Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.470587473106058
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.7920170894737597e-19, 3.95205705955512e-19, 5.75945649860418e-19, 6.653711386871279e-19, 7.40809625499018e-19, 8.05587228988272e-19, 8.618364462547439e-19, 9.110248710951778e-19, 9.542259618543539e-19, 9.9225202208571e-19, 1.0257343093830418e-18, 1.055183918092596e-18, 1.08101260760931e-18, 1.1035680502627618e-18, 1.1231370356704378e-18, 1.1399662990339738e-18, 1.1542721341989598e-18, 1.166238791478306e-18, 1.1760280907120459e-18, 1.183782625620606e-18, 1.1896321725113398e-18, 1.193688883748628e-18, 1.1960569008136799e-18, 1.1968259455979998e-18, 1.195999222454856e-18, 1.193331598359246e-18, 1.1885154553974418e-18, 1.1811502494109439e-18, 1.170779360059062e-18, 1.15686766034604e-18, 1.138767870911742e-18, 1.115693323028874e-18, 1.0866971303067419e-18, 1.0506145103324278e-18, 1.00602273025494e-18, 9.511577936002438e-19, 8.838247183797599e-19, 8.012613520764719e-19, 6.999637343918219e-19, 5.754409642207079e-19, 4.2187073167517397e-19, 2.31601041151236e-19, -5.556717067337819e-21, -3.03400984827312e-19, -6.80945897746242e-19, -1.16497467411408e-18, -1.7941173947532e-18, -2.6257111548645598e-18, -3.74768340812208e-18, -5.300513001794879e-18, -7.519912162277039e-18, -1.0826692582488659e-17, -1.60349041883988e-17, -2.48999077219842e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019530892794213925
Energy: 0.1374476537661838
Energy: 0.13837023743658666
Energy: 0.13900506372948004
Energy: 0.13850314911198083
Energy: 0.13764023238217565
Energy: 0.13796053131808184
Energy: 0.1387553777329152
Energy: 0.13833552647181807
Energy: 0.022713175722463088
Energy: 0.1385429396884451
Energy: 0.13795877693385025
Energy: 0.1377262399274937
Energy: 0.020316370952673028
Energy: 0.0210047168752955
Energy: 0.13822296350290092
Energy: 0.13821764902546807
Energy: 0.13793198713095203
Energy: 0.13772210649625155
Energy: 0.13768494576228651
Energy: 0.13812090306173985
Energy: 0.1378223281466842
Energy: 0.13718188017146268
Energy: 0.02000475863133849
Energy: 0.13918479995882152
Energy: 0.13750288907165598
Energy: 0.021537969105018432
Energy: 0.019996412033453127
Energy: 0.13883173539871246
Energy: 0.1396238322095584
Energy: 0.02125885989836362
Energy: 0.13947766194638056
Energy: 0.1377142624329317
Energy: 0.138377844454469
Energy: 0.13828559783211303
Energy: 0.1382740757857307
Energy: 0.020801150574119905
Energy: 0.020406715920546464
Energy: 0.13841731834531956
Energy: 0.020048533751742998
Energy: 0.021684726662366104
Energy: 0.138548114523732
Energy: 0.13851765312980335
Energy: 0.020786946964169564
Energy: 0.02005554975660816
Energy: 0.13759318460897463
Energy: 0.13849442720642596
Energy: 0.1385372558036619
Energy: 0.13771821621849714
Energy: 0.020034621043044
Energy: 0.13792873431724348
Energy: 0.13771119786426683
Energy: 0.1381349773966529
Energy: 0.0199907456746876
Energy: 0.019978002240986323
Energy: 0.1383642986046451
Energy: 0.020542793709252972
Energy: 0.02173259087698367
Energy: 0.1377077833619894
Energy: 0.13812601105815675
Energy: 0.01999223337871291
Energy: 0.1375626498058581
Energy: 0.13755583492528625
Energy: 0.1378214754915206
Energy: 0.13912697874973778
Energy: 0.13805598509786535
Energy: 0.020259618190664953
Energy: 0.021490252579578165
Energy: 0.13807717783931467
Energy: 0.13822419696956503

minimum gb energy = 0.019530892794213925 eV
minimum distance =  2.85858750828147 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.7670619497018354
Energy: 1.7113942944192064
Energy: 1.610399156036182
Energy: 1.658802532582275
Energy: 1.7407601169219022
Energy: 1.724781632626857
Energy: 1.6790497743622093
Energy: 1.6990247985972136
Energy: 1.605761662241655
Energy: 1.751275915087503
Energy: 1.6627171462541694
Energy: 1.6699850376036454
Energy: 1.7405412956032933
Energy: 1.6259809957628513
Energy: 1.7048536605368096
Energy: 1.610997139902796
Energy: 1.6825663315949646
Energy: 1.6994275617608887
Energy: 1.7214362746995542
Energy: 1.7340295583573375
Energy: 1.7109961793159676
Energy: 1.651828840969984
Energy: 1.7377400810899002
Energy: 1.697384866374163
Energy: 1.669258647485352
Energy: 1.7671246432743213
Energy: 1.6311867418341248
Energy: 1.661643534094911
Energy: 1.7340322041927978
Energy: 1.838485560807324
Energy: 1.842463901971672
Energy: 1.727206928513744
Energy: 1.7066080070129515
Energy: 1.6634083749280395
Energy: 1.6081803025336556
Energy: 1.6667411586008094
Energy: 1.7300010525019405
Energy: 1.7705181434752806
Energy: 1.6184850935425192
Energy: 1.795616286352118
Energy: 1.8428816465219418
Energy: 1.6685195675663387
Energy: 1.8229951621512068
Energy: 1.7024288706336463
Energy: 1.6800246447480245
Energy: 1.7210678059805753
Energy: 1.7017509955498977
Energy: 1.6835916549683492
Energy: 1.694283526764477
Energy: 1.656061362081739
Energy: 1.7368379370242752
Energy: 1.670028258452658
Energy: 1.6076340708898365
Energy: 1.6089080688731996
Energy: 1.779609656756148
Energy: 1.694936879550468
Energy: 1.7297156156248659
Energy: 1.615296950635316
Energy: 1.6233074662203193
Energy: 1.6616044110686632
Energy: 1.684679586554023
Energy: 1.608799314643285
Energy: 1.608808670311125
Energy: 1.60940647716966
Energy: 1.6882178679547464
Energy: 1.656526185700625
Energy: 1.621946131662093
Energy: 1.7350683179053086
Energy: 1.6533981589044768
Energy: 1.7066931834080485
Energy: 1.7251502567367214
Energy: 1.607755641020114
Energy: 1.673874091729529
Energy: 1.669998779564258
Energy: 1.5984460882908946
Energy: 1.5983460432076864
Energy: 1.596996001076273
Energy: 1.7475609890704469
Energy: 1.681821326219338
Energy: 1.609702383682256
Energy: 1.6111946537924215
Energy: 1.6973432746171138
Energy: 1.6036012310279795
Energy: 1.5954953967044956
Energy: 1.597924707073555
Energy: 1.6696678816947736
Energy: 1.664455748374783
Energy: 1.673400845664197
Energy: 1.662289342761278
Energy: 1.6100297359714406
Energy: 1.60825586013327
Energy: 1.642644449039251
Energy: 1.6129123582295937
Energy: 1.6232427590818785
Energy: 1.6893678821763336
Energy: 1.618898077555261
Energy: 1.611426049588653
Energy: 1.610641558685288
Energy: 1.6124586672069923
Energy: 1.733275369668013
Energy: 1.6506066108299724
Energy: 1.648274514736255
Energy: 1.6728535885548077
Energy: 1.6515177155916845
Energy: 1.7585086601046813
Energy: 1.6157014184484215
Energy: 1.6122264095798045
Energy: 1.666568129730384
Energy: 1.7120816982853837
Energy: 1.6573329100333634
Energy: 1.6490068167849583
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Energy: 1.7397008462433292
Energy: 1.6092878831517619
Energy: 1.6109701693900265
Energy: 1.6286782526116659
Energy: 1.713608320852512
Energy: 1.6901562106098724
Energy: 1.72341680005938
Energy: 1.6494912176018208
Energy: 1.6114131432748793
Energy: 1.6828290784614515
Energy: 1.7312486483213054
Energy: 1.715799498374625
Energy: 1.6129128773692478
Energy: 1.6992818375430185
Energy: 1.613194347480453
Energy: 1.73708313021629
Energy: 1.6967397489771148
Energy: 1.7667079084812807
Energy: 1.6500090169522479
Energy: 1.7238536477476278
Energy: 1.7707859955858052
Energy: 1.7131227636992452
Energy: 1.6913805006189364
Energy: 1.6989834185797137
Energy: 1.7500340489890671
Energy: 1.6531031774157534
Energy: 1.6365942952366048
Energy: 1.9131226006989668
Energy: 1.7164391904948408
Energy: 1.6678982961113737
Energy: 1.6812781490777173
Energy: 1.6207340085217352
Energy: 1.6811716904279905
Energy: 1.7538389716615181
Energy: 1.737617605374817
Energy: 1.6101751819537844
Energy: 1.6435877189966712
Energy: 1.7181650456674402
Energy: 1.6876775201947496
Energy: 1.741181379856893
Energy: 1.6807996081412322
Energy: 1.7282455385715045
Energy: 1.7494622869035699
Energy: 1.6979407548440608
Energy: 1.6632524787280272
Energy: 1.7941116613327477
Energy: 1.625368509480686
Energy: 1.7037806511159852
Energy: 1.702244541927721
Energy: 1.6302978177546381
Energy: 1.6728977272336099
Energy: 1.7376921384490442
Energy: 1.7497521211822817
Energy: 1.6887741450871874
Energy: 1.6529817817049663
Energy: 1.7153908753595004
Energy: 1.6976455405367235
Energy: 1.6137025466568564
Energy: 1.663293190264235
Energy: 1.6622198420918057
Energy: 1.7732994823523403
Energy: 1.7145616573080382
Energy: 1.7508957263317622
Energy: 1.607244721452447
Energy: 1.6510855739130383
Energy: 1.7142963074395825
Energy: 1.71256913422763
Energy: 1.6081038126711127
Energy: 1.7142021196502453
Energy: 1.6833127313650402
Energy: 1.7366232157707384
Energy: 1.6358669100399899
Energy: 1.6572566040222274
Energy: 1.7080171781020066
Energy: 1.7516883587021748
Energy: 1.914158854925129
Energy: 1.8225626036326001
Energy: 1.6551373304379327
Energy: 1.6485657064417327
Energy: 1.7105216009112871
Energy: 1.6142505938942706
Energy: 1.6183438256486515
Energy: 1.6215592241153878
Energy: 1.7196748315331811
Energy: 1.6821277749562644
Energy: 1.7112856424690062
Energy: 1.6265591364553722
Energy: 1.8013273096604203
Energy: 1.6516747903915745
Energy: 1.622437812794882
Energy: 1.8005922105379752
Energy: 1.6533797375607016
