Model name: model_name=EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005
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=3.65840482711792
cohesive_energy=3.892708402587109
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: 0.014678233510385672
Energy: 0.015240814591015813
Energy: -0.16535368181696167
Energy: 0.015240814591628234
Energy: 0.015240814591628234
Energy: 1.0879141087838262
Energy: 0.015240814591015813
Energy: 1.0879141087838262
Energy: -0.16535368182294977
Energy: 0.015240814591015813
Energy: 0.014678233512188912
Energy: 0.015240814591015813
Energy: 0.015240814591015813
Energy: 1.0879141087838262
Energy: 0.015240814591015813
Energy: 1.0879141087844388

minimum gb energy = -0.16535368182294977 eV
minimum distance =  2.49821527896383 Angstroms
sigma value = 1


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

Energy: -2.4737088233955924
Energy: 0.7370787433775479
Energy: 0.26283829412903004
Energy: 0.737078743376805
Energy: -2.490724123287664
Energy: -2.359531740876747
Energy: -2.397535655140747
Energy: -2.3595306392555755
Energy: 0.23229368526031466
Energy: 0.7132082245149087
Energy: -2.470804480219811
Energy: 0.7132082245119379
Energy: -2.2999358751915255
Energy: 0.6760410497478484
Energy: -2.2704609431390366
Energy: 0.6760410497456202
Energy: -2.2951780074857884
Energy: 0.7285208125830064
Energy: -1.9957489247995985
Energy: 0.7285208125807782
Energy: -2.572224419954029
Energy: 0.903476306109631
Energy: -2.0306832988696266
Energy: 0.9034763061088883
Energy: -2.5621777554240777
Energy: 0.6984811868473336
Energy: -2.4698906863143186
Energy: 0.6984811868510471
Energy: -2.215449139379281
Energy: 0.7318754130919294
Energy: 0.3311642284023734
Energy: 0.731875413093415
Energy: -2.2631949210827904
Energy: -2.021053543485966
Energy: -2.3312709478543554
Energy: -2.020934043127065
Energy: -2.063265756140039
Energy: 0.713831009791584
Energy: 0.25184692756828675
Energy: 0.7138310097900985
Energy: -2.498511294036917
Energy: -2.2943784674096963
Energy: -2.33386572324015
Energy: -2.2587370422575965
Energy: 0.2922711872227789
Energy: 0.7371176884261603
Energy: -2.2586536226140455
Energy: 0.7371176884254175
Energy: -2.680434598196823
Energy: 0.7072395631532895
Energy: -2.3585551633189135
Energy: 0.7072395631525469
Energy: -2.404079652675772
Energy: 0.7140471048323678
Energy: -2.252539087240659
Energy: 0.7140471048316249
Energy: -2.0710881434159054
Energy: 0.7284772777987523
Energy: -2.4093596898552474
Energy: 0.7284772778009806
Energy: -2.127079661594577
Energy: 0.7205030148375746
Energy: -2.2427903990451403
Energy: 0.7205030148338611
Energy: -2.5009036313222093
Energy: 0.7136487289864926
Energy: -2.0746628222134533
Energy: 0.7136487289857836
Energy: -2.5267385970463074
Energy: 0.6367513514687028
Energy: -2.7146739836526055
Energy: 0.6367513514672172
Energy: 0.14072833367463364
Energy: 0.7370431052170455
Energy: -2.227943292714066
Energy: 0.7370431052177883
Energy: -2.4450514603950966
Energy: -2.0961776680190596
Energy: -2.2834819518775644
Energy: -1.8908485123683862
Energy: -2.041968372297934
Energy: 0.71212884851098
Energy: 0.254887713357302
Energy: 0.7121288485146937
Energy: -2.4125834453710993
Energy: -2.505101934456784
Energy: -2.1690250934223427
Energy: -2.5051057508992782
Energy: -2.1661599771139337
Energy: 0.7281902626753873
Energy: -2.0867663622420998
Energy: 0.7281902626761302
Energy: -2.2192870467834322
Energy: 0.7067751538253947
Energy: -2.6179681154886283
Energy: 0.7067751538239092
Energy: -2.5085004407934592
Energy: 0.9072828885518525
Energy: -2.4250648041318024
Energy: 0.9072828885570516
Energy: -2.002751026150311
Energy: 0.7351947484396724
Energy: -2.4309239248034515
Energy: 0.7351947484389297
Energy: -2.1220847314301996
Energy: 0.9001442245279453
Energy: -2.3398828820200093
Energy: 0.9001442245294309
Energy: 0.2341169304734805
Energy: 0.7151750024795853
Energy: -2.2614145230521427
Energy: 0.7151750024788427
Energy: -2.324532647600562
Energy: 0.6376769034899933
Energy: -2.4530951377606884
Energy: 0.6376769034877652
Energy: -2.5028979581760025
Energy: 0.7362931323420105
Energy: -1.967542446784856
Energy: 0.7362931323442388
Energy: -2.3636296269295007
Energy: 0.7136521220950106
Energy: -2.3832741192454088
Energy: 0.7136521220957533
Energy: -1.9574248082597798
Energy: 0.7048393900354283
Energy: -2.375196868217721
Energy: 0.7048393900376565
Energy: -2.1781795590030595
Energy: 0.7430636127697056
Energy: -2.3475200561993503
Energy: 0.743063612774162

minimum gb energy = -2.7146739836526055 eV
minimum distance =  2.2345471593681 Angstroms
sigma value = 1


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

Energy: -1.9591592424867186
Energy: 0.8142715440686754
Energy: -1.3689561492398743
Energy: 0.8142715440686754
Energy: -1.7347051780419676
Energy: 0.7244531617885497
Energy: -1.700953303547402
Energy: 0.7244531617851624
Energy: 0.3222917313895516
Energy: 0.8150613263424635
Energy: -1.6924738565803992
Energy: 0.815061326345851
Energy: -1.6804817840903816
Energy: 0.7728027370302868
Energy: -1.5717941765751215
Energy: 0.7728027370328274
Energy: -1.6022223898361478
Energy: 0.7815662328667518
Energy: -1.5556858537558622
Energy: 0.7815662328752203
Energy: -1.8914454816133928
Energy: 0.7827140363742741
Energy: -1.5998180063395733
Energy: 0.7827140363751208
Energy: -1.7263828817183993
Energy: -1.6320321585958455
Energy: -1.8153861319561484
Energy: -1.8716545639308342
Energy: 0.30113372707900776
Energy: 0.8152349185382002
Energy: -1.3165187546093924
Energy: 0.8152349185415875
Energy: -1.7391475236394827
Energy: 0.8964764308432049
Energy: -1.8187553442454
Energy: 0.8964764308863943
Energy: -1.6413000716214
Energy: 0.8152914443926963
Energy: -1.2800328176077203
Energy: 0.8152914443893088
Energy: -1.5417498187791878
Energy: 0.6727736936887917
Energy: -1.7525931525248446
Energy: 0.6727736921058783
Energy: -1.5572640007950933
Energy: 0.7980054463462565
Energy: -1.8898738493291465
Energy: 0.7980054463445629
Energy: -2.1616373410967817
Energy: 0.7845516366854133
Energy: -1.5781746233325324
Energy: 0.7845516366854133
Energy: -2.152237638966303
Energy: 0.785107423484014
Energy: -1.481840432960677
Energy: 0.7851074234806265
Energy: -1.543144557303006
Energy: 0.7978450953763867
Energy: -1.7239476297901475
Energy: 0.7978450953704587
Energy: -1.6318499698879128
Energy: 0.6737697609941501
Energy: -1.6235349525715157
Energy: 0.673769760983141
Energy: -1.6623479857783783
Energy: 0.8153298351057464
Energy: -1.1806364193383716
Energy: 0.8153298351040527
Energy: -1.5889676981097502
Energy: 0.8928337429232248
Energy: -1.6336129256814316
Energy: 0.8928337429291527
Energy: 0.30525379455619484
Energy: 0.8147515676542513
Energy: -1.2458898345054106
Energy: 0.8147515676550983
Energy: -1.7239704653604946
Energy: -1.7958447790907406
Energy: -1.8235911318833853
Energy: -1.787902731814216
Energy: -1.975373611189605
Energy: 0.7819795519115167
Energy: -1.5651472781587685
Energy: 0.7819795519064356
Energy: -1.673142553392026
Energy: 0.7816793926990699
Energy: -1.5099569745829762
Energy: 0.7816793926982231
Energy: -1.723977412046013
Energy: 0.7732783288945597
Energy: -1.428560523802583
Energy: 0.7732783288962535
Energy: -1.374601562006898
Energy: 0.8153151712120722
Energy: -1.5190353155583616
Energy: 0.8153151712180002
Energy: -1.7014543311800225
Energy: 0.7333752946597856
Energy: -1.5814345303064803
Energy: 0.733375294657245
Energy: -1.8715390420938964
Energy: 0.8142715440678285
Energy: 0.381824009323857
Energy: 0.8142715440695223
Energy: -1.658103034275549
Energy: 0.7244531617868561
Energy: -1.5991343922147205
Energy: 0.724453161781775
Energy: 0.322291731387011
Energy: 0.8150613263441573
Energy: -1.789229333942959
Energy: 0.8150613263466979
Energy: -1.624122694586528
Energy: 0.7728027370268994
Energy: -1.7353024819423406
Energy: 0.7728027370328274

minimum gb energy = -2.1616373410967817 eV
minimum distance =  2.23443202577074 Angstroms
sigma value = 25


