Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
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=[2.3071984400253597e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.019613164436157172
Energy: 0.020929839003453857
Energy: 28.33977489093321
Energy: 40.52175031383087
Energy: 28.534935826121906
Energy: 28.715235100175104
Energy: 28.210716923159616
Energy: 28.148433315103457
Energy: 0.28252763089379274
Energy: 0.02144659449577792
Energy: 0.02067959693436037
Energy: 28.089040502696193
Energy: 16.127703596668034
Energy: 0.020321789421773578
Energy: 0.020845120460930455
Energy: 28.11642311152746
Energy: 27.870383848484718
Energy: 28.165534896665193
Energy: 28.70615174604153
Energy: 28.06991654118282
Energy: 40.563341029565784
Energy: 28.50975701725783
Energy: 28.17605751714251
Energy: 0.020765743167671193
Energy: 27.908896138418122
Energy: 15.353632893011355
Energy: 0.020499482408404265
Energy: 0.020325783610498416
Energy: 28.158267134938303
Energy: 28.051304971977906
Energy: 0.020483126672692923
Energy: 27.88153649881875
Energy: 28.565637855858007
Energy: 40.45476310572674
Energy: 28.012950497518084
Energy: 28.505056066748608
Energy: 0.020952353826961447
Energy: 0.020313088189631356
Energy: 15.171430142218373
Energy: 0.020487100625217993
Energy: 0.020446862399291842
Energy: 15.499310244191884
Energy: 15.622538211984002
Energy: 0.020223243776068642
Energy: 0.020221952822422142
Energy: 28.602150687455183
Energy: 40.59056158837921
Energy: 40.697751533082425
Energy: 28.47360909223598
Energy: 0.01986389063957935
Energy: 40.52664707929572
Energy: 28.351536485614165
Energy: 28.130863604882432
Energy: 0.02040149773787778
Energy: 0.020224294925353537
Energy: 15.363029597811563
Energy: 0.02014041418680708
Energy: 0.021193107495315305
Energy: 28.360594038055723
Energy: 28.62207789957819
Energy: 0.02105310655868735
Energy: 28.213290697376127
Energy: 28.5382765736053
Energy: 40.644229584252834
Energy: 28.0870017488781
Energy: 28.293816275762204
Energy: 0.020459469241145944
Energy: 0.020537556088012277
Energy: 14.898235046445109
Energy: 28.169392674415757

minimum gb energy = 0.019613164436157172 eV
minimum distance =  1.72630242495318 Angstroms
sigma value = 3