Energy: 1.6909217467615951
Energy: 1.6770997076848793
Energy: 1.6459439150868227
Energy: 1.6098408698392945
Energy: 1.610990881952798
Energy: 1.7103000544678681
Energy: 1.6780187002405142
Energy: 1.594411131344036
Energy: 1.7387974438869636
Energy: 1.6702939928858993
Energy: 1.610337870672852
Energy: 1.685590799242025
Energy: 1.6137668528867672
Energy: 1.6777515048680174
Energy: 1.6580106741403173
Energy: 1.6479741418761527
Energy: 1.6683182938624632
Energy: 1.6741698575295296
Energy: 1.7434482181005497
Energy: 1.683188140640949
Energy: 1.6138150976241168
Energy: 1.6819452898210956
Energy: 1.6840040491436399
Energy: 1.6006681696140892
Energy: 1.6175440054612822
Energy: 1.5947621973626185
Energy: 1.6686992359791868
Energy: 1.612215321234074
Energy: 1.6114592405404409
Energy: 1.6108323222321925
Energy: 1.7221848518250957
Energy: 1.6104100268176704
Energy: 1.679371649810897
Energy: 1.5966004947284955
Energy: 1.6078837673445077
Energy: 1.691278677928065
Energy: 1.6348329499891407
Energy: 1.6101305290170607
Energy: 1.6877757429664653
Energy: 1.6635787788074097
Energy: 1.6641242825686862
Energy: 1.6447501984286648
Energy: 1.6423996821595352
Energy: 1.789216658261755
Energy: 1.6447997854484093
Energy: 1.7733845985086005
Energy: 1.7640128298241307
Energy: 1.7210407962632148
Energy: 1.6687949897724046
Energy: 1.6634416623980266
Energy: 1.6586785899242786
Energy: 1.646961488173169
Energy: 1.6052529766274346
Energy: 1.6794288926131449
Energy: 1.668644092058966
Energy: 1.6816412619123733
Energy: 1.712343592711715
Energy: 1.7943429224333096
Energy: 1.7293557288725272
Energy: 1.697123483786795
Energy: 1.728867298221846
Energy: 1.7034172829321057
Energy: 1.6993020862799655
Energy: 1.6788088442802989
Energy: 1.6679970510847946
Energy: 1.6096407478095542
Energy: 1.663072947117313
Energy: 1.7346342139918716
Energy: 1.6463461846291654
Energy: 1.6562259717507701
Energy: 1.8034794363330116
Energy: 1.6524441693655882
Energy: 1.829134525925528
Energy: 1.723049270597775
Energy: 1.7383735945574128
Energy: 1.6626866465073897
Energy: 1.8387777678150132
Energy: 1.7114427788930917
Energy: 1.6442508554405204
Energy: 1.6587333225861631
Energy: 1.8601040141398997
Energy: 1.7309615397129379
Energy: 1.7122232921512148
Energy: 1.721646818664249
Energy: 1.8016607131537938
Energy: 1.6272868862556988

minimum gb energy = 1.594411131344036 eV
minimum distance =  2.57537127715077 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.9104584816607326
Energy: 1.775786755884487
Energy: 1.675126375970616
Energy: 1.59192915499266
Energy: 1.7102459726088566
Energy: 1.682978849443312
Energy: 1.6675563628837118
Energy: 1.6649360456771143
Energy: 1.743891282209921
Energy: 1.7875052866647179
Energy: 1.6006571713525455
Energy: 1.6710396307886057
Energy: 1.7088348312390893
Energy: 1.6690564399945282
Energy: 1.7911794580526967
Energy: 1.6766168419020577
Energy: 1.6146158767043202
Energy: 1.6045252435190434
Energy: 1.667976449013689
Energy: 1.702466029905736
Energy: 1.7050460881205234
Energy: 1.7102532947843494
Energy: 1.7130236085721693
Energy: 1.6458699685888158
Energy: 1.6437832189657855
Energy: 1.860494478672236
Energy: 1.692582483904615
Energy: 1.7561807088146615
Energy: 1.9036445519456704
Energy: 1.6667913592256673
Energy: 1.8224182030310285
Energy: 1.7092451881532578
Energy: 1.9038105505532226
Energy: 1.7550415646839321
Energy: 1.6918971224046429
Energy: 1.6992313095086033
Energy: 1.6612795836846186
Energy: 1.6800793542893784
Energy: 1.7088367861830691
Energy: 1.7555078130295025
Energy: 1.6705335998080688
Energy: 1.6671060263157234
Energy: 1.66725725423477
Energy: 1.7451738710660158
Energy: 1.6727534980743286
Energy: 1.6673484966618903
Energy: 1.605946175354034
Energy: 1.7353106765034052
Energy: 1.6649571619248045
Energy: 1.7089099625334656
Energy: 1.629764719090227
Energy: 1.7772785474397468
Energy: 1.6720233002588618
Energy: 1.665202115145191
Energy: 1.7448741638158518
Energy: 1.6973619701708187
Energy: 1.6824657589694256
Energy: 1.630259233202151
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Energy: 1.6006145599729598
Energy: 1.716468383387569
Energy: 1.7496864808204762
Energy: 1.728916831898451
Energy: 1.732511555545763
Energy: 1.6296100657497097
Energy: 1.5966361981379813
Energy: 1.6308176691956224
Energy: 1.7118933077397553
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Energy: 1.7405623671964277
Energy: 1.7023864683668424
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Energy: 1.796261073537377
Energy: 1.7656363252722147
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Energy: 1.670407021768263
Energy: 1.7692888302565266
Energy: 1.604915201252619
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Energy: 1.7028405827367386
Energy: 1.7598366493631286
Energy: 1.7224065758491522
Energy: 1.759837974302002
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Energy: 1.5947270833620564
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Energy: 1.6845484102181423
Energy: 1.6269848297431428
Energy: 1.902716003873662
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Energy: 1.7224640157709574
Energy: 1.761200941074372
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Energy: 1.69259732621701
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Energy: 1.7506973862967556
Energy: 1.6882493591102612
Energy: 1.6141572090229706
Energy: 1.7373693057114001
Energy: 1.700054505460044
Energy: 1.659960993815449
Energy: 1.6948046917497699
Energy: 1.7612824167235877
Energy: 1.753813877858711
Energy: 1.5948159675579014
Energy: 1.68738436463467
Energy: 1.7241671470509963
Energy: 1.6280663586485085
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Energy: 1.728536352594972
Energy: 1.6804751070529929
Energy: 1.690602048347059
Energy: 1.7538465528039997
Energy: 1.7530499446953214
Energy: 1.6206169358284401
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Energy: 1.7526882688873173
Energy: 1.68063156716257
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Energy: 1.7688485140270884
Energy: 1.7569622795816557
Energy: 1.753139959755577
Energy: 1.7305386125102682
Energy: 1.7520575587474227
Energy: 1.9515271978904032
Energy: 1.9423499031261937
Energy: 1.7513992478569536
Energy: 1.748664689422192
Energy: 1.7334641010153324
Energy: 1.6906593064718676
Energy: 1.6525996172483588
Energy: 1.671322744984825
Energy: 1.676012681413782
Energy: 1.6235590349517497
Energy: 1.7543546660944502
Energy: 1.6940339480598037
Energy: 1.6932362478321905
Energy: 1.6920679100934737
Energy: 1.692656138589035
Energy: 1.6960102242007669
Energy: 1.6914773756929935
Energy: 1.6755032034723736
Energy: 1.6685749632986668
Energy: 1.632871640086118
Energy: 1.7001664695011482
Energy: 1.7524790827922436
Energy: 1.6504209269546364
Energy: 1.6813723265648644
Energy: 1.750225951792391
Energy: 1.6158205550337723
Energy: 1.6785748675826455
Energy: 1.6214279994368632
Energy: 1.6818700176840113
Energy: 1.6756541414233763
Energy: 1.7137183308547426
Energy: 1.7149761342212637
Energy: 1.7120494880457295
Energy: 1.6929424863404423
Energy: 1.587410137883287
Energy: 1.6198885455352954
Energy: 1.6327370565564496
Energy: 1.715372613154879
Energy: 1.6123035374654449
Energy: 1.713938071258853
Energy: 1.715516878788413
Energy: 1.5934097691700928
Energy: 1.7543546450971859
Energy: 1.7515426028002377
Energy: 1.8135027711223093
Energy: 1.7878309353408652
Energy: 1.7517564704387314
Energy: 1.647000016380964
Energy: 1.6419798595296697
Energy: 1.6284251281262379
Energy: 1.683985638065636
Energy: 1.5865602140920891
Energy: 1.7505019682213447
Energy: 1.761884140116925
Energy: 1.7138714134039135
Energy: 1.7666274822598889
Energy: 1.8479873825227944
Energy: 1.7381095194202245
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minimum gb energy = 1.5832434848874237 eV
minimum distance =  2.56740187143582 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.6467879905189573
Energy: 1.6319564230063501
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Energy: 1.7745167333724723
Energy: 1.702456321411617
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Energy: 1.6254448065429936
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Energy: 1.5817672555473234
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Energy: 1.7034854701308932
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Energy: 1.8610639521251104
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Energy: 1.6981219657470181
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Energy: 1.6924955287416745
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Energy: 1.621042814270507
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Energy: 1.7270677994976456
Energy: 1.6360344855711588
Energy: 1.5479593238125735
Energy: 1.4436252839817343
Energy: 1.5765756855515578
Energy: 1.4737595814285889
Energy: 1.6121412608392958
Energy: 1.5860539132582943
Energy: 1.687407354531732
Energy: 1.6004509573974857
Energy: 1.7750158924080448
Energy: 1.643535375536677
Energy: 1.7135966068501556
Energy: 1.6775413605537617
Energy: 1.8617196958779025