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

Energy: -1.3477722916608128
Energy: 0.8690463487869994
Energy: -1.1081255464781485
Energy: 0.8690463487869994
Energy: -1.116347530571541
Energy: 0.7254143541852244
Energy: -1.2561898380805796
Energy: 0.7254143541773489
Energy: -0.9118991455512997
Energy: 0.9198078691264474
Energy: -0.9570756903335322
Energy: 0.919807869125463
Energy: -0.7215552887510129
Energy: 0.904063355470565
Energy: -1.1485796798663108
Energy: 0.904063355470565
Energy: -1.077297941315882
Energy: 0.8713890729203969
Energy: 0.48406592743042753
Energy: 0.8713890729203969
Energy: -1.2132334103503581
Energy: 0.9290301430040986
Energy: -0.9163831285692186
Energy: 0.9290301430050831
Energy: -1.3997636200428205
Energy: -1.0800676417291437
Energy: -1.495480213073615
Energy: -0.9589344413846425
Energy: -1.5474689099767975
Energy: 0.8721630241143092
Energy: -1.1404351478291583
Energy: 0.8721630241143092
Energy: -1.4903543246669742
Energy: 0.6653823880760942
Energy: -1.0727443929708746
Energy: 0.6653823681135953
Energy: -1.01585272808417
Energy: 0.9214486021174502
Energy: -0.9260942519689234
Energy: 0.9214486021184345
Energy: -1.1243385207572747
Energy: 0.8910636000235136
Energy: -1.0934466065479265
Energy: 0.8910636000225292
Energy: -1.0759834167574687
Energy: 0.8805418441453197
Energy: -1.1679131509918483
Energy: 0.8805418441453197
Energy: -1.1936040771285956
Energy: 0.8954485579400902
Energy: -0.9082336816022152
Energy: 0.8954485579391056
Energy: -1.514578097587507
Energy: -0.9741031479302646
Energy: -1.1768426962764404
Energy: -0.9988080847764488
Energy: -0.787866469569459
Energy: 0.8773974114486743
Energy: -1.178622864532564
Energy: 0.8773974114506433
Energy: -1.391720691656191
Energy: 0.9453745986343932
Energy: -1.116712535443602
Energy: 0.9453737311333911
Energy: 0.42458850941689047
Energy: 0.9197564324856385
Energy: 0.42558496251010824
Energy: 0.9197564324856385
Energy: -0.9703854048169246
Energy: 0.7622673125498528
Energy: -0.8565079383235241
Energy: 0.7622673125567438
Energy: -0.7332576277317915
Energy: 0.8941870239991764
Energy: -1.1085023156521874
Energy: 0.8941870239962232
Energy: -1.0650160598275669
Energy: 0.9291121174832332
Energy: -1.1853309453936227
Energy: 0.9291121174832332
Energy: -1.265152236748649
Energy: 0.8692245747729286
Energy: -1.3551484673274394
Energy: 0.8692245747748976
Energy: -1.4358071808085195
Energy: 0.8698965814912721
Energy: -1.0208088634699355
Energy: 0.8698965814912721
Energy: -1.1699424476921756
Energy: 0.7565643172791192
Energy: -1.3373822372555126
Energy: 0.7565643143832064
Energy: 0.4180796546293281
Energy: 0.9185036955889873
Energy: -1.016779408697916
Energy: 0.9185036955870184
Energy: -1.4778048334630849
Energy: -1.0961320342286118
Energy: -1.1209528030705713
Energy: -1.0960918501602819

minimum gb energy = -1.5474689099767975 eV
minimum distance =  2.17958698135107 Angstroms
sigma value = 9


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

Energy: -0.41295742110490913
Energy: 1.0026902079399052
Energy: -1.117417301738155
Energy: 1.0026902079375566
Energy: -0.580106022349295
Energy: 0.8449188631865869
Energy: -0.5401709635899236
Energy: 0.8449188631924589
Energy: -0.22501159770996818
Energy: 1.004350546383285
Energy: 0.730298892510665
Energy: 1.0043505463785873
Energy: -0.8420371806215724
Energy: 1.0395888094344277
Energy: -0.44604724513292576
Energy: 1.0395888094344277
Energy: -0.6951029215670704
Energy: 0.8433068088230705
Energy: 0.728396201892691
Energy: 0.8433061068303013
Energy: 0.5641316210190312
Energy: 1.0072169002343165
Energy: -0.613496152377633
Energy: 1.0072169002331421
Energy: -0.9943926286375102
Energy: -0.3829814013210321
Energy: -0.583272107590145
Energy: -0.3135627348805076
Energy: -0.7170128069811375
Energy: 1.0068376192159407
Energy: -0.5605125687936527
Energy: 1.006837619213592
Energy: -0.7508163351962421
Energy: 0.8462820623885542
Energy: 0.7091393898012842
Energy: 0.8462820635001997
Energy: -0.555677022969965
Energy: 1.0097244477579734
Energy: -0.5079458687603057
Energy: 1.009724447759121
Energy: -0.3048161736609048
Energy: 0.9747962871271921
Energy: -0.3943120927642903
Energy: 0.9747962871260177
Energy: -0.5895269792098549
Energy: 0.834494235709701
Energy: -0.4520831098893622
Energy: 0.8344942356862403
Energy: 0.5454212876582885
Energy: 1.004126584265377
Energy: -0.6285955797758923
Energy: 1.0041265842677258
Energy: -0.6343492252665794
Energy: -0.4902549674971088
Energy: -0.7629152930115053
Energy: -0.8118271530938956
Energy: -0.14849555636887304
Energy: 1.004337063796225
Energy: -0.3448934810270273
Energy: 1.0043370637973992
Energy: -0.779699939364978
Energy: -0.512017348254354
Energy: -0.3924508380511807
Energy: -0.40893397785071467
Energy: -0.4638366362890494
Energy: 0.9741779623850371
Energy: 0.724776724088165
Energy: 0.9741779623838626
Energy: -0.8615663417607228
Energy: 1.0055875567395551
Energy: -0.621825209216577
Energy: 1.005587556738381
Energy: -0.7125037306111515
Energy: 0.8367168181614809
Energy: 0.712373122384362
Energy: 0.836716818142691
Energy: -0.21375153074173475
Energy: 1.0064779048306502
Energy: -0.5758097018431816
Energy: 1.0064779048341734
Energy: -0.9428760742923524
Energy: -0.4899024097290664
Energy: -0.42360120281154423
Energy: -0.4217542259061108

minimum gb energy = -1.117417301738155 eV
minimum distance =  2.19742745180873 Angstroms
sigma value = 25


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

Energy: 0.8388380624597299
Energy: 1.0759549517417102
Energy: 0.5200126341687149
Energy: 1.0759549517417102
Energy: 0.801815019878293
Energy: 0.9644146902405578
Energy: 0.7707390136100107
Energy: 0.9644146902405578
Energy: 0.8164630811364966
Energy: 1.1540689263771433
Energy: 0.7722844658074205
Energy: 1.1540689263771433
Energy: 0.8359437029546466
Energy: 1.0721557557325405
Energy: 0.674564373949192
Energy: 1.0721557557354453
Energy: 0.6750670056140052
Energy: 0.8042664113154896
Energy: 0.8059774968523336
Energy: 0.8042664113140373
Energy: 0.7698921237492127
Energy: 1.1573310074013836
Energy: 0.7753791304649986
Energy: 1.1573310074013836
Energy: 0.8006750578021825
Energy: 0.9342297554548125
Energy: 0.7734992327502875
Energy: 0.934229755457717
Energy: 0.6485650961732845
Energy: 1.0787592992514634
Energy: 0.8398693557770174
Energy: 1.0787592992514634
Energy: 0.7721899762164819
Energy: 0.9635051244268762
Energy: 0.8026058625353705
Energy: 0.9635051244268762
Energy: 0.7693328062165125
Energy: 1.0089181957818154
Energy: 0.7709974432216486
Energy: 1.0089181957832678
Energy: 0.6526803541823728
Energy: 1.076085452310616
Energy: -0.30102519508662057
Energy: 1.076085452310616
Energy: 0.7704196408051301
Energy: 0.896091969501418
Energy: 0.7192197656707091
Energy: 0.8960919695072275
Energy: 0.7707702753357059
Energy: 1.138123170012918
Energy: 0.7678296207231015
Energy: 1.1381231700056564
Energy: 0.7609979618443524
Energy: 0.9396826258954376
Energy: 0.838785420588272
Energy: 0.9396826258722003
Energy: 0.9082978666230042
Energy: 1.0766507371063532
Energy: 0.6674209473896715
Energy: 1.0766507371063532
Energy: 0.8049668249449843
Energy: 1.009413082657042
Energy: 0.7695653155646387
Energy: 1.009413082657042
Energy: 0.7740982908222205
Energy: 0.8247876826358875
Energy: 0.7547389066810312
Energy: 0.8247876826358875

minimum gb energy = -0.30102519508662057 eV
minimum distance =  2.34166923936602 Angstroms
sigma value = 17


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

Energy: 0.8940865833887671
Energy: 1.088732860250648
Energy: 0.0699645895049021
Energy: 1.088732860249003
Energy: 0.8026615618999333
Energy: 0.7993234337295321
Energy: 0.7831942436004921
Energy: 0.7993234337023883
Energy: 0.7528525227587216
Energy: 1.0843746538225159
Energy: 0.8224083524026442
Energy: 1.0843746538225159
Energy: 0.7881388197325118
Energy: 1.0715910907938213
Energy: 0.7393834352216467
Energy: 1.0715910907995791
Energy: 0.8449523094359389
Energy: 0.9809632507791226
Energy: 0.8048176181490416
Energy: 0.9809632507799451
Energy: 0.8442260668816778
Energy: 1.0727450844891229
Energy: 0.6281806020891345
Energy: 1.0727450844883002
Energy: 0.7907188898612565
Energy: 0.914692149402361
Energy: 0.7635160157368164
Energy: 0.9146921494048287
Energy: 0.7202560171722491
Energy: 1.1386599578128782
Energy: 0.8475629952774332
Energy: 1.1386599578128782
Energy: 0.8441911742838744
Energy: 1.0780206365465648
Energy: 0.7154710121878034
Energy: 1.0780206365465648
Energy: 0.7567726112425284
Energy: 0.9819937148070121
Energy: 0.7928825019774197
Energy: 0.9819937148020769
Energy: 0.8177464743353317
Energy: 1.0685947438736794
Energy: 0.712820508396371
Energy: 1.0685947438761472
Energy: 0.8685184612753957
Energy: 0.9424400367374733
Energy: 0.8664149689226107
Energy: 0.9424400367407635
Energy: 0.7748565523284566
Energy: 1.0684370472156455
Energy: 0.8927141798642059
Energy: 1.0684370472205809
Energy: 0.8202534476396192
Energy: 1.0922840150258504
Energy: 0.8042677738511861
Energy: 1.092284015026673
Energy: 0.7854310228069035
Energy: 0.9034494633659773
Energy: 0.8213037697511625
Energy: 0.9034494633619019
Energy: 0.747855528584975
Energy: 1.1166848485319802
Energy: 0.7543565197511931
Energy: 1.1166848485336252
Energy: 0.7830827646424019
Energy: 0.9462372099616259
Energy: 0.786284190351162
Energy: 0.9462372082202886
Energy: 0.6705097342330236
Energy: 1.0603376892999974
Energy: 0.843752315780384
Energy: 1.0603376892999974
Energy: 0.8634081996300926
Energy: 1.0202461711255069
Energy: 0.8826079281824392
Energy: 1.0202461711255069
Energy: 0.796933341222399
Energy: 1.0768181283495624
Energy: 0.7912036416689807
Energy: 1.0768181283503848
Energy: 0.7471306126302709
Energy: 1.04261561584457
Energy: 0.7887361037578828
Energy: 1.0426156158782938
Energy: 0.8207763427547476
Energy: 0.7312014458242836
Energy: 0.7554369199432228
Energy: 0.7312014458242836
Energy: 0.7691839167232832
Energy: 1.075291774523068
Energy: 0.8156292335771054
Energy: 1.0752917745255355
Energy: 0.8905584324289143
Energy: 0.934087697011125
Energy: 0.7720856823386087
Energy: 0.934087697007835
Energy: 0.887149088157527
Energy: 1.089269393254608
Energy: 0.7695272968230217
Energy: 1.089269393254608
Energy: 0.5901351825751106
Energy: 1.0768537141579722
Energy: 0.8164200972961423
Energy: 1.07685371416044
Energy: 0.78741576917209
Energy: 0.9349898428110719
Energy: 0.7962866794956948
Energy: 0.9349898427601124
Energy: 0.6873846348040403
Energy: 1.0435037371625489
Energy: 0.7870615393153543
Energy: 1.0435037371650164
Energy: 0.7774699058390078
Energy: 0.9305210403999044
Energy: 0.7915068855777402
Energy: 0.9305210404180002
Energy: 0.8473173314296929
Energy: 1.0603007409875813
Energy: 0.7220037474120429
Energy: 1.0603007409875813

