: 2.2767324041961046
Energy: 1.9089883445031985
Energy: 2.6277095144247555
Energy: 1.9089883445031985
Energy: 2.273578781438196
Energy: 1.9084990578781083
Energy: 2.2742882815981296
Energy: 1.9084990578761707
Energy: 2.2745357824549584
Energy: 1.9088511621110615
Energy: 2.27475729392925
Energy: 1.9088511621110615
Energy: 2.628892238648153
Energy: 1.9094458738045612
Energy: 2.2755093454640756
Energy: 1.9094458738064988
Energy: 2.6018640861507185
Energy: 1.9097744906537228
Energy: 2.175187416286771
Energy: 1.9097744906556604

minimum gb energy = 1.9057747748006877 eV
minimum distance =  2.48917613375655 Angstroms
sigma value = 17


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

Energy: 2.8853495462278334
Energy: 1.982676101587404
Energy: 2.003900093568634
Energy: 1.991322842699842
Energy: 2.0796323721419943
Energy: 1.9804622764463133
Energy: 1.991734786791357
Energy: 1.9804622764397293
Energy: 2.4826668253465987
Energy: 1.9806893052126517
Energy: 1.9934743543072642
Energy: 1.9806893052115544
Energy: 2.4820861702504957
Energy: 1.9814338265661948
Energy: 1.9917012326569774
Energy: 1.9814338265640001
Energy: 2.481793281962925
Energy: 2.0089842929479187
Energy: 2.526801736083932
Energy: 2.0089842929501134
Energy: 2.4843448138264206
Energy: 1.970213464867798
Energy: 1.9788608164811643
Energy: 1.9702134648699927
Energy: 2.299927261344247
Energy: 2.0758139656672827
Energy: 2.0011075149091804
Energy: 2.0758139656705747
Energy: 1.974784460846095
Energy: 1.9710838575069844
Energy: 2.666655213770695
Energy: 1.9710838575080818
Energy: 1.975730862729747
Energy: 1.9688637394988835
Energy: 2.550176483775485
Energy: 1.9688637394966886
Energy: 1.9750811670968598
Energy: 1.9691160083049644
Energy: 2.6246967510060895
Energy: 1.9691160083027697
Energy: 1.9735285114073653
Energy: 1.9688963650892561
Energy: 1.9873515056763862
Energy: 1.9688963650892561
Energy: 2.5331437462958797
Energy: 2.0926398322587882
Energy: 2.034018727739966
Energy: 2.092639832257691
Energy: 2.538435382880514
Energy: 1.9683958316259274
Energy: 2.534774646742557
Energy: 1.9683958316270247
Energy: 2.538659987383099
Energy: 1.9688038268626362
Energy: 1.9743040711724245
Energy: 1.968803826858247
Energy: 2.622521453743793
Energy: 1.9687356900049584
Energy: 1.975417215450342
Energy: 1.9687356900027635
Energy: 2.549624372278702
Energy: 1.9690103004102633
Energy: 1.9735779181577209
Energy: 1.9690103004113602
Energy: 1.9893721081911695
Energy: 2.0305178147651173
Energy: 2.0694656269626166
Energy: 2.030517814769506
Energy: 2.6229045515560077
Energy: 2.0286924142585447
Energy: 2.418866038702981
Energy: 2.0286924142552527
Energy: 2.5481795277271004
Energy: 1.9697821898633585
Energy: 2.483928889340601
Energy: 1.9697821898666503
Energy: 1.9912437042826816
Energy: 2.0101703111120064
Energy: 2.41409968808164
Energy: 2.0101703111131037
Energy: 1.9934258628908266
Energy: 1.9805234174050772
Energy: 2.4858343262660916
Energy: 1.9805234174083692
Energy: 1.9913099110955212
Energy: 1.9807002784311758
Energy: 2.482629007593875
Energy: 1.9807002784267866
Energy: 1.9932526016502452
Energy: 1.9812353780526082
Energy: 2.5455653545042964
Energy: 1.981235378048269
Energy: 2.1316278843219005
Energy: 1.9814171827057288
Energy: 1.9891877083962906
Energy: 1.9814171827035338
Energy: 2.2123779676647763
Energy: 1.9808493634627342
Energy: 1.9741027914531049
Energy: 1.9808493634638316
Energy: 2.2123528538488664
Energy: 1.9814472195208483
Energy: 2.482570140687626
Energy: 1.9814472195230428
Energy: 2.2120746748206694
Energy: 1.9814204450908335
Energy: 2.212745882781732
Energy: 1.9814204450919304
Energy: 2.483059668658637
Energy: 1.9813059697895095
Energy: 2.2132508025850934
Energy: 1.9813059697906068
Energy: 2.076825882321965
Energy: 1.9808875353522442
Energy: 2.2126773671658695
Energy: 1.9808875353522442
Energy: 2.128170954014001
Energy: 1.9814165419400693
Energy: 1.991114067473835
Energy: 1.9814165419346326

minimum gb energy = 1.9683958316259274 eV
minimum distance =  2.48217417878696 Angstroms
sigma value = 53


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

Energy: 1.8240748970571852
Energy: 1.8403264600185854
Energy: 1.8718225506964925
Energy: 1.761669499006859
Energy: 2.116982411361259
Energy: 1.7774339127499919
Energy: 1.8677782683220585
Energy: 1.7774339127499919
Energy: 2.117359311539699
Energy: 1.8011438332363279
Energy: 1.8672828043933078
Energy: 1.8011438332363279
Energy: 2.1165312604464432
Energy: 1.7780692108896614
Energy: 1.8679663142058374
Energy: 1.7780692108896614
Energy: 2.117066350946464
Energy: 1.7796334095670672
Energy: 1.8675388611457118
Energy: 1.7796334095695934
Energy: 2.1170849589169034
Energy: 1.7756704500065794
Energy: 2.1173884135730794
Energy: 1.7756704500065794
Energy: 1.868544216227567
Energy: 1.8011722635251344
Energy: 1.8245671441591487
Energy: 1.8011722635251344
Energy: 1.8694762922240702
Energy: 1.7781895834953083
Energy: 1.824664540499305
Energy: 1.7781895834953083
Energy: 1.8684153638406162
Energy: 1.8013217680204825
Energy: 2.1177670302703437
Energy: 1.8013217680204825
Energy: 1.8680970814450824
Energy: 1.7768438051839917
Energy: 2.125070165116052
Energy: 1.7768438051839917
Energy: 1.8667302867120543
Energy: 1.7799315517800627
Energy: 2.1260177780279674
Energy: 1.7799315517800627
Energy: 2.116254946086035
Energy: 1.8016465960763384
Energy: 2.1179378243989926
Energy: 1.8016465960763384
Energy: 1.8246405304838818
Energy: 1.8017480408670843
Energy: 1.869595910558603
Energy: 1.8017480408696105

minimum gb energy = 1.761669499006859 eV
minimum distance =  2.49818983929551 Angstroms
sigma value = 9


