Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_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=3.6583648025989532
cohesive_energy=4.00235933894197
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19, -1.04629343995053e-18, -1.7621539709049e-18, -2.98863620599824e-18, -5.1358733308850395e-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: 0.015071612645745384
Energy: 0.035224242204189696
Energy: -4.293321653593049
Energy: 0.015611386402101763
Energy: 0.035224242204189696
Energy: -3.8520969557027294
Energy: 0.015611386402101763
Energy: -3.8333360548522637
Energy: -4.26573223175456
Energy: 0.015611386402101763
Energy: 0.015071612645132949
Energy: 0.03522424220357726
Energy: 0.015611386402680175
Energy: -3.8688609881522718
Energy: 0.03522424220357726
Energy: -3.8271194436223115

minimum gb energy = -4.293321653593049 eV
minimum distance =  2.44906149195164 Angstroms
sigma value = 1


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

Energy: -4.535864407127283
Energy: -0.0046460375602419175
Energy: -5.077853626763202
Energy: 0.06086173538121046
Energy: -0.5024973759291286
Energy: 0.033489294146562494
Energy: -0.3013177331806561
Energy: 0.03348929414730525
Energy: -0.10334370850088662
Energy: -0.6133599921498978
Energy: 0.08035656289865026
Energy: -0.6133599921550971
Energy: -0.581515465346016
Energy: 0.1332331269720304
Energy: -0.3744353524141123
Energy: 0.13323312697351591
Energy: 0.1347091134318427
Energy: -0.09285308562414629
Energy: -0.09966965074500064
Energy: -0.09286054872761146
Energy: 0.13942433055959114
Energy: 0.09151833711310245
Energy: -0.017681668165725695
Energy: 0.09151833953561987
Energy: -0.1333920147613411
Energy: 0.4258490874920385
Energy: 0.08191743079249299
Energy: 0.4258490874942667
Energy: 0.08661925067804482
Energy: 0.428773939977644
Energy: 0.024056706269242896
Energy: 0.42877387571958825
Energy: -0.04556242822438977
Energy: 0.5988714351449415
Energy: -0.09433447307095118
Energy: 0.5988714351427132
Energy: -0.15446593981698417
Energy: -0.2693254103698052
Energy: -0.0746054756795322
Energy: -0.2693254351102461
Energy: -0.04290546869795327
Energy: 0.6163987415438406
Energy: -0.08819243364773273
Energy: 0.6163987415445833
Energy: -0.09972091979121199
Energy: -0.25422684952322494
Energy: -0.15035019026429863
Energy: -0.25407268696576363
Energy: -0.18614535543518393
Energy: -0.3807020875847022
Energy: 0.16440316216408263
Energy: -0.3807005716406704
Energy: 0.1584642200917892
Energy: -0.42729150168239727
Energy: 0.19886382491258336
Energy: -0.42729141568326573
Energy: 0.20540400553029323
Energy: 0.22657813287528666
Energy: -0.17724518439352693
Energy: 0.22657813285746065
Energy: 0.11406271864023441
Energy: 0.015655262220977257
Energy: 0.033543088382526995
Energy: 0.015655262226176518
Energy: -0.089952344696487
Energy: -0.5909106263357062
Energy: 0.15733421069312792
Energy: -0.5909106264685913
Energy: 0.16138333385729567
Energy: -0.5410033736597616
Energy: 0.06657596991428134
Energy: -0.5410033735781263
Energy: 0.2082223894911807
Energy: -0.5890872059272789
Energy: -0.09867244928774704
Energy: -0.5890872059236327
Energy: 0.027652278088232538
Energy: -0.654451742298943
Energy: -0.5802716509387011
Energy: -0.6544517423390516
Energy: -0.11790960176116468
Energy: 0.2371980178453826
Energy: 0.13148835356721778
Energy: 0.23719801785726663
Energy: -0.04293362353279236
Energy: 0.24944360298659352
Energy: 0.13894482524436863
Energy: 0.2494436036265751
Energy: 0.08746841523197486
Energy: 0.4652791005730896
Energy: -0.3135872893468621
Energy: 0.46527910057086136
Energy: -0.10616623937983198
Energy: -0.45080250701102254
Energy: -0.307589073462708
Energy: -0.4508025055105972
Energy: -0.09736380315495667
Energy: 0.5982170736593596
Energy: -0.0606786328151439
Energy: 0.5982170736623305
Energy: -0.1473543145025821
Energy: -0.2806771835857316
Energy: -0.13647932533487472
Energy: -0.283470523718194
Energy: -0.1118308900976739
Energy: 0.6148862270600811
Energy: -0.04172198481847427
Energy: 0.6148862270630522
Energy: -0.15001242837412657
Energy: -0.26234648852761294
Energy: -0.03708941793835167
Energy: -0.26234648636715174
Energy: 0.16169528642832315
Energy: 0.41149076560588776
Energy: -0.18024210617161482
Energy: 0.4114907656823912
Energy: 0.22189217813549847
Energy: -0.05388932532569831
Energy: 0.16072231708006404
Energy: -0.053889520684302826
Energy: -0.1808326941149006
Energy: 0.22317872709639563
Energy: 0.23925320050984086
Energy: 0.22317872745723777
Energy: 0.15273153637919565
Energy: 0.014100279036098855
Energy: 0.11218660171743372
Energy: 0.01410027915048257
Energy: 0.14711719460187037
Energy: -0.5638231358095476
Energy: -0.8460060882705761
Energy: -0.5638231358095476

minimum gb energy = -5.077853626763202 eV
minimum distance =  2.28998056180261 Angstroms
sigma value = 1


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

Energy: -3.10404390137489
Energy: -0.2893008335542712
Energy: 0.15980404829395703
Energy: 0.16208261509395772
Energy: -0.16495433359652706
Energy: 0.16621509072692867
Energy: -0.23381548692061188
Energy: 0.16621509072608182
Energy: -0.004011016432822837
Energy: -0.17639476834657558
Energy: 0.4019188183400606
Energy: -0.17639476834492032
Energy: -0.2921278673616988
Energy: 0.10955355143231506
Energy: -0.16603637561898552
Energy: 0.1095535508194529
Energy: 0.14922081953110428
Energy: 0.31426544071161555
Energy: 0.2202726447410534
Energy: 0.31426544079541685
Energy: -0.1613971629400675
Energy: 0.3472100606712552
Energy: 0.10147839723153271
Energy: 0.3472100607982467
Energy: 0.1417131941311559
Energy: 0.6377918747758434
Energy: 0.20588142794137057
Energy: 0.6377918747716091
Energy: 0.018699896393110694
Energy: 0.5031744156663311
Energy: 0.13083172600297796
Energy: 0.5031744142332399
Energy: 0.026269141294686032
Energy: 0.677824483608731
Energy: 0.12659419941580713
Energy: 0.6778244836146591
Energy: 0.009415940641116607
Energy: 0.6692387839585427
Energy: 0.08393866533401886
Energy: 0.6692387839560021
Energy: 0.28001548680152866
Energy: 0.5917025961483873
Energy: 0.13893005037692607
Energy: 0.5917025961500809
Energy: 0.26424573695895054
Energy: 0.08632719382849777
Energy: 0.07951380867538348
Energy: 0.08632721384292609
Energy: 0.16472421876513488
Energy: 0.36720589228400385
Energy: 0.311030704560824
Energy: 0.3672058922772289
Energy: -0.17934229859827697
Energy: 0.41513977276691244
Energy: 0.20395083951122583
Energy: 0.4151397727626781
Energy: 0.2341002770207265
Energy: -0.2828303959740743
Energy: 0.0774718859014248
Energy: -0.28283039598169607
Energy: -0.23849999873446892
Energy: -0.31679609168538797
Energy: -0.22916561775601654
Energy: -0.31679610115593876
Energy: 0.09084126399293686
Energy: -0.25082760626111106
Energy: 0.2840959963337587
Energy: -0.2508276062568768
Energy: -0.026780392781010735
Energy: -0.34972565240874204
Energy: 0.13182099958735644
Energy: -0.34972565241551695
Energy: 0.2630136235544759
Energy: 0.3726900069263507
Energy: 0.20480596009120064
Energy: 0.3726900068146027
Energy: -0.28927523571294417
Energy: 0.1629750002226219
Energy: 0.2384341978373374
Energy: 0.16297500014136115
Energy: 0.13527949422673297
Energy: 0.5828147832581365
Energy: 0.1599221818767498
Energy: 0.5828147832606771
Energy: 0.14053283450873458
Energy: 0.031607259025802206
Energy: 0.13625972592113364
Energy: 0.03160757583943226
Energy: 0.13670716107637396
Energy: 0.6650131655541245
Energy: 0.11479921316295068
Energy: 0.665013165556665
Energy: 0.09516267954191777
Energy: 0.5750245275474214
Energy: 0.09270886782805764
Energy: 0.5750245275423403
Energy: 0.27441097809545484
Energy: 0.6281632313399378
Energy: 0.04340588657518893
Energy: 0.6281632313373973
Energy: 0.28964570160473707
Energy: 0.14347774637700714
Energy: 0.06049318391518778
Energy: 0.14347774560162352
Energy: 0.16255798377758787
Energy: 0.3755884753050642
Energy: 0.3100996444039754
Energy: 0.3755884753118007
Energy: 0.22734511847916572
Energy: 0.3786508801299381
Energy: 0.20784966602598798
Energy: 0.3786508801375599
Energy: 0.23561812645671681
Energy: -0.23471774368094284
Energy: 0.07019845962111237
Energy: -0.2347177436716273

minimum gb energy = -3.10404390137489 eV
minimum distance =  2.26736515254641 Angstroms
sigma value = 25