minimum gb energy = 0.0699645895049021 eV
minimum distance =  2.24893536929826 Angstroms
sigma value = 53


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

Energy: 0.8965113465413206
Energy: 0.896878516263991
Energy: 0.4606158183811909
Energy: 0.8968785162658844
Energy: 0.8803990189926277
Energy: 0.8573291539958523
Energy: 0.6880433188051494
Energy: 0.8573291539958523
Energy: 0.8637682936289831
Energy: 1.0662868708927096
Energy: 0.7589004695306798
Energy: 1.066286870890816
Energy: 0.8653077646560913
Energy: 1.0662904921833642
Energy: 0.6808335034432306
Energy: 1.0662904921814709
Energy: 0.8804649829554931
Energy: 0.8572687143502622
Energy: 0.6878427438472251
Energy: 0.8572687143767728
Energy: 0.8965113465413206
Energy: 0.8968785162658844
Energy: -0.09121826017794718
Energy: 0.8968785162677781
Energy: 0.8803990189945213
Energy: 0.8573291540053203
Energy: 0.7777248136064062
Energy: 0.8573291540015332
Energy: 0.8637682936327703
Energy: 1.0662868708927096
Energy: 0.7589004695306798
Energy: 1.066286870890816
Energy: 0.8653077646560913
Energy: 1.0662904921833642
Energy: 0.6808335034470178
Energy: 1.0662904921833642
Energy: 0.8804649829535995
Energy: 0.8572687143691983
Energy: 0.777861215712436
Energy: 0.8572687143880915
Energy: 0.8965113465432143
Energy: 0.896878516263991
Energy: 0.6861977383163856
Energy: 0.8968785162658844
Energy: 0.880399018996415
Energy: 0.8573291539977459
Energy: 0.7777248136082997
Energy: 0.8573291539996395
Energy: 0.8637682936289831
Energy: 1.066286870890816
Energy: 0.8993053916581194
Energy: 1.066286870890816

minimum gb energy = -0.09121826017794718 eV
minimum distance =  2.28696988305028 Angstroms
sigma value = 9


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

Energy: 0.9660857509494463
Energy: 1.0920560409581073
Energy: -0.4148623560036828
Energy: 1.0920560408761708
Energy: 0.7931003742517492
Energy: 0.8111476866886727
Energy: 0.8326927204745699
Energy: 0.8111476866886727
Energy: 0.7322656527421374
Energy: 1.087769722318254
Energy: 0.7670705921494837
Energy: 1.087769722318254
Energy: 0.7070575133148025
Energy: 0.9357642239856263
Energy: 0.8245604936977382
Energy: 0.9357642239940366
Energy: 0.7426054194664004
Energy: 0.8669001023916615
Energy: 0.7706477033912618
Energy: 0.8669001023916615
Energy: 0.946831665767652
Energy: 0.8343713709969408
Energy: 0.6822152938745699
Energy: 0.834371370990633
Energy: 0.7851487212262142
Energy: 0.7805309740168687
Energy: 0.802260464845265
Energy: 0.7805309740168687
Energy: 0.8566386079520343
Energy: 0.9292487106786674
Energy: 0.719965547108182
Energy: 0.9292487106583427
Energy: 0.7601638965917
Energy: 0.9518620157008061
Energy: 0.9271024667016561
Energy: 0.9518626341241876
Energy: 0.7622516093533273
Energy: 0.8753492340401144
Energy: 0.7996548606539831
Energy: 0.8753492340408152
Energy: 0.8229447954332911
Energy: 1.0758792709269336
Energy: 0.6738013077528828
Energy: 1.075879270919925
Energy: 0.74935470284933
Energy: 1.1178284115973358
Energy: 0.7707818405078518
Energy: 1.1178284115973358
Energy: 0.7921690893342471
Energy: 1.0931381094666965
Energy: 0.7515713184647562
Energy: 1.0931381094477732
Energy: 0.7086292001435018
Energy: 0.9324829982762763
Energy: 0.9678723463775815
Energy: 0.932482998332982
Energy: 0.7952411927128222
Energy: 0.9951378255354367
Energy: 0.7376290842922908
Energy: 0.9951378255312315
Energy: 0.7952700502707651
Energy: 1.1025958275478311
Energy: 0.6877684972088761
Energy: 1.102595827540122
Energy: 0.7631181526350124
Energy: 0.9979225780556323
Energy: 0.796230657412914
Energy: 0.9979225780570341
Energy: 0.8228358449827092
Energy: 0.7957448461481939
Energy: 0.7186011777061587
Energy: 0.7957448461502964
Energy: 0.7582826731344366
Energy: 1.0305034781918352
Energy: 0.9473806982304752
Energy: 1.0305034781855278
Energy: 0.7752387983943514
Energy: 0.8677968371663267
Energy: 0.8015495736157001
Energy: 0.8677968371649248
Energy: 0.7103213749142767
Energy: 1.0869247343949637
Energy: 0.7105723655820058
Energy: 1.0869247343928614
Energy: 0.820078980025766
Energy: 0.866161123301715
Energy: 0.7638895225781299
Energy: 0.866161123301715
Energy: 0.8942429806475842
Energy: 0.9605650941482033
Energy: 0.7596930107896038
Energy: 0.9605650941510068
Energy: 0.39375524277554197
Energy: 1.0705287239963646
Energy: 0.8241230927734092
Energy: 1.0705287239991683
Energy: 0.8024962899993118
Energy: 0.8719039278223562
Energy: 0.7698383444018387
Energy: 0.8719039278174501
Energy: 0.7407412458651998
Energy: 1.0039742946703043
Energy: 0.787552510287774
Energy: 1.0039742949498187
Energy: 0.7936696005450117
Energy: 0.9536532358722889
Energy: 0.7050488638328776
Energy: 0.9536479040833796
Energy: 0.9608197591985794
Energy: 0.9374793715332683
Energy: 0.7060905619387382
Energy: 0.9374793715276616
Energy: 0.7339959443155781
Energy: 1.0229107353538092
Energy: 0.7895600184760152
Energy: 1.0229107356045883
Energy: 0.8061369589773812
Energy: 0.851452220330758
Energy: 0.7663049404781671
Energy: 0.8514522201745307
Energy: 0.7969804646070394
Energy: 1.0817672288746758
Energy: 0.8720265581005661
Energy: 1.081767228873274
Energy: 0.7843568255392313
Energy: 0.7959630622079764
Energy: 0.7569391115395533
Energy: 0.7959630622086774
Energy: 0.808889413952705
Energy: 0.8679778872195034
Energy: 0.7554915987307723
Energy: 0.8679778872209051
Energy: 0.7145907303516684
Energy: 1.0869120729643993
Energy: 0.7059387754409857
Energy: 1.0869120729665018
Energy: 0.7181759533511426
Energy: 0.831703376431925
Energy: 0.7785070566494838
Energy: 0.8317033764270191

minimum gb energy = -0.4148623560036828 eV
minimum distance =  2.29484265195384 Angstroms
sigma value = 73