Energy: 1.654586372441927
Energy: 1.6183148804753247
Energy: 1.70118078169225
Energy: 1.9736388004349639
Energy: 1.84684301450822
Energy: 1.575608711903901
Energy: 1.8614960401325804
Energy: 1.5855480047418757
Energy: 1.860543663219676
Energy: 1.5752020109070868
Energy: 1.6489602667369345
Energy: 1.6932053785438064
Energy: 1.60071582841811
Energy: 1.528240642229363
Energy: 1.550403898103608
Energy: 1.634643524718401
Energy: 1.7140410848447076
Energy: 1.6257151764618114
Energy: 1.5995885374428358
Energy: 1.6000966417840672
Energy: 1.6379486967137658
Energy: 1.600421311104906
Energy: 1.60026301436873
Energy: 1.527429159662007
Energy: 1.6620726471261933
Energy: 1.5145858191967172
Energy: 1.646166143976748
Energy: 1.5554808604516284
Energy: 1.5257640989768082
Energy: 1.6641974396299255
Energy: 1.6443931923679687
Energy: 1.561983792132875
Energy: 1.6351789531002277
Energy: 1.6940364334016487
Energy: 1.645013610133549
Energy: 1.6697314797725789
Energy: 1.6299417490826098
Energy: 1.8442348527279908
Energy: 1.786854451492938
Energy: 1.6056205119838727
Energy: 1.6108573230735923
Energy: 1.5756750229625187
Energy: 1.594611589827549
Energy: 1.5582460072107576
Energy: 1.6483084101441885
Energy: 1.6463823562826125
Energy: 1.8439251232664997
Energy: 1.6903717520896384
Energy: 1.6847224250129054
Energy: 1.5589050727191875
Energy: 1.8693605778494642
Energy: 1.6006415798231037
Energy: 1.4390352242791182
Energy: 1.474273122624487
Energy: 1.6068630297797413
Energy: 1.6001797145107242
Energy: 1.4753622665101054
Energy: 1.4772388045950526
Energy: 1.6194959350977443
Energy: 1.5507997468452401
Energy: 1.5577421800659548
Energy: 1.5720224539435088
Energy: 1.6012165606273183
Energy: 1.6103488252432132
Energy: 1.575479233798449

minimum gb energy = 1.4390352242791182 eV
minimum distance =  2.56230300319382 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.8303383843124392
Energy: 1.6016788405682032
Energy: 1.6052432386274151
Energy: 1.6487361249421033
Energy: 1.6168858591934494
Energy: 1.6050598608470523
Energy: 1.606498702445847
Energy: 1.6067883660416264
Energy: 1.6057404709901437
Energy: 1.6343205254366948
Energy: 1.6291808661146454
Energy: 1.6052018935041454
Energy: 1.7056227136936504
Energy: 1.6347565775671598
Energy: 1.5940411076375343
Energy: 1.6068243372871842
Energy: 1.6059051904620791
Energy: 1.6066478535201392
Energy: 1.6077728973978775
Energy: 1.6178749759253104
Energy: 1.6281412452774537
Energy: 1.6450999769489159
Energy: 1.6162000321346495
Energy: 1.6933034220013927
Energy: 1.618610192741251
Energy: 1.705212205673923
Energy: 1.6036162190796364
Energy: 1.6139228410560778
Energy: 1.7030203547629876
Energy: 1.6146496307317815
Energy: 1.6890103503950893
Energy: 1.721113480186023
Energy: 1.705103346038827
Energy: 1.6245818491405628
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Energy: 1.6198954590828583
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Energy: 1.6186333449729813
Energy: 1.6300709608286077
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Energy: 1.6056009949850452
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Energy: 1.602189199993352
Energy: 1.6117379236533487
Energy: 1.6169099905160498
Energy: 1.6278354634971344
Energy: 1.6460909303818314
Energy: 1.6126236011810309
Energy: 1.6456604320633303
Energy: 1.6111079539148792
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Energy: 1.6282733303437806
Energy: 1.6397236787322798
Energy: 1.6171128276750528
Energy: 1.6073777562882532
Energy: 1.606350446488321
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Energy: 1.6380627979461644
Energy: 1.5760197456081093
Energy: 1.6127207810504742
Energy: 2.029366524686078
Energy: 1.6125700814155706
Energy: 1.6047163830572138
Energy: 1.612310617679491
Energy: 1.5986158101243668
Energy: 1.6060134574661802
Energy: 1.6150757976308852
Energy: 1.6325693091157394
Energy: 1.6274469495614354
Energy: 1.6277433235582988
Energy: 1.6355388210971595
Energy: 1.5995508356578287
Energy: 1.6072609446256316
Energy: 1.6061602059532287
Energy: 1.6073136391170357
Energy: 1.612395369552717
Energy: 1.6400317452729405
Energy: 1.6160820645114793
Energy: 1.6416156830465387
Energy: 1.644918958314543
Energy: 1.6264653443128987
Energy: 1.6914428541070932
Energy: 1.629229374206345
Energy: 1.6029993241440745
Energy: 1.6074102168543876
Energy: 1.6033918939449885
Energy: 1.6278132338836164
Energy: 1.6446104840278257
Energy: 1.6154340031666348
Energy: 1.6182611529797926
Energy: 1.6144662715312121
Energy: 1.623318582280673
Energy: 1.606870499488691
Energy: 1.6020723041194411
Energy: 1.6091368520240021
Energy: 1.6165924425155827
Energy: 1.616965301608728
Energy: 1.6454480451594449
Energy: 1.6268611796352375
Energy: 1.615665253072212
Energy: 1.6097799740814562
Energy: 1.6065808967847024
Energy: 1.605567185498903
Energy: 1.626925890206846
Energy: 1.6136855672145984
Energy: 1.7055005515938506
Energy: 1.5972511814704426
Energy: 1.6164594481149028
Energy: 1.717408598952431
Energy: 1.6196661378715995
Energy: 1.6063406277594616
Energy: 1.6073043743937576
Energy: 1.6071934043931835
Energy: 1.601086954266312
Energy: 1.617766893054392
Energy: 1.648153452138003
Energy: 1.646348177261501
Energy: 1.6148548660925337
Energy: 1.7020983749174092
Energy: 1.8254755678294206
Energy: 1.6001245537477802
Energy: 1.7026945949859549
Energy: 1.5988777841943798

minimum gb energy = 1.5760197456081093 eV
minimum distance =  2.5966798965371 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 3.7820700105622915
Energy: 1.6198538809095513
Energy: 1.757731458884036
Energy: 1.6903912812847657
Energy: 1.5360371220084486
Energy: 1.7515294766279095
Energy: 1.7471705606431835
Energy: 1.542301713673254
Energy: 1.7281012498406174
Energy: 1.8607673094185802
Energy: 1.5462722329816094
Energy: 1.8666839947161
Energy: 1.8880878591348147
Energy: 1.8505022939133653
Energy: 1.6324593731168089
Energy: 1.9474209494019767
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Energy: 1.5891771545699027
Energy: 1.5513702507842928
Energy: 1.751011815536175
Energy: 1.538901226349846
Energy: 1.5367972565972121
Energy: 1.7315269211538824
Energy: 1.6247438716949758
Energy: 1.9045766311495456
Energy: 1.6226686628787177
Energy: 1.6195386805823115
Energy: 1.6073332059334222
Energy: 1.6110153534798226
Energy: 1.5643020540784949
Energy: 1.5742454256325316
Energy: 1.5085389234859956
Energy: 1.6490259126049664
Energy: 1.5755057868014721
Energy: 1.7451966062301973
Energy: 1.678265111407667
Energy: 1.902650256104496
Energy: 1.569372484210392
Energy: 1.5506358284866006
Energy: 1.536330314254553
Energy: 1.565300785034042
Energy: 1.5131326343959461
Energy: 1.5640834258138612
Energy: 1.513862499063472
Energy: 1.490453731977949
Energy: 1.6895126780004774
Energy: 1.6780234981220792
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Energy: 1.5378660080927726
Energy: 1.4871706093397052
Energy: 1.4877085692372403
Energy: 1.5587178689317076
Energy: 1.664840375205635
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Energy: 1.6090552353440892
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Energy: 1.6063436540456264
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Energy: 1.6784841425386845
Energy: 1.6160914813289196
Energy: 1.4901252836200456
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Energy: 1.5594372159700072
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Energy: 1.5596856240209012
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Energy: 1.685603039185779
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Energy: 2.007529510151169
Energy: 1.649442001338763
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Energy: 1.5606193332515996
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Energy: 1.6851201992057694
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Energy: 1.586159478191955
Energy: 1.5493613663860037
Energy: 1.5688810410053207
Energy: 1.5621551201142587
Energy: 1.5662334304076906
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Energy: 1.6458833773458863
Energy: 1.5450607015467217
Energy: 1.5434773461644615
Energy: 1.6478337156669987
Energy: 2.0191407176425797
Energy: 1.5299516956288846
Energy: 1.5614937552727115
Energy: 1.6501111783246667
Energy: 1.7381511850582674
Energy: 1.5947300314239254
Energy: 1.6428631380794978
Energy: 1.6325680457453446
Energy: 1.7640748432168074
Energy: 1.5057101000019213
Energy: 1.58738140311775
Energy: 1.4734338012981572
Energy: 1.8279590339736655
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Energy: 1.6227186464749326
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Energy: 1.7491286047599954
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Energy: 1.7603841507955635
Energy: 1.69853026454151
Energy: 1.5624973281712373
Energy: 1.561050148306844
Energy: 1.744674904211051
Energy: 1.9101126324873587
Energy: 1.7807205543760989
Energy: 1.904459047406066
Energy: 2.0246736094383424
Energy: 1.9473699444029586
Energy: 1.7781764873720474
Energy: 1.8293589323813635
Energy: 1.5946721458181765
Energy: 1.5939061551350293