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

Energy: -2.3347672837804687
Energy: 0.00916737198721781
Energy: 0.2966199562693982
Energy: 0.27800350373979105
Energy: -2.449706543959483
Energy: 0.2564332475906021
Energy: 0.1985416314721989
Energy: 0.256433248061936
Energy: -0.058642570310495246
Energy: -0.030902522829977536
Energy: 0.5216746847535845
Energy: -0.030902522831946465
Energy: -2.495231783175427
Energy: 0.28691580502306446
Energy: 0.2651537724971206
Energy: 0.2869158050860254
Energy: 0.3012367074682006
Energy: 0.48729691983854545
Energy: 0.33718847820914516
Energy: 0.4872969198592192
Energy: 0.20752483299634206
Energy: 0.3852311353739623
Energy: 0.24828800681254262
Energy: 0.38523113537593123
Energy: 0.3343695514371582
Energy: 0.7040206623449651
Energy: 0.3522679963984425
Energy: 0.7040206623469341
Energy: 0.18307894853372558
Energy: 0.5850880783902171
Energy: 0.2472989985697144
Energy: 0.585088078379388
Energy: 0.3423990598371374
Energy: 0.7407640953742136
Energy: 0.2061682629066611
Energy: 0.7407640953742136
Energy: 0.2901847540727142
Energy: 0.5696638304484406
Energy: 0.24918773839454136
Energy: 0.569663830997547
Energy: 0.305130151598421
Energy: 0.45997440720821564
Energy: 0.35470838066009674
Energy: 0.45997440723971844
Energy: 0.3001434080640589
Energy: 0.4454012090674272
Energy: 0.20922614661073335
Energy: 0.44540120905561364
Energy: -0.05435180979409017
Energy: -0.022703834443742243
Energy: 0.31850563605178656
Energy: -0.02270383444177332
Energy: 0.27210028205972486
Energy: 0.127535005216581
Energy: -2.556795311770422
Energy: 0.12753500522051886
Energy: 0.2759475817073301
Energy: -0.033812072616643256
Energy: -0.025522336919623686
Energy: -0.03381207264322375
Energy: -2.5808726213975115
Energy: -0.004614822726760515
Energy: -2.592203548140185
Energy: -0.004614822726760515
Energy: 0.3405484572694363
Energy: 0.4951589035232341
Energy: 0.3016687781517396
Energy: 0.4951589036285269
Energy: 0.3619474629492938
Energy: 0.45950535007774346
Energy: 0.21808003171245607
Energy: 0.45950535010624816
Energy: 0.35244968714537694
Energy: 0.7437920435232379
Energy: 0.32874548074118454
Energy: 0.7437920435252068
Energy: 0.2383276388941519
Energy: 0.6675136373011088
Energy: 0.3377774137474772
Energy: 0.6675136373001244
Energy: 0.20463155930973223
Energy: 0.7367305836006055
Energy: 0.352993283716437
Energy: 0.7367305836015899
Energy: 0.19778136898923174
Energy: -2.983180462705903
Energy: 0.2485376333338547
Energy: -2.9920542177509186
Energy: 0.35569333688499716
Energy: 0.5078687380910297
Energy: 0.30713301057085984
Energy: 0.5078687380772473
Energy: 0.2655637101269264
Energy: 0.5143314469442307
Energy: 0.3136420338115217
Energy: 0.5143314469471841
Energy: 0.3117994814704191
Energy: -0.03012552783418376
Energy: 0.053535474357246475
Energy: -0.030125527833199297

minimum gb energy = -2.9920542177509186 eV
minimum distance =  2.27921079899241 Angstroms
sigma value = 9


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

Energy: 0.490860139705616
Energy: 0.22078796331373615
Energy: 0.3133862812839848
Energy: 0.45211411490987063
Energy: -1.3740654252473004
Energy: 0.4583844583135709
Energy: 0.38639119682334633
Energy: 0.4583844583147453
Energy: 0.17354708075930206
Energy: 0.13298950284945277
Energy: -1.504717068714965
Energy: 0.13351491727197276
Energy: -1.3960650911514798
Energy: 0.6092326205183302
Energy: 0.36605794795530094
Energy: 0.6092326204361493
Energy: 0.5428391211707055
Energy: 0.6509057109904116
Energy: 0.5061483037124288
Energy: 0.6509057109868884
Energy: 0.3183985985452765
Energy: 0.6081156006109454
Energy: 0.3949396540880401
Energy: 0.6081156002775778
Energy: 0.6018909090383968
Energy: 0.8441922261056127
Energy: 0.5133431512379746
Energy: 0.844192226106787
Energy: 0.5153802313523199
Energy: 0.7954539214724676
Energy: 0.30723282458847107
Energy: 0.795453921500653
Energy: 0.5094134735626871
Energy: 0.6503216460990399
Energy: 0.4255750730908515
Energy: 0.6503216460966911
Energy: 0.3649933690820039
Energy: 0.6617264940195331
Energy: 0.4303240018310441
Energy: 0.6617264940160366
Energy: 0.4456462259153562
Energy: 0.18336799097581402
Energy: -1.3717748582427851
Energy: 0.18336799097463963
Energy: 0.33292093387026767
Energy: 0.15463938659835597
Energy: -1.3619899548888705
Energy: 0.15463938659835597
Energy: -1.3845666371884706
Energy: 0.1871723504411565
Energy: -1.3000225230866573
Energy: 0.18717234765320073
Energy: 0.17181823963961573
Energy: -1.3309720455809138
Energy: -1.3492752011597964
Energy: -1.3599028134224576
Energy: 0.5379785025817041
Energy: 0.6833348012639976
Energy: 0.5005178949810809
Energy: 0.6833348013297369
Energy: 0.38356784186471427
Energy: 0.6120474159487979
Energy: 0.3977239009689463
Energy: 0.6120474180594224
Energy: 0.6021610060739956
Energy: 0.8219827821875995
Energy: 0.5139517130066357
Energy: 0.8219827821934714
Energy: 0.6055541071126824
Energy: 0.8267254462987698
Energy: 0.32664348089969486
Energy: 0.8267254463128625
Energy: 0.5140328925001344
Energy: 0.6570594300814735
Energy: 0.4146110473316523
Energy: 0.657059430076776
Energy: 0.5367606512367052
Energy: 0.6253671070400186
Energy: 0.4204208471447361
Energy: 0.6253671065012124
Energy: 0.44550174355452693
Energy: 0.20534631979757245
Energy: -1.4710035101961503
Energy: 0.20534631979522366

minimum gb energy = -1.504717068714965 eV
minimum distance =  2.29626501283418 Angstroms
sigma value = 25


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

Energy: 0.873186685208695
Energy: 0.4062701646564146
Energy: 0.59504260265215
Energy: 0.6365819832831341
Energy: 0.4334852619169013
Energy: 0.6374740198707329
Energy: 0.45325962920017887
Energy: 0.6374740198707329
Energy: 0.5041456153006683
Energy: 0.42467328621864286
Energy: 0.6403274591123128
Energy: 0.42467328621283346
Energy: 0.48472524449110577
Energy: 0.6460708566683377
Energy: 0.6550647268365786
Energy: 0.6460708566683377
Energy: 0.7601409098186435
Energy: 0.8124443636639536
Energy: 0.6921973627488488
Energy: 0.8124443636625012
Energy: 0.4974868574987474
Energy: 0.8170086068004656
Energy: 0.6423274381565193
Energy: 0.8170086068004656
Energy: 0.8264520137806497
Energy: 0.8059881445888698
Energy: 0.7459197075041303
Energy: 0.8059881445874174
Energy: 0.6572543189085361
Energy: 0.7845488916330392
Energy: 0.5993769932074485
Energy: 0.7845488916446582
Energy: 0.4798468873676049
Energy: 0.4221193834203042
Energy: 0.3693445296479625
Energy: 0.4221193834246613
Energy: 0.4845381767417879
Energy: 0.4499297277156028
Energy: 0.39171314054748724
Energy: 0.44992972771995987
Energy: 0.6222216958019549
Energy: 0.6428666057597456
Energy: 0.5036769858730715
Energy: 0.6428666057481267
Energy: 0.5386027492523957
Energy: 0.45218490281985807
Energy: 0.4988242823328963
Energy: 0.45218490854399046
Energy: 0.6428557933934822
Energy: 0.8294814563883847
Energy: 0.7605556988371002
Energy: 0.8294814563869323
Energy: 0.5912241481924073
Energy: 0.8546368311958401
Energy: 0.49493022625383115
Energy: 0.8546368311943878
Energy: 0.7503060219181262
Energy: 0.8044019618085295
Energy: 0.6585485210981866
Energy: 0.8044019618085295
Energy: 0.6009330217693597
Energy: 0.8217100145868259
Energy: 0.6592711174926853
Energy: 0.8217100145781117
Energy: 0.3787911694623061
Energy: 0.42696618918871354
Energy: 0.4782237429653714
Energy: 0.4269661891814517

minimum gb energy = 0.3693445296479625 eV
minimum distance =  2.29228522935126 Angstroms
sigma value = 17