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

Energy: 2.8366290266042684
Energy: 2.271431301048437
Energy: 2.3728278107739547
Energy: 2.098136555141266
Energy: 2.203830530064164
Energy: 2.079449818655525
Energy: 2.201109805050744
Energy: 2.0794498186480452
Energy: 2.2009714421726145
Energy: 2.1256430350944013
Energy: 2.2013067769994725
Energy: 2.1256430350953366
Energy: 2.2019853892271564
Energy: 2.1247287958947205
Energy: 2.2015920513880554
Energy: 2.1247287958947205
Energy: 2.203448732716728
Energy: 2.1259674682089686
Energy: 2.2031356543514633
Energy: 2.1259674682061633
Energy: 2.2017510366560056
Energy: 2.0785061138731433
Energy: 2.205549286113591
Energy: 2.078506113868511
Energy: 2.3773581062330384
Energy: 2.27289239612585
Energy: 2.0867504071652694
Energy: 2.272892396119305
Energy: 2.4648281472931908
Energy: 2.078820056056891
Energy: 2.0669733173703952
Energy: 2.078820056057826
Energy: 2.4471721515401916
Energy: 2.1394228186257442
Energy: 2.1451579800235776
Energy: 2.1394228186220046
Energy: 2.2709437703497786
Energy: 2.1011542028641297
Energy: 2.143878535479565
Energy: 2.101154202861325
Energy: 2.4462417651436428
Energy: 2.0791243832636046
Energy: 2.149557160766244
Energy: 2.07912438326454
Energy: 2.46399836682089
Energy: 2.051717079009536
Energy: 2.1438655653442775
Energy: 2.051717079010471
Energy: 2.070801931384196
Energy: 2.0507650640991697
Energy: 2.144021202466
Energy: 2.0507650641029094
Energy: 2.1385099370551948
Energy: 2.1752557364097664
Energy: 2.5172523004427703
Energy: 2.1752557364107012
Energy: 2.3944480127440184
Energy: 2.0531515968070484
Energy: 2.654527195273902
Energy: 2.053151596814528
Energy: 2.360506840896069
Energy: 2.0376448468399784
Energy: 2.604320126819276
Energy: 2.0376448468343686
Energy: 2.1703853047146677
Energy: 2.0503752373761057
Energy: 2.6931591999656486
Energy: 2.05037523737704
Energy: 2.1513007405636797
Energy: 2.050567652135775
Energy: 2.6487270193709556
Energy: 2.0505676521282954
Energy: 2.1549459820665184
Energy: 2.0402851926559493
Energy: 2.1401649970684424
Energy: 2.0402851926550145
Energy: 2.1544282451012737
Energy: 2.0538420041641086
Energy: 2.0760201491922676
Energy: 2.0538420041631738
Energy: 2.643179466181616
Energy: 2.0392560304230423
Energy: 2.645650219890101
Energy: 2.039256030413692
Energy: 2.6597629231366477
Energy: 2.069865885861446
Energy: 2.050496703419668
Energy: 2.069865885861446
Energy: 2.6598189063439457
Energy: 2.0485193546237124
Energy: 2.1573030622289178
Energy: 2.0485193546199723
Energy: 2.643960123321
Energy: 2.0397083773899682
Energy: 2.153914538904049
Energy: 2.0397083773983833
Energy: 2.657843577433088
Energy: 2.0514938338488715
Energy: 2.168501661522398
Energy: 2.0514938338479367
Energy: 2.4397969123498324
Energy: 2.0377834143967064
Energy: 2.155604098896164
Energy: 2.037783414400446
Energy: 2.693488308120926
Energy: 2.0959787446426374
Energy: 2.3939462859849487
Energy: 2.0959787446398326
Energy: 2.6427325959934063
Energy: 2.0507276876224574
Energy: 2.6140739559925037
Energy: 2.0507276876187177
Energy: 2.150300320222081
Energy: 2.078490808205337
Energy: 2.7680740081557027
Energy: 2.0784908082090765
Energy: 2.1452139339919865
Energy: 2.0531593682683624
Energy: 2.4668568237488797
Energy: 2.0531593682721025
Energy: 2.147673345285623
Energy: 2.0797715235184264
Energy: 2.46446575734324
Energy: 2.0797715235193617
Energy: 2.144153799917896
Energy: 2.0791747401978915
Energy: 2.4476604135602487
Energy: 2.0791747401904117
Energy: 2.144952533902335
Energy: 2.1254545876895845
Energy: 2.4431164205810934
Energy: 2.1254545876886497
Energy: 2.1429986611591874
Energy: 2.079565748799665
Energy: 2.4665195502421615
Energy: 2.0795657487912504
Energy: 2.767924741827406
Energy: 2.2738423520541593
Energy: 2.5432390147050743
Energy: 2.2738423520625743

minimum gb energy = 2.0376448468343686 eV
minimum distance =  2.40349109625585 Angstroms
sigma value = 73


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

Energy: 2.9356567797296345
Energy: 2.422829199786778
Energy: 2.2846991353466484
Energy: 2.1429067698846396
Energy: 2.2745508291309493
Energy: 2.123699762256655
Energy: 2.272757759242247
Energy: 2.1236997622552045
Energy: 2.273679332794499
Energy: 2.1857223016734633
Energy: 2.273968083379747
Energy: 2.1857223016734633
Energy: 2.2734394250289838
Energy: 2.1855300690205897
Energy: 2.2735072473334963
Energy: 2.185530069022073
Energy: 2.274938484452557
Energy: 2.185435401250679
Energy: 2.274956834986156
Energy: 2.185435401250679
Energy: 2.2746854778247534
Energy: 2.123484729727061
Energy: 2.274522869776937
Energy: 2.123484729727061
Energy: 2.2732795046593157
Energy: 2.4229110354471475
Energy: 2.207822521839317
Energy: 2.4229110354471475
Energy: 2.638625174439226
Energy: 2.122370505750874
Energy: 2.617494834654688
Energy: 2.122370505750874
Energy: 2.6352730148901293
Energy: 2.2222770603816633
Energy: 2.186515363733852
Energy: 2.222277060383146
Energy: 2.381728268015294
Energy: 2.172073116600535
Energy: 2.1967164110465576
Energy: 2.172073116600535
Energy: 2.6368504163038398
Energy: 2.1228130194138504
Energy: 2.2053212000737474
Energy: 2.122813019412367
Energy: 2.6242759342701287
Energy: 2.1093679610531058
Energy: 2.1852450716475915
Energy: 2.1093679610531058
Energy: 2.633765134234816
Energy: 2.1142664279413674
Energy: 2.1868415528122296
Energy: 2.1142664279398837
Energy: 2.627620269989875
Energy: 2.107833109132247
Energy: 2.12489107628284
Energy: 2.107833109130764
Energy: 2.1428566622317446
Energy: 2.1075892021145357
Energy: 2.775192784620673
Energy: 2.1075892021145357
Energy: 2.1256872262305344
Energy: 2.1158152538698833
Energy: 2.74506267478803
Energy: 2.1158152538698833
Energy: 2.1864586275689883
Energy: 2.116937962173129
Energy: 2.744838997844444
Energy: 2.116937962173129
Energy: 2.185992515827687
Energy: 2.1170427769396793
Energy: 2.6225007449060795
Energy: 2.1170427769381956
Energy: 2.2080375088962203
Energy: 2.1225884944669633
Energy: 2.6343342677505475
Energy: 2.122588494468447
Energy: 2.1871618039859073
Energy: 2.173350666463117
Energy: 2.2108138014633734
Energy: 2.1733506664646
Energy: 2.186545122765075
Energy: 2.122951670635288
Energy: 2.6345031939720154
Energy: 2.122951670635288
Energy: 2.7530720684689487
Energy: 2.148098434507957
Energy: 2.651705985377017
Energy: 2.148098434507957

minimum gb energy = 2.1075892021145357 eV
minimum distance =  2.45430406297781 Angstroms
sigma value = 7