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

Energy: 1.0000851890898614
Energy: 0.8263855584562305
Energy: 0.5756510687266716
Energy: 0.8263855584584545
Energy: 0.8992659588942732
Energy: 1.0015793372848352
Energy: 0.9018004196967
Energy: 1.0015793371347954
Energy: 0.8198593322791584
Energy: 0.9989373213414451
Energy: 0.8638913742949557
Energy: 0.9989373213347734
Energy: 0.7548560354558383
Energy: 0.9583199108921472
Energy: 0.8778156184146062
Energy: 0.958319910896595
Energy: 0.7179746809284093
Energy: 0.9034627968284769
Energy: 0.7628589443641695
Energy: 0.9034627968307007
Energy: 0.9036869774740011
Energy: 1.0000832088742455
Energy: 0.6175245472665412
Energy: 1.0000832088831413
Energy: 0.8305152201353885
Energy: 0.7604701153585188
Energy: 0.8432080677872601
Energy: 0.7604701153574067
Energy: 0.8540328799337711
Energy: 1.0123179994694467
Energy: 0.6897161038521686
Energy: 1.012317999500582
Energy: 0.7817272617923814
Energy: 0.7893572533998469
Energy: 0.9726739627831097
Energy: 0.7893572533987351
Energy: 0.805781226212487
Energy: 0.8672747447189348
Energy: 0.818642060195097
Energy: 0.867274744720047
Energy: 0.807349534122472
Energy: 0.9354667080161906
Energy: 0.7179079421295204
Energy: 0.9354667078528073
Energy: 0.806215792585012
Energy: 0.9547438677776711
Energy: 0.7536574574240199
Energy: 0.9547438670685652
Energy: 0.9037148460696158
Energy: 0.7869553082777082
Energy: 0.7234415417429018
Energy: 0.7869553082788202
Energy: 0.24096050725255336
Energy: 0.9798413836111612
Energy: 0.9043098125655353
Energy: 0.9798413836133851
Energy: 0.8462367994216995
Energy: 0.8994116783390933
Energy: 0.8107883141386698
Energy: 0.8994116783335334
Energy: 0.709513263592129
Energy: 1.0124509241418274
Energy: 0.8539904992985291
Energy: 1.012450924525279
Energy: 0.8867836593379207
Energy: 1.0080637343621044
Energy: 0.8203101433593587
Energy: 1.0080637343609924
Energy: 0.8899617200183259
Energy: 0.9579351285976485
Energy: 0.8071650599943387
Energy: 0.9579351286109667
Energy: 0.7148579238618155
Energy: 1.0118368727798466
Energy: 0.8537798089502658
Energy: 1.0118368728232132
Energy: 0.8988480551080988
Energy: 1.0150204972389059
Energy: 0.84061264379841
Energy: 1.0150204975490182
Energy: 0.718072812210811
Energy: 1.015074632784805
Energy: 0.9032670642370232
Energy: 1.0150746327836933
Energy: 0.8539858454036823
Energy: 0.842400929439242
Energy: 0.7527257240046488
Energy: 0.8424009294347942

minimum gb energy = 0.24096050725255336 eV
minimum distance =  2.26715908238786 Angstroms
sigma value = 7


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

Energy: 0.9906939714457591
Energy: 0.7291093191342901
Energy: 0.019979602284114873
Energy: 0.7291093191319314
Energy: 0.7625357842962988
Energy: 1.0189294669869
Energy: 0.8257447916118802
Energy: 1.0189294669915823
Energy: 0.7912849156145879
Energy: 1.0509850590199592
Energy: 0.7007304177579201
Energy: 1.05098505790473
Energy: 0.40692804456586584
Energy: 0.7646631412028726
Energy: 0.9187958675757222
Energy: 0.7646631412036589
Energy: 0.7912756056670555
Energy: 0.7560992478621386
Energy: 0.728753657706121
Energy: 0.7560992478699655
Energy: 0.8767062796063387
Energy: 0.9384026203531813
Energy: 0.670001168333996
Energy: 0.9384026201983559
Energy: 0.8074569173299281
Energy: 1.0732131175346669
Energy: 0.7271024702716081
Energy: 1.0732131175385984
Energy: 0.876766193702489
Energy: 0.7147845821721057
Energy: 0.6786632660388381
Energy: 0.7147845821768234
Energy: 0.7881489972186451
Energy: 0.9192330229968634
Energy: 0.8995401047042284
Energy: 0.91923302301023
Energy: 0.7923666255458333
Energy: 0.7858847356600146
Energy: 0.7571840713567063
Energy: 0.7858847356521519
Energy: 0.6728805072683766
Energy: 0.7541886021274151
Energy: 0.7230406441407206
Energy: 0.7541886020818468
Energy: 0.7480979140196953
Energy: 0.8846066272812833
Energy: 0.7122475126410741
Energy: 0.8846066272757793
Energy: 0.8640912544780229
Energy: 0.9406072079834592
Energy: 0.716191340191952
Energy: 0.9406072115814718
Energy: 0.7063879486426206
Energy: 1.056718847989436
Energy: 0.7227934373969832
Energy: 1.0567188479925456
Energy: 0.7089299066258229
Energy: 0.7801489862103718
Energy: 0.8254414628612404
Energy: 0.7801489862056542
Energy: 0.09632701042894412
Energy: 0.9704458790949981
Energy: 0.8972833528725904
Energy: 0.9704458790887077
Energy: 0.7087838624461205
Energy: 0.7611051049531388
Energy: 0.7494938388228611
Energy: 0.7611051049562838
Energy: 0.7374089773787217
Energy: 0.8750815742008567
Energy: 0.7117487130504047
Energy: 0.8750815741922078
Energy: 0.7922478062414573
Energy: 0.9396861381267941
Energy: 0.7107146186005056
Energy: 0.9396861381983098
Energy: 0.7917553076029504
Energy: 0.7556433360105941
Energy: 0.7101421870918592
Energy: 0.7556433360145254
Energy: 0.31609987933433237
Energy: 0.9307166234858166
Energy: 0.8993123191016484
Energy: 0.9307166241483281
Energy: 0.793164682349638
Energy: 0.928652469532638
Energy: 0.7433509517379853
Energy: 0.9286524723863302
Energy: 0.7553339166017069
Energy: 1.0245532404575126
Energy: 0.7706986465707591
Energy: 1.024553240584032
Energy: 0.9916339609511498
Energy: 0.7147813526927884
Energy: 0.49542366138237576
Energy: 0.714781352692002
Energy: 0.8545013732223717
Energy: 0.8255123406274344
Energy: 0.7136504676399649
Energy: 0.8255123406313658
Energy: 0.6941842276331204
Energy: 0.7561008493294086
Energy: 0.7276008142467209
Energy: 0.7561008495785517
Energy: 0.7908961557340988
Energy: 0.7618432381263389
Energy: 0.7221610638418285
Energy: 0.7618432381436371
Energy: 0.401315209783285
Energy: 0.757863837777479
Energy: 0.918948866181557
Energy: 0.7578638377861281
Energy: 0.8757594329359493
Energy: 1.074006844495251
Energy: 0.5667250264468375
Energy: 1.0740068444991824
Energy: 0.8705612317150759
Energy: 1.2378340474520213
Energy: 0.9034522364024182
Energy: 1.2378340474622431
Energy: 0.8756088531605155
Energy: 1.0732897499654577
Energy: 0.8774834786676858
Energy: 1.0732897499568086

minimum gb energy = 0.019979602284114873 eV
minimum distance =  2.22751297922869 Angstroms
sigma value = 29


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

Energy: 0.7717134932801869
Energy: 0.5436475911824323
Energy: 0.34621615790725985
Energy: 0.5436475911827062
Energy: 0.6973223105282911
Energy: 0.7993842974087226
Energy: 0.8987771120145178
Energy: 0.7993813169432745
Energy: 0.6418119404926613
Energy: 0.9168072317744549
Energy: 0.698770293672058
Energy: 0.9168072317749721
Energy: 0.8996213611131099
Energy: 1.142979971193447
Energy: 0.8991106387699465
Energy: 1.142979971193447
Energy: 0.9002663289955254
Energy: 0.8596513464952189
Energy: 0.9047036002271897
Energy: 0.8596513464954927
Energy: 0.6411125142759811
Energy: 1.0483319314181854
Energy: 0.6413092420037358
Energy: 1.0483319314184592
Energy: 0.8319927224261631
Energy: 0.8599196725801814
Energy: 0.9004212631744148
Energy: 0.8599196725801814
Energy: 0.8988080475945235
Energy: 1.1429638447220203
Energy: 0.8996542793154994
Energy: 1.1429638447222636
Energy: 0.69878663705671
Energy: 0.9168033649251982
Energy: 0.641991208509556
Energy: 0.9168033649241332

minimum gb energy = 0.34621615790725985 eV
minimum distance =  2.33118659630969 Angstroms
sigma value = 5


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

Energy: 0.7747232549950605
Energy: 0.6239532249690465
Energy: 0.4250171050303749
Energy: 0.6239532249668183
Energy: 0.6999786183503873
Energy: 1.0635383251736965
Energy: 0.6015451775017544
Energy: 1.0635383251796047
Energy: 0.6265002269541007
Energy: 0.56466700390257
Energy: 0.7263583328277214
Energy: 0.5646670038906861
Energy: 0.5761797768806514
Energy: 0.8480559485947065
Energy: 0.6400533781065572
Energy: 0.8480559484091239
Energy: 0.6531589927421136
Energy: 0.6712229981943703
Energy: 0.8176912495327248
Energy: 0.671222998214424
Energy: 0.5595201848171054
Energy: 0.6299798594703939
Energy: 0.5985960207965831
Energy: 0.6299798594644521
Energy: 0.6208746153750451
Energy: 0.7196067229989511
Energy: 0.612110329980349
Energy: 0.719606722999694
Energy: 0.6171507382453572
Energy: 0.8595421769421254
Energy: 0.6101217957250891
Energy: 0.8595419422046701
Energy: 0.6820304641753492
Energy: 0.8501165864938458
Energy: 0.5991967498247361
Energy: 0.8501165864923604
Energy: 0.6400480216911151
Energy: 0.7068507449468487
Energy: 0.37199927856094883
Energy: 0.706850744949077
Energy: 0.5203098172269645
Energy: 0.8266576299878693
Energy: 0.6261583508105356
Energy: 0.826848637754788
Energy: 0.6222086203060337
Energy: 0.852982092565717
Energy: 0.6361583432254722
Energy: 0.8529820925323276
Energy: 0.5608064001769969
Energy: 0.6252472513452071
Energy: 0.7748543832376361
Energy: 0.6252472513407508
Energy: 0.6460302127426023
Energy: 0.7808315907560227
Energy: 0.7326749749572034
Energy: 0.780831591235627
Energy: 0.7217894559866851
Energy: 0.8361556654194554
Energy: 0.6235288365508894
Energy: 0.8361556655404537
Energy: 0.638394992978093
Energy: 0.6068608260379404
Energy: 0.2689031162244326
Energy: 0.606860826028285
Energy: 0.7078925225018604
Energy: 0.8333821514211793
Energy: 0.6331607038027138
Energy: 0.8333822411816993
Energy: 0.6526498749858006
Energy: 0.627152669397742
Energy: 0.4466008253823851
Energy: 0.627152669211383
Energy: 0.6094130032705167
Energy: 0.6771539110918608
Energy: 0.6021841539322365
Energy: 0.6771539110918608
Energy: 0.6207118531891114
Energy: 0.8343903369971001
Energy: 0.6218177510784181
Energy: 0.8343950002939723
Energy: 0.58049703843271
Energy: 0.8706926532872629
Energy: 0.6385915170545492
Energy: 0.8706926476034147
Energy: 0.6765623868489237
Energy: 0.6990828783988431
Energy: 0.6476560482884608
Energy: 0.699082878407756
Energy: 0.6092931623617165
Energy: 0.8809795828380039
Energy: 0.5805099051946719
Energy: 0.8809795828387467
Energy: 0.6297186636893385
Energy: 0.9577845292196587
Energy: 0.6208572438560978
Energy: 0.9577845049482224
Energy: 0.7094874687730367
Energy: 0.6608842780071843
Energy: 0.6364821822323349
Energy: 0.6608842780027279
Energy: 0.6926648446309961
Energy: 0.8062523963947349
Energy: 0.6528300644237707
Energy: 0.806252396393992
Energy: 0.5999232401958776
Energy: 0.8348434400759839
Energy: 0.6189096873164586
Energy: 0.8348434400819258
Energy: 0.18900151718460872
Energy: 1.0472586601273155
Energy: 0.710198190372093
Energy: 1.0472586602765377
Energy: 0.620564503683293
Energy: 1.00040323917168
Energy: 0.8247873975296292
Energy: 1.0004032391642863
Energy: 0.5110652824860283
Energy: 0.8488699193917321
Energy: 0.6460960199465823
Energy: 0.8488699234563838
Energy: 0.5778401527440327
Energy: 0.6029481671945249
Energy: 0.5075109762756296
Energy: 0.6029481671967531
Energy: 0.7690033841211995
Energy: 0.7799270429663573
Energy: 0.621503486801933
Energy: 0.7799270428483298
Energy: 0.7060752563194519
Energy: 0.8603436586788351
Energy: 0.5203218742826147
Energy: 0.8602695949337438