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

Energy: 3.279053574208531
Energy: 1.991474196206814
Energy: 1.9963544134271338
Energy: 2.05375793384699
Energy: 2.0649436464500264
Energy: 2.0090941938333637
Energy: 2.01689170408101
Energy: 2.153657445030229
Energy: 1.9953352089849345
Energy: 1.979330450307673
Energy: 2.176791898212912
Energy: 2.0503813719355315
Energy: 2.1298686266291313
Energy: 2.469624139434963
Energy: 1.9445397023582196
Energy: 2.07150027506751
Energy: 2.126323170571336
Energy: 2.127788370000746
Energy: 1.9998293648894625
Energy: 2.057735678661088
Energy: 2.1252763310414706
Energy: 1.946650229930104
Energy: 1.9400016530952322
Energy: 2.0727712765899007
Energy: 2.0547579194004104
Energy: 2.1403923405067187
Energy: 2.469275672685369
Energy: 1.94506620691909
Energy: 2.028887914259832
Energy: 2.2424769445832027
Energy: 2.264421606250522
Energy: 2.0155296492934096
Energy: 2.0291559213820047
Energy: 2.058706521653902
Energy: 1.9083594992686297
Energy: 1.967983957433546
Energy: 2.0251010316897586
Energy: 2.0237244442975126
Energy: 2.024293372760789
Energy: 2.002739655405097
Energy: 2.2978120779536124
Energy: 1.9965300992176576
Energy: 2.347062281427397
Energy: 2.333602150392471
Energy: 1.995447033931255
Energy: 2.0393949765765895
Energy: 2.1294816991419023
Energy: 1.9815766267273918
Energy: 2.052060007009074
Energy: 1.9391427029198265
Energy: 2.059710036052721
Energy: 2.1755135437761397
Energy: 1.9487106947610684
Energy: 1.9955316858158008
Energy: 2.1135489421997806
Energy: 1.9652235242658849
Energy: 2.148731894191442
Energy: 1.9384427897334733
Energy: 1.9440853210132385
Energy: 1.9494492890589163
Energy: 1.9047788667743992
Energy: 1.912819893192367
Energy: 1.9071940400122562
Energy: 1.9116012792656405
Energy: 2.0312430859739186
Energy: 1.9469393837292401
Energy: 1.9381626134827812
Energy: 2.1499822638735524
Energy: 1.9437813479706185
Energy: 2.0415589425889467
Energy: 2.0480294962886347
Energy: 1.902215226008479
Energy: 2.0210077623065694
Energy: 2.011607413661815
Energy: 1.8947764410200796
Energy: 1.896381280643357
Energy: 1.900008347086124
Energy: 2.0952239374731487
Energy: 2.2120203212823433
Energy: 1.9077223605685885
Energy: 1.9074579828348828
Energy: 2.1101142951361513
Energy: 1.8958106702833388
Energy: 1.8941869413170118
Energy: 1.9047680959149584
Energy: 1.9774889615596662
Energy: 1.9824100727456182
Energy: 1.97657647893193
Energy: 2.090362131334946
Energy: 1.9112673042486392
Energy: 1.957569115365922
Energy: 2.045525038907021
Energy: 1.9366109005064758
Energy: 1.9363247316733854
Energy: 2.109778847735194
Energy: 1.9950753751668513
Energy: 1.9105833792707885
Energy: 1.909684514752746
Energy: 1.9065010015999693
Energy: 2.0969078494161124
Energy: 1.9309636201562936
Energy: 1.9266462779459368
Energy: 2.1255371585878367
Energy: 1.9272712392083664
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Energy: 1.9528466940532303
Energy: 1.9074182947581098
Energy: 2.004933427358004
Energy: 2.095231486195291
Energy: 1.9488208859328613
Energy: 1.9342301361524363
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Energy: 2.097472164779554
Energy: 1.9944881542218063
Energy: 1.9942702199967386
Energy: 2.2788725787607915
Energy: 2.0012042542737714
Energy: 2.031566136802347
Energy: 2.0770679366277514
Energy: 1.9495518807816015
Energy: 2.013023996490675
Energy: 2.076253425829217
Energy: 2.1308588810088445
Energy: 2.0107717671001177
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Energy: 2.015601862299164
Energy: 1.9732259505780911
Energy: 2.0541980257524632
Energy: 2.00485029171413
Energy: 2.038814877903545
Energy: 1.9920417234286256
Energy: 1.9557376053750812
Energy: 2.1459521554824534
Energy: 2.060146050293727
Energy: 2.112570397376663
Energy: 1.9280155554891243
Energy: 1.948428655684369
Energy: 2.1010477212394454
Energy: 2.0101458337520213
Energy: 2.0097019714653195
Energy: 2.0492107283145624