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

Energy: 3.657332146431115
Energy: 2.1802888602430395
Energy: 2.3858198299946167
Energy: 2.2044430132501964
Energy: 2.419469516161966
Energy: 2.1631216935331845
Energy: 2.4536659152432057
Energy: 2.1631216935331845
Energy: 2.422575860419864
Energy: 2.16052347074869
Energy: 2.335760503651793
Energy: 2.16052347074869
Energy: 2.3347802232591985
Energy: 2.1884122626778484
Energy: 2.3376352758918397
Energy: 2.1884122626788973
Energy: 2.3350935065299887
Energy: 2.2206232438075864
Energy: 2.3360150168230516
Energy: 2.2206232438075864
Energy: 2.4601601540323705
Energy: 2.1622879884631443
Energy: 2.417720942379731
Energy: 2.1622879884631443
Energy: 2.434872954358838
Energy: 2.1704021892285117
Energy: 2.252899053390069
Energy: 2.170402189226414
Energy: 2.723079713064525
Energy: 2.1796461210319427
Energy: 2.65346842741665
Energy: 2.1796461210308933
Energy: 2.7215849140905384
Energy: 2.162582721979729
Energy: 2.573590127742662
Energy: 2.162582721979729
Energy: 2.487944696074255
Energy: 2.236993703533732
Energy: 2.2318120149177996
Energy: 2.2369937035316343
Energy: 2.660213837146444
Energy: 2.163297059771684
Energy: 2.2670408488117793
Energy: 2.1632970597737824
Energy: 2.644937545665576
Energy: 2.181229201950408
Energy: 2.2348537883519755
Energy: 2.181229201950408
Energy: 2.659938807264918
Energy: 2.1614644278057917
Energy: 2.268123404441324
Energy: 2.1614644278047432
Energy: 2.6605530248932623
Energy: 2.363048237339823
Energy: 2.232190308848453
Energy: 2.363048237341921
Energy: 2.7238510594044785
Energy: 2.162472556448659
Energy: 2.5721995223606617
Energy: 2.162472556449708
Energy: 2.341199267616093
Energy: 2.16685036696475
Energy: 2.4945421409665145
Energy: 2.16685036696475
Energy: 2.4532674779410013
Energy: 2.1806066476902326
Energy: 2.4945791035284337
Energy: 2.1806066476912815
Energy: 2.341527002354403
Energy: 2.162340566524699
Energy: 2.4207439924763006
Energy: 2.16234056652365
Energy: 2.329973805377274
Energy: 2.2204188884212672
Energy: 2.335507524126151
Energy: 2.2204188884191693
Energy: 2.3344568902351392
Energy: 2.2224426756257802
Energy: 2.328731695978483
Energy: 2.2224426756257802
Energy: 2.4189810534593987
Energy: 2.1622630957755673
Energy: 2.4190426851689053
Energy: 2.1622630957755673
Energy: 2.6530167021307522
Energy: 2.180057976194447
Energy: 2.4310380226665793
Energy: 2.1800579761933987
Energy: 2.653471642007081
Energy: 2.288724198214963
Energy: 2.3858347514292766
Energy: 2.288724198213914
Energy: 2.573190206648731
Energy: 2.163071235191487
Energy: 2.7232126558495233
Energy: 2.163071235191487
Energy: 2.2515920189247476
Energy: 2.236086213529238
Energy: 2.4894024010862923
Energy: 2.236086213530287
Energy: 2.267919978752057
Energy: 2.1614748980330045
Energy: 2.494334615931561
Energy: 2.161474898030907
Energy: 2.2081151106992696
Energy: 2.179550999211784
Energy: 2.6414776803491633
Energy: 2.179550999212833
Energy: 2.271265976623301
Energy: 2.1615028436687487
Energy: 2.659927109604304
Energy: 2.1615028436687487
Energy: 2.2106997221390454
Energy: 2.236758853981416
Energy: 2.253854161349541
Energy: 2.236758853981416
Energy: 2.5724255480969886
Energy: 2.1627150055688142
Energy: 2.724411117750013
Energy: 2.1627150055688142
Energy: 2.496409222983394
Energy: 2.180724802426435
Energy: 2.386033972734603
Energy: 2.180724802426435

minimum gb energy = 2.16052347074869 eV
minimum distance =  2.49538529751051 Angstroms
sigma value = 29


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

Energy: 2.604163762008797
Energy: 2.1700989456448574
Energy: 2.305920360319772
Energy: 2.081852841093641
Energy: 2.359228403567189
Energy: 2.0815756342067817
Energy: 2.3058743923669316
Energy: 2.081575634206051
Energy: 2.3584037514629346
Energy: 2.08189866070024
Energy: 2.3291000317335366
Energy: 2.0818986606991436
Energy: 2.3293084159200097
Energy: 2.0811876278752317
Energy: 2.0315332186383825
Energy: 2.0811876278745007
Energy: 2.330300969594573
Energy: 2.0802234603193375
Energy: 2.3585908324894223
Energy: 2.080223460319013
Energy: 2.3080700688754074
Energy: 2.080496139537202
Energy: 2.358593470078428
Energy: 2.080496139538298
Energy: 2.3074410337041935
Energy: 2.0825436814480542
Energy: 2.3149370920892878
Energy: 2.082543681447323
Energy: 2.3586908130454303
Energy: 2.145922367840796
Energy: 2.3572240935191227
Energy: 2.145922367839741
Energy: 2.596001238942882
Energy: 2.0817422415159172
Energy: 2.3572081729710623
Energy: 2.0817422415159172

minimum gb energy = 2.0315332186383825 eV
minimum distance =  2.51290446152814 Angstroms
sigma value = 5


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

Energy: 3.0501180409490893
Energy: 2.9201923722296357
Energy: 2.919785885164932
Energy: 2.7486777461017557
Energy: 2.1934950684783767
Energy: 2.1212209928235746
Energy: 2.3610005276544417
Energy: 2.121220992822584
Energy: 2.1910116075576895
Energy: 2.1556198814717513
Energy: 2.510909814087976
Energy: 2.1556198814707606
Energy: 2.1921061850016685
Energy: 2.1559744916696824
Energy: 2.543912401309415
Energy: 2.1559744916706736
Energy: 2.191260132031277
Energy: 2.156647300857779
Energy: 2.5097145640257805
Energy: 2.156647300857779
Energy: 2.2067448402308374
Energy: 2.115533718005586
Energy: 2.507776842230905
Energy: 2.1155337180036042
Energy: 2.2067734331009
Energy: 2.1155640740330006
Energy: 2.115349671460095
Energy: 2.1155640740310186
Energy: 2.2092406239214037
Energy: 2.1147019155835185
Energy: 2.4969301658594
Energy: 2.1147019155835185
Energy: 2.2062329200074533
Energy: 2.114784102257238
Energy: 2.273070890070298
Energy: 2.1147841022602107
Energy: 2.4923067056696784
Energy: 2.5764413919486513
Energy: 2.608983058852323
Energy: 2.5764413919516236
Energy: 2.2059578064780316
Energy: 2.1151116760903936
Energy: 2.2066482935278016
Energy: 2.115111676092375
Energy: 2.4601497195927187
Energy: 2.114689326201076
Energy: 2.3990736908180033
Energy: 2.114689326203058
Energy: 2.578789420242859
Energy: 2.419554164334827
Energy: 2.3981141615419657
Energy: 2.419554164334827
Energy: 2.2722770313060945
Energy: 2.1195414726848405
Energy: 2.2069155186718046
Energy: 2.1195414726848405
Energy: 2.4952965936855573
Energy: 2.115173584295622
Energy: 2.2065654904493672
Energy: 2.115173584295622
Energy: 2.4938921302851167
Energy: 2.116520191310452
Energy: 2.2075424580047778
Energy: 2.116520191311443
Energy: 2.5163212915001436
Energy: 2.1910756639700755
Energy: 2.207592233674206
Energy: 2.1910756639730478
Energy: 2.5109159005899637
Energy: 2.1561706594315435
Energy: 2.19067796372579
Energy: 2.1561706594335255
Energy: 2.5129090630643245
Energy: 2.157062450527558
Energy: 2.1904684546777156
Energy: 2.157062450526567
Energy: 2.383023315241457
Energy: 2.1555741573396827
Energy: 2.1928606874925674
Energy: 2.155574157337701
Energy: 2.689758103749913
Energy: 2.1145911864832962
Energy: 2.1185501518437957
Energy: 2.1145911864882505
Energy: 2.9231023022437923
Energy: 2.592801327944893
Energy: 2.1232095892007288
Energy: 2.592801327939939
Energy: 2.326157786134696
Energy: 2.156167308359985
Energy: 2.193090775180716
Energy: 2.1561673083639485
Energy: 2.4015028265570435
Energy: 2.3009936233284205
Energy: 2.3106971565768006
Energy: 2.3009936233284205
Energy: 2.4060315897104676
Energy: 2.1551186879025006
Energy: 2.3172188431284297
Energy: 2.15511868790151
Energy: 2.3250986487939787
Energy: 2.1215704670550055
Energy: 2.3014944826619135
Energy: 2.121570467054015
Energy: 2.3148917362603263
Energy: 2.124624713365286
Energy: 2.3050202081474613
Energy: 2.124624713368258
Energy: 2.3085227980414076
Energy: 2.1158194054876174
Energy: 2.3247801636563663
Energy: 2.1158194054876174
Energy: 2.215555375724565
Energy: 2.123614773720224
Energy: 2.3269303295994215
Energy: 2.1236147737212145
Energy: 2.31155185882434
Energy: 2.1555968718385317
Energy: 2.507831430008973
Energy: 2.1555968718355594
Energy: 2.3097519756590326
Energy: 2.1556882530242167
Energy: 2.50746318881005
Energy: 2.1556882530261983
Energy: 2.193454711757796
Energy: 2.182732448015949
Energy: 2.32546352935698
Energy: 2.182732448014958
Energy: 2.2222566994200297
Energy: 2.75058555899868
Energy: 2.9138730019415235
Energy: 2.75058555899868

minimum gb energy = 2.1145911864832962 eV
minimum distance =  2.40215307376037 Angstroms
sigma value = 1