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

Energy: 0.7758954998229816
Energy: -0.5521467453218247
Energy: -0.2708300780430401
Energy: 0.17303748261399146
Energy: -0.45727427814065064
Energy: 0.5239620756956608
Energy: -0.33920650496328797
Energy: 0.5239620756882579
Energy: 0.483662882050511
Energy: 0.4172854077258257
Energy: 0.36996145986244683
Energy: 0.4172854089771856
Energy: 0.49243708089992355
Energy: 0.8342335546675599
Energy: 0.5007851229126562
Energy: 0.8342335547070049
Energy: -0.3865495113634639
Energy: 0.8691447462778522
Energy: 0.5163928920274159
Energy: 0.8691447462753844
Energy: 0.49125644838808713
Energy: 0.9825903739026679
Energy: 0.5130272497583008
Energy: 0.9825903739026679
Energy: 0.432809675759494
Energy: 0.5133933802119701
Energy: 0.5371797864684877
Energy: 0.5133933802103251
Energy: 0.4443558218195874
Energy: 0.5386796161842982
Energy: -0.1531384428109975
Energy: 0.5386796161851207
Energy: 0.2940288489134517
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Energy: 0.42808041100110833
Energy: -0.32495884939752545
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Energy: 0.47595122930367983
Energy: -0.2334281372588698
Energy: 0.5252432603449422
Energy: 0.8065792464424326
Energy: 0.5392917554974134
Energy: 0.8065792464399649
Energy: 0.48093993655792583
Energy: 0.04015147529163446
Energy: 0.5826508476801322
Energy: 0.04861459696731047
Energy: 0.5237265853612845
Energy: 0.8354985497785354
Energy: 0.6521375699666128
Energy: 0.835498549777713
Energy: 0.3855396630400272
Energy: 0.7111690602689896
Energy: 0.5053821034259982
Energy: 0.711169060264877
Energy: -0.19398947433426472
Energy: 0.37006748518241717
Energy: 0.4591436035387234
Energy: 0.37006748519146526
Energy: -0.3915320605091991
Energy: -0.2373626733890807
Energy: 0.4700510271796094
Energy: -0.23736267365711977
Energy: 0.4930105560138856
Energy: 0.5129414573462999
Energy: -0.3812676432486712
Energy: 0.5129414573199784
Energy: 0.42408446641181663
Energy: 0.5432439417570355
Energy: 0.5368841278818948
Energy: 0.543243941757858
Energy: 0.5124500425790127
Energy: 0.24382928805481674
Energy: 0.5035267282949485
Energy: 0.243134035011362
Energy: 0.6933507919720252
Energy: 0.9255917949938354
Energy: 0.5254951068893996
Energy: 0.9255917949938354
Energy: 0.544324450479034
Energy: 0.48862169619019685
Energy: 0.4780391145948176
Energy: 0.48862169608004996
Energy: 0.37365177584755604
Energy: -0.14931827530855513
Energy: 0.3758860293777331
Energy: -0.14931834964556084
Energy: 0.4783595251357944
Energy: -0.23312019619826793
Energy: -0.383789694217432
Energy: -0.2331201958775857
Energy: 0.42761581267935206
Energy: -0.22117321632743314
Energy: 0.4832580215923566
Energy: -0.22117321632661058
Energy: 0.4976214119048653
Energy: 0.8685693772715953
Energy: 0.45956952410020935
Energy: 0.8685693772732405
Energy: 0.5584737903614759
Energy: 0.6943591406552613
Energy: 0.5120320870424746
Energy: 0.694359134806259
Energy: 0.5410895231998282
Energy: 0.9126897164143288
Energy: 0.49785649796497605
Energy: 0.9126897164135063
Energy: 0.5767241160491481
Energy: 0.8203703107074531
Energy: 0.27470807970421884
Energy: 0.8203703107042003
Energy: -0.42420811099976447
Energy: 0.7922836053646696
Energy: 0.5289022120036222
Energy: 0.7922836065453277
Energy: 0.46258059773921795
Energy: 0.3554780722936174
Energy: -0.2676085637425454
Energy: 0.3554780721637293

minimum gb energy = -0.5521467453218247 eV
minimum distance =  2.27174331713007 Angstroms
sigma value = 53


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

Energy: 1.269352047502093
Energy: 0.6250947822263627
Energy: 0.7953656559801233
Energy: 0.7440169368182674
Energy: 0.6245239672125835
Energy: 0.6156972866892287
Energy: 0.6310880052722198
Energy: 0.6156972869182745
Energy: 0.6517603649438403
Energy: 0.6153528247183354
Energy: 0.7378304220640208
Energy: 0.6153528247221227
Energy: 0.6458794782497591
Energy: 0.7449751560410112
Energy: 0.6106559524360425
Energy: 0.7449751560447984
Energy: 0.6254894660519615
Energy: 0.7445327390155992
Energy: 0.7470464156718294
Energy: 0.7445327390155992
Energy: 0.6281161772430123
Energy: 0.7809765001040645
Energy: 0.7464849063575428
Energy: 0.7809765001059582
Energy: 0.579189960157219
Energy: 0.6130281859049418
Energy: 0.6597227750001712
Energy: 0.6130281858803244
Energy: 0.5986678160878534
Energy: 0.59478991543873
Energy: 0.6180119432915967
Energy: 0.5947897925706755
Energy: 0.6554127981082138
Energy: 0.6213511655319064
Energy: 0.7345682639800555
Energy: 0.6213511655338001
Energy: 0.6747636823461691
Energy: 0.6129447758058145
Energy: 0.6240021106266477
Energy: 0.6129447583711336
Energy: 0.6459007537047802
Energy: 0.7817070500942368
Energy: 0.7479201920807163
Energy: 0.7817070500961305
Energy: 0.6544808547602752
Energy: 0.7423134085707186
Energy: 0.815585271269918
Energy: 0.7423134085726122
Energy: 0.5891857806742481
Energy: 0.5891473038744648
Energy: 0.6402018316308854
Energy: 0.5891473132173992

minimum gb energy = 0.579189960157219 eV
minimum distance =  2.31682386826815 Angstroms
sigma value = 9


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

Energy: 0.39437282637026366
Energy: -1.0633018847832738
Energy: 0.5153087544775046
Energy: 0.46305911943581946
Energy: -0.6617975932237291
Energy: 1.1080737422458173
Energy: 0.46879296244653423
Energy: 1.1080737422409113
Energy: 0.5228016126162388
Energy: 0.5297641689056044
Energy: -0.42030153400655085
Energy: 0.5297641689203226
Energy: -0.8069876313177191
Energy: 0.5300920917336169
Energy: 0.3885275521693662
Energy: 0.5300920917399249
Energy: -0.7931233558952837
Energy: 0.8431762649519321
Energy: -0.6619505920273551
Energy: 0.8431762649596417
Energy: -0.4428948983361988
Energy: 0.8670555475790767
Energy: -0.6519690335281774
Energy: 0.8670555475811794
Energy: 0.476933819901871
Energy: -0.37399672585369487
Energy: -0.45010587222960247
Energy: -0.37395511108233276
Energy: 0.5712475277668563
Energy: 0.31767627775352636
Energy: 0.31169962462977346
Energy: 0.3176762777549281
Energy: 0.49306244778805547
Energy: 0.8112481667994306
Energy: 0.5040641154354244
Energy: 0.8112481627578839
Energy: 0.8050956329819539
Energy: 0.7709638697512566
Energy: -0.3779200659408263
Energy: 0.7709638646575099
Energy: -0.8229864173783719
Energy: -0.7283461713656537
Energy: 0.5632179534556783
Energy: -0.728346171302639
Energy: 0.5102322852199228
Energy: 0.4914891727109577
Energy: 0.28591711570057243
Energy: 0.4914891727109577
Energy: 0.5032926981020948
Energy: -0.3034074111330649
Energy: -0.6326150936369708
Energy: -0.30347553642143404
Energy: 0.45099994399884175
Energy: -0.7834641226231874
Energy: -0.7279942871935213
Energy: -0.7885523798278706
Energy: -0.6509890172108276
Energy: 0.7182828176219475
Energy: 0.49524296893253195
Energy: 0.7182827675206848
Energy: 0.46180316910782127
Energy: 0.957709348829692
Energy: 0.49425140535224527
Energy: 0.9577093488289912
Energy: -0.3292221675153447
Energy: 1.0401275174509395
Energy: 0.4875525958656997
Energy: 1.0401275174516402
Energy: -0.39298573753654226
Energy: -0.6265684325334601
Energy: 0.5530950804579537
Energy: -0.6265684323723233
Energy: -0.7135058167843481
Energy: 1.0102683876785803
Energy: -0.3090063675373816
Energy: 1.0102683876869907
Energy: -0.3371899552582286
Energy: 0.5223965362259256
Energy: 0.5319949613316404
Energy: 0.5223965362273274
Energy: 0.4295062962180498
Energy: 0.528014312395552
Energy: -0.6750291275896466
Energy: 0.5280143123948512
Energy: -0.7278859518685669
Energy: 0.7594947555523466
Energy: -0.7203151104914894
Energy: 0.7594947555677658
Energy: -0.6066684901985184
Energy: 0.051703355255248065
Energy: 0.4807085637744195
Energy: -0.5892248411795803
Energy: 0.37859602266207687
Energy: -0.3294579168040768
Energy: 0.4857253757205959
Energy: -0.33872619304759033
Energy: -0.6039009400787873
Energy: 0.27535853642058256
Energy: 0.5411811976775498
Energy: 0.2753585364157402
Energy: 0.5039639540117947
Energy: 0.8300971522476603
Energy: 0.5300374457200008
Energy: 0.8300971523737536
Energy: -0.3786573886654925
Energy: 0.8444051329812122
Energy: 0.7997826900746648
Energy: 0.8444051327002899
Energy: 0.5671492439962604
Energy: -0.790431944099509
Energy: -0.85271763999383
Energy: -0.790431959948965
Energy: -0.17676251295198217
Energy: -0.49228393250675845
Energy: 0.4573950116763194
Energy: -0.4922839325025532
Energy: -0.46372462687411375
Energy: -0.8794539875538581
Energy: 0.49146595785580816
Energy: -0.8794551961768721
Energy: 0.5285094329620428
Energy: -0.7910384032801006
Energy: 0.430938335291654
Energy: -0.7910448112555056
Energy: 0.5389815737307954
Energy: 0.7619341901145831
Energy: -0.5931344682120844
Energy: 0.7619342191044973
Energy: 0.4917958118727493
Energy: 0.9746895324465653
Energy: 0.46553233069709904
Energy: 0.9746895324535741
Energy: 0.5447741407951887
Energy: 1.03557394372337
Energy: 0.5647255154393138
Energy: 1.035573943721968
Energy: 0.5531238238291438
Energy: -0.6352718631074488
Energy: -0.6545701649752503
Energy: -0.6352718630738069