Energy: 1.7625835564232009
Energy: 1.5507896581313618
Energy: 1.609768988454762
Energy: 1.701604786403091
Energy: 1.630816668044937
Energy: 1.638003585546192
Energy: 1.7460903559695182
Energy: 1.894672983789552
Energy: 1.6016451004734031
Energy: 1.5895066137986242
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Energy: 1.5955497691184874
Energy: 1.5451352945244536
Energy: 1.5723318992966053
Energy: 1.6393891709150863
Energy: 1.7267331221492028
Energy: 1.5475015005017323
Energy: 1.806802902156388
Energy: 1.761314771597787
Energy: 1.7518772185738694
Energy: 1.5780281902610864
Energy: 1.5881683562592204
Energy: 1.5184794941177948
Energy: 1.5638085551601775
Energy: 1.6930683878534756
Energy: 1.4997021140755542
Energy: 1.6254349180245742
Energy: 1.547633472727054
Energy: 1.7589004956347825
Energy: 1.774196465969656
Energy: 1.6998298552140254
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Energy: 1.4984786357328528
Energy: 1.4990314997977765
Energy: 1.5882641202446264
Energy: 1.6791409428313073
Energy: 1.5465176315982454
Energy: 1.7627536315176207
Energy: 1.546834238407443
Energy: 1.5528486277698217
Energy: 2.0895326464462154
Energy: 1.4456823759822002
Energy: 1.594397580143193
Energy: 1.5966755560675971
Energy: 1.5566960310303533
Energy: 1.5496588144864454
Energy: 1.682793840746023
Energy: 1.7739670705554766
Energy: 1.7322916116284452
Energy: 1.5020390314993015
Energy: 1.4978733509634135
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Energy: 1.8578753403022212
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Energy: 1.7285464567107238
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Energy: 1.5776357829813543
Energy: 1.5758845395865404
Energy: 1.5884616092591388
Energy: 1.575364482951486
Energy: 1.62030092151973
Energy: 1.6333929519268076
Energy: 1.6271569743387697
Energy: 1.635345277778689
Energy: 1.5467719858441678
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Energy: 1.564980803104057
Energy: 1.6020421872672919
Energy: 1.60604298669295
Energy: 1.5586343118970876
Energy: 1.8504589379811174
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Energy: 1.955019851539707
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Energy: 1.4755049642646525
Energy: 1.7085826194199982
Energy: 1.7399864303076467
Energy: 1.6430421170254719
Energy: 1.536628895915074
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Energy: 1.5922639048503748
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Energy: 1.893786926972511
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Energy: 1.581260281052723
Energy: 1.5238758239731924
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Energy: 1.644843439166591
Energy: 1.7620031571792591
Energy: 1.7554797744952486
Energy: 1.536401209300487
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Energy: 1.4932575392525869
Energy: 1.5634638672110086
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Energy: 1.5442396194572352
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Energy: 1.5233784749424135
Energy: 1.5406250312624161
Energy: 1.7060423133757971
Energy: 1.5337223549046242
Energy: 1.4859018684673704
Energy: 1.491680540843893
Energy: 1.6326235975168608
Energy: 1.5519429934095532
Energy: 1.5505421265858497
Energy: 1.7522594375412983
Energy: 1.7551995206275146
Energy: 1.6355084548997418
Energy: 1.8321720494417981
Energy: 2.09233786475587
Energy: 1.4907299176629276
Energy: 1.835686873610944
Energy: 1.895746928760528
Energy: 1.5872676481017727
Energy: 1.7527454919040768
Energy: 1.663582520048862
Energy: 1.742658600982342
Energy: 1.6904021934343931
Energy: 1.4858029676569686
Energy: 1.5155682927070766
Energy: 1.5998262255582785
Energy: 1.8438039130167712
Energy: 1.5508645265006322
Energy: 1.6139837941478459
Energy: 1.605953004730118
Energy: 1.9001857427842892
Energy: 1.5823174167267045
Energy: 1.5225011157562272
Energy: 1.4858134399244995
Energy: 1.5411409531247373
Energy: 1.74748163402749
Energy: 1.5568526626826042
Energy: 1.5530780851598904
Energy: 1.5900914664820232
Energy: 1.6727517847109035
Energy: 1.6352745289485762
Energy: 1.7311672671329301
Energy: 1.917391695067548
Energy: 1.538849079659305
Energy: 1.5524885282199776
Energy: 1.5603628035191597
Energy: 1.5582141772389233
Energy: 1.52871942606018
Energy: 1.5876498888347095
Energy: 1.5929789303363397
Energy: 1.7336157520418012
Energy: 1.790752276649846
Energy: 1.72278085279622
Energy: 1.780289991797153
Energy: 1.7511424786448744
Energy: 1.5502935422313997
Energy: 1.5529265158348
Energy: 1.589293735581305
Energy: 1.5864418459924385
Energy: 1.7352566187578713
Energy: 1.5918132161944194
Energy: 1.7081473602911468
Energy: 1.5469046163930382
Energy: 1.8753033437410003
Energy: 1.7508381105431678
Energy: 1.5535399933726
Energy: 1.5403380028435616
Energy: 1.7594729144819947
Energy: 1.6758207759889212
Energy: 1.6379589716718213
Energy: 1.5364311707760099
Energy: 1.537628408190505
Energy: 1.8727966854122764
Energy: 1.5470402627786282
Energy: 1.7584283761902313
Energy: 1.9073813944174547

minimum gb energy = 1.4453896053372903 eV
minimum distance =  2.56097742398272 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 3.2834542781346037
Energy: 1.7227043085152887
Energy: 1.8444545941853139
Energy: 1.7046915971174552
Energy: 1.7056643710325163
Energy: 1.8617267630669128
Energy: 1.8626977410143173
Energy: 1.7519681527020914
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Energy: 1.7068424869343848
Energy: 1.8597035185895157
Energy: 1.7071690498939482
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Energy: 1.7058760899982124
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Energy: 1.7250741540033767
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Energy: 1.7487039453025448
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Energy: 1.4955143455753506
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Energy: 1.5392407883034145
Energy: 1.6624408691161556
Energy: 1.4964430673038
Energy: 1.7049409490000909
Energy: 1.7520121998875442
Energy: 1.8599989182506527
Energy: 1.859896579232469
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Energy: 1.7042988793869798
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Energy: 1.7056584947351803
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Energy: 1.4898010096069143
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Energy: 1.8482614667161923
Energy: 1.8468662924880146
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Energy: 1.8624220234162874
Energy: 1.8610345160785686
Energy: 1.8617417968495713
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Energy: 1.8435335213491872
Energy: 1.492938484679025
Energy: 1.7212489292290485
Energy: 1.8613658016470882
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Energy: 1.8619161201187875
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Energy: 1.8583409579253256
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Energy: 1.4965393334352926
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Energy: 1.705530992845546
Energy: 1.7098880042940907
Energy: 1.7062681351095685
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Energy: 1.7069723529007323
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Energy: 1.86166984740875
Energy: 1.8607046535346652
Energy: 1.4959162307915859
Energy: 1.53977959443175
Energy: 1.5405542544363666
Energy: 1.5399998138270217
Energy: 1.7207088194101987
Energy: 1.4956665063294825
Energy: 1.4897889113531173
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Energy: 1.7076469106428203
Energy: 1.8635977956099867
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Energy: 1.7052976429450486
Energy: 1.7201925657706438
Energy: 1.7046486164381447
Energy: 1.4960242405331012
Energy: 1.7052779686422594
Energy: 1.8600990639632686
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Energy: 1.7062770409732837
Energy: 1.4928443682276729
Energy: 1.8495891991498596
Energy: 1.8611706142247588
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Energy: 1.7048385903826069
Energy: 1.7061571516135094
Energy: 1.8647614154677272
Energy: 1.8607562474900756
Energy: 1.8616183041897911
Energy: 1.8611632168607495
Energy: 1.7068657168381576
Energy: 1.8448645807268127
Energy: 1.7179468430887177
Energy: 1.49751944174944
Energy: 1.7199883968795244
Energy: 1.7198333349926787
Energy: 1.498289829804389
Energy: 1.4962382757055785
Energy: 1.7518512173318208
Energy: 1.4961924042870405
Energy: 1.7198753810665137
Energy: 1.7052961398901747
Energy: 1.8596105265538196
Energy: 1.704795464755498
Energy: 1.8658056199194661
Energy: 1.7204920335016332
Energy: 1.860013602284042
Energy: 1.8599423569261693
Energy: 1.8610388565394755
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Energy: 1.4965682613965683
Energy: 1.6640480504119337
Energy: 1.5401522468799218
Energy: 1.705344120285269
Energy: 1.718792875430076
Energy: 1.7080450443143191
Energy: 1.4905992062171352
Energy: 1.861512043628964
Energy: 1.861483606458748
Energy: 1.7052315833754565
Energy: 1.7187947968554713