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

Energy: 3.0892851894527436
Energy: 2.517819050253524
Energy: 2.5266789981226343
Energy: 2.138269671776318
Energy: 2.149874100779959
Energy: 2.05916583940665
Energy: 2.1868506163504784
Energy: 2.05916583940665
Energy: 2.1507195128221213
Energy: 2.0597514109105233
Energy: 2.350792475857307
Energy: 2.0597514109105233
Energy: 2.1679241850694817
Energy: 2.0579945081931386
Energy: 2.1759179251837013
Energy: 2.0579945081917685
Energy: 2.151750751104641
Energy: 2.058273037707153
Energy: 2.3503887660164304
Energy: 2.058273037705783
Energy: 2.154103643182722
Energy: 2.0582504009457185
Energy: 2.350486187560122
Energy: 2.0582504009443485
Energy: 2.151497832837469
Energy: 2.058842264306148
Energy: 2.350014083750935
Energy: 2.0588422643047775
Energy: 2.1519495230936037
Energy: 2.059490200372633
Energy: 2.35036954827583
Energy: 2.059490200372633
Energy: 2.1501634734666255
Energy: 2.0589609581153345
Energy: 2.1873241904080203
Energy: 2.0589609581153345
Energy: 2.344756346286982
Energy: 2.518511470260766
Energy: 2.5564953867826024
Energy: 2.518511470260766
Energy: 2.1492166231550094
Energy: 2.0590865465294965
Energy: 2.1518726101068966
Energy: 2.0590865465294965
Energy: 2.1509300149182984
Energy: 2.0596937033671012
Energy: 2.1771679688869567
Energy: 2.0596937033671012
Energy: 2.5263237678703474
Energy: 2.0607061589558153
Energy: 2.1759396482729283
Energy: 2.0607061589558153
Energy: 2.1866592641079245
Energy: 2.1921987450461673
Energy: 2.1498554243452874
Energy: 2.1921987450461673
Energy: 2.20021988269006
Energy: 2.059051523899983
Energy: 2.150307547114811
Energy: 2.059051523901353
Energy: 2.2065603496172588
Energy: 2.058108451222555
Energy: 2.1489855115409986
Energy: 2.058108451222555
Energy: 2.3533412162672422
Energy: 1.9920328672694538
Energy: 2.2479833865535714
Energy: 1.9920328672694538
Energy: 2.35045385797965
Energy: 2.058434199465958
Energy: 2.1507695945617336
Energy: 2.058434199465958
Energy: 2.35084948866238
Energy: 2.0755713251680588
Energy: 2.149322138095973
Energy: 2.0755713251680588
Energy: 2.3501484628751936
Energy: 2.060171989096903
Energy: 2.150064077411112
Energy: 2.060171989095533
Energy: 2.524529417378235
Energy: 2.0596410853878306
Energy: 2.3447090567798536
Energy: 2.0596410853892007
Energy: 2.556419781766827
Energy: 2.0604372542903513
Energy: 2.344668051579721
Energy: 2.0604372542903513
Energy: 2.151061914585313
Energy: 2.1907921468760847
Energy: 2.1498588168051134
Energy: 2.1907921468760847
Energy: 2.2003999883779466
Energy: 2.059400842286873
Energy: 2.556881332057515
Energy: 2.059400842286873

minimum gb energy = 1.9920328672694538 eV
minimum distance =  2.43436634396677 Angstroms
sigma value = 17


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

Energy: 3.2484176343512106
Energy: 2.8046754361637456
Energy: 2.807897406651884
Energy: 2.6659727468427534
Energy: 2.1608542802423307
Energy: 2.031021218274459
Energy: 2.2063915444719404
Energy: 2.031021218276999
Energy: 2.1593815805233625
Energy: 2.1260491739254155
Energy: 2.3560595453486557
Energy: 2.126049173928803
Energy: 2.160518694015402
Energy: 2.1268170313981236
Energy: 2.356168116143165
Energy: 2.12681703139897
Energy: 2.159259654770291
Energy: 2.127617838791177
Energy: 2.278057490456009
Energy: 2.127617838793717
Energy: 2.2702682984508358
Energy: 2.0138912332093386
Energy: 2.2679917703660837
Energy: 2.013891233210185
Energy: 2.2702113823774246
Energy: 2.0154838921280493
Energy: 2.2575595710515532
Energy: 2.0154838921246627
Energy: 2.2748860496397856
Energy: 2.015653570689566
Energy: 2.2812733489641133
Energy: 2.015653570687026
Energy: 2.278855570621276
Energy: 2.1267184406713557
Energy: 2.1610764677497807
Energy: 2.126718440673049
Energy: 2.3793976981570055
Energy: 2.129076519604077
Energy: 2.1601568479441995
Energy: 2.129076519602383
Energy: 2.20688895665218
Energy: 2.1267768115420616
Energy: 2.1607555586668314
Energy: 2.1267768115454486
Energy: 2.5784490910206466
Energy: 2.029519222274774
Energy: 2.0588614011991635
Energy: 2.029519222274774
Energy: 2.8019804454067008
Energy: 2.478779110165781
Energy: 2.02614655850811
Energy: 2.478779110167474
Energy: 2.1648666096788163
Energy: 2.2836901948450317
Energy: 2.1626426514199726
Energy: 2.2836901948450317
Energy: 2.355808599083065
Energy: 2.126467662721051
Energy: 2.291696149118013
Energy: 2.126467662720204
Energy: 2.17975526962607
Energy: 2.1262331169294684
Energy: 2.1888443893204994
Energy: 2.126233116927775
Energy: 2.164465016732297
Energy: 2.0321769720991676
Energy: 2.1892308670387224
Energy: 2.0321769720949336
Energy: 2.1632009916295103
Energy: 2.03954891427598
Energy: 2.3847381637517424
Energy: 2.039548914274287
Energy: 2.165383713800977
Energy: 2.030271025126693
Energy: 2.382790710478764
Energy: 2.0302710251258462
Energy: 2.1401278823693155
Energy: 2.1295992302153195
Energy: 2.3808667164475428
Energy: 2.1295992302110855
Energy: 2.1411622214048642
Energy: 2.06177242186167
Energy: 2.3795250414672835
Energy: 2.061772421866751
Energy: 2.1411552288396307
Energy: 2.0615719017722043
Energy: 2.3796684959417433
Energy: 2.0615719017696637
Energy: 2.1416718724300736
Energy: 2.3614280865146857
Energy: 2.1968280171065113
Energy: 2.361428086507911
Energy: 2.2567305334605554
Energy: 2.214547341364472
Energy: 2.5270759569131878
Energy: 2.2145473413695522
Energy: 2.161911936579188
Energy: 2.0609950948652846
Energy: 2.2668980270735544
Energy: 2.060995094871212
Energy: 2.141071762996126
Energy: 2.0614064561739505
Energy: 2.1415433239084156
Energy: 2.0614064561790313
Energy: 2.5574166041516193
Energy: 2.5296366780337256
Energy: 2.008135858590117
Energy: 2.5296366780388064
Energy: 2.1955526561668757
Energy: 2.0610900649787807
Energy: 2.1453825161734357
Energy: 2.061090064969466
Energy: 2.379536072864994
Energy: 2.0613369437597635
Energy: 2.1396856325532068
Energy: 2.061336943762304
Energy: 2.3923286565525803
Energy: 2.0620407408101173
Energy: 2.1396004578088523
Energy: 2.0620407408075767
Energy: 2.3804550491440524
Energy: 2.06195746902804
Energy: 2.1399558363457998
Energy: 2.061957469023806
Energy: 2.379507615840535
Energy: 2.031978839998686
Energy: 2.163484525950033
Energy: 2.0319788400046126
Energy: 2.3837586159319883
Energy: 2.0352116236007816
Energy: 2.1629825096590407
Energy: 2.0352116236033218
Energy: 2.378995248055798
Energy: 2.0305881467773417
Energy: 2.1643235186636827
Energy: 2.030588146773955
Energy: 2.189393637775964
Energy: 2.1270573517133284
Energy: 2.0267025440752575
Energy: 2.1270573517057074
Energy: 2.2924119920267017
Energy: 2.31864541790574
Energy: 2.0140808335326525
Energy: 2.3186454179031997
Energy: 2.159863302258469
Energy: 2.1262901226987223
Energy: 2.0267890708831406
Energy: 2.126290122699569
Energy: 2.144348515410593
Energy: 2.029800890089368
Energy: 2.420290798056874
Energy: 2.029800890089368