minimum gb energy = -1.0633018847832738 eV
minimum distance =  2.25722505892878 Angstroms
sigma value = 73


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

Energy: 0.5536796559187716
Energy: 0.3051908691634941
Energy: 0.22534051934039911
Energy: 0.5656947779335192
Energy: 0.39189414816753076
Energy: 0.506112257752554
Energy: 0.22814184261618226
Energy: 0.4974042365005361
Energy: 0.5168164851420044
Energy: 0.5143622575947402
Energy: 0.5038206466202177
Energy: 0.5143622576025241
Energy: 0.509901906182419
Energy: 0.7301517605103796
Energy: 0.24873031577621402
Energy: 0.730151760096896
Energy: 0.49883550760626694
Energy: 0.7990247178399208
Energy: 0.2203378533013674
Energy: 0.7990247178488167
Energy: 0.2569772530106737
Energy: 0.7979960155346905
Energy: 0.203401233438176
Energy: 0.7979960155324666
Energy: 0.4334657676182866
Energy: 0.3144195254319232
Energy: 0.3190292864150082
Energy: 0.31441952481282237
Energy: 0.5084325840378003
Energy: 0.3431965833292035
Energy: 0.5050231256044734
Energy: 0.34319658331143693
Energy: 0.28503203695932
Energy: 0.7365422302084826
Energy: 0.3102547613369538
Energy: 0.7365422294215471
Energy: 0.8470850757008752
Energy: -0.37098279598016454
Energy: 0.31287272219227164
Energy: -0.35985573994543785
Energy: 0.19355654464332375
Energy: 0.20878360313627894
Energy: 0.4826926469678329
Energy: 0.20878360301512253
Energy: 0.3166165931561486
Energy: 0.23052637373016285
Energy: 0.5754205149879267
Energy: 0.23052644326652924
Energy: 0.5634087999862063
Energy: 0.813216465750069
Energy: 0.27382322969734796
Energy: 0.813216465762301
Energy: 0.5442274643500787
Energy: 0.7996910901633231
Energy: 0.49110366351534657
Energy: 0.7996910901433072
Energy: 0.28792827208578553
Energy: 0.819323125246201
Energy: 0.5067893956956963
Energy: 0.8193231252228745
Energy: 0.2260312245988453
Energy: 0.8186769409515262
Energy: 0.5107451562583278
Energy: 0.8186769409515262
Energy: 0.34658204448511043
Energy: 0.7867132356626177
Energy: 0.44139245829307755
Energy: 0.7867132357537505
Energy: 0.31129829908041196
Energy: 0.3036508828115545
Energy: 0.41754927518781854
Energy: 0.30365088276932417
Energy: 0.5001186255540869
Energy: 0.7853105187856642
Energy: 0.5431738820238821
Energy: 0.7853105191391001
Energy: 0.2555057049163559
Energy: 0.5256045226389856
Energy: 0.31181775515977284
Energy: 0.5256045226411843
Energy: 0.5241961731198622
Energy: 0.14642551111149357
Energy: 0.5441178495520281
Energy: 0.1480739357690184
Energy: 0.5768013855760226
Energy: 0.2723844056427725
Energy: 0.2723518547542339
Energy: 0.27236889354072275

minimum gb energy = -0.37098279598016454 eV
minimum distance =  2.25745367304479 Angstroms
sigma value = 7


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

Energy: -0.2089451677053559
Energy: -0.31558246969953396
Energy: -0.3060697517600049
Energy: -0.1510018664415884
Energy: -0.5498886742008781
Energy: 0.11499322973886088
Energy: -0.4806100604951132
Energy: 0.11499224814285938
Energy: -0.20398591563701457
Energy: 0.6731107762119681
Energy: -0.22004493650510937
Energy: 0.6731107762151134
Energy: -0.3435888914292973
Energy: -0.34429685529638737
Energy: -0.3554135345868122
Energy: -0.34429688030364314
Energy: -0.2455236714057576
Energy: -0.37043529510762824
Energy: 0.4778989477323876
Energy: -0.3704352951092009
Energy: -0.6166512794018607
Energy: 0.7820101673338913
Energy: 0.48030587864673596
Energy: 0.7820101672442892
Energy: 0.02921054820409928
Energy: -0.0921571902845878
Energy: -0.500113617794265
Energy: -0.09215042340300354
Energy: -0.3642379336345854
Energy: -0.541586459726709
Energy: -0.3004855233397117
Energy: -0.5415643965563778
Energy: -0.5409797434806979
Energy: -0.6283897568615175
Energy: -0.6782941434795647
Energy: -0.6283876810150058
Energy: -0.3453789196527412
Energy: 0.8825826005848743
Energy: -0.6376254856801928
Energy: 0.8825826005840881
Energy: -0.5623570085302084
Energy: -0.238599727587448
Energy: -0.3053627310795286
Energy: -0.23859992649178274
Energy: -0.2790908153552638
Energy: -0.37170096949046655
Energy: 0.5668788512815008
Energy: -0.37170096958085486
Energy: -0.3363051543899754
Energy: 0.6912874597414044
Energy: -0.6895837047294873
Energy: 0.6912874597280732
Energy: -0.3268099921318532
Energy: -0.26090282504915924
Energy: -0.6209264957041959
Energy: -0.26090282512539426
Energy: -0.5223107957305534
Energy: 0.7300784833812859
Energy: -0.6211159800227364
Energy: 0.7300784833144863
Energy: 0.004204460353758209
Energy: -0.3975962566462975
Energy: -0.2606237295304353
Energy: -0.3975962568711068
Energy: -0.29927515794263104
Energy: -0.5830861971463217
Energy: -0.5386555641974302
Energy: -0.5830836708389628
Energy: -0.2660318366703393
Energy: 0.9292545116351759
Energy: -0.12914764946231563
Energy: 0.9292545116438252
Energy: -0.17250849705798238
Energy: -0.5277120101493573
Energy: -0.5118658219780984
Energy: -0.5276511368747003
Energy: -0.6061191203039232
Energy: -0.28283136052566493
Energy: -0.42283815782202316
Energy: -0.2828313073783709
Energy: -0.4134371865731341
Energy: 0.7785238543806046
Energy: 0.4736609853328391
Energy: 0.7785238543845361
Energy: -0.061477192838665935
Energy: -0.2620050930624579
Energy: -0.5109821499982617
Energy: -0.22236419754641826
Energy: -0.05650499701069527
Energy: -0.30383144798642353
Energy: -0.14752220710907152
Energy: -0.3038314544044586
Energy: -0.2945319282242266
Energy: -0.3014208848350275
Energy: -0.791011738997306
Energy: -0.30142088478313195
Energy: -0.2887109387517181
Energy: -0.610086959340229
Energy: -0.6317777765278298
Energy: -0.6100810803359717
Energy: -0.3802158533759951
Energy: -0.021054242972215337
Energy: -0.6506980882394693
Energy: -0.024224490504726963
Energy: -0.5587251790805241
Energy: -0.5204237412936796
Energy: 0.016166027562537523
Energy: -0.5204278907923651
Energy: -0.5546402398465533
Energy: 0.16658123311928286
Energy: -0.5648306746967282
Energy: 0.16658073287813333
Energy: -0.2900713607185194
Energy: -0.6280126761195406
Energy: -0.34915662788231083
Energy: -0.628012676136839
Energy: -0.5987787575009457
Energy: 0.7841976289152385
Energy: -0.4657985961996453
Energy: 0.7841976289120934
Energy: 0.01088623480641287
Energy: -0.2913576050964334
Energy: -0.5864284189135309
Energy: -0.2913576048103288

minimum gb energy = -0.791011738997306 eV
minimum distance =  2.25743465512862 Angstroms
sigma value = 29