Energy: 2.114051615079765
Energy: 2.1397806875187615
Energy: 2.0119894401450424
Energy: 2.018304638647493
Energy: 2.047734852996188
Energy: 1.9482915384222876
Energy: 2.0079859176764554
Energy: 2.0111153775682133
Energy: 2.1219568941730254
Energy: 2.027390752319444
Energy: 1.997162230131472
Energy: 2.1082542471254304
Energy: 2.0738374112401767
Energy: 2.0464358874186823
Energy: 1.9568203686065264
Energy: 2.4680052287695333
Energy: 1.9844653762332842
Energy: 2.2188751871177064
Energy: 2.468527862721399
Energy: 1.9457513270106743
Energy: 2.02742004688055
Energy: 2.1647758126742795
Energy: 2.0491158571914894
Energy: 1.9438557447013793
Energy: 2.009775689507381
Energy: 2.073144589493885
Energy: 1.966546372749182
Energy: 1.9382447788497583
Energy: 1.9436096810636774
Energy: 2.225119258309635
Energy: 2.00994491073626
Energy: 2.2073188178984036
Energy: 2.004353844965158
Energy: 1.9407708069257101
Energy: 2.010092674577481
Energy: 2.245596314894059
Energy: 1.9368103814314936
Energy: 2.028072995794401
Energy: 2.1383689377547945
Energy: 2.1185857424691594
Energy: 2.0500744730642526
Energy: 1.9420586942703806
Energy: 2.3682304287886096
Energy: 2.193893993263991
Energy: 2.3435736026506206
Energy: 2.3200364508223212
Energy: 1.988345612382916
Energy: 1.9976827030853674
Energy: 2.1985498909178878
Energy: 1.9395579766208328
Energy: 1.9457658170890635
Energy: 1.9482607752068446
Energy: 2.0811741549392266
Energy: 2.056176818788858
Energy: 1.9976547262370703
Energy: 1.9424674381364389
Energy: 1.9889250523642963
Energy: 1.943573516164969
Energy: 1.9394206996638514
Energy: 1.9417459973458393
Energy: 1.9396929659375168
Energy: 2.040603048813934
Energy: 1.8989909335963349
Energy: 1.9695320116567956
Energy: 1.8999474128572562
Energy: 1.9043591624214962
Energy: 2.11757524723126
Energy: 1.901194105891582
Energy: 1.9062279578328651
Energy: 2.1092305346056697
Energy: 2.215011691647911
Energy: 1.9035283498257844
Energy: 1.8967822766520677
Energy: 1.9073334504427852
Energy: 2.017614109284375
Energy: 2.011964953780822
Energy: 2.0128852496223133
Energy: 1.9017541055148546
Energy: 2.0155234522462373
Energy: 2.084689798977572
Energy: 2.054691531901346
Energy: 1.9170767561697482
Energy: 2.1535436475687617
Energy: 2.1673015614502242
Energy: 1.9009586576591504
Energy: 1.963102082562534
Energy: 1.90642241880863
Energy: 2.0346726255070813
Energy: 2.0041853427271605
Energy: 1.9093551602580248
Energy: 1.9069117547050316
Energy: 2.0355376113517485
Energy: 1.9560948683228585
Energy: 2.1666432968670435
Energy: 1.9278906328559364
Energy: 1.9270985392705358
Energy: 2.0932149116157617
Energy: 2.029674904088401
Energy: 1.904877597342687
Energy: 2.0113887939632797
Energy: 2.0790708767019037
Energy: 2.0510249854510345
Energy: 1.9393840077864648
Energy: 1.9343014229613174
Energy: 2.1409868845901174
Energy: 1.9343655248227616
Energy: 2.126216600683574
Energy: 2.2715045263868787
Energy: 1.996236304525581
Energy: 2.0015156842250037
Energy: 2.0294550295609315
Energy: 1.9343246675801375
Energy: 2.03268188268582
Energy: 2.000081857578615
Energy: 2.070525598720372
Energy: 2.0481793445778442
Energy: 1.995674283675917
Energy: 2.115632495845562
Energy: 2.1291423775411236
Energy: 2.127566439794729
Energy: 1.9717226555250063
Energy: 1.9939614149772151
Energy: 2.029880117268756
Energy: 2.063626710353438
Energy: 2.080702565901815
Energy: 2.012656572720935
Energy: 1.9574759615152726
Energy: 2.154138021412963
Energy: 2.0582507182132592
Energy: 2.01640581817421
Energy: 1.9877252910057785
Energy: 2.047800686889888
Energy: 2.174171145840786
Energy: 2.038549529352941
Energy: 1.993829305173536
Energy: 2.029913717866028
Energy: 2.0019336532901364
Energy: 2.435005508021004
Energy: 2.000576427029635
Energy: 1.99931108157879
Energy: 1.991350826588671
Energy: 2.1814963069212303
Energy: 2.0268871335249834
Energy: 2.0129075838887682
Energy: 2.264980858453107
Energy: 2.005124610584598
Energy: 1.998958494920283