minimum gb energy = 2.008135858590117 eV
minimum distance =  2.42840116698959 Angstroms
sigma value = 89


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

Energy: 3.3364430911006084
Energy: 2.4457571109027647
Energy: 2.424388250322757
Energy: 2.1114330671613377
Energy: 2.06473388055775
Energy: 1.9938729515700357
Energy: 2.0953897362893565
Energy: 1.9938729515678202
Energy: 2.064546267711757
Energy: 1.9941921388035093
Energy: 2.226148832739754
Energy: 1.9941921388035093
Energy: 2.064802828497652
Energy: 1.995008501938391
Energy: 2.2275540744458615
Energy: 1.995008501938391
Energy: 2.0661877073884387
Energy: 1.993790363800869
Energy: 2.1878910508202365
Energy: 1.993790363800869
Energy: 2.1907265488034704
Energy: 1.892639177747411
Energy: 2.1903548555669246
Energy: 1.892639177747411
Energy: 2.187268879389538
Energy: 1.8938133338231635
Energy: 2.187806808522433
Energy: 1.8938133338231635
Energy: 2.188028129106879
Energy: 1.8944115755810915
Energy: 2.1878778249752484
Energy: 1.894411575583307
Energy: 2.190057478031917
Energy: 1.994944199167988
Energy: 2.065254452719492
Energy: 1.994944199167988
Energy: 2.189164306681438
Energy: 1.9933647706053723
Energy: 2.0647103723016174
Energy: 1.993364770607588
Energy: 2.1889585612494638
Energy: 1.9937877077434634
Energy: 2.0655025943424365
Energy: 1.9937877077412478
Energy: 2.0950848677850797
Energy: 1.9947075175963935
Energy: 2.1844666067960583
Energy: 1.994707517594178
Energy: 2.449765494504408
Energy: 2.4134424097307337
Energy: 2.1848352828163717
Energy: 2.4134424097307337
Energy: 2.065038740283282
Energy: 2.2006371083251355
Energy: 2.065628981646188
Energy: 2.2006371083251355
Energy: 2.015858529575276
Energy: 1.9948814571922249
Energy: 2.0650976541112818
Energy: 1.994881457190009

minimum gb energy = 1.892639177747411 eV
minimum distance =  2.43874568561143 Angstroms
sigma value = 13


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

Energy: 2.644746702799999
Energy: 2.3297069159944073
Energy: 2.341256453031411
Energy: 2.0576968331302465
Energy: 2.0076060485616036
Energy: 1.9460763989366514
Energy: 2.0187635032247577
Energy: 1.9460763989338652
Energy: 2.0051432602095716
Energy: 1.9445069807848876
Energy: 2.1182054399150516
Energy: 1.9445069807811728
Energy: 2.0077215197027227
Energy: 1.9451508129732802
Energy: 2.118147821621386
Energy: 1.9451508129723516
Energy: 2.0068157862101983
Energy: 1.950325022280752
Energy: 2.0535166700707936
Energy: 1.950325022280752
Energy: 2.1294495860855545
Energy: 1.7872616993421984
Energy: 2.0540646140844983
Energy: 1.7872616993421984
Energy: 2.1283350818042255
Energy: 1.7862259668032268
Energy: 2.0428936146573657
Energy: 1.7862259668060125
Energy: 2.1296432146555935
Energy: 1.9409495165515191
Energy: 2.0396926761943788
Energy: 1.9409495165505906
Energy: 2.127246890624805
Energy: 1.7891003242102237
Energy: 2.037621127037248
Energy: 1.789100324209295
Energy: 2.12761374492541
Energy: 1.790238099409435
Energy: 2.052181604569826
Energy: 1.79023809940572
Energy: 2.029654913552203
Energy: 1.7925207269661563
Energy: 2.0531507620505236
Energy: 1.7925207269661563
Energy: 2.0056546026536144
Energy: 1.9437459871896654
Energy: 2.0539140010642
Energy: 1.9437459871896654
Energy: 2.0051970240754375
Energy: 1.9438688732861735
Energy: 2.055142958411302
Energy: 1.9438688732861735
Energy: 2.0065052007708366
Energy: 1.946729309822067
Energy: 2.052702213996975
Energy: 1.9467293098192813
Energy: 2.0537812559839135
Energy: 1.9451269425648796
Energy: 2.3499311438401804
Energy: 1.9451269425658084
Energy: 2.053879886657645
Energy: 1.9446669830215022
Energy: 2.0055458672684163
Energy: 1.9446669830215022
Energy: 2.005642229531417
Energy: 1.9474448523224408
Energy: 2.006673023106866
Energy: 1.947444852324298
Energy: 2.3347554879855648
Energy: 1.9469400261383112
Energy: 2.1197588275142913
Energy: 1.9469400261383112
Energy: 2.0190016781382765
Energy: 1.9448173335251298
Energy: 1.9383436505460436
Energy: 1.9448173335279155
Energy: 2.0537052371786344
Energy: 1.9474430631814712
Energy: 2.005265307541817
Energy: 1.9474430631814712
Energy: 2.64479892163113
Energy: 1.9471054905765952
Energy: 2.0086948842999472
Energy: 1.9471054905756666
Energy: 2.054411765054989
Energy: 1.9463029193022074
Energy: 2.006234426937169
Energy: 1.9463029193022074
Energy: 2.053131307631993
Energy: 1.7852863212241807
Energy: 2.12925738811245
Energy: 1.7852863212251096
Energy: 2.037149435251988
Energy: 1.7881212521735428
Energy: 2.126780839213781
Energy: 1.7881212521744716
Energy: 2.0387780300003526
Energy: 1.7925207855468268
Energy: 2.1272226555711
Energy: 1.7925207855458982
Energy: 2.043417197106022
Energy: 1.7934923483624756
Energy: 2.1274430306804253
Energy: 1.7934923483643328
Energy: 2.0389409165084236
Energy: 1.7924275592321122
Energy: 1.9533513091511785
Energy: 1.7924275592330408
Energy: 2.053155134845188
Energy: 1.7885924318333917
Energy: 2.1278704551724408
Energy: 1.7885924318343203
Energy: 2.0536880008347
Energy: 1.9460236604930494
Energy: 2.009594704021286
Energy: 1.9460236604958354
Energy: 2.1571237584600977
Energy: 1.945988924564465
Energy: 2.0055562544526317
Energy: 1.9459889245635362
Energy: 2.053378377011035
Energy: 1.9512546695514255
Energy: 2.005809330089012
Energy: 1.951254669549568
Energy: 2.018782779548264
Energy: 1.9446393982673729
Energy: 2.054101155455624
Energy: 1.9446393982683012
Energy: 2.352035699994648
Energy: 1.944982347038122
Energy: 2.053628703362903
Energy: 1.944982347036265
Energy: 2.0056621126794
Energy: 2.1180239031441634
Energy: 2.007274698841832
Energy: 2.118023903147878
Energy: 1.9373249733060613
Energy: 1.944526117293645
Energy: 2.0053140836860024
Energy: 1.9445261172955024

minimum gb energy = 1.7852863212241807 eV
minimum distance =  2.44734430278068 Angstroms
sigma value = 37