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

Energy: 0.8902704009372482
Energy: -0.2714303043409995
Energy: -0.425945925631218
Energy: 0.8675822909105768
Energy: -0.04879594345015572
Energy: -0.35080558176730037
Energy: -0.4320530599388892
Energy: -0.3507811088061427
Energy: -0.43403211800035235
Energy: -0.3758291223461589
Energy: 0.7170746697430619
Energy: -0.4342326134484107
Energy: 0.5407939265213489
Energy: -0.07234321143045282
Energy: -0.42085481918096224
Energy: -0.07235358115040236
Energy: -0.024164436552321734
Energy: -0.36180772698040287
Energy: 0.5354212645218026
Energy: -0.3617326017524268
Energy: -0.053987505886142886
Energy: -0.33809778678174357
Energy: 0.5370421626486412
Energy: -0.30448068785162435
Energy: 0.7208459415321399
Energy: -0.2714269968226652
Energy: -0.4271673644358573
Energy: -0.27142699743724225
Energy: -0.5731200416682224
Energy: -0.35479967426253606
Energy: 0.5487974217936579
Energy: -0.35479239133573626
Energy: 0.5462198356064183
Energy: -0.3960352422974195
Energy: -0.3567704860118535
Energy: -0.39625945780438565

minimum gb energy = -0.5731200416682224 eV
minimum distance =  2.27859662039772 Angstroms
sigma value = 5


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

Energy: 0.29732166812039995
Energy: -1.6390824586341455
Energy: -0.5392448660470431
Energy: -0.351436693485307
Energy: -0.41812061114779014
Energy: -0.5689894801010349
Energy: -0.4306435466071001
Energy: -0.5689902091085489
Energy: 0.22625036578348462
Energy: 0.018799925829950846
Energy: -0.45083251050422884
Energy: 0.018953572171957946
Energy: -0.321926145989792
Energy: 0.2219493635109511
Energy: -0.44924552878410556
Energy: 0.22194936235725563
Energy: -0.4261151072835301
Energy: -0.4535438018760924
Energy: 0.06573012550327301
Energy: -0.45350227335332366
Energy: -0.4619982350739319
Energy: -0.4714443862837992
Energy: 0.06198373139391733
Energy: -0.4755524826945407
Energy: -0.5948663255065293
Energy: -0.5716014329407485
Energy: -0.429326172867941
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Energy: -0.5681500605682447
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Energy: -0.04907451877896674
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Energy: -0.4584016863202567
Energy: -0.533794794353467
Energy: -0.44796784298974024
Energy: -0.5333116581154488
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Energy: 0.08915927260114213
Energy: -0.4824162594249687
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Energy: -0.4347544861496854
Energy: -0.42417158759282425
Energy: -0.37436545023654444
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Energy: -0.6059897540854725
Energy: -0.32837085187899917
Energy: -0.07896976646980693
Energy: -0.41611835853150275
Energy: -0.38904842190009825
Energy: -0.41415347462144064
Energy: -0.5495764189832707
Energy: -0.2622376798233288
Energy: -0.036547389784766314
Energy: -0.33099837055916587
Energy: -0.5761950254806156
Energy: -0.5894398417395454
Energy: -0.4442232933205317
Energy: -0.5894388346920982
Energy: -0.5704019159703694
Energy: -0.5864626953814465
Energy: -0.20423969740500258
Energy: -0.5864621404309674
Energy: -0.496632643764348
Energy: -0.4432543373436313
Energy: 0.025397087355945994
Energy: -0.4115217627239434
Energy: -0.12233571087019367
Energy: 0.08050221883482313
Energy: -0.5212695510876127
Energy: 0.08050745670847971
Energy: -0.22573162437505848
Energy: -0.48820884009487775
Energy: -0.5223957218464359
Energy: -0.48820884272381254
Energy: -0.4155540573405247
Energy: -0.5142794409508419
Energy: -0.4961022298730586
Energy: -0.5142794545639217
Energy: -0.03706101450489385
Energy: -0.5139705833637979
Energy: -0.5690350429711367
Energy: -0.5139684699945762

minimum gb energy = -1.6390824586341455 eV
minimum distance =  2.20847953520482 Angstroms
sigma value = 1


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

Energy: 0.37075769480352055
Energy: -0.30540870720481095
Energy: -0.3686622426173565
Energy: -0.2053772971413631
Energy: -0.2434059021913092
Energy: -0.19755423462141355
Energy: -0.06261305825606028
Energy: -0.19755422961406074
Energy: -0.16397485472306747
Energy: 0.3399794433531985
Energy: -0.40818848286631265
Energy: 0.3399794694904617
Energy: 0.00395652236639808
Energy: 0.4831984270997197
Energy: -0.24326927154298422
Energy: 0.4831984315743516
Energy: -0.1629127358464619
Energy: -0.3112711826513984
Energy: 0.12733672435776136
Energy: -0.31127120333373365
Energy: -0.2852938884581309
Energy: -0.28538077372702975
Energy: 0.05728419533718093
Energy: -0.2853807736305406
Energy: -0.29193050954099253
Energy: -0.23494300336668836
Energy: -0.3018992939905463
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Energy: -0.5462673918310782
Energy: -0.4650319522815464
Energy: 0.02869311590297791
Energy: -0.39206535267941084
Energy: -0.13421427439413483
Energy: -0.04865161453361001
Energy: 0.3758657760784273
Energy: -0.04909361118406929
Energy: 0.09571267566278882
Energy: 0.39918294358058043
Energy: -0.41728661835248865
Energy: 0.3991828136671577
Energy: -0.21800665824931528
Energy: -0.2756379481606679
Energy: -0.4885880222594993
Energy: -0.2756379479553658
Energy: 0.3801788531087299
Energy: -0.2746801558230392
Energy: -0.2764565050355658
Energy: -0.27468017816011425
Energy: 0.8083714787794058
Energy: -0.3037247526650293
Energy: -0.27767149545591097
Energy: -0.30371147554817063
Energy: -0.08109818798072772
Energy: 0.6152839162357925
Energy: -0.30688575751243297
Energy: 0.6152839162337386
Energy: -0.1235724170420384
Energy: -0.1620869472164349
Energy: -0.06653548392505407
Energy: -0.1620869472236237
Energy: -0.18863392571041732
Energy: 0.042618670195910854
Energy: -0.30926207345688717
Energy: 0.04261867031293954
Energy: -0.34965729492986425
Energy: -0.47927124668295623
Energy: 0.1097523139838351
Energy: -0.47927124174128327
Energy: -0.493543268529899
Energy: -0.4186159198184937
Energy: 0.029493298042572818
Energy: -0.4114348500412645
Energy: -0.3320885638581175
Energy: -0.30513630899675703
Energy: 0.19591292863356663
Energy: -0.3051362609350767
Energy: -0.3427941863208973
Energy: 0.3247133053653035
Energy: 0.004221332532314931
Energy: 0.3247128641491234
Energy: 0.39375941962866406
Energy: 0.03446843042628593
Energy: -0.09970553034185461
Energy: 0.034468413499978826
Energy: 0.3172515330677774
Energy: -0.29073672045494153
Energy: -0.29529709227536083
Energy: -0.2907367205432149
Energy: -0.08758969128656208
Energy: -0.275008514133723
Energy: -0.3395775589637638
Energy: -0.2750085140598273
Energy: 0.818072908897507
Energy: -0.583409984739134
Energy: -0.5144675495440701
Energy: -0.5834017248893439

minimum gb energy = -0.583409984739134 eV
minimum distance =  2.22980160162954 Angstroms
sigma value = 17