Energy: 1.7220704679539687
Energy: 1.5399228525870048
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Energy: 1.7195499976648367
Energy: 1.4889293703659772
Energy: 1.4980603127992294
Energy: 1.7214511281189782
Energy: 1.8439074801189255
Energy: 1.84392261663212
Energy: 1.85795516030547
Energy: 1.7046891324927844
Energy: 1.7196119613509113
Energy: 1.7044847534241832
Energy: 1.7205017544115613
Energy: 1.859888225897082
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Energy: 1.493870947847368
Energy: 1.4983288458755575
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Energy: 1.7072105456087399
Energy: 1.8629558043088734
Energy: 1.8604375220509841
Energy: 1.8594831684474429
Energy: 1.8606970339454476
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Energy: 1.7041117639531371
Energy: 1.8602329400800177
Energy: 1.8609397990754022
Energy: 1.8594454965352083
Energy: 1.7065987426872546
Energy: 1.496402213212713
Energy: 1.5405306853444634
Energy: 1.5377178045965922
Energy: 1.5382990614709775
Energy: 1.4965839383373567
Energy: 1.7066456884929073
Energy: 1.8595107951772405
Energy: 1.8607757809762349
Energy: 1.7061488285939952
Energy: 1.8477739907148751
Energy: 1.7224238533332605
Energy: 1.8569261242115835
Energy: 1.7195552937176697
Energy: 1.7061748900138192
Energy: 1.7182436111364425
Energy: 1.7043033221845696
Energy: 1.4895836316074444
Energy: 1.721610949709559
Energy: 1.705668351246162
Energy: 1.4937541472073557
Energy: 1.862749037170397
Energy: 1.7064926797792086
Energy: 1.859205156412325
Energy: 1.7118154264086207
Energy: 1.704181079522564
Energy: 1.8619160748396903
Energy: 1.8611133792959846
Energy: 1.7147171417087745
Energy: 1.8647927871812637
Energy: 1.7069749947524013
Energy: 1.8430210011455161
Energy: 1.705761622817138
Energy: 1.7204700735042915
Energy: 1.7392578543345438
Energy: 1.7186481693614393
Energy: 1.8602425397353186
Energy: 1.8605011111310346
Energy: 1.860644608850737
Energy: 1.4964009080350418
Energy: 1.4966286234974235
Energy: 1.7052742753820236
Energy: 1.8551553818915292
Energy: 1.704662936559705
Energy: 1.7052917331278998
Energy: 1.8453321098166122
Energy: 1.4971127393784676
Energy: 1.4956760375602907
Energy: 1.495565033421044
Energy: 1.496447421114179
Energy: 1.5401475642270261
Energy: 1.539953190207983
Energy: 1.5408430528776416
Energy: 1.7206692992797408
Energy: 1.705089964302447
Energy: 1.86127955809229
Energy: 1.8616144843179512
Energy: 1.8620826503681873
Energy: 1.7070217273917208
Energy: 1.7060601305825505
Energy: 1.70622073935774
Energy: 1.5392335458079442
Energy: 1.7033518310947098
Energy: 1.5404465424371114
Energy: 1.494303307868235
Energy: 1.490757869930224
Energy: 1.4912448412110058
Energy: 1.8626953456734874
Energy: 1.8606698532986534
Energy: 1.846492052749519
Energy: 1.8627514375971521
Energy: 1.8618616947997715
Energy: 1.7045081103669846
Energy: 1.719565053171431
Energy: 1.705527029101519
Energy: 1.491735686035284
Energy: 1.4905788147540178
Energy: 1.4963657701556645
Energy: 1.4888031159368622

minimum gb energy = 1.4847238176100879 eV
minimum distance =  2.61440289303419 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 3.3601579998041307
Energy: 1.733010659291143
Energy: 1.7609807279704
Energy: 1.650276121172501
Energy: 1.7042215022853402
Energy: 1.8125470400731976
Energy: 1.8104133569025782
Energy: 1.757777932865061
Energy: 1.7625125271092459
Energy: 1.5878387048619382
Energy: 1.5845568337063092
Energy: 1.8043679896439209
Energy: 1.76482938101208
Energy: 1.6573653939871975
Energy: 1.6762622705345223
Energy: 1.731506419393023
Energy: 1.8077179462127868
Energy: 1.72248945719337
Energy: 1.6808631614067722
Energy: 1.612802959064323
Energy: 1.5915096055767592
Energy: 1.7877878559031561
Energy: 1.6698047154015276
Energy: 1.689345427206456
Energy: 1.5417964112041438
Energy: 1.7504060176646383
Energy: 1.6196261734257569
Energy: 1.642239674853361
Energy: 1.6182794175884154
Energy: 1.5799222155602939
Energy: 1.6028591195507607
Energy: 1.5809380490560412
Energy: 1.6325101309153782
Energy: 1.6293225693431577
Energy: 1.6048334733557317
Energy: 1.7113118632327848
Energy: 1.7211070786425833
Energy: 1.794817664067485
Energy: 1.6128478901420753
Energy: 1.6267627660891646
Energy: 1.5842725669083941
Energy: 1.589283324412941
Energy: 1.5974230564024947
Energy: 1.6547387291348699
Energy: 1.6375050175108883
Energy: 1.6253537860175653
Energy: 1.814043563191584
Energy: 1.8125902360973263
Energy: 1.6176953560521585
Energy: 1.5739231750753266
Energy: 1.6706527994692566
Energy: 1.671030504874305
Energy: 1.8618277025491896
Energy: 1.834258044106619
Energy: 1.7899325243416961
Energy: 1.5976864014462937
Energy: 1.6151080286658501
Energy: 1.5967741026750968
Energy: 1.6385587702254885
Energy: 1.841786362801404
Energy: 1.5906581629175116
Energy: 1.6577887869816446
Energy: 1.7570932077899386
Energy: 1.6403547761967616
Energy: 1.6349619997352536
Energy: 1.541828048104204
Energy: 1.80136307008255
Energy: 1.7410539130607843
Energy: 1.621855450347204
Energy: 1.6259699106892984
Energy: 1.7580961051384247
Energy: 1.8440742380077404
Energy: 1.6915456393280444
Energy: 1.6318464205950012
Energy: 1.6077871959268462
Energy: 1.7339358659080812
Energy: 1.6262151433433194
Energy: 1.5678436501203101
Energy: 1.6188683418599765
Energy: 1.7238012786718064
Energy: 1.7695942837085874
Energy: 1.8337234491655978
Energy: 1.61052928721401
Energy: 1.6005382205073295
Energy: 1.6084601708931268
Energy: 1.6008361646034044
Energy: 1.6314436413655016
Energy: 1.6201221699878139
Energy: 1.6416936091510494
Energy: 1.5944260889785389
Energy: 1.596221016579637
Energy: 1.5984023060055241
Energy: 1.7628165460459537
Energy: 1.6072604904462493
Energy: 1.5422391139553502
Energy: 1.7148928617634258
Energy: 1.567544006295863
Energy: 1.7272600043475772
Energy: 1.645776388938483
Energy: 1.6097633281694235
Energy: 1.7686679411991346
Energy: 1.7230459936651852
Energy: 1.764422766263012
Energy: 1.64108593865391
Energy: 1.672464606310406
Energy: 1.766221642751828
Energy: 1.7349162977339276
Energy: 1.7174686148301943
Energy: 1.8425997264201273
Energy: 1.8358693064592075
Energy: 1.7661545204189018
Energy: 1.675280847236688
Energy: 1.5797410765787625
Energy: 1.6116571753564644
Energy: 1.5807974373935925
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Energy: 1.5790308244472067
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Energy: 1.5820275892085516
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Energy: 1.7089572878506432
Energy: 1.8103611633449894
Energy: 1.760750166829312
Energy: 1.773928217361529
Energy: 1.5873880255295287

minimum gb energy = 1.53037111338766 eV
minimum distance =  2.59525944705807 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.8968657299504796
Energy: 1.5207917682972252
Energy: 1.527612446727244
Energy: 1.5153430083733075
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Energy: 1.5207248837351248
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Energy: 1.5330855489737023
Energy: 1.5737032957916208
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Energy: 1.4954180344396457
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Energy: 1.5151502725944839
Energy: 1.5130579564238367
Energy: 1.6443942949940438
Energy: 1.4679774548913451
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Energy: 1.5136637689641594
Energy: 1.4672933456933255
Energy: 1.4673916869004155
Energy: 1.509096399164493
Energy: 1.5494439534991975

minimum gb energy = 1.4672933456933255 eV
minimum distance =  2.60481016563711 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.776543703760125
Energy: 1.7916973041847524
Energy: 1.750167475418976
Energy: 1.7500965887012152
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Energy: 1.7699796139657475
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Energy: 1.751239227244385
Energy: 1.8498644571148448
Energy: 1.7456141478202163
Energy: 1.8115709842536274
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minimum gb energy = 1.727679358508796 eV
minimum distance =  2.55762717674848 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.7947022631543588
Energy: 1.7604218283017572
Energy: 1.7836983411732303
Energy: 1.7680371145290055
Energy: 1.7859198384375703
Energy: 1.8402977477681666
Energy: 1.8185812940572066
Energy: 1.8200837993719976
Energy: 1.7494729186038829
Energy: 1.8272673176129324
Energy: 1.8212394882101206
Energy: 1.7897166012218362
Energy: 1.7845493694178372
Energy: 1.7933738720089971
Energy: 1.8094921848005487
Energy: 2.0166716180907103
Energy: 1.9442860822136123
Energy: 1.8890028215624202
Energy: 1.7499043419737528
Energy: 1.820342410654442
Energy: 1.8357212614388652
Energy: 1.787300365580709
Energy: 1.7872290556887287
Energy: 1.7833910381464066
Energy: 1.9430294893663758
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Energy: 1.839958852894902
Energy: 1.7977483314864124
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Energy: 1.8159829651159272
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Energy: 1.8383729059554832
Energy: 1.742048068113229