minimum gb energy = 0.18900151718460872 eV
minimum distance =  2.18590252176043 Angstroms
sigma value = 1


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

Energy: 0.7639404232608854
Energy: 0.6179914882472375
Energy: 0.3362013835230863
Energy: 0.6179914882646957
Energy: 0.7551256653238018
Energy: 1.1776316933738338
Energy: 0.6265264569590877
Energy: 1.1776316933769146
Energy: 0.5900529329953123
Energy: 0.6149803939183003
Energy: 0.6780515252126142
Energy: 0.6149803938957072
Energy: 0.5601449553537617
Energy: 0.8702970850522005
Energy: 0.6561578390237025
Energy: 0.8702970795450171
Energy: 0.5032222354044054
Energy: 0.9798104634357387
Energy: 0.8524691930331303
Energy: 0.9798104634357387
Energy: 0.5175347200278847
Energy: 1.1408422940475884
Energy: 0.6475802725775991
Energy: 1.1408422939931597
Energy: 0.5173910525078192
Energy: 0.698236651285542
Energy: 0.5678138048068719
Energy: 0.6982366512999193
Energy: 0.5139759147505769
Energy: 0.9276523012879361
Energy: 0.5542475736325533
Energy: 0.9276523013772343
Energy: 0.7304084954080118
Energy: 0.9223707045321412
Energy: 0.5580368448744588
Energy: 0.9223706997887321
Energy: 0.7282695656781315
Energy: 0.9202096733189886
Energy: 0.563281612024757
Energy: 0.9202096732759033
Energy: 0.5511094160024883
Energy: 0.927260335028485
Energy: 0.5379213424789057
Energy: 0.9272603392422192
Energy: 0.5157539611742582
Energy: 0.7442583256434316
Energy: 0.5756368627599258
Energy: 0.7442583256547283
Energy: 0.5131646569230643
Energy: 1.1360919312578506
Energy: 0.635732921974628
Energy: 1.1360919312547695
Energy: 0.5125327989881863
Energy: 0.9795308305784667
Energy: 0.6767023224627653
Energy: 0.9795308305815477
Energy: 0.5773662161533971
Energy: 0.8660914773538888
Energy: 0.6488607271749216
Energy: 0.8660914773487541
Energy: 0.589943274307522
Energy: 0.6160071278613254
Energy: 0.45614485655188197
Energy: 0.616007127902357
Energy: 0.7642804122785891
Energy: 1.1781386438888457
Energy: 0.6256426774461146
Energy: 1.1781386438919266
Energy: 0.7639404232619124
Energy: 0.6179914882893426
Energy: 0.2764334857860107
Energy: 0.6179914882862618
Energy: 0.7551256061892897
Energy: 1.1776316933717796
Energy: 0.6265264569601148
Energy: 1.1776316933748605
Energy: 0.590052932996339
Energy: 0.6149803939901403
Energy: 0.7674875393374253
Energy: 0.6149803940086256
Energy: 0.5601449553527348
Energy: 0.8702971190015879
Energy: 0.6561578390237025
Energy: 0.8702971150495404
Energy: 0.5032222354044054
Energy: 0.9798104634367657
Energy: 0.8524691930331303
Energy: 0.9798104634367657
Energy: 0.5175347200268579
Energy: 1.14084229395829
Energy: 0.6475802725919765
Energy: 1.140842294003429
Energy: 0.5173910525170617
Energy: 0.6982366513019733
Energy: 0.5678138048058451
Energy: 0.6982366513081351

minimum gb energy = 0.2764334857860107 eV
minimum distance =  2.26172846575199 Angstroms
sigma value = 17


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

Energy: 0.6411164002376486
Energy: 0.42590426308958573
Energy: -0.1158022817143905
Energy: 0.42590426231491485
Energy: 0.6056110378733554
Energy: 0.8610874313214971
Energy: 0.324678505520777
Energy: 0.8610874209259037
Energy: 0.5484533285982145
Energy: 0.2970069192263418
Energy: 0.4090072579635415
Energy: 0.2970069180183745
Energy: 0.07897218239803352
Energy: 0.8134106893533553
Energy: 0.2560991638294216
Energy: 0.8134106893457385
Energy: 0.2769488572914696
Energy: 0.7788421762633152
Energy: 0.5312306938487976
Energy: 0.7788421848335704
Energy: 0.037329743113014555
Energy: 0.9471166818601047
Energy: 0.5213167442295367
Energy: 0.9471166818601047
Energy: 0.4772243509606181
Energy: 0.5925299373348364
Energy: 0.50219723627956
Energy: 0.5925282329900351
Energy: 0.14999317281235897
Energy: 0.6282449975336986
Energy: 0.17255708265509337
Energy: 0.6282450556100704
Energy: 0.24443433942421225
Energy: 0.7450973809646046
Energy: 0.1746142530246532
Energy: 0.7450973809474667
Energy: 0.2934947244373219
Energy: 0.8490052466972655
Energy: 0.3329712655142418
Energy: 0.8490052464827812
Energy: 0.6113800334959428
Energy: 0.901828864958619
Energy: 0.2868825800227157
Energy: 0.9018288649598885
Energy: 0.41062977238047327
Energy: 0.5546621798598977
Energy: 0.28077415009005174
Energy: 0.5546622076643805
Energy: 0.03780356719105878
Energy: 0.9466995977294698
Energy: 0.3956632233601007
Energy: 0.9466995976489156
Energy: 0.4575667009957024
Energy: 0.7617616600172342
Energy: 0.5791849489011087
Energy: 0.7617616630905283
Energy: 0.21019693335727552
Energy: 0.9152838829518889
Energy: 0.6316127818975673
Energy: 0.915283874917758
Energy: 0.4756724431908268
Energy: 0.6711383161620569
Energy: 0.5233573008701287
Energy: 0.6711384975269159
Energy: 0.2890504560377969
Energy: 0.6666578802472749
Energy: 0.40233604668443534
Energy: 0.6666576576438988
Energy: 0.39647977280457913
Energy: 0.4486312712653684
Energy: 0.15374963460175417
Energy: 0.44863127095578853
Energy: 0.7934103719546376
Energy: 1.1048746504346316
Energy: 0.3573260489699219
Energy: 1.1048746504359013
Energy: 0.5787386470366747
Energy: 0.2990077004388144
Energy: -0.017664802163830626
Energy: 0.29900769921238196
Energy: 0.4810302248236427
Energy: 0.861630965397322
Energy: 0.35101345938428297
Energy: 0.8616309653960526
Energy: 0.3377187878015589
Energy: 0.894354334803802
Energy: 0.8698372588511899
Energy: 0.8943549564582578
Energy: 0.1700725752756675
Energy: 0.8246301032555319
Energy: 0.42574529602760836
Energy: 0.8246301024446807
Energy: 0.3343907351569432
Energy: 0.7624433328946949
Energy: 0.7152088558149955
Energy: 0.7624428725035274
Energy: 0.0444308461486692
Energy: 0.5468459562157154
Energy: 0.3435550483489698
Energy: 0.5468459560780347
Energy: 0.412242498803933
Energy: 0.5761854601462266
Energy: 0.20038779027021106
Energy: 0.5761854596107371
Energy: 0.628269909601298
Energy: 0.9754336567137379
Energy: 0.47113113878152096
Energy: 0.9754336560653225
Energy: 0.6366897209012045
Energy: 0.6667460123830092
Energy: 0.2109423921718458
Energy: 0.6667460036763427
Energy: 0.5804557052827637
Energy: 0.8588493782578943
Energy: 0.36516090149467395
Energy: 0.8588493782617027
Energy: 0.57012595443332
Energy: 0.9430286515242938
Energy: 0.1567671902796705
Energy: 0.9430286515801508
Energy: 0.3067672502485134
Energy: 0.5998320432981036
Energy: 0.36806576404532704
Energy: 0.5998320412272368
Energy: 0.11443797044166282
Energy: 0.9206799087773999
Energy: 0.2741176616144817
Energy: 0.9206799089131765
Energy: 0.33428980702822714
Energy: 0.8351061551276285
Energy: 0.4172515965025405
Energy: 0.8351086936969316
Energy: 0.15551827188058825
Energy: 0.8065128872489156
Energy: 0.3530577626355686
Energy: 0.8065128872476461
Energy: 0.12397055887578415
Energy: 0.5699845357539578
Energy: 0.5126591274581092
Energy: 0.5699845357539578
Energy: 0.5034481894839775
Energy: 0.5825203639263187
Energy: 0.3170057770085818
Energy: 0.582518588269727
Energy: 0.4261351959976919
Energy: 0.9535028194610007
Energy: 0.043496030246739786
Energy: 0.9535028194610007
Energy: 0.6355798355612453
Energy: 0.9314170175873041
Energy: 0.3196046272580347
Energy: 0.9314170176653194

minimum gb energy = -0.1158022817143905 eV
minimum distance =  2.19444942246175 Angstroms
sigma value = 89