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

Energy: -1.0892867899509626
Energy: -1.1053672836103605
Energy: -1.121099424506961
Energy: -1.0884180732026472
Energy: -1.0972729521950624
Energy: -1.1419629579276387
Energy: -1.0600033521361505
Energy: -1.1419654182929722
Energy: -0.9392915117007857
Energy: -1.4302339522649146
Energy: -0.8259896846679252
Energy: -1.1628027102483465
Energy: -1.2250179555439855
Energy: -0.9401513356399473
Energy: -0.998592428958535
Energy: -0.7317040210429971
Energy: -1.1080591920169365
Energy: -1.1988509904286566
Energy: -0.6724516443711867
Energy: -1.198854653883153
Energy: -1.2005333534138276
Energy: -1.200129451243226
Energy: -0.5881639638694176
Energy: -1.200129451760954
Energy: -1.068630850016099
Energy: -1.0867171264910862
Energy: -1.0603554535868829
Energy: -1.0861473288344106
Energy: -1.160173804674878
Energy: -1.1593962200726018
Energy: -0.7924020965591635
Energy: -1.1594269879868393
Energy: -1.5078969064350098
Energy: -1.6164930543965086
Energy: -1.094998257935861
Energy: -1.5366553686073787
Energy: -0.7632121967822701
Energy: -0.5722134612906637
Energy: -0.9989172769038507
Energy: -0.5721882720587037
Energy: -0.2883699457421394
Energy: -0.34988848202288614
Energy: -1.0585952069299678
Energy: -0.4921651196256426
Energy: -0.8384981749398929
Energy: -0.9104551390582432
Energy: -0.5213007834154312
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Energy: -0.2535124987808225
Energy: -0.9262648102406418
Energy: -0.7184374161698599
Energy: -0.8648430882225164
Energy: -1.548813446499991
Energy: -1.442659099340646
Energy: -1.0413381436626021
Energy: -1.4426403732357433
Energy: -0.30514841994264424
Energy: -1.1731373245680066
Energy: -1.0692720601814236
Energy: -1.1732038105234517
Energy: -0.773068389997382
Energy: -1.4223792125106118
Energy: -0.9076277962772368
Energy: -1.4207385648575888
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Energy: -0.9699820607170012
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Energy: -0.9602826394585272
Energy: -1.0745531263687575
Energy: 0.5779585056616031
Energy: -0.756702110623489
Energy: 0.5779585055125515
Energy: -0.9738892536842495
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Energy: 0.566838184626416
Energy: -0.8323961387416425
Energy: -1.1600335217447806
Energy: -0.044835372451951086
Energy: -1.1600335181866408
Energy: -1.025171996135509
Energy: 0.4693537666411368
Energy: -1.0937049767304683
Energy: 0.4693535846924332
Energy: -0.8113548790756332
Energy: 0.614136101008575
Energy: -0.9747179425913154
Energy: 0.6141361009965146
Energy: -1.2325172632083732
Energy: -1.1239044298231966
Energy: -1.223249785801722
Energy: -0.9842061651666989
Energy: -0.7175379133081143
Energy: -0.427040823793521
Energy: -1.0058205348716114
Energy: -0.4263991393358351
Energy: -0.6223693685935319
Energy: -1.2411821597766302
Energy: -1.235951286181505
Energy: -1.2431511411614826
Energy: -1.0361416692119654
Energy: -1.1894574990987423
Energy: -1.0801337854734898
Energy: -1.1910509547198476
Energy: -0.9255746058726719
Energy: -1.1167829139262915
Energy: -1.0966431208890668
Energy: -1.131811485808203
Energy: -1.810686486253257
Energy: -0.8173280867011072
Energy: -0.7679489482707511
Energy: -0.9180797304305335
Energy: -1.0045029485281927
Energy: -0.009197689837630689
Energy: -0.763671578548691
Energy: -0.009197407603057973
Energy: -0.8878597366431058
Energy: -0.7192346734404178
Energy: -1.018360764866499
Energy: -1.007281288880032
Energy: -0.21582888958427432
Energy: -0.8200874817539054
Energy: -0.47479451818911955
Energy: -0.8200870354468476
Energy: -1.064472792918129
Energy: -0.8372947345528989
Energy: -0.5937871163835773
Energy: -0.8372943549909279
Energy: -0.9925912112612977
Energy: -0.9459392073486973
Energy: -0.730378505443502
Energy: -0.9459392076912911
Energy: -1.1176119166543634
Energy: -1.0943834835998043
Energy: -0.24768063889060274
Energy: -1.0952350810284897
Energy: -1.8816549044487567
Energy: -0.9206460067713174
Energy: -0.8980361921680425
Energy: -0.896155613930592
Energy: -0.914530682938516
Energy: -1.4568000529446907
Energy: -1.3415081095125196
Energy: -1.3615275564856906
Energy: -1.028809980645894
Energy: -1.4127452857630298
Energy: -1.0783472032799282
Energy: -1.3907189263555233
Energy: -0.6999497005867302
Energy: -1.272871601602496
Energy: -1.257676253125822
Energy: -1.2728716004312604

minimum gb energy = -1.8816549044487567 eV
minimum distance =  2.16625198012034 Angstroms
sigma value = 89


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

Energy: -0.21992034037495028
Energy: -0.9218304588369681
Energy: -1.0236572298272977
Energy: 1.1811551708188934
Energy: -1.0381772680964618
Energy: -0.8488498275816541
Energy: -0.9330209595292833
Energy: -0.8798542371690787
Energy: -0.6893148920283255
Energy: -0.879102067316245
Energy: -1.0096199635322824
Energy: -0.8007221585715902
Energy: -0.6647375941705116
Energy: -0.802698886937392
Energy: -1.0198263034198143
Energy: -0.7988154532462496
Energy: -0.6615869549564142
Energy: -0.9361815780087435
Energy: -0.22302101473005598
Energy: -0.9011755278629039
Energy: -0.9386577403118067
Energy: -0.9146135363558723
Energy: -0.32087417036098675
Energy: -0.8972787270543469
Energy: -0.8881931695842508
Energy: -1.0066679342734721
Energy: -0.9382259450308356
Energy: -0.9844845719741716
Energy: -0.9675441024804542
Energy: -1.0001865181598226
Energy: -0.5839531716752301
Energy: -0.9618198492882067
Energy: -0.976347369950374
Energy: -0.9424622593077456
Energy: -0.6553857213930612
Energy: -0.9634110902178635
Energy: -0.9923212380652483
Energy: -0.8780470417528052
Energy: -0.5902931001814816
Energy: -0.8751913207108547
Energy: -0.9759502613394676
Energy: -0.9515971856774046
Energy: -0.6723692153639151
Energy: -0.8701207098910785
Energy: -0.22166871950083253
Energy: -0.9631665778774776
Energy: -0.5918740736857365
Energy: -0.9527285595959644
Energy: -0.21167982221993545
Energy: -0.8904072111346242
Energy: -0.905662691541734
Energy: -0.9605098980473522
Energy: -0.9313513312501416
Energy: -1.0407530469221546
Energy: -0.9517264999301587
Energy: -0.9746432791370084
Energy: -0.7138802044693475
Energy: -0.9176108412027333
Energy: -0.9846340973373088
Energy: -0.911508471155948

minimum gb energy = -1.0407530469221546 eV
minimum distance =  2.23733991793282 Angstroms
sigma value = 13


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

Energy: -0.7743969163287695
Energy: -1.592673191705494
Energy: -1.6870558056409442
Energy: -1.0488602604514403
Energy: -1.3680454018296462
Energy: -0.8706293382033563
Energy: -1.6282080357794853
Energy: -0.8706293694153647
Energy: -1.5916630403460688
Energy: -0.36370505237908063
Energy: -0.7353840251599078
Energy: -0.3642084988228386
Energy: -0.3481274382348182
Energy: -1.517082661126886
Energy: -1.6634922100808345
Energy: -1.5151055043618442
Energy: -1.4744140347350456
Energy: -1.345445678720186
Energy: -1.3182338356533074
Energy: -1.3468827709139906
Energy: -0.9232778242108214
Energy: -1.5286436870219473
Energy: -1.3823428039805372
Energy: -1.528643080279457
Energy: -0.7800547054675238
Energy: 0.546251188388842
Energy: -1.5002219644915666
Energy: 0.5462511883958033
Energy: -0.748140019243029
Energy: -1.7610816021810451
Energy: -1.0867815401488998
Energy: -1.7588250037078401
Energy: -1.7672696339951681
Energy: -1.5372908873254907
Energy: -1.0649198894578757
Energy: -1.537290257200257
Energy: -1.7998693588360246
Energy: -1.6541944224765701
Energy: -1.5027579253100976
Energy: -1.654193274453475
Energy: -1.7142498713849288
Energy: -1.6310505080820534
Energy: -0.7581910897771463
Energy: -1.6310509869831924
Energy: -0.942244759356519
Energy: -1.7237536583012487
Energy: -1.5110961304898824
Energy: -1.7252459635583184
Energy: -1.5960396868825426
Energy: -1.3300121487173295
Energy: -1.5942133558911153
Energy: -1.3154020361125967
Energy: -1.611815298851581
Energy: -0.9693705622529359
Energy: -0.2495378047035609
Energy: -0.9701962587543143
Energy: -1.2738155336634933
Energy: -1.796647952784997
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Energy: -1.2436732374306634
Energy: -1.0143214000949003
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Energy: -0.9736987101489724
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Energy: -1.6197705612287294
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Energy: -1.1193397886098893
Energy: -1.6441780551851632
Energy: -1.6669022282785337
Energy: -1.6442841129016204
Energy: -1.525667381447652
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Energy: -0.9989659598307126
Energy: -1.4325752413378807
Energy: -0.49076897690524157
Energy: -1.7006160470581515
Energy: -1.5141296463171703
Energy: -1.689286472470451
Energy: -1.527469334972514
Energy: -1.6070018102386645
Energy: -1.3546186457937506
Energy: -1.6088215913544053
Energy: -1.4960737734900764
Energy: -1.1648549757114406
Energy: -0.2501992727609316
Energy: -1.1646839089867707
Energy: -1.6082576410688816
Energy: -1.727222743208296
Energy: -1.5075866746253366
Energy: -1.7157522977902953
Energy: -1.0713964131060134
Energy: -1.7622434421315094
Energy: -1.1406251855637937
Energy: -1.7693606436679408
Energy: -1.7217351587147374
Energy: -1.6675609604726922
Energy: -1.114015563107115
Energy: -1.6695514318173326
Energy: -1.7154929128309635
Energy: -0.7274585980520153
Energy: -1.50037489552214
Energy: -0.727457728872494
Energy: -1.7746427816707733
Energy: -1.5537288515544565
Energy: -1.1871168450610408
Energy: -1.5537288767804
Energy: -1.1761043767741406
Energy: -1.784160275399527
Energy: -1.2695983670682036
Energy: -1.6931008677004133
Energy: -0.8218798941150062
Energy: -1.40892848467664
Energy: -1.5810180161961425
Energy: -1.3456889584857699
Energy: -1.4541166922410698
Energy: -1.675780275645577
Energy: -0.33406117311974876
Energy: -1.669833619134646
Energy: -1.309563166238344
Energy: -1.678606730627686
Energy: -1.5089244537685838
Energy: -1.678606131009607
Energy: -1.2698074065447331
Energy: -1.7799901644428244
Energy: -1.7959092340776668
Energy: -1.7799901184747111
Energy: -1.2398600902028063
Energy: -1.4411890931321956
Energy: -1.1954123210842276
Energy: -1.4411878740208546
Energy: -1.0579353308511528
Energy: -1.8085253043935283
Energy: -1.7259677882460502
Energy: -1.7893649496592863