minimum gb energy = 1.8941869413170118 eV
minimum distance =  2.4557990510431 Angstroms
sigma value = 75


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

Energy: 3.2688858975133805
Energy: 2.0778293154460568
Energy: 2.0491837610857253
Energy: 2.112545529862376
Energy: 2.074230506562329
Energy: 2.070963567361851
Energy: 2.0055661485065106
Energy: 2.0858880660628674
Energy: 2.0699480458937685
Energy: 2.5558535016872295
Energy: 1.9973109812916334
Energy: 2.02150815286259
Energy: 2.065753968320571
Energy: 2.103345219918994
Energy: 2.2730774139654937
Energy: 2.0636521168402204
Energy: 2.082783628340053
Energy: 2.054516373200688
Energy: 2.0319198111036165
Energy: 2.084833652395765
Energy: 2.1841837746108808
Energy: 2.0628457473613495
Energy: 2.0654811917383773
Energy: 2.0497524892664574
Energy: 2.0457630396527406
Energy: 2.2432277671231393
Energy: 2.2466746755064606
Energy: 2.0746949893281252
Energy: 2.2611664442384845
Energy: 2.164367896369037
Energy: 2.364997997793993
Energy: 2.0709160062289818
Energy: 2.252039659926302
Energy: 2.161101466780662
Energy: 2.1172502553726145
Energy: 2.0473498757368085
Energy: 2.0529325599940726
Energy: 2.0565932668593137
Energy: 2.057920004035177
Energy: 2.0883283543699998
Energy: 2.15445249704153
Energy: 2.0397756617862
Energy: 2.02478931117408
Energy: 2.117530013165273
Energy: 2.056216200269909
Energy: 2.064721187408228
Energy: 2.0702407700671426
Energy: 2.056481614782483
Energy: 2.0898413302753096
Energy: 2.0671800188489806
Energy: 1.9756921885894165
Energy: 2.0813592180660505
Energy: 2.0313026002679786
Energy: 2.0348823065219044
Energy: 2.058427598256439
Energy: 2.0497335646862025
Energy: 2.0853793267021787
Energy: 1.980410869148984
Energy: 2.096866255480257
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Energy: 2.0818438435259767
Energy: 2.0787605556058946
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Energy: 2.055278838164353
Energy: 1.9874837629558204
Energy: 1.9810241646209212
Energy: 1.9802665186786677
Energy: 2.0904353150304615
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Energy: 2.084488486282207
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Energy: 2.111496748212708
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Energy: 2.1038028314300448
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Energy: 2.119497882990851
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Energy: 2.1076769678548266
Energy: 2.128156660467286
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Energy: 2.2184201828428503
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Energy: 2.0949381934053557
Energy: 2.074326579927308
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Energy: 2.1002172371456416
Energy: 2.21045755650747
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Energy: 2.2154994130516075