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

Energy: 2.7668773666956836
Energy: 2.2006103534761547
Energy: 2.2153521179969173
Energy: 1.9721605575304275
Energy: 1.9235345098431385
Energy: 1.8710585993004498
Energy: 1.9375201683928847
Energy: 1.8710585993020474
Energy: 1.9241490415887639
Energy: 1.8709579207942226
Energy: 2.0009212432180092
Energy: 1.8709579207926248
Energy: 1.9239811803568803
Energy: 1.87093739858365
Energy: 2.0008119362081747
Energy: 1.8709373985868452
Energy: 1.9274850748437269
Energy: 1.871139587889231
Energy: 1.9126377835502204
Energy: 1.8711395878876331
Energy: 2.0099117044216794
Energy: 1.6975331930882558
Energy: 1.913825262919586
Energy: 1.6975331930882558
Energy: 2.010193817212327
Energy: 1.697878072976664
Energy: 1.9095505447227819
Energy: 1.697878072976664
Energy: 2.0166998952181694
Energy: 1.638266185642656
Energy: 1.9125077354497375
Energy: 1.638266185641058
Energy: 2.017123494107536
Energy: 1.6360374769162167
Energy: 2.0278094065981116
Energy: 1.6360374769162167
Energy: 2.0277386279151437
Energy: 1.6389249935798247
Energy: 2.0175689769550496
Energy: 1.6389249935798247
Energy: 1.9149147722821664
Energy: 1.8357745451617669
Energy: 2.0166706485377763
Energy: 1.8357745451617669
Energy: 1.9117106336508036
Energy: 1.6979659551881823
Energy: 2.0175116702064817
Energy: 1.6979659551865844
Energy: 1.9127063261549786
Energy: 1.698654618712052
Energy: 2.0173025099248076
Energy: 1.698654618712052
Energy: 1.9130532124011745
Energy: 1.707760899829344
Energy: 1.92409664522954
Energy: 1.7077608998325398
Energy: 2.0160131718049485
Energy: 1.8712055831226988
Energy: 1.9233426409022687
Energy: 1.8712055831242966
Energy: 1.9413738813363763
Energy: 1.8712445833773284
Energy: 1.9239560051819806
Energy: 1.871244583378926
Energy: 1.9127810509031447
Energy: 1.8778881233849674
Energy: 1.9233799063846349
Energy: 1.8778881233817717
Energy: 2.2276950172887173
Energy: 2.21873587354093
Energy: 1.9111025274145483
Energy: 2.218735873537735
Energy: 1.9243451680427814
Energy: 1.870971489381556
Energy: 1.910578907642965
Energy: 1.8709714893799583
Energy: 1.8519101857558784
Energy: 1.8710621634138567
Energy: 1.9251140336240486
Energy: 1.8710621634138567

minimum gb energy = 1.6360374769162167 eV
minimum distance =  2.45347593453633 Angstroms
sigma value = 25


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

Energy: 2.363904778274972
Energy: 2.0003000695371593
Energy: 2.032015006468465
Energy: 1.830757167681019
Energy: 1.7917372130014573
Energy: 1.7511873331952184
Energy: 1.7972619051552607
Energy: 1.751187333190228
Energy: 1.791467009299117
Energy: 1.7440268243847892
Energy: 1.7761988480096214
Energy: 1.7440268243822938
Energy: 1.792000906707417
Energy: 1.7439435547246174
Energy: 1.8475248986991448
Energy: 1.7439435547221225
Energy: 1.7541560211022937
Energy: 1.5936024658569683
Energy: 1.7516241640804664
Energy: 1.5936024658607109
Energy: 1.8468295497123635
Energy: 1.5865201942891196
Energy: 1.7480011504171058
Energy: 1.5865201942916147
Energy: 1.8452426645877773
Energy: 1.5861246145151664
Energy: 1.7471844848121736
Energy: 1.5861246145139187
Energy: 1.8422540173720667
Energy: 1.5317605547038113
Energy: 1.7509145756622733
Energy: 1.5317605547075543
Energy: 1.8260148634202784
Energy: 1.4885007897181644
Energy: 1.8517093502883828
Energy: 1.4885007897169165
Energy: 1.8329409862480528
Energy: 1.4884640684266464
Energy: 1.8506436359465013
Energy: 1.4884640684266464
Energy: 1.8525414425648248
Energy: 1.6691294198571718
Energy: 1.8525204534144821
Energy: 1.6691294198584194
Energy: 1.850739430100932
Energy: 1.4561562505220482
Energy: 1.850727158423787
Energy: 1.4561562505208006
Energy: 1.8503804157635486
Energy: 1.4580423957265878
Energy: 1.8504233620719042
Energy: 1.4580423957265878
Energy: 1.8501609810138888
Energy: 1.4899074614841186
Energy: 1.8522491695209389
Energy: 1.4899074614853662
Energy: 1.851293045974467
Energy: 1.4894167778615228
Energy: 1.842893317704083
Energy: 1.4894167778627705
Energy: 1.8509992828413862
Energy: 1.4889637754684584
Energy: 1.842744356617459
Energy: 1.488963775474696
Energy: 1.7526954015770595
Energy: 1.5869754605264867
Energy: 1.8427506600717525
Energy: 1.5869754605277344
Energy: 1.748177182483394
Energy: 1.5867261726685529
Energy: 1.851127649261481
Energy: 1.5867261726673052
Energy: 1.7477383284834855
Energy: 1.5873268753820622
Energy: 1.8441227454940363
Energy: 1.5873268753783192
Energy: 1.7521807992493557
Energy: 1.74440980558657
Energy: 1.791813885245352
Energy: 1.7444098055890649
Energy: 1.825376422292353
Energy: 1.7449808401638647
Energy: 1.793940296093217
Energy: 1.7449808401676077
Energy: 1.75182829282578
Energy: 1.7448738656158953
Energy: 1.7915150421838555
Energy: 1.7448738656133997
Energy: 1.7975505783598476
Energy: 1.7442199643990093
Energy: 1.7509311203370252
Energy: 1.7442199643977618
Energy: 2.0337004813365955
Energy: 2.0204953467880173
Energy: 1.8260603905950257
Energy: 2.020495346785522
Energy: 1.792814397175827
Energy: 1.7458705538586048
Energy: 1.793402227927587
Energy: 1.7458705538586048
Energy: 1.7708515311966928
Energy: 1.7454699917419716
Energy: 1.7914113673815677
Energy: 1.745469991740724

minimum gb energy = 1.4561562505208006 eV
minimum distance =  2.46014457205412 Angstroms
sigma value = 41