minimum gb energy = -1.8085253043935283 eV
minimum distance =  2.18840727941748 Angstroms
sigma value = 37


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

Energy: 0.17771676587929716
Energy: -1.1843815246633302
Energy: -1.1326984728313294
Energy: -0.1036295300257381
Energy: -0.8361772055384624
Energy: -1.1139717833817608
Energy: -0.9377522040916182
Energy: -1.1534547943254625
Energy: -0.582685987871497
Energy: -1.0973042260198107
Energy: -0.9737490641909468
Energy: -1.156471120805218
Energy: -0.7134999638844829
Energy: -1.0751999000765564
Energy: -1.019288823662618
Energy: -1.0132421255822488
Energy: -0.6072895466016298
Energy: -0.825005716946182
Energy: -0.6118353213733349
Energy: -0.8250136659365526
Energy: -0.7592812015911389
Energy: 0.5809726591311991
Energy: -0.7514432826263319
Energy: 0.5809726594544015
Energy: -0.7946312154211337
Energy: -1.1545723775042154
Energy: -0.6699383641691179
Energy: -1.1366661589409572
Energy: -0.992260246552597
Energy: -1.1775946114763982
Energy: -0.2836315056385229
Energy: -1.1442024454106716
Energy: -1.1435479704327123
Energy: -1.1043635887249978
Energy: -0.22676776442511376
Energy: -1.1407780388907405
Energy: -1.1373424405852472
Energy: -0.12615511336317564
Energy: -0.7505290651236375
Energy: -0.12615141999282053
Energy: -1.1769227211922395
Energy: -0.10362950956458493
Energy: 0.15898425364339794
Energy: -1.1432578659857235
Energy: -1.0114701851095176
Energy: -1.1498138182458701
Energy: -0.7528714252397314
Energy: -1.1172170295820711
Energy: -0.9746292814521862
Energy: -1.1068756287152735
Energy: -0.5963422183710956
Energy: -1.101986690525664
Energy: -1.0298371829374382
Energy: -1.036592511255588
Energy: -0.6817600272673535
Energy: -1.000084569398541
Energy: -0.6481428467599181
Energy: -0.8249934737562303
Energy: -0.6923331016526864
Energy: -0.8250190852830293
Energy: -0.47550619774221153
Energy: 0.5809726599057251
Energy: -0.6719497038993426
Energy: 0.5809726597620615
Energy: -0.6672194603456417
Energy: -1.1290253295181538
Energy: -0.7850031072793623
Energy: -1.152139102377895
Energy: -0.2949741952947726
Energy: -1.1970980286545065
Energy: -1.0049571584695682
Energy: -1.171349750972358
Energy: -0.2769650160595541
Energy: -1.1047245429156753
Energy: -1.1469883507158165
Energy: -1.1539174692410576
Energy: -0.8908978942569213
Energy: -0.1261552130305173
Energy: -1.1065037417513133
Energy: -0.12613712569647711

minimum gb energy = -1.1970980286545065 eV
minimum distance =  2.27246980820269 Angstroms
sigma value = 25


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

Energy: -0.6883891588045488
Energy: -1.4520635692363302
Energy: -1.4701400431402414
Energy: -0.6940137462928466
Energy: -1.0845622235277659
Energy: -1.4497587561718857
Energy: -1.5145245484572893
Energy: -1.462530672909967
Energy: -0.8934775890130405
Energy: -1.7425511130593148
Energy: -1.544989787601273
Energy: -1.7073013933213685
Energy: -0.8498242761141664
Energy: 0.25807389130881114
Energy: -0.8916464964168442
Energy: 0.2580738913013295
Energy: -0.9657002246801979
Energy: -0.27886343682714637
Energy: -1.0736547058905834
Energy: -0.2775711668942098
Energy: -1.3096422901047073
Energy: -1.2272078085131297
Energy: -1.2049985775638645
Energy: -1.3506682952107891
Energy: -1.1386195103545325
Energy: 0.7549053998058005
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Energy: 0.7549053998076709
Energy: -0.925607670816879
Energy: -1.3334694457495184
Energy: -0.7828580932770951
Energy: -1.3334092838342968
Energy: -1.4417426583613742
Energy: -1.3342677416722353
Energy: -1.0628921117903982
Energy: -1.3341943056860266
Energy: -1.4624210604851307
Energy: -0.7034875884935581
Energy: -0.9350446813456583
Energy: -0.7034875916849554
Energy: -1.7285470216733907
Energy: -1.6186579186149501
Energy: -0.6623229146717492
Energy: -1.6188310913587447
Energy: -0.7837337094335097
Energy: -0.854303629185427
Energy: -0.8936742887536508
Energy: -0.8543039126790714
Energy: -0.985469497532856
Energy: -0.8562401367180603
Energy: -0.9983117645952599
Energy: -0.8562418884459504
Energy: -1.2634797985953397
Energy: -0.6756311289490856
Energy: -0.7250807380755823
Energy: -0.6756311289481503
Energy: -1.3174566306746138
Energy: 0.07418825039409588
Energy: -0.9849436471692337
Energy: 0.07415090095874127
Energy: -1.4803753480586763
Energy: 0.26118250014196265
Energy: -0.9060120216833025
Energy: 0.26118251907711937
Energy: -0.9371335538708284
Energy: 0.41405731151902475
Energy: -0.8378899574445833
Energy: 0.41405731143489855
Energy: -1.0838307584675488
Energy: -0.8643971104136466
Energy: -1.0335532747729588
Energy: -0.8144401135378548
Energy: -1.0668955581156743
Energy: -0.2792595120263678
Energy: -1.28776053331415
Energy: -0.27925951201982135
Energy: -0.972671322926618
Energy: -1.3174833677222306
Energy: -1.3497996162655195
Energy: -1.3212715464889366
Energy: -0.8078254851617012
Energy: -1.4618798695881927
Energy: -1.2399031302532637
Energy: -1.4701109932684484
Energy: -1.1797996904765526
Energy: -0.0007595599328668325
Energy: -0.5766007380649336
Energy: -0.0007595599422189127
Energy: -0.7483001996917248
Energy: -0.9065639171876075
Energy: -1.3787104108222492
Energy: -0.9065639555935827
Energy: -0.5859962756303745
Energy: -1.4738736812859963
Energy: -1.6484458934479433
Energy: -1.4534300528740793
Energy: -0.9329212088107892
Energy: -1.4238717823350646
Energy: -0.9355655174703932
Energy: -1.4238717824444413
Energy: 0.29451680197388524
Energy: -0.7830305187822884
Energy: -1.7439901872706571
Energy: -0.7830304995666968

minimum gb energy = -1.7439901872706571 eV
minimum distance =  2.2447252068429 Angstroms
sigma value = 41