Energy: 1.7937941870241148
Energy: 1.786846390981149
Energy: 1.788274652048538
Energy: 1.7892935967526247
Energy: 1.8242136040968595
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Energy: 1.9304089467230698
Energy: 1.8149273965194779
Energy: 1.8168691949250577
Energy: 1.7502935647462277
Energy: 1.7939922400882908
Energy: 1.9037257249286579
Energy: 1.7800505112933482
Energy: 1.7867201343707344
Energy: 1.7470314590334097
Energy: 1.7990972787277548
Energy: 1.8391616815732867
Energy: 1.734856461744246
Energy: 1.759996776673753
Energy: 1.8374861858144609
Energy: 1.7784572290172844
Energy: 1.9569064184520129
Energy: 1.8639594752398236
Energy: 1.7902135957939231
Energy: 1.7831881790690098
Energy: 1.8376788334747625
Energy: 1.818358932071625
Energy: 1.750078239895699
Energy: 1.8804708801198777
Energy: 1.8029042130958008
Energy: 1.847269970885563
Energy: 1.9556017060489816
Energy: 1.8387400355137047
Energy: 1.780514194432656
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Energy: 1.822887928851578
Energy: 1.858731213920583
Energy: 1.8206308092927126
Energy: 1.8199200480670055
Energy: 1.7875924935134868
Energy: 1.7785786819907234
Energy: 1.8194551540841077
Energy: 1.82446070839755
Energy: 1.7820410849370223
Energy: 1.7994653366448239
Energy: 1.7464042514878189
Energy: 1.8283629989765415
Energy: 1.8369870153783452
Energy: 1.7580633185446388
Energy: 1.79203955520832
Energy: 1.8699121498199829
Energy: 1.9171198477092533
Energy: 2.01313687839089
Energy: 1.783270131111557
Energy: 1.768214577836249
Energy: 1.7437901336603392
Energy: 1.7362144042356564
Energy: 1.7367224591128803
Energy: 1.7955259964547636
Energy: 1.915479463659219
Energy: 2.0134210045774594
Energy: 1.943678257273563
Energy: 1.7837417797697803
Energy: 1.7836038668693086
Energy: 1.769508920447995
Energy: 1.7683054007408272
Energy: 1.7360302689890112
Energy: 1.7381844209691912
Energy: 1.7358902788762496
Energy: 1.7354819285439211
Energy: 1.8257875270050024
Energy: 1.8416127766715302
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Energy: 1.9078625760070325
Energy: 1.7689314598177395
Energy: 1.787537181498292
Energy: 1.7382652843785755
Energy: 1.7340553823488412
Energy: 1.8153327395436947
Energy: 1.7928491838309935
Energy: 1.7947453801444129
Energy: 1.8732390846568836
Energy: 1.7818510193725505
Energy: 1.8205914424952385
Energy: 1.809771830396403
Energy: 1.8836213626284861
Energy: 1.822640423221669
Energy: 1.7915965942355028
Energy: 1.8154471309694515
Energy: 1.8179313690931163
Energy: 1.7598069109388768
Energy: 1.942277315066774
Energy: 2.003006374147222
Energy: 1.7679159938903737
Energy: 1.8029278572599285
Energy: 1.973654977000351
Energy: 1.82176918860249
Energy: 1.8160077776636006
Energy: 1.8169184387498634
Energy: 1.814665885857251
Energy: 1.841086616491999
Energy: 1.9431231546883576
Energy: 1.9439480796071185
Energy: 1.8424504671722837
Energy: 1.811370366584038
Energy: 1.8197036254690493
Energy: 1.9432124732124683
Energy: 1.789773200123322
Energy: 1.8294287954863804
Energy: 1.8258571881005463
Energy: 1.8175519690329314
Energy: 1.8239606470635692
Energy: 1.8227861335407165
Energy: 1.9066387082641052
Energy: 1.8254430764056648
Energy: 1.9863942367910188
Energy: 1.825718119792481
Energy: 1.7851425303426656
Energy: 1.8220906976126234
Energy: 1.7923103519633745
Energy: 1.8663924960319092
Energy: 1.8925523655266538
Energy: 1.7381956456248908
Energy: 1.7551412295075426
Energy: 1.8192880520139765
Energy: 1.8217403607831046
Energy: 1.8991282463475636
Energy: 1.7899851184821718
Energy: 1.9814630547241077
Energy: 1.7349399135895478
Energy: 1.7716276455057611
Energy: 1.7358694833148367
Energy: 1.7737241224911282
Energy: 1.7685393632811657
Energy: 1.7557945847282947
Energy: 1.8257051130692432
Energy: 1.9247989276092752
Energy: 1.986560708073715
Energy: 2.0144464852329724
Energy: 1.8371000575876955
Energy: 1.798278645853263
Energy: 1.7352608027308174
Energy: 1.7372219081397082
Energy: 1.7684739069265771
Energy: 1.765994076364184
Energy: 1.756439476714722
Energy: 1.942252598995049
Energy: 2.002433332187896
Energy: 1.7368196811839423
Energy: 1.7753824769404145
Energy: 1.8343065619379129
Energy: 1.736024157184727
Energy: 1.744278239410588
Energy: 1.7554388087976935
Energy: 1.804861026094815
Energy: 1.7800239138424676
Energy: 1.8213951929456176
Energy: 1.7807559098490182

minimum gb energy = 1.7253894928755928 eV
minimum distance =  2.58528599060684 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.3073052056472934
Energy: 1.6076407694653227
Energy: 1.6062367596656446
Energy: 1.6085699521345318
Energy: 1.6065947791499327
Energy: 1.8300303461137042
Energy: 1.6072540037998702
Energy: 1.6071704128943196
Energy: 1.6076657353121948
Energy: 1.492763860211501
Energy: 1.6048205550104804
Energy: 1.6062708363892357
Energy: 1.7679277875679031
Energy: 1.7532330934098468
Energy: 1.6073894094087902
Energy: 1.6029539244073436
Energy: 1.6061778979001509
Energy: 1.7767830480319167
Energy: 1.8305586494676065
Energy: 1.6067414278422643
Energy: 1.7699418801029916
Energy: 1.9051453842410178
Energy: 1.6065784306968962
Energy: 1.6067659621605743
Energy: 1.865697635478554
Energy: 1.764945502852626
Energy: 1.7763701630339732
Energy: 1.6070991314196654
Energy: 1.6053556744568729
Energy: 1.6074232709194656
Energy: 1.6066058206555385
Energy: 1.4924141090232732
Energy: 1.4909798103244152
Energy: 1.766146548053794
Energy: 1.9071152261312774
Energy: 1.863400262786328
Energy: 1.6070092145499557
Energy: 1.608117894833512
Energy: 1.4874826083171626
Energy: 1.6074234301961767
Energy: 1.7814376087452664
Energy: 2.002031773269807
Energy: 1.4903819771472062
Energy: 1.6062234417954475
Energy: 1.607593909772322
Energy: 1.5856464582981367
Energy: 1.8303814092200095
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Energy: 1.6013897357486881
Energy: 1.6054673118752882
Energy: 1.6058749539118045
Energy: 1.6038670077539599
Energy: 1.8654063779586096
Energy: 1.8541877206717061
Energy: 1.7672174767053836
Energy: 1.769274648034221
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Energy: 1.606821081592388
Energy: 1.6067432214393789
Energy: 1.777092060931302
Energy: 1.607272750092374
Energy: 1.7658461844093425
Energy: 1.7698648706295872
Energy: 1.6077921121226428
Energy: 1.605029556921792
Energy: 1.8635052879326186
Energy: 1.8652389093750663
Energy: 1.767369105851471
Energy: 1.605903420839227
Energy: 1.602505437588043
Energy: 1.4894841858107561
Energy: 1.6070625402455812
Energy: 1.6066910379709163
Energy: 1.4907373987373604
Energy: 2.000743217231552
Energy: 1.7687514888355533
Energy: 1.7759233340841616
Energy: 1.607397190294259
Energy: 1.782983294382587
Energy: 1.7772497234805387
Energy: 1.6064924828694556
Energy: 1.6065042769678426
Energy: 1.7807617735029946
Energy: 1.491515474644676
Energy: 1.6044383573726295
Energy: 1.6062237505855694
Energy: 1.6073430346321638
Energy: 1.767413871827166
Energy: 1.6068661397184436
Energy: 1.6005610444352727
Energy: 1.6067617707474957
Energy: 1.6075256474183452
Energy: 1.6075928039427625
Energy: 1.6074021850889002
Energy: 1.8668424830406585
Energy: 1.8556178963627794
Energy: 1.606749118823111
Energy: 1.7670884188790283
Energy: 1.769525211575693
Energy: 1.7765139319039598
Energy: 1.6019621576562277
Energy: 1.6070424247255852
Energy: 1.4911936836967434
Energy: 1.607872886747892
Energy: 1.6067751577231866
Energy: 1.4910416762799947
Energy: 1.768977476458965
Energy: 1.906123372115004
Energy: 1.8637260045894788
Energy: 1.6058005290220292
Energy: 1.8302928349211818
Energy: 1.6077211376155118
Energy: 1.6073838909603655
Energy: 1.6063413878155057
Energy: 1.4890190075336
Energy: 1.4907209077908294
Energy: 1.6060407176223959
Energy: 1.606203794683919
Energy: 1.7679707899142763
Energy: 1.6067994550171467
Energy: 1.6021755817465964
Energy: 1.60661681063218
Energy: 1.7780538156383674
Energy: 1.8301494556498743
Energy: 1.6065937885587867
Energy: 1.6040241179211348
Energy: 1.6058025830677958
Energy: 1.7668011436379134
Energy: 1.5856159924005673
Energy: 1.6076185096446394
Energy: 1.8603095516655457
Energy: 1.7766767624138546
Energy: 1.6080883675163216
Energy: 1.6069582812977536
Energy: 1.6071083982728183
Energy: 1.7692413738523218
Energy: 1.9060615897947208
Energy: 1.6060726600834612
Energy: 1.8629075471625631
Energy: 1.8650784852444084
Energy: 1.8639580112281495
Energy: 1.6050472860431713
Energy: 1.6065992194349263
Energy: 1.4910602194896776
Energy: 1.6068837832006788
Energy: 1.6057009004512872
Energy: 1.4937808572350646
Energy: 1.4896981255232344
Energy: 1.7678896405748814
Energy: 1.9070847672360969
Energy: 1.5860238833791076
Energy: 1.7811238306510502
Energy: 1.6058574830036387
Energy: 1.6056572053836824
Energy: 1.607727724200659
Energy: 1.7810711347397061
Energy: 2.002824060145633
Energy: 1.4896692012586756
Energy: 1.6044791540460828
Energy: 1.6074831247323726
Energy: 1.864334066283933
Energy: 1.862881928243492
Energy: 1.6063634344281175
Energy: 1.607477555730044
Energy: 1.776920317776806
Energy: 1.6062766607228176
Energy: 1.6062943475436493
Energy: 1.8660369359423492