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Energy: 2.3128087262260073
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Energy: 2.126352207589016
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Energy: 2.0839903713535173
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Energy: 2.0599593677557246
Energy: 2.1008154625695856
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Energy: 2.038678433601889
Energy: 2.0417663028432047
Energy: 2.057764153342735
Energy: 2.0388040375066683
Energy: 2.1152853129190796
Energy: 2.098365214377022
Energy: 2.1138760069002984
Energy: 2.102199073005101
Energy: 2.174919773037359
Energy: 2.152363475869673
Energy: 2.0699285345014036
Energy: 2.105204578701763
Energy: 2.090742415690536
Energy: 2.174555734063
Energy: 2.0740928467106623
Energy: 2.110131941742533
Energy: 2.0899785546364638
Energy: 2.6904072708724773
Energy: 2.091962154482388
Energy: 2.0791570792576546
Energy: 2.2882993778441474
Energy: 2.2847480227087362
Energy: 2.1567747797815695
Energy: 2.0571305045297947
Energy: 2.0566683073124468
Energy: 2.023381179555654
Energy: 2.0077577143522185
Energy: 2.028579490413865
Energy: 2.0783235183195794
Energy: 1.981762886217182
Energy: 1.995939229914063
Energy: 2.0424126124105717
Energy: 2.0373207220920806
Energy: 2.044995032476177
Energy: 2.0410954585873795
Energy: 2.0594167829382686
Energy: 2.0673026581685057
Energy: 2.0551466598177868
Energy: 2.0983762544976714
Energy: 2.0147433255105045
Energy: 2.0662583296568995
Energy: 2.0596935366997533
Energy: 2.0371725691006866
Energy: 2.106777559880517
Energy: 2.0351712972862614
Energy: 1.978645616923096
Energy: 2.0915719044727634
Energy: 2.0245752830799706
Energy: 2.0515499806631516
Energy: 2.069844880171515
Energy: 2.0987123679530493
Energy: 2.0508778291373453
Energy: 2.051061149391294
Energy: 2.029063872484226
Energy: 2.0235577741357362
Energy: 1.9761586781272198
Energy: 2.055686438986487
Energy: 2.035197496425217
Energy: 2.051100936681934
Energy: 2.055808495474334
Energy: 2.0799840131227305
Energy: 2.0951783330107028
Energy: 2.130636134175188
Energy: 2.181039009869605
Energy: 2.0943854262596258
Energy: 2.0908137497743158
Energy: 2.1321295573326617
Energy: 1.999776202539443
Energy: 2.295359186714293
Energy: 2.0970565662060032
Energy: 2.0798836897730206
Energy: 2.0899703578256985
Energy: 2.180667808965511
Energy: 2.130511759152816
Energy: 2.1320871848860903
Energy: 2.186511617126753
Energy: 2.285367398578204
Energy: 2.476256702955226
Energy: 2.159038397876389
Energy: 2.2401584639053427
Energy: 2.1367101148146044
Energy: 2.313800571352981
Energy: 2.084767933638025
Energy: 2.0292222668944513
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minimum gb energy = 1.9541938990617818 eV
minimum distance =  2.43960273603885 Angstroms
sigma value = 105