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

Energy: -0.9506819324417345
Energy: -2.4524418480895624
Energy: -2.268847530718769
Energy: -1.2192580260572008
Energy: -1.403348763548107
Energy: -1.8462126686992288
Energy: -1.7524472529725892
Energy: -1.753746902242131
Energy: -1.3221630605815051
Energy: -2.043034462294783
Energy: -1.94438906679564
Energy: -2.03467960496539
Energy: -1.376965245872715
Energy: -0.5076530748152033
Energy: -1.6260699500962639
Energy: -0.5118446295999298
Energy: -1.370826573170793
Energy: -1.9077017524212436
Energy: -1.8498697540776687
Energy: -1.1855864988069438
Energy: -1.4133143450748118
Energy: -0.5075475400798123
Energy: -1.6583798430310703
Energy: -0.5074066773500268
Energy: -1.4866073912522129
Energy: 0.5905228113854489
Energy: -1.3766437419970687
Energy: 0.5905228113854489
Energy: -1.558384730029456
Energy: -1.1001282931803915
Energy: -1.579623427131723
Energy: -0.5086001650898672
Energy: -1.768203370762412
Energy: -1.4889333418389161
Energy: -1.5920834139003117
Energy: -1.4580315623630542
Energy: -1.9756037824305115
Energy: 0.20214095377054253
Energy: -1.5391158216804561
Energy: 0.20214095376900912
Energy: -1.2462229884708615
Energy: -0.4337632676290158
Energy: -1.2026202429144977
Energy: -0.43579662912713046
Energy: -1.9756425453493558
Energy: 0.43912011086420055
Energy: -1.5277055633778194
Energy: 0.4391201108619004
Energy: -1.8897969541026582
Energy: -2.0896382604302883
Energy: -1.2002376289375445
Energy: -2.0896382600800383
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Energy: -1.809381700082772
Energy: -1.0051744274212757
Energy: -1.7955254096995574
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Energy: -2.221276002546379
Energy: -1.4972075983746909
Energy: -2.221275992029388
Energy: -1.0126666991467776
Energy: -1.8388056090502065
Energy: -1.075638563125331
Energy: -1.838805609089309
Energy: -1.43664315537158
Energy: -1.9369053429672374
Energy: -1.5888554470964849
Energy: -1.9368051585990451
Energy: -2.0117604839077408
Energy: -2.313800802154013
Energy: -1.3583226842467413
Energy: -2.2591858528389785
Energy: -1.9338498007231697
Energy: -1.8098593785057673
Energy: -1.0897825566024464
Energy: -1.809465397455699
Energy: -1.6461850135385059
Energy: 0.1390342885820212
Energy: -1.120537605457778
Energy: 0.13903428821413633
Energy: -1.0789673799937083
Energy: -0.2101483949740001
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Energy: -0.21014841598881365
Energy: -1.6829257615479163
Energy: 0.6021742006299751
Energy: -1.7584251425599438
Energy: 0.6021742006307419
Energy: -1.6098683868982184
Energy: -1.8654791948026141
Energy: -1.5991772603724557
Energy: -1.5838986520149787
Energy: -1.5591370885397993
Energy: -0.7532394322096937
Energy: -1.5891945585733718
Energy: -1.6141878166159602
Energy: -1.5029737225173803
Energy: -1.6879409726671963
Energy: -1.77720349758188
Energy: -1.7324500084940821
Energy: -1.2290494759043626
Energy: -1.8810569081478243
Energy: -1.8804295358262422
Energy: -1.8656759564522696
Energy: -1.2473759298941285
Energy: -0.9327287508040946
Energy: -1.8135627225490265
Energy: -1.012083416424345
Energy: -1.4282098349441763
Energy: 0.1226585366729373
Energy: -0.9997317283064109
Energy: 0.12265853668060446
Energy: -0.8859152139909507
Energy: -1.8104396477033626
Energy: -1.6407433678052423
Energy: -1.8104396524395843
Energy: -1.0911356146775262
Energy: -1.7615198440562159
Energy: -1.9973754605485163
Energy: -1.7615198521246254
Energy: -1.2734951615701682
Energy: -2.3744359763619554
Energy: -2.2950858392846922
Energy: -2.3740755251953876
Energy: -1.5391010576905195
Energy: -2.0776579783944444
Energy: -1.9447334568816477
Energy: -2.0776579681801675

minimum gb energy = -2.4524418480895624 eV
minimum distance =  2.23796340549973 Angstroms
sigma value = 15


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

Energy: -1.7213939843280492
Energy: -1.7111036387022789
Energy: -2.161244194821877
Energy: -2.0614831415648567
Energy: -1.9013131907755867
Energy: -2.647665878868842
Energy: -2.3429196260307386
Energy: -2.8203816402236948
Energy: -1.6673509063641012
Energy: -2.7516264209220362
Energy: -2.249085991852263
Energy: -2.751628270292074
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Energy: -1.6356830247623488
Energy: -2.1225142381847903
Energy: -1.4996700758713617
Energy: -2.3177072472310676
Energy: -1.816041602635987
Energy: -2.3210833522937686
Energy: -1.8911902378864798
Energy: -0.7139006844986312
Energy: -1.52201891294766
Energy: -0.998495969522916
Energy: -2.0349423258330743
Energy: 0.39013667420160225
Energy: -1.7331368740561752
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Energy: -1.8506783519259473
Energy: -1.1099034667209742
Energy: -2.0599540963865697
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Energy: -1.7927741443231273
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Energy: -2.0782360644542943
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Energy: -1.6183945867132878
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Energy: -1.3625696668822762
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Energy: -1.328889171464318
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Energy: -2.5172556519551277
Energy: -1.7101541685419626
Energy: -2.5172550050387863
Energy: -2.475902835419662
Energy: -2.696701495958461
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Energy: -2.696703819166858
Energy: -2.3114747172290055
Energy: -2.685499960680542
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Energy: -2.6861081637947337
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Energy: -1.0719801215359002
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Energy: -1.071980449603577
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Energy: -1.8730659073563647
Energy: 0.4984842480117151
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Energy: -1.982769669952116
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Energy: -1.9713383075496327
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Energy: -1.8553540528762353
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Energy: -1.7835625919802258
Energy: -2.585487809982504
Energy: -1.968081108867788
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Energy: -1.7407102609494542
Energy: -0.8563917527714039
Energy: -1.0961269863256025
Energy: -0.9771506527098051
Energy: -1.5154935992634275
Energy: -2.773636347252508
Energy: -2.364565136902986
Energy: -2.5747711931460953
Energy: -1.3721754476885593
Energy: -2.450890703449972
Energy: -1.587033502460639
Energy: -2.450890716753915
Energy: -1.7344267096906971
Energy: -2.8421616089189725
Energy: -2.5093214820825493
Energy: -2.829471046120807
Energy: -1.4108782839109957
Energy: -2.6575200161296917
Energy: -2.595252471442293
Energy: -2.6551270104214963

minimum gb energy = -2.8421616089189725 eV
minimum distance =  2.25526860726015 Angstroms
sigma value = 85


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

Energy: -0.25725315299064516
Energy: -1.573510831752812
Energy: -1.0447887053521876
Energy: -1.0155835329788165
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Energy: -0.5088257244407798
Energy: -1.1419970742983234
Energy: -0.850436615701621
Energy: -1.1419970680132534
Energy: -0.6207127559400878
Energy: -0.9793852253628159
Energy: -0.8114721157027641
Energy: -0.9792974391647975
Energy: -0.6352879221881143
Energy: -0.7220271320147811
Energy: -1.1196239246767556
Energy: -0.7219784420687134
Energy: -0.3271851956462869
Energy: -0.4545795761123683
Energy: -1.1037914582799966
Energy: -0.45458028815861945
Energy: -0.4470465285129777
Energy: -0.5510608380754494
Energy: -1.0952701242464633
Energy: -0.5510612421966392
Energy: -0.49722476356675205
Energy: -1.1027936999635943
Energy: -1.241462081236538
Energy: -1.1026330740389296
Energy: -0.13185126262437247
Energy: -1.396195819120081
Energy: -1.0239226752346584
Energy: -1.3961958184567629
Energy: -0.24706006989541993
Energy: -1.4747602279620404
Energy: -1.539438025542837
Energy: -1.4747602292993542
Energy: -0.4730246474738014
Energy: -1.2017239527612604
Energy: -1.2504398035374409
Energy: -1.2017239527483043
Energy: -0.49752813758519804
Energy: -1.4945091986971826
Energy: -1.4364420977725127
Energy: -1.494509198621159

minimum gb energy = -1.573510831752812 eV
minimum distance =  2.22328618164336 Angstroms
sigma value = 113


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

Energy: 0.017051583183885045
Energy: 0.25227204550707083
Energy: 1.2469083154664928
Energy: 0.01769489717150579
Energy: -2.881001139573404
Energy: -4.2579921246792285
Energy: -3.281247753694068
Energy: -2.685289884475835
Energy: -1.8349862270213089
Energy: -2.2645821565732085
Energy: -3.1677988444787375
Energy: -2.201443453744574
Energy: 0.018190551368177637
Energy: -1.445409740971726
Energy: -2.9028115657894364
Energy: -1.44559167553515
Energy: -3.3252566901800513
Energy: -2.451390322200447
Energy: -2.2838202159517342
Energy: -3.8944250434055765
Energy: -1.8762661426981335
Energy: -2.083573418395304
Energy: -3.2578944542231487
Energy: -2.142835644147197

minimum gb energy = -4.2579921246792285 eV
minimum distance =  2.41277857307527 Angstroms
sigma value = 1