Energy: 1.8541693609043153
Energy: 1.7685270426200848
Energy: 1.862875615855437
Energy: 1.8660876158868642
Energy: 1.7690886859512933
Energy: 1.606573820254919
Energy: 1.6032251794021999
Energy: 1.6066011840091765
Energy: 1.7643756648416131
Energy: 1.7696113970308338
Energy: 1.6070864074032114
Energy: 1.6059637024961613
Energy: 1.7694744305961696
Energy: 1.8654078504154195
Energy: 1.6080525996386912
Energy: 1.7833226293961413
Energy: 1.8234172568329023
Energy: 1.6072276508428938
Energy: 1.6075406162246564
Energy: 1.607509706403926
Energy: 1.4896785120811122
Energy: 2.00055316072133
Energy: 1.6058899873703594
Energy: 1.60714577509867
Energy: 1.7531864614684631
Energy: 1.605931230481555
Energy: 1.6019431996842695
Energy: 1.6066986827109904
Energy: 1.830535470424643
Energy: 1.7805778981065021
Energy: 1.4916889932465316
Energy: 1.6056022367332266
Energy: 1.8558707022862844
Energy: 1.6061974402362678
Energy: 1.7759820228928218
Energy: 1.862426416697879
Energy: 1.7680489003577733
Energy: 1.6070021733098103
Energy: 1.6085676749208082
Energy: 1.609099309297964
Energy: 1.606808244194029
Energy: 1.9035642984487786
Energy: 1.4919557516384712
Energy: 1.780892900417844
Energy: 1.8642246591244762
Energy: 1.864223974725067
Energy: 1.6060162213352716
Energy: 1.6025017058652513
Energy: 1.6066746710702589
Energy: 1.7719759659741883
Energy: 1.6063145212106404
Energy: 1.6069455309367955

minimum gb energy = 1.4874826083171626 eV
minimum distance =  2.71384989314884 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.99457402697385
Energy: 1.7163524440718745
Energy: 1.7162937423261708
Energy: 1.753272551927392
Energy: 1.703103097469948
Energy: 1.7422843958478265
Energy: 1.6976825700414127
Energy: 1.6960151824491203
Energy: 1.71587108884661
Energy: 1.6975902418548436
Energy: 1.8003206201981257
Energy: 1.819203530095407
Energy: 1.7400263953451998
Energy: 1.7018579879003317
Energy: 1.7133213212349916
Energy: 1.721125035522362
Energy: 1.6877898091055021
Energy: 1.6916892497221683
Energy: 1.6933359828854897
Energy: 1.8630281225770209
Energy: 1.9303816259962558
Energy: 1.8091595665854414
Energy: 1.8089456373745818
Energy: 1.7026536659514546
Energy: 1.7189867009261501
Energy: 1.759569811489962
Energy: 1.6915181926896978
Energy: 1.6844920166898527
Energy: 1.7657774434010005
Energy: 1.8516989694741806
Energy: 1.6941785671017022
Energy: 1.8648544850627624
Energy: 1.8740411573795508
Energy: 1.7835514185052175
Energy: 1.7559787461993421
Energy: 1.7165215034822727
Energy: 1.759005877420343
Energy: 1.7089675713643855
Energy: 1.7040679494685367
Energy: 1.6931584618881406
Energy: 1.6857580048576732
Energy: 1.8826598638889895
Energy: 1.7507000756270221
Energy: 1.709318357578068
Energy: 1.7171726520515513
Energy: 1.7207211177470578
Energy: 1.7402237299984522
Energy: 1.8285838429701375
Energy: 1.805060695820536
Energy: 1.6863511541412959
Energy: 1.7764500458594268
Energy: 1.8748908256522998
Energy: 1.8087532983573444
Energy: 1.8919941318520894
Energy: 1.8898928086543851
Energy: 1.717447465870606
Energy: 1.74109464291451
Energy: 1.7419739860282766
Energy: 1.8047475262451682
Energy: 1.8072959083390736
Energy: 1.7005819360769143
Energy: 1.741444925612884
Energy: 1.8055349569267953
Energy: 1.771746058314399
Energy: 1.8725652641485149
Energy: 1.7151870652453616
Energy: 1.8592512856361834
Energy: 1.8595697421854682
Energy: 1.7155352010913953
Energy: 1.8219496227585967
Energy: 1.6992767973790215
Energy: 1.715481258009159
Energy: 1.703546091680078
Energy: 1.690182913035938
Energy: 1.7382294392865902
Energy: 1.713099119715534
Energy: 1.7420762059549635
Energy: 1.740989536114223
Energy: 1.721488688815637
Energy: 1.7622754097415763
Energy: 1.8028376136411295
Energy: 1.8068297945157274
Energy: 1.8193819449951223
Energy: 1.8635051685613893
Energy: 1.8066298593929382
Energy: 1.7237708738837119
Energy: 1.8598895149619048
Energy: 1.8795641411151824
Energy: 1.7210988088866404
Energy: 1.8713117138462114
Energy: 1.8034799828350716
Energy: 1.8566825539395213
Energy: 1.818199187888565
Energy: 1.7997462046880468
Energy: 1.7702488249302757
Energy: 1.805601078963226
Energy: 1.742173492138012
Energy: 1.7417089342071344
Energy: 1.720675191625941
Energy: 1.7182200740080413
Energy: 1.7096629370580243
Energy: 1.7074071574817222
Energy: 1.7821284382704632
Energy: 1.6985033869761508
Energy: 1.708676967827564
Energy: 1.812485653385717
Energy: 1.7939893305737007
Energy: 1.7583957454033317
Energy: 1.7218534932697422
Energy: 1.7079257200411484
Energy: 1.7834828151457605
Energy: 1.8827068128528517
Energy: 1.894075015403331
Energy: 1.8851036005959676
Energy: 1.8832965123940648
Energy: 1.6940983432836039
Energy: 1.709485293740129
Energy: 1.7601309088941783
Energy: 1.71852291173296
Energy: 1.756451490505681
Energy: 1.6911497709449554
Energy: 1.860537185712563
Energy: 1.8123902018530014
Energy: 1.9470814863632118
Energy: 1.868930825226592
Energy: 1.7595651801528376
Energy: 1.680748921031753
Energy: 1.6905492980373042
Energy: 1.7609107715190178
Energy: 1.720684047089309
Energy: 1.7362945059802932
Energy: 1.7186869578645831
Energy: 1.903692851524573
Energy: 1.8694192187781364
Energy: 1.8678887506250148
Energy: 1.7026274620262698
Energy: 1.690914891591891
Energy: 1.681547391359531
Energy: 1.723561299550198
Energy: 1.7254465987122465
Energy: 1.7169093883826059
Energy: 1.7709548009616871
Energy: 1.7175136241033566
Energy: 1.7349116397655786
Energy: 1.6956920799317445
Energy: 1.7221376328665592
Energy: 1.6973138006031572
Energy: 1.6947420335743886
Energy: 1.844429923642958
Energy: 1.7049335871128681
Energy: 1.7066514292203177
Energy: 1.6909244575139806
Energy: 1.8352897918566375
Energy: 1.8207138487126249
Energy: 1.8076140455091398
Energy: 1.7748232869686031
Energy: 1.681043301892516
Energy: 1.6974293550202004
Energy: 1.7312277859641447
Energy: 1.7066711081791857
Energy: 1.7149264238034347
Energy: 1.7054149157337573
Energy: 1.8380857027260873
Energy: 1.8964823723646693
Energy: 1.8297406443267887
Energy: 1.8072755590887015
Energy: 1.7396308905119897
Energy: 1.6821993813669662
Energy: 1.7327742189553819
Energy: 1.8104711450684583
Energy: 1.7132823354412017
Energy: 1.719689965938241
Energy: 1.680779453891792
Energy: 1.7058651551966517
Energy: 1.8389925868810792
Energy: 1.8596911449204936
Energy: 1.7988410987880061
Energy: 1.7098761933764763
Energy: 1.731951265482488
Energy: 1.7287279694466782
Energy: 1.7848214028106049
Energy: 1.8950795648298149
Energy: 1.7850587599279073
Energy: 1.713641001779605
Energy: 1.8192882085072168
Energy: 1.6932768624969388
Energy: 1.7121980141795108
Energy: 1.712377537196565
Energy: 1.7327028463250402
Energy: 1.733387532936347
Energy: 1.729283740444459
Energy: 1.8336604691419034
Energy: 1.8959244224305127
Energy: 1.798700672116918
Energy: 1.8749101169291575
Energy: 1.8660132880772538
Energy: 1.8343032280876084
Energy: 1.8300349344944213
Energy: 1.7318899351763648
Energy: 1.8095946871506952
Energy: 1.7325511305643255
Energy: 1.6919024486028909
Energy: 1.744599259395566
Energy: 1.7744537763344261
Energy: 1.857883322818109
Energy: 1.7489217377093176
Energy: 1.7676327536080447
Energy: 1.8383095193575745
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Energy: 1.9080151347353749
Energy: 1.7295123751475812
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Energy: 1.7022702840071866
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Energy: 1.7420612766557384
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Energy: 1.803031856748142
Energy: 1.7306959310707075
Energy: 1.7099149238004423
Energy: 1.7186735738359484
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Energy: 1.7285403165066051
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Energy: 1.8582124095593366
Energy: 1.711235080317967
Energy: 2.0029458230706125
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Energy: 1.670767425373398
Energy: 1.6727337522080068
Energy: 1.7136224006755978
Energy: 1.7340631704083465
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Energy: 1.8466613739166986
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Energy: 1.7172585987455502
Energy: 1.7132736112923184
Energy: 1.7894598021292658
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Energy: 1.7028210268224735
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Energy: 1.9594290305902957
Energy: 1.9063232322985937
Energy: 1.889211206518373
Energy: 1.7630700647201771
Energy: 1.7502418951164718
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Energy: 1.7231809601847672
Energy: 1.7736641566188787
Energy: 1.721360849237806
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Energy: 1.7150229679971316
Energy: 1.7142977269581874
Energy: 1.7358457975254782
Energy: 1.7438747050078816
Energy: 1.77518564734336
Energy: 1.7737109536241318
Energy: 1.7579517720848141
Energy: 1.855575854790919
Energy: 1.861626594278755
Energy: 1.8625222673803794
Energy: 1.716510006992613
Energy: 1.7144453921043876
Energy: 1.7465933919399212
Energy: 1.8600363878409003
Energy: 1.708727543553973
Energy: 1.7841125507507924