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

Energy: 0.5991563959811489
Energy: 0.5973977971360156
Energy: 0.2913324390969778
Energy: 0.5973977971360156
Energy: 0.4868847736791959
Energy: 0.6085362285819207
Energy: 0.46793652652258877
Energy: 0.6085362285802599
Energy: 0.4764720050083098
Energy: 1.0096132775068978
Energy: 0.6222648770054591
Energy: 1.0096132775118802
Energy: 0.23999253720701344
Energy: 0.5785151830417914
Energy: 0.47798798541234216
Energy: 0.5785151830417914
Energy: 0.5407313272075062
Energy: 0.9534465702191469
Energy: 0.4911710001913024
Energy: 0.9534465702174861
Energy: 0.48327341848331873
Energy: 0.5064568652200185
Energy: 0.47767436077310055
Energy: 0.506456865208393
Energy: 0.4765220923745184
Energy: 0.7010532594379867
Energy: 0.4858810693146903
Energy: 0.7010532594379867
Energy: 0.10782998398285916
Energy: 0.6570397181615982
Energy: 0.48744264896251344
Energy: 0.6570394570012121
Energy: 0.5414337852281584
Energy: 0.5977258448007184
Energy: 0.386389201993988
Energy: 0.5977258448007184
Energy: 0.5877609677097575
Energy: 0.4958188999649358
Energy: 0.47816387302662783
Energy: 0.4958189010605772
Energy: 0.47408412494709384
Energy: 0.6121144770637257
Energy: 0.48242981172556887
Energy: 0.6121144770637257
Energy: 0.4772204711195039
Energy: 0.6970602314051353
Energy: 0.469006131956688
Energy: 0.6970602314051353
Energy: 0.5410269771486618
Energy: 0.9366224526547231
Energy: 0.06027848581156995
Energy: 0.936622452410698
Energy: 0.47834395872443114
Energy: 0.5659080284809161
Energy: 0.4789608096434326
Energy: 0.5659080284809161
Energy: 0.29199896400607833
Energy: 0.9306819527748917
Energy: 0.532503871486765
Energy: 0.9306819527748917

minimum gb energy = 0.06027848581156995 eV
minimum distance =  2.20261768724035 Angstroms
sigma value = 13


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

Energy: 0.5481393777215277
Energy: 0.9007630086769062
Energy: -0.7166583253807122
Energy: 0.9007630086707045
Energy: 0.4501238824434663
Energy: 0.9272814242329638
Energy: -0.05151606316203308
Energy: 0.9272814242301793
Energy: 0.4902422850358953
Energy: 0.6454069573322612
Energy: -0.1874019954634988
Energy: 0.6454069581373384
Energy: -0.1539973967757083
Energy: 0.9277381727054197
Energy: -0.22984400248906614
Energy: 0.9277381727068118
Energy: 0.21398040311829644
Energy: 0.5960634503263622
Energy: 0.16379829964284753
Energy: 0.5960638411243587
Energy: -0.18999517745327718
Energy: 0.7448545173609975
Energy: 0.4981299535086261
Energy: 0.7448545174465551
Energy: 0.19596059908466285
Energy: 1.0326443875794473
Energy: 0.4343124152553845
Energy: 1.0326443875864082
Energy: -0.3575821919177994
Energy: 0.9041403773571715
Energy: -0.07974947065100213
Energy: 0.9041403773460337
Energy: 0.09888563972462669
Energy: 0.88740989849434
Energy: 0.1765999640793813
Energy: 0.8874098984783297
Energy: -0.05512540801631551
Energy: 0.7337408978307529
Energy: -0.18426862855800236
Energy: 0.7337408468999104
Energy: 0.1477953785999735
Energy: 0.7411777810825513
Energy: -0.1729229540505986
Energy: 0.7411777810853357
Energy: 0.2342818331112106
Energy: 0.7620522013053566
Energy: -0.224468251948833
Energy: 0.7620522016073397
Energy: 0.41398607253047115
Energy: 0.9075946726728009
Energy: -0.30573932915033286
Energy: 0.9075946726651437
Energy: 0.3370699908013733
Energy: 0.7575494629351728
Energy: -0.044569084797381066
Energy: 0.7575494635196479
Energy: 0.11753023583671761
Energy: 0.8591962770669247
Energy: -0.3136335740667571
Energy: 0.859196277034904
Energy: -0.14304516460654162
Energy: 0.7588146867306114
Energy: -0.19317923749785018
Energy: 0.7588146867097282
Energy: 0.05769380129672727
Energy: 0.9951906652519372
Energy: -0.15809008608069577
Energy: 0.9951906652289656
Energy: -0.184796244176573
Energy: 0.9050999744464877
Energy: 0.3221527985248812
Energy: 0.9050999744409188
Energy: 0.09394047145563181
Energy: 0.8833597452045028
Energy: -0.05926822290821065
Energy: 0.8833597452038066
Energy: 0.08625091707332369
Energy: 0.8886517086834201
Energy: 0.32111991515106025
Energy: 0.8886517086764592
Energy: -0.11835415931643053
Energy: 0.9057281458886174
Energy: 0.31954093838504904
Energy: 0.9057281458907056
Energy: 0.07007566423234662
Energy: 1.0065391608646062
Energy: -0.0877402454064064
Energy: 1.0065391608611256
Energy: -0.133510869448758
Energy: 0.746123229242352
Energy: -0.08367411674898281
Energy: 0.7461232292284298
Energy: -0.08169060408827476
Energy: 0.880537532983238
Energy: -0.2528432770283993
Energy: 0.880537532990199
Energy: 0.6071726395070703
Energy: 0.7538941046395343
Energy: -0.06732994703125394
Energy: 0.7538941046318771
Energy: 0.41453624169520514
Energy: 0.9007365835699189
Energy: -0.3878613581001456
Energy: 0.9007365835810566
Energy: 0.23282180293658714
Energy: 0.7485629724735461
Energy: -0.23685507660014896
Energy: 0.7485629723441338
Energy: 0.11924355072339675
Energy: 0.7392195335289282
Energy: -0.38359764787000705
Energy: 0.7392195335310165
Energy: -0.06273752991276672
Energy: 0.7415996491991955
Energy: -0.21744857286039923
Energy: 0.7416054766117662
Energy: 0.016143843739134637
Energy: 0.8720856598536899
Energy: 0.1736342511243882
Energy: 0.8720856598341991
Energy: -0.29101688352246596
Energy: 0.7106934559225732
Energy: 0.37710050089017366
Energy: 0.710692628660823
Energy: 0.13927246187901904
Energy: 1.0266802524001295
Energy: 0.8052385177325558
Energy: 1.0266802525246692
Energy: -0.27969706304227326
Energy: 0.7395651836193966
Energy: 0.4978487212123391
Energy: 0.7395651836542019
Energy: 0.12626710930939106
Energy: 0.5847991407012973
Energy: 0.06892084781477373
Energy: 0.5847958128614227
Energy: -0.15050720187136177
Energy: 0.9213732619843841
Energy: -0.2007213867731756
Energy: 0.9213732619941296

minimum gb energy = -0.7166583253807122 eV
minimum distance =  2.20239566312146 Angstroms
sigma value = 37


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

Energy: 0.6527556630614793
Energy: 0.659076730140989
Energy: -0.17224865328682065
Energy: 0.659076730140989
Energy: 0.7397225851649881
Energy: 0.761821954492371
Energy: 0.38253133540027695
Energy: 0.7618219544935687
Energy: 0.4341895020751694
Energy: 1.0350159344263627
Energy: 0.25883393154334644
Energy: 1.0350159344263627
Energy: 0.41568936215164126
Energy: 0.6579115295930965
Energy: 0.27980875056902
Energy: 0.6579115289454812
Energy: 0.2784238660509834
Energy: 0.7676425934216647
Energy: 0.28771325110991314
Energy: 0.7676425934121109
Energy: -0.04120822502340926
Energy: 0.9293329021874582
Energy: 0.2908468946782983
Energy: 0.9293329021886558
Energy: 0.3193068753475709
Energy: 1.1321231874295425
Energy: 0.7708049444338967
Energy: 1.1321231874271471
Energy: 0.1876898604540716
Energy: 0.4468592499514284
Energy: 0.4453209630899918
Energy: 0.44685924995382365
Energy: 0.2580398729429471
Energy: 0.760721873794671
Energy: 0.6271253871801767
Energy: 0.760721873794671
Energy: 0.26948296363368646
Energy: 0.7617399212740609
Energy: 0.31667141597874576
Energy: 0.7617399212716657
Energy: 0.35022025349185787
Energy: 1.0311745754663915
Energy: 0.32414886013479044
Energy: 1.0311745754663915
Energy: 0.6419950054888475
Energy: 0.7610624358575877
Energy: 0.28123645688510435
Energy: 0.7610624357965361
Energy: 0.4278054693325944
Energy: 0.9071643876977525
Energy: 0.027313990309937006
Energy: 0.9071643873278501
Energy: 0.7871074211813007
Energy: 1.1289815245526795
Energy: 0.251753531405067
Energy: 1.1289815245526795
Energy: 0.6523007476970428
Energy: 0.6915360949969609
Energy: 0.20220136913887032
Energy: 0.6915360971170011
Energy: 0.6117512505681137
Energy: 0.7247195918254535
Energy: 0.25703463510606595
Energy: 0.7247195918254535
Energy: 0.4392373731612303
Energy: 0.7579039203348051
Energy: -0.010244648881993026
Energy: 0.7579039203360028
Energy: 0.3088482845761997
Energy: 1.0324662923495391
Energy: 0.2967899919629252
Energy: 1.032466292356725
Energy: 0.2981679499422163
Energy: 0.43567365507856737
Energy: 0.2582406476865436
Energy: 0.43567365507976497
Energy: 0.25948757342967965
Energy: 0.9838827335904805
Energy: 0.4000887199197236
Energy: 0.9838827335880852

minimum gb energy = -0.17224865328682065 eV
minimum distance =  2.19863824946695 Angstroms
sigma value = 25