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

Energy: 2.2000695690648446
Energy: 1.8570556198879717
Energy: 1.86680320848766
Energy: 1.702880842638548
Energy: 1.6711739483431118
Energy: 1.6305186309082735
Energy: 1.677861151114129
Energy: 1.6305186309052049
Energy: 1.6709389061926494
Energy: 1.6311769333737607
Energy: 1.6374867510926867
Energy: 1.6311769333758062
Energy: 1.672115655021878
Energy: 1.6305662336262128
Energy: 1.7057535557370263
Energy: 1.630566233624167
Energy: 1.6296542676768868
Energy: 1.4928111855915251
Energy: 1.6256688166813187
Energy: 1.4928111855884567
Energy: 1.7085041558179161
Energy: 1.492903377728411
Energy: 1.6274404804808613
Energy: 1.492903377727388
Energy: 1.705528063779161
Energy: 1.4924912854710168
Energy: 1.6255785047771167
Energy: 1.4924912854720396
Energy: 1.6804825905835892
Energy: 1.5737371573943775
Energy: 1.6277327377257311
Energy: 1.573737157397446
Energy: 1.6794009143335433
Energy: 1.3946240111881005
Energy: 1.7128326380472703
Energy: 1.394624011185032
Energy: 1.6733793451369419
Energy: 1.395751805126594
Energy: 1.7128483798820424
Energy: 1.3957518051225026
Energy: 1.6827257647995437
Energy: 1.3397938152036128
Energy: 1.7122650914528406
Energy: 1.3397938152015672
Energy: 1.716467170220165
Energy: 1.3390355952214203
Energy: 1.7260787531907404
Energy: 1.3390355952193747
Energy: 1.7153016965988774
Energy: 1.3425117262178312
Energy: 1.7259230045071705
Energy: 1.3425117262188537
Energy: 1.7145231586288965
Energy: 1.3209375220047248
Energy: 1.7190165089951532
Energy: 1.3209375220016566
Energy: 1.7149631844055713
Energy: 1.3225019613236326
Energy: 1.7153594702176778
Energy: 1.3225019613236326
Energy: 1.7179877879762733
Energy: 1.3204009459650934
Energy: 1.7154881679026754
Energy: 1.320400945962025
Energy: 1.721322651250458
Energy: 1.3389040286059815
Energy: 1.715628661892134
Energy: 1.338904028604959
Energy: 1.7253851300875735
Energy: 1.3392076125727763
Energy: 1.7162207254850639
Energy: 1.3392076125727763
Energy: 1.7123298540739458
Energy: 1.3419715873751696
Energy: 1.6841953509331686
Energy: 1.3419715873731237
Energy: 1.712812486456678
Energy: 1.393393480572348
Energy: 1.682950081705163
Energy: 1.3933934805733708
Energy: 1.7131560109929729
Energy: 1.3989106283794983
Energy: 1.6728020207164922
Energy: 1.3989106283754067
Energy: 1.6702743346943174
Energy: 1.3940872322166948
Energy: 1.6793510216732837
Energy: 1.3940872322156719
Energy: 1.6269906649561126
Energy: 1.495074215310044
Energy: 1.68037604401451
Energy: 1.4950742153090213
Energy: 1.6229225140853218
Energy: 1.4935384906522704
Energy: 1.7120918358628159
Energy: 1.4935384906512479
Energy: 1.6257642881810452
Energy: 1.493241643685542
Energy: 1.6795067002326334
Energy: 1.4932416436875882
Energy: 1.6806362749975605
Energy: 1.6298504657283968
Energy: 1.672670040442024
Energy: 1.629850465725328
Energy: 1.6807360734513863
Energy: 1.6316856516852742
Energy: 1.6699820119780886
Energy: 1.631685651684251
Energy: 1.6274908148927782
Energy: 1.6323489874011967
Energy: 1.6707210207096572
Energy: 1.63234898740831
Energy: 1.6793942236865826
Energy: 1.6324322614379387
Energy: 1.6813133771734172
Energy: 1.6324322614369158
Energy: 1.6701089724391125
Energy: 1.6302279517037686
Energy: 1.680431053723479
Energy: 1.6302279517027458
Energy: 1.6719576515807666
Energy: 1.631478334167126
Energy: 1.6703438294030086
Energy: 1.6314783341650805
Energy: 1.6281892759830705
Energy: 1.630660745643403
Energy: 1.6703846800880096
Energy: 1.6306607456413575

minimum gb energy = 1.320400945962025 eV
minimum distance =  2.46774456459301 Angstroms
sigma value = 15


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

Energy: 1.9645096892439515
Energy: 1.7229424840078762
Energy: 1.7317062659562839
Energy: 1.5914280666067213
Energy: 1.564661789530032
Energy: 1.5301443423858414
Energy: 1.5692762192996839
Energy: 1.530144342381509
Energy: 1.5650434237474118
Energy: 1.529726415817074
Energy: 1.5286244840989147
Energy: 1.5297264158214061
Energy: 1.5648051657584445
Energy: 1.530730553083692
Energy: 1.5885382578186014
Energy: 1.53073055307676
Energy: 1.5289995664278033
Energy: 1.4107881194224574
Energy: 1.5249791816637066
Energy: 1.4107881194224574
Energy: 1.5901465551129217
Energy: 1.4103581423002916
Energy: 1.5238505624242664
Energy: 1.4103581423088771
Energy: 1.5993348203738327
Energy: 1.4112351200605417
Energy: 1.522256527734568
Energy: 1.41123512006834
Energy: 1.5651726128150496
Energy: 1.4803873878260412
Energy: 1.5567569315623457
Energy: 1.480387387809657
Energy: 1.5529528061611058
Energy: 1.3187712259375683
Energy: 1.598558779537476
Energy: 1.3187712259341027
Energy: 1.5551024050838198
Energy: 1.3197791370389116
Energy: 1.5982053862259158
Energy: 1.319779137039778
Energy: 1.561934851728203
Energy: 1.2598341324378668
Energy: 1.596196971793996
Energy: 1.2598341324378668
Energy: 1.6005902895712751
Energy: 1.2618797919835365
Energy: 1.6165127896300155
Energy: 1.2618797919800706
Energy: 1.6008497195719766
Energy: 1.259928429259415
Energy: 1.6168844781209355
Energy: 1.2599284292568156
Energy: 1.6043276584556991
Energy: 1.2290479214528582
Energy: 1.5997127521631982
Energy: 1.2290479214528582
Energy: 1.6004720398978838
Energy: 1.2279662272616219
Energy: 1.6039972215969125
Energy: 1.227966227262488
Energy: 1.6053160393289683
Energy: 1.2288658406815811
Energy: 1.6017662017099228
Energy: 1.228865840680715
Energy: 1.6059510008170719
Energy: 1.2141919400845016
Energy: 1.605359990009972
Energy: 1.2141919400784362
Energy: 1.603232279302668
Energy: 1.2150027759913942
Energy: 1.601725551678687
Energy: 1.2150027759809967
Energy: 1.6022605212639478
Energy: 1.213928285850638
Energy: 1.6056443921182906
Energy: 1.2139282858541038
Energy: 1.6020319494589144
Energy: 1.227092395315161
Energy: 1.6056368318325143
Energy: 1.2270923953116952
Energy: 1.603367635479422
Energy: 1.2265836836759143
Energy: 1.6003455136687945
Energy: 1.2265836836767805
Energy: 1.599788049320056
Energy: 1.228655026268341
Energy: 1.6028818250192651
Energy: 1.2286550262692075
Energy: 1.6037636998595945
Energy: 1.261048114860386
Energy: 1.6008260348060095
Energy: 1.2610481148560537
Energy: 1.6159119189596474
Energy: 1.261800801429918
Energy: 1.6026266735134467
Energy: 1.2618008014255857
Energy: 1.5963460595446441
Energy: 1.2583084659677575
Energy: 1.561831931903109
Energy: 1.2583084659720898
Energy: 1.5969017693671836
Energy: 1.3180109682388166
Energy: 1.5570471215281911
Energy: 1.3180109682414163
Energy: 1.6019043556770545
Energy: 1.3180926891357285
Energy: 1.5526206947205095
Energy: 1.3180926891374611
Energy: 1.5245601217831324
Energy: 1.3185803258307216
Energy: 1.5627820855549361
Energy: 1.3185803258211903
Energy: 1.524596705567288
Energy: 1.4116524154367662
Energy: 1.5972810797604649
Energy: 1.4116524154367662
Energy: 1.5197355823185736
Energy: 1.411244522835095
Energy: 1.5962450805522015
Energy: 1.411244522834228
Energy: 1.5225047316734655
Energy: 1.4107776035679385
Energy: 1.525698294286006
Energy: 1.4107776035679385
Energy: 1.5950379752735757
Energy: 1.5314512749484521
Energy: 1.5656084494168898
Energy: 1.5314512749484521
Energy: 1.562816759542733
Energy: 1.5297025470410444
Energy: 1.5657985493130928
Energy: 1.5297025470453767
Energy: 1.5224814745994455
Energy: 1.4104518051057744
Energy: 1.5655484967284943
Energy: 1.4104518051040413
Energy: 1.729615247951611
Energy: 1.7218585665675863
Energy: 1.563793416230401
Energy: 1.721858566571052
Energy: 1.564929876455772
Energy: 1.5311292094788396
Energy: 1.5223356822912175
Energy: 1.5311292094866376
Energy: 1.5282956020136231
Energy: 1.5308107330042022
Energy: 1.5658703994547705
Energy: 1.5308107330050686

minimum gb energy = 1.213928285850638 eV
minimum distance =  2.47272504226998 Angstroms
sigma value = 85