Energy: 1.7551684913966688
Energy: 1.7376935170918242
Energy: 1.8087419297523994
Energy: 1.7720000519134838
Energy: 1.8868676248445955
Energy: 1.738357078371555
Energy: 1.7389795622737725
Energy: 1.738676350052428
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Energy: 1.6954315831781768
Energy: 1.7023729447402167
Energy: 1.7316109252103566
Energy: 1.668360148207986
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Energy: 1.729721424116439
Energy: 1.7423093852157812
Energy: 1.8614056560953691
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Energy: 1.809339515111339
Energy: 1.815127838969845
Energy: 1.7733778503852067
Energy: 1.813217928115451
Energy: 1.8309061423433748
Energy: 1.830059318222964
Energy: 1.8073039088486622
Energy: 1.7373272661830763
Energy: 1.737541440799522
Energy: 1.7163953897100799
Energy: 1.717354589299977
Energy: 1.811471540626355
Energy: 1.7745492994465344
Energy: 1.896885401915806
Energy: 1.77268596782115
Energy: 1.8107861718855631
Energy: 1.8162204209553143
Energy: 1.8046111416464008
Energy: 1.7117925851708913
Energy: 1.7171117250301937
Energy: 1.71833501640758
Energy: 1.711000870940001
Energy: 1.7540701574947017
Energy: 1.7829228232987886
Energy: 1.6930967233486511
Energy: 1.7102053435560869
Energy: 1.7463369172481285
Energy: 1.7200805776418535
Energy: 1.7114165043461467
Energy: 1.7148862129099423
Energy: 1.7550194123019918
Energy: 1.6868641211096325
Energy: 1.8875749014103431
Energy: 1.889453113283133
Energy: 1.71135343691013
Energy: 1.7156994534665377
Energy: 1.7513757048116132
Energy: 1.6853658724381362
Energy: 1.6856800016004234
Energy: 1.7535223202462025
Energy: 1.7158578062595644
Energy: 1.7032881837370124
Energy: 1.8866256510400043
Energy: 1.7780901957501094
Energy: 1.9154398127484944
Energy: 1.8510616164205258
Energy: 1.7593435524443097
Energy: 1.6919042109846358
Energy: 1.688143253395104
Energy: 1.7216500573895086
Energy: 1.715173901737789
Energy: 1.710204602735483
Energy: 1.7260939423853021
Energy: 1.8638741137156074
Energy: 1.8443283243132575
Energy: 1.8631103373978557
Energy: 1.7186441757067872
Energy: 1.6888904851452264
Energy: 1.6992670562683276
Energy: 1.7230226841051801
Energy: 1.7112359258174417
Energy: 1.7329872877451258
Energy: 1.7168574973100519
Energy: 1.7170746930803302
Energy: 1.6934700241642098
Energy: 1.6911068558709625
Energy: 1.7886009639089917
Energy: 1.6852125621614393
Energy: 1.7115775235190684
Energy: 1.7344879741899257
Energy: 1.7056377049619464
Energy: 1.7035857042876068
Energy: 1.70198164968876
Energy: 1.8673230375360867
Energy: 1.8306520564758106
Energy: 1.974155220290163
Energy: 1.7676977998023522
Energy: 1.7539206923149415
Energy: 1.686392062479198
Energy: 1.7361498511850242
Energy: 1.8123700620600454
Energy: 1.714798083204481
Energy: 1.704404055678221
Energy: 1.8703039344346095
Energy: 1.8607667037358988
Energy: 1.8544814057484005
Energy: 1.8461775556925972
Energy: 1.7543326338935263
Energy: 1.8119155291853573
Energy: 1.7347440835523982
Energy: 1.7366291151814781
Energy: 1.7217035538828778
Energy: 1.680736111304705
Energy: 1.9720946729338567
Energy: 1.7217040423686993
Energy: 1.8631957744689942
Energy: 1.6687239960750015
Energy: 1.7042237942232006
Energy: 1.7022647643069446
Energy: 1.7395392334000621
Energy: 1.9205705170371101
Energy: 1.807992569445416
Energy: 1.8846613671273333
Energy: 1.7038855632693721
Energy: 1.7139260617665595
Energy: 1.7510294500639394
Energy: 1.7299159279017546
Energy: 1.8658596739397675
Energy: 1.86478362067838
Energy: 1.7349764917426833
Energy: 1.7208134953638787
Energy: 1.7361727759980634
Energy: 1.8691390366436835
Energy: 1.9243730228323201
Energy: 1.768780353396165
Energy: 1.8938757009030336
Energy: 1.7149530044511734
Energy: 1.7376711687253776
Energy: 1.8626783794736266
Energy: 1.7359859943441234
Energy: 1.7687322477876593
Energy: 1.7385053912104516
Energy: 1.729302299998976
Energy: 1.8885227060596097
Energy: 1.779436527057512
Energy: 1.857633580386625
Energy: 1.7025459552915407
Energy: 1.690598808307236
Energy: 1.8711219401092367
Energy: 1.732530981268717
Energy: 1.781986835485855
Energy: 1.7362879472548716
Energy: 1.6963376318377026
Energy: 1.697476040840465
Energy: 1.8908393867823121
Energy: 1.6994478543028781
Energy: 1.875237607297905
Energy: 1.8521370493505018
Energy: 1.7025589576515041
Energy: 1.699347977989487
Energy: 1.8363489310522267
Energy: 1.8084426995449248
Energy: 1.821666765753744
Energy: 1.7481109581998096
Energy: 1.764696191548372
Energy: 1.8640993083128663
Energy: 1.799698125490344
Energy: 1.8645375652572225
Energy: 1.7313609135383774
Energy: 1.7032545852544
Energy: 1.7037926794594613
Energy: 1.7358066704132402
Energy: 1.6866886994192198
Energy: 1.6931250254192478
Energy: 1.7545101717320335
Energy: 1.8085165371113165
Energy: 1.7215276188003152
Energy: 1.719461710131841
Energy: 1.7229269540032068
Energy: 1.7324448038362577
Energy: 1.7017217285928234
Energy: 1.724784849548549
Energy: 1.684187496388912
Energy: 1.709799463759506
Energy: 1.7207074413605639
Energy: 1.7039764027226167

minimum gb energy = 1.668360148207986 eV
minimum distance =  2.59838952687484 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.9357495026370926
Energy: 1.5748195201841984
Energy: 1.5754768362213174
Energy: 1.6915484436320203
Energy: 1.740262749103754
Energy: 1.652162428493219
Energy: 1.7126501430133683
Energy: 1.6350092080380427
Energy: 1.5730814822462502
Energy: 1.5398219088734937
Energy: 1.89994322737565
Energy: 1.6919922923222186
Energy: 1.7394071884912747
Energy: 1.636166277579783
Energy: 1.6325803839745192
Energy: 1.5744876380671478
Energy: 1.636153046211351
Energy: 1.728552551393337
Energy: 1.630263703996005
Energy: 1.8749737183945767
Energy: 1.8990386969551625
Energy: 1.67288859805446
Energy: 1.900123644303425
Energy: 1.9015415074597977
Energy: 1.6355819569955001
Energy: 1.6332113190720208
Energy: 1.63333757206958
Energy: 1.6343387553499662
Energy: 1.674951806560082
Energy: 1.7387126485208981
Energy: 1.7330323646824186
Energy: 1.6930633173365661
Energy: 1.6821315502715768
Energy: 1.6417288841825188
Energy: 1.6801419582598713
Energy: 1.6330092425607083
Energy: 1.5743006045388301
Energy: 1.5738613199094875
Energy: 1.5433937774365543
Energy: 1.5936354175503367
Energy: 1.6346505051550453
Energy: 1.6319179070340435
Energy: 1.5793672407522459
Energy: 1.6342778869118244
Energy: 1.576716780275165
Energy: 1.5735918807039846
Energy: 1.734852896399371
Energy: 1.6358053801962154
Energy: 1.900827145265102
Energy: 1.693741950363709
Energy: 1.6748265564167761
Energy: 1.8870304474314437
Energy: 1.6729423946582012
Energy: 1.9101958925655402
Energy: 1.7375777048534131
Energy: 1.6339514011102034
Energy: 1.6348485233349856
Energy: 1.6348872304283975
Energy: 1.8986113392693194
Energy: 1.670813903570864
Energy: 1.6508736218638287
Energy: 1.6341338268006902
Energy: 1.6938395518046803
Energy: 1.6745077792992493
Energy: 1.6869473106522421
Energy: 1.6338409475321893
Energy: 1.57607043203914
Energy: 1.7381938288080996
Energy: 1.7337821266905227
Energy: 1.6309666788369832
Energy: 1.859781662526184
Energy: 1.5738906357682927
Energy: 1.574114409222518
Energy: 1.5784461619660561
Energy: 1.6844438735536738
Energy: 1.5747000854307276
Energy: 1.6342340190555895
Energy: 1.6356698265685878
Energy: 1.576005395228705
Energy: 1.6151203906116418
Energy: 1.9012993059155516
Energy: 1.6800986460981058
Energy: 1.7387313441377596
Energy: 1.8868454581743854
Energy: 1.694933353968577
Energy: 1.5739799451612084
Energy: 1.7296805598031078
Energy: 1.6352555830503095
Energy: 1.6733026601404852
Energy: 1.6874641403127304
Energy: 1.739596750910376
Energy: 1.6751093559309609
Energy: 1.8862878200705495
Energy: 1.675964313646309
Energy: 1.6284121470012187
Energy: 1.7322909877029082
Energy: 1.5743601572927246
Energy: 1.5752601162076012
Energy: 1.6602839039379045
Energy: 1.636816132863202
Energy: 1.5753856693835409
Energy: 1.572718447044474
Energy: 1.631880032593083
Energy: 1.5748422198583876
Energy: 1.634483492475623
Energy: 1.6335266570670537
Energy: 1.684326341794131
Energy: 1.7333591025228472
Energy: 1.5399261489761826
Energy: 1.577207289733812
Energy: 1.693621422040311
Energy: 1.736007791241375
Energy: 1.673185998032389
Energy: 1.7322542636746292
Energy: 1.7372558875614097
Energy: 1.5735875725498643
Energy: 1.6328972434979814
Energy: 1.6387012201606939
Energy: 1.8985354080293002
Energy: 1.685132507022596
Energy: 1.6723874082525656
Energy: 1.8765951166729962
Energy: 1.6741433538957775
Energy: 1.898837616426585
Energy: 1.7403859563383774
Energy: 1.6308168034563186
Energy: 1.6343645508840174
Energy: 1.712720082594909
Energy: 1.7400538719665541
Energy: 1.6842502978152543
Energy: 2.156828484620292
Energy: 1.5738983043589339
Energy: 1.6336444483942414
Energy: 1.6771718992916975
Energy: 1.738867903814914
Energy: 1.5747168316212636
Energy: 1.6415456006437792
Energy: 1.5739912698603307
Energy: 1.5761827518249836
Energy: 1.5393223215997522

minimum gb energy = 1.5393223215997522 eV
minimum distance =  2.62018620838387 Angstroms
sigma value = 33