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

Energy: 0.3754843396314088
Energy: 0.8529203693144438
Energy: -0.8162685801649261
Energy: 0.8529203693153788
Energy: 0.2532960458106355
Energy: 0.8532244176144874
Energy: 0.30146863436070476
Energy: 0.8532244176472188
Energy: 0.3166199530075126
Energy: 0.2692827289599407
Energy: -0.30257230607395114
Energy: 0.2692827289590055
Energy: -0.026986339463876526
Energy: 0.8305017736634647
Energy: 0.302552718589102
Energy: 0.8305017736634647
Energy: 0.3143006667963965
Energy: 0.8483429776039586
Energy: -0.07639379918027409
Energy: 0.8483429776039586
Energy: -0.40419133721911626
Energy: 0.8594388010875742
Energy: 0.30268285979376836
Energy: 0.859438801086639
Energy: 0.30492876907199773
Energy: 0.5947999220157381
Energy: -0.07973978450164629
Energy: 0.5947999219952064
Energy: -0.5666445626175888
Energy: 0.6456000698120302
Energy: 0.3074298416161793
Energy: 0.6456000698671638
Energy: 0.3093530951164
Energy: 0.8490638491882251
Energy: 0.17923938537670792
Energy: 0.84906384918729
Energy: -0.4046063405198369
Energy: 0.8458154371782483
Energy: 0.3769878357824962
Energy: 0.8458154371782483
Energy: 0.31080923038498154
Energy: 0.5969670031079876
Energy: 0.25345836378104436
Energy: 0.5969670030145113
Energy: -0.344702431532938
Energy: 0.8554327183149425
Energy: 0.31255501456457896
Energy: 0.8554327183504798
Energy: 0.30417017117860085
Energy: 0.842224873595027
Energy: -0.021391195357669902
Energy: 0.8422248735968973
Energy: -0.09086599284004687
Energy: 0.8093708157455288
Energy: 0.300430320007945
Energy: 0.8093708157455288
Energy: 0.3059107623584232
Energy: 0.6173260609914883
Energy: -0.40612721119307105
Energy: 0.6173260609933588
Energy: -0.08816050877670333
Energy: 0.8842187987929111
Energy: 0.2751025397627
Energy: 0.8842187987947814
Energy: 0.27225698036318524
Energy: 0.63762839226436
Energy: -0.5096471165341249
Energy: 0.6376283924158178
Energy: 0.2250838320642918
Energy: 0.8412092872066235
Energy: 0.30125864193647045
Energy: 0.8412092871916604
Energy: 0.37027509842679945
Energy: 0.8206433892097081
Energy: -0.4099816066383348
Energy: 0.8206433892059674
Energy: 0.3237797475407144
Energy: 0.8508170396632266
Energy: 0.2732241928132659
Energy: 0.8508170575070728
Energy: 0.27581413505686514
Energy: 0.8539885053919172
Energy: -0.046089021627774326
Energy: 0.8539885040570219
Energy: -0.08872376277871964
Energy: 0.8488036940471637
Energy: 0.30028398500519493
Energy: 0.8488036940434229
Energy: 0.2955139325982273
Energy: 0.7941653761275885
Energy: -0.038852130263860654
Energy: 0.7941653761341348
Energy: -0.4069829641696195
Energy: 0.8612876154652296
Energy: 0.25844612971779607
Energy: 0.8612876154652296
Energy: 0.2815534367388861
Energy: 0.8591714632909248
Energy: 0.348420952975428
Energy: 0.8591714632105412
Energy: 0.023286095918301147
Energy: 0.6283396318283119
Energy: 0.26819593494892324
Energy: 0.6283396318526266

minimum gb energy = -0.8162685801649261 eV
minimum distance =  2.22230404601263 Angstroms
sigma value = 41


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

Energy: 0.63434980955524
Energy: 0.6858979043552645
Energy: -1.6726116787650018
Energy: 0.6858979043575645
Energy: -0.04182481480062275
Energy: 0.7008730065170068
Energy: -0.2935936071435645
Energy: 0.7008730065185402
Energy: 0.24383284344219663
Energy: 0.6205211007345908
Energy: -0.7097595724965621
Energy: 0.6205211008518611
Energy: -0.28901306337671434
Energy: 0.6371955523331522
Energy: -0.411334513028399
Energy: 0.6371955523760526
Energy: -0.16424468921423574
Energy: 0.7023361863723545
Energy: -0.5912302545639229
Energy: 0.702336186378488
Energy: -0.5468113648291585
Energy: 0.6300507418466217
Energy: -0.32478672916659085
Energy: 0.6300507418443215
Energy: -0.35167477103184963
Energy: 0.6980257633857355
Energy: -0.023809661303777895
Energy: 0.6980257633842021
Energy: -0.3336281368357498
Energy: 0.5317761541970368
Energy: -0.25045156714788414
Energy: 0.531776154186303
Energy: 0.1829412349004815
Energy: 0.6700069723878915
Energy: -0.025595837890405877
Energy: 0.670006972399392
Energy: -0.4106741426821539
Energy: 0.618288214806167
Energy: 0.25176228341822837
Energy: 0.6182882148268679
Energy: -0.38973942933270683
Energy: 0.7105160848918172
Energy: -0.08774326542867805
Energy: 0.7105160848879837
Energy: -0.4121219596882709
Energy: 0.7130377081731868
Energy: 0.636745176563709
Energy: 0.7130377082444551
Energy: 0.1821584306484704
Energy: 0.6553456415017489
Energy: -0.022968075863024018
Energy: 0.6553456417569556
Energy: -0.49835502859169717
Energy: 0.7603652051206011
Energy: 0.25039433512734355
Energy: 0.7603652051282681
Energy: -0.1256127755310256
Energy: 0.6972554665140837
Energy: -0.26158104044009783
Energy: 0.6972554665163837
Energy: -0.11691867788918117
Energy: 0.6759784827915443
Energy: -0.24162067233507156
Energy: 0.675978482887347
Energy: 0.17210664707449075
Energy: 0.6619310598319859
Energy: -0.5287484446238404
Energy: 0.6619310624069493
Energy: -0.4937754446700234
Energy: 0.7598358064942797
Energy: -0.25580898449846845
Energy: 0.7598358065042469
Energy: -0.4045470128066393
Energy: 0.5327009883905137
Energy: -0.35780179540829943
Energy: 0.5327009883905137
Energy: 0.24530760648311392
Energy: 0.7460746234324026
Energy: 0.17418860084497825
Energy: 0.7460746234308693
Energy: 0.26046866067247215
Energy: 0.6918623328898517
Energy: -0.37327471732898926
Energy: 0.6918623322361699
Energy: -0.06720262285006134
Energy: 0.7170402207331483
Energy: -0.032284543390147837
Energy: 0.7170402207890828
Energy: 0.3703155936871675
Energy: 0.7154209124104698
Energy: -0.13873719202003118
Energy: 0.7154209124089366
Energy: -0.005120871103705058
Energy: 0.6551982347587946
Energy: 0.18186674658400032
Energy: 0.6551982361206289
Energy: 0.25787833576142094
Energy: 0.7052927803199585
Energy: -0.6489501284769171
Energy: 0.7052927803214919
Energy: -0.2020551713327099
Energy: 0.7204325800530025
Energy: -0.4093203578667705
Energy: 0.7204325800476356
Energy: -0.32453609320069066
Energy: 0.6765514865864253
Energy: -0.08424782741517833
Energy: 0.676551486587192
Energy: -0.09117528338922884
Energy: 0.7001203619744717
Energy: -0.16115252172511213
Energy: 0.7001203619813722
Energy: 0.18565651934985092
Energy: 0.7661466477538347
Energy: -0.5751350471574563
Energy: 0.766146647757668
Energy: -0.13597809594165416
Energy: 0.7439994460400153
Energy: -0.2022837376719645
Energy: 0.7439994461281509
Energy: -0.10389446803282001
Energy: 0.7394850737899061
Energy: 0.21798009687169426
Energy: 0.7394850737860725
Energy: -0.29788151520310413
Energy: 0.6673362708369056
Energy: 0.2594230874556785
Energy: 0.6673362717887295

minimum gb energy = -1.6726116787650018 eV
minimum distance =  2.21387113981886 Angstroms
sigma value = 15