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

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Energy: 1.9667422189455535
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Energy: 2.34536425298821
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Energy: 2.252163460735026
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Energy: 2.0678138306020037
Energy: 2.1186143579795265
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Energy: 2.2754211007836176
Energy: 2.003455068896825
Energy: 2.0150985767808853
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Energy: 2.4009695853425854
Energy: 2.0885891680781774
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Energy: 2.092609153212894
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Energy: 2.252394481958995
Energy: 2.237202739780649
Energy: 2.056685591647252
Energy: 2.0915340910157343
Energy: 1.9914514117513362
Energy: 2.126457249142537
Energy: 2.30315494639135
Energy: 2.168536931885231
Energy: 2.229426722383739
Energy: 2.2070601702019723
Energy: 2.2386622438703934
Energy: 2.1986960144163996
Energy: 1.9877291103730008
Energy: 2.02162021205221
Energy: 2.007646760633328
Energy: 1.9648740704534609
Energy: 1.9574139985099197
Energy: 1.976440902290485
Energy: 1.9946987644054381
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Energy: 2.2098304933470416
Energy: 2.2094626790685203
Energy: 1.9707090446178153
Energy: 2.0064631521945975
Energy: 1.9839478845363767
Energy: 1.9948683745475415
Energy: 1.9997410731403469
Energy: 2.0302710537386295
Energy: 2.1094969206892236
Energy: 1.9870900193391017
Energy: 2.069711725735225
Energy: 2.0572072798829173
Energy: 2.0027573097691596
Energy: 1.9904096791799755
Energy: 1.9580668035939393
Energy: 1.988240787576533
Energy: 2.009777800059325
Energy: 1.9618696027140183
Energy: 2.0871721944805626
Energy: 1.960697258313748
Energy: 2.161823274099557
Energy: 1.9290304871191328
Energy: 2.1027950885438247
Energy: 2.279393746968062
Energy: 2.2501897733712344
Energy: 1.9933612395710074
Energy: 1.9949287746965847
Energy: 2.0297010845901364
Energy: 2.0723168580540268
Energy: 2.153921934542157
Energy: 2.084735012169991
Energy: 2.1460924318950703
Energy: 2.068850675331471
Energy: 2.3329703716889916
Energy: 2.2686803893563545
Energy: 2.248912342137334
Energy: 2.2560727189663057
Energy: 2.0065674613780815
Energy: 2.2535339212364818
Energy: 2.0608096322751073
Energy: 2.039741315468572
Energy: 2.0985991182730466
Energy: 1.9995760144194121
Energy: 2.186165147063028
Energy: 2.1912475197592167
Energy: 2.2542071329477142
Energy: 2.273068111135307
Energy: 2.129708719082232

minimum gb energy = 1.8546117030993952 eV
minimum distance =  2.45298342274425 Angstroms
sigma value = 165


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

Energy: 2.789553436809407
Energy: 1.947631384559329
Energy: 1.877527231590173
Energy: 2.002356729958529
Energy: 1.9700794823023682
Energy: 1.8778847596240935
Energy: 1.8786503688749836
Energy: 1.998721979434417
Energy: 1.9342383790996074
Energy: 1.9481465272903238
Energy: 1.9647640375949555
Energy: 2.057284069804897
Energy: 2.126102289357549
Energy: 2.4523597965749313
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Energy: 1.9340468697861084
Energy: 1.8796024985910114
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Energy: 1.8798778197262938
Energy: 1.970764537790059
Energy: 1.9445166546233639
Energy: 1.9330121869497434
Energy: 1.970514830916102
Energy: 2.062087624943918
Energy: 2.0158311261186084
Energy: 1.9607967705144689
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Energy: 2.4211742849023694
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Energy: 1.9747806764816025
Energy: 2.419745844290267
Energy: 2.4204493087009795
Energy: 1.878284541833022
Energy: 1.933617489695958
Energy: 1.9599579350751308
Energy: 1.999113828231245
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Energy: 1.877574475551027
Energy: 1.8743918490321883
Energy: 2.4208114800898874
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Energy: 1.878251202496938
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Energy: 1.9725972760901478
Energy: 1.943001547461878
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Energy: 1.960455251769943
Energy: 2.0307869297282672
Energy: 1.8668206092278625
Energy: 1.8811177599662379
Energy: 1.877760788181127
Energy: 1.9462203714195387
Energy: 2.0249071766489295
Energy: 1.9472028144725206
Energy: 1.9726953009474009
Energy: 1.9598661870162273
Energy: 1.97136933374459
Energy: 1.9429979725705278
Energy: 1.8779269033526715
Energy: 1.8788667724087431
Energy: 1.962661109947943
Energy: 1.9741213678718235
Energy: 1.9730664857521159
Energy: 1.9513646030026495
Energy: 2.0206823585616225
Energy: 1.973621837972802
Energy: 1.8687495494401858
Energy: 1.8831057657946706
Energy: 1.9203347853096213
Energy: 1.8816536129162287
Energy: 1.959103696420327
Energy: 1.9596089655025122
Energy: 1.902225895836478
Energy: 2.033635013437917
Energy: 2.421195072677507
Energy: 2.1275337546815862
Energy: 