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

Energy: 2.1224433403625476
Energy: 1.5869345261280587
Energy: 1.5941247699611387
Energy: 1.4754458376570598
Energy: 1.4519295222943742
Energy: 1.4217495998050491
Energy: 1.456442267884927
Energy: 1.4217495998005398
Energy: 1.4519975746638216
Energy: 1.4216834531106648
Energy: 1.4744309888693947
Energy: 1.4216834531076588
Energy: 1.4519915888501636
Energy: 1.4214931478847002
Energy: 1.485381669682623
Energy: 1.4214931478862032
Energy: 1.416317387980175
Energy: 1.3180277564107632
Energy: 1.412685884630583
Energy: 1.31802775640926
Energy: 1.4857383162939712
Energy: 1.3177195962790558
Energy: 1.412299142824653
Energy: 1.31771959628131
Energy: 1.4855968208834796
Energy: 1.317734137031125
Energy: 1.413845096662491
Energy: 1.3177341370296223
Energy: 1.4480217912427256
Energy: 1.2353680903238589
Energy: 1.4446924309726696
Energy: 1.2353680903261133
Energy: 1.4357958922917256
Energy: 1.2327864038668412
Energy: 1.4846111084443965
Energy: 1.232786403868344
Energy: 1.4382796942533564
Energy: 1.2331536413694704
Energy: 1.4850242628095485
Energy: 1.2331536413664648
Energy: 1.446940118149833
Energy: 1.1747829854056506
Energy: 1.480380668128173
Energy: 1.1747829854048992
Energy: 1.4885409877891962
Energy: 1.1742170678128696
Energy: 1.4868789927514758
Energy: 1.1742170678113668
Energy: 1.4884321343332019
Energy: 1.1742660898679456
Energy: 1.4872545985246153
Energy: 1.1742660898686972
Energy: 1.487585291521786
Energy: 1.1361263883976123
Energy: 1.4821193814822957
Energy: 1.136126388399867
Energy: 1.487914052612619
Energy: 1.1392181895287559
Energy: 1.4918507674575843
Energy: 1.1392181895265014
Energy: 1.4921913611854134
Energy: 1.1360211989660918
Energy: 1.4912662478693965
Energy: 1.1360211989638376
Energy: 1.4920195753337928
Energy: 1.1157700044602885
Energy: 1.4920856257376782
Energy: 1.1157700044610401
Energy: 1.4934861603443912
Energy: 1.1161435630893097
Energy: 1.491379921346287
Energy: 1.1161435630885583
Energy: 1.4929294116373664
Energy: 1.116786874863479
Energy: 1.495642017056524
Energy: 1.116786874863479
Energy: 1.4931134592257842
Energy: 1.1103789134629534
Energy: 1.495618174364873
Energy: 1.1103789134629534
Energy: 1.4932892268132556
Energy: 1.109631577397865
Energy: 1.493287425653144
Energy: 1.109631577395611
Energy: 1.495595126653322
Energy: 1.1080939775028942
Energy: 1.49314986174089
Energy: 1.1080939775013912
Energy: 1.4956731581597018
Energy: 1.1153423240861156
Energy: 1.4932639272506179
Energy: 1.1153423240861156
Energy: 1.4909671695061608
Energy: 1.1153504063733253
Energy: 1.493477547131001
Energy: 1.1153504063718223
Energy: 1.491039463500941
Energy: 1.1170181109613293
Energy: 1.4918595886678814
Energy: 1.117018110960578
Energy: 1.4912845489295046
Energy: 1.1395603820114175
Energy: 1.4876346919739087
Energy: 1.1395603820129203
Energy: 1.4913289364084952
Energy: 1.1364053925829354
Energy: 1.4875335284028934
Energy: 1.1364053925851898
Energy: 1.4819842277394646
Energy: 1.1752661804144453
Energy: 1.4876050431949852
Energy: 1.1752661804099365
Energy: 1.486447798907276
Energy: 1.174976407588842
Energy: 1.4879948269307555
Energy: 1.1749764075880904
Energy: 1.4813968459382232
Energy: 1.1743053026865544
Energy: 1.4879160663023077
Energy: 1.1743053026843
Energy: 1.480861026991294
Energy: 1.2333510928437033
Energy: 1.4463564746461557
Energy: 1.233351092845206
Energy: 1.4885296117871176
Energy: 1.232574136740614
Energy: 1.434528286554674
Energy: 1.2325741367413652
Energy: 1.4810097150364654
Energy: 1.2335147575054892
Energy: 1.4481714990008805
Energy: 1.2335147575032348
Energy: 1.4126771324735676
Energy: 1.3175886058342927
Energy: 1.4491718203489194
Energy: 1.3175886058335415
Energy: 1.4133136259680907
Energy: 1.3179260131152009
Energy: 1.4885528326459974
Energy: 1.3179260131136978
Energy: 1.4121580588096516
Energy: 1.3177615139427825
Energy: 1.449100822414528
Energy: 1.3177615139435341
Energy: 1.4497086226590328
Energy: 1.4216488961462506
Energy: 1.4518762596926325
Energy: 1.4216488961462506
Energy: 1.4823925758770515
Energy: 1.4216789439235413
Energy: 1.451919949110032
Energy: 1.421678943921287
Energy: 1.4124106780108685
Energy: 1.4222032507451923
Energy: 1.4522935140285458
Energy: 1.422203250743689
Energy: 1.4566421605853022
Energy: 1.317705988330712
Energy: 1.436078223128875
Energy: 1.3177059883329665
Energy: 1.5940908087037045
Energy: 1.4222518142897245
Energy: 1.48247950485131
Energy: 1.4222518142882214
Energy: 1.4528680690468976
Energy: 1.4230924320331384
Energy: 1.452920305151919
Energy: 1.4230924320308842
Energy: 1.4569403194352228
Energy: 1.422428644120129
Energy: 1.4520656639588494
Energy: 1.4224286441178746

minimum gb energy = 1.1080939775013912 eV
minimum distance =  2.476181984041 Angstroms
sigma value = 113


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

Energy: 0.019376718748518887
Energy: 0.10213739488739139
Energy: 1.1192987020825593
Energy: 0.02004652991118146
Energy: 0.25957143951696465
Energy: 0.10165608916916939
Energy: 0.2603740867284273
Energy: 0.10165608916971501
Energy: 0.25984396900214035
Energy: 0.10199518149065917
Energy: 0.020173827481402954
Energy: 0.10199518149065917
Energy: 0.25972587787534573
Energy: 0.10335625957774615
Energy: 0.019585398541516752
Energy: 0.10335625957832387
Energy: 0.26004546141486395
Energy: 0.10170538109417605
Energy: 0.26054079916086625
Energy: 0.10170538109475377
Energy: 0.0194137312016701
Energy: 0.10203974803629443
Energy: 0.25951896452682877
Energy: 0.1020397480357488

minimum gb energy = 0.019376718748518887 eV
minimum distance =  2.71311538376602 Angstroms
sigma value = 1