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

Energy: 0.30265881762002367
Energy: 0.6031076929543432
Energy: -0.6385389665468046
Energy: 0.6031076929244661
Energy: -0.3812976931581748
Energy: -0.2842159182842765
Energy: -0.4915356849486532
Energy: -0.28254634035614534
Energy: -0.4792546738021078
Energy: 0.598401128641679
Energy: -1.7428921433684719
Energy: 0.5984011286306374
Energy: -0.4884485113841681
Energy: 0.5986754114971589
Energy: -0.49510098756779986
Energy: 0.5986754114971589
Energy: -0.5834904746166599
Energy: 0.6047131368212747
Energy: -0.7175234422994051
Energy: 0.6047131368349142
Energy: -0.7314122193355279
Energy: 0.5894559837650856
Energy: -0.3904080196293343
Energy: 0.5894559837852202
Energy: -0.490885040765109
Energy: 0.5673927268767956
Energy: -0.4900293211017669
Energy: 0.5673927268748471
Energy: -1.0148959228446854
Energy: 0.5382221669262993
Energy: -0.41644922726039907
Energy: 0.5382221669198044
Energy: -0.38645084164517984
Energy: 0.6100368437607991
Energy: -0.5657368895923283
Energy: 0.6100368437575516
Energy: -0.5755183180724369
Energy: 0.5825755796131858
Energy: -0.7297317086842033
Energy: 0.5825755796294234
Energy: 0.09679680999566072
Energy: 0.5632807906196414
Energy: -0.5288342708838579
Energy: 0.5632807906163939
Energy: -1.1254723848290418
Energy: 0.5423972193109656
Energy: 0.1605201286775201
Energy: 0.5423972196478807
Energy: -0.3324980640083698
Energy: 0.6132169630593765
Energy: -0.1695634766804681
Energy: 0.6132169630619746
Energy: -0.5999137957427322
Energy: 0.6048677532378521
Energy: 0.2648637394174917
Energy: 0.6048677532365532
Energy: 0.08833534990635263
Energy: 0.5633325768846222
Energy: -0.43127539895539085
Energy: 0.5633325782213586
Energy: -0.8817675873052843
Energy: 0.5434263278373439
Energy: 0.15855511901392794
Energy: 0.5434263276867183
Energy: -0.6627967082140604
Energy: 0.609680636232206
Energy: -0.3550642877618367
Energy: 0.6096806362289585
Energy: -0.4000749372380867
Energy: 0.596327203538751
Energy: -0.6524823676689593
Energy: 0.5963272035783115
Energy: -0.4751188367897647
Energy: -0.2774010286290774
Energy: -0.6347209461144374
Energy: -0.23951928586759086
Energy: -0.4704218103084496
Energy: 0.5616946031693862
Energy: -0.4723741340851674
Energy: 0.5616946031719843
Energy: -0.3163161552156257
Energy: 0.5873989071650212
Energy: -0.3642401321596043
Energy: 0.5873989071676193
Energy: -0.337379573903433
Energy: 0.6094218975015433
Energy: -0.5355909834434597
Energy: 0.609421897525575
Energy: -0.13062902990006076
Energy: -0.34111742150628244
Energy: -0.8659293386629062
Energy: -0.3410362676768311
Energy: -0.5473135634380711
Energy: 0.5696090976056009
Energy: -0.41757239650702027
Energy: 0.5696090976030028
Energy: -0.36193555909742214
Energy: 0.1405239135303422
Energy: -1.2342022469121134
Energy: 0.14050853106063016
Energy: -0.2902963285552988
Energy: 0.6115209029734293
Energy: -0.7312400231211371
Energy: 0.6115209029727798
Energy: 0.24892462157101222
Energy: -0.37954238004332563
Energy: -0.6309618060119021
Energy: -0.39446379775506724
Energy: -0.40309241899771
Energy: 0.5641988355482059
Energy: -0.4181948225690887
Energy: 0.5641988321352446
Energy: -0.5283180025642447
Energy: 0.6223861473439279
Energy: -1.3180496406949418
Energy: 0.622386147336134
Energy: -0.3750361040604006
Energy: 0.6135795924766405
Energy: -0.5659594914124154
Energy: 0.6135795924824861
Energy: -0.5338120549346455
Energy: 0.605844274922815
Energy: -0.7353407788656166
Energy: 0.6058442743690841
Energy: -0.6694681596913877
Energy: -0.2854229733575757
Energy: -0.48169448799486225
Energy: -0.32210338516435066
Energy: -0.6572861732986155
Energy: 0.623743513750447
Energy: -0.7740527123302312
Energy: 0.6237435137374568
Energy: -0.4814277478740202
Energy: 0.3457993990853428
Energy: -0.5857019800551135
Energy: 0.3457993982770658
Energy: -0.6239746786509954
Energy: 0.6057291824863249
Energy: -0.2628530236115147
Energy: 0.6057291826518891
Energy: -0.9598875531405938
Energy: -0.3824429708176316
Energy: -0.4421155458757102
Energy: -0.33231593011515936
Energy: -0.638903528379309
Energy: 0.6293186006680634
Energy: -0.554865918001806
Energy: 0.6293186006648158

minimum gb energy = -1.7428921433684719 eV
minimum distance =  2.2305209860007 Angstroms
sigma value = 85


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

Energy: 0.6355340210179936
Energy: 0.5382119238123513
Energy: -0.8197945221624362
Energy: 0.5382119238146045
Energy: 0.5858531274795995
Energy: 0.5422807636602426
Energy: 0.1016899230757441
Energy: 0.542280763657426
Energy: 0.5916249410726012
Energy: 0.5290048052411821
Energy: -0.5019578621927956
Energy: 0.5290048052383656
Energy: 0.23505494255610804
Energy: 0.5239884195530001
Energy: 0.10260303620089307
Energy: 0.5239884195293665
Energy: 0.21558286291709258
Energy: 0.4753018422426674
Energy: -0.37185706700221577
Energy: 0.4753018420151905
Energy: 0.20794571489278324
Energy: 0.3574785172004378
Energy: 0.06257175510840483
Energy: 0.3574785706887979
Energy: 0.11977337868821422
Energy: 0.5301751113882938
Energy: -0.34766353621072865
Energy: 0.5301751113494249
Energy: -0.026274019721173016
Energy: 0.3652025726133019
Energy: 0.10416704365739021
Energy: 0.36520257248435406
Energy: 0.08041913607531226
Energy: 0.49636077758619257
Energy: -0.020936796894529427
Energy: 0.4963607775580269
Energy: -0.04402109725402235
Energy: 0.5186058718566785
Energy: 0.12277975910812311
Energy: 0.5186058718527352
Energy: 0.07346932489046179
Energy: 0.33886456206235577
Energy: 0.009163973356661468
Energy: 0.338870045509003
Energy: -0.39215856324970166
Energy: 0.5348681884430448
Energy: 0.2150168334219174
Energy: 0.5348681885055472
Energy: 0.14414238649965003
Energy: 0.4875977201217678
Energy: 0.5100893994617707
Energy: 0.4875977201268376
Energy: -0.8883123052631403
Energy: 0.5423350000503182
Energy: 0.3434729741642731
Energy: 0.5423350000514449
Energy: 0.07391151511618894
Energy: 0.5294923274439088
Energy: 0.600953350789031
Energy: 0.5294923274416554
Energy: -0.3905075247911849
Energy: 0.5215756360371454
Energy: 0.5742309133927351
Energy: 0.5215756345895023
Energy: 0.1456723296274713
Energy: 0.491979033777494
Energy: 0.7234011925439569
Energy: 0.49197903377636737
Energy: -0.7862663956945127
Energy: 0.5217282245230871
Energy: 0.3159962095054331
Energy: 0.5217282249966303
Energy: 0.1150603655984956
Energy: 0.5267477997754172
Energy: 0.225050518118403
Energy: 0.5267477998311597
Energy: -0.34540918251555236
Energy: 0.538410489501115
Energy: 0.21199141181736506
Energy: 0.5384104894909754
Energy: 0.08718234688209359
Energy: 0.4945701355133763
Energy: 0.3029682758433633
Energy: 0.4945701354891794
Energy: -0.2544786308687772
Energy: 0.3475393485119437
Energy: 0.1182147377702956
Energy: 0.3475393423739851
Energy: 0.07632394768881041
Energy: 0.33887672750716724
Energy: 0.04518470470572005
Energy: 0.3388767785174785
Energy: 0.017857836650379964
Energy: 0.5516011896814538
Energy: 0.10966565933713036
Energy: 0.5516011896820172
Energy: 0.11020967033986526
Energy: 0.412762141315849
Energy: -0.15148394731819126
Energy: 0.4127621412679928
Energy: -0.011229642021671217
Energy: 0.5237943051664999
Energy: 0.08016776514961967
Energy: 0.5237943051535437
Energy: 0.20022557293160026
Energy: 0.3697382370624219
Energy: -0.26367511130376947
Energy: 0.3697382310066561
Energy: 0.3085257180324248
Energy: 0.5427648224620364
Energy: 0.10300885360107895
Energy: 0.5427648226737404
Energy: 0.6070614497004212
Energy: 0.5211681528991086
Energy: -1.001016296830275
Energy: 0.5211681529013619
Energy: 0.6873186676146756
Energy: 0.5300763528953767
Energy: 0.0796840308892722
Energy: 0.5300763529674554
Energy: 0.6360653788281451
Energy: 0.5417886972928793
Energy: -0.46505943712628856
Energy: 0.5417886972883728
Energy: 0.6297614026966152
Energy: 0.5441847596748055
Energy: 0.09980347118905668
Energy: 0.5441847600723267
Energy: 0.29334457507388423
Energy: 0.515460483032028
Energy: -0.8426536185363078
Energy: 0.5154604830016345
Energy: 0.4761274222880301
Energy: 0.3673756219234495
Energy: 0.07890639737851526
Energy: 0.367374926188999
Energy: 0.2223612903229747
Energy: 0.5360707035347683
Energy: -0.1213582593079308
Energy: 0.536070703385541
Energy: 0.1347566806343188
Energy: 0.5518408487202577
Energy: 0.10228646599520859
Energy: 0.5518408486971619
Energy: 0.11048522499250567
Energy: 0.34405584452104243
Energy: -0.11119456196550351
Energy: 0.34405580126412405
Energy: 0.012733812499447331
Energy: 0.5322574446713089
Energy: 0.07269813953246491
Energy: 0.5322574447017023
Energy: 0.1165196659085839
Energy: 0.5399292701161118
Energy: 0.09870126187263148
Energy: 0.539929270099238
Energy: -0.20345336044423704
Energy: 0.3914578108422596
Energy: 0.09231349522556169
Energy: 0.39145784049552707
Energy: 0.060285890791141855
Energy: 0.5243682974565448
Energy: 0.3974944365042382
Energy: 0.5243682974548548
Energy: -0.3789582024022532
Energy: 0.34772065906963057
Energy: 0.16969324845579226
Energy: 0.3477204847683523
Energy: 0.11656260940703225
Energy: 0.5331812270327516
Energy: 0.35856858296165856
Energy: 0.5331812270333149

minimum gb energy = -1.001016296830275 eV
minimum distance =  2.24226282504494 Angstroms
sigma value = 113


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

Energy: 0.016602357397502498
Energy: 0.017249962187231335
Energy: 0.4816334872680092
Energy: 0.017249962187231335
Energy: 0.4819258847986547
Energy: -5.397223249613964
Energy: -5.398849359121488
Energy: -5.397223249612256
Energy: 0.016602357397935544
Energy: 0.01724996218679829
Energy: 0.4816332949376588
Energy: 0.017249962186365247
Energy: 0.4819258847986547
Energy: -5.397223249608454
Energy: -5.398849359126565
Energy: -5.397223249612256
Energy: 0.016602357397502498
Energy: 0.017249962186365247
Energy: 0.4816332949410269
Energy: 0.01724996218679829
Energy: 0.4819258847994967
Energy: -5.397223249614806
Energy: -5.39884935912784
Energy: -5.397223249608863

minimum gb energy = -5.39884935912784 eV
minimum distance =  2.45522386146534 Angstroms
sigma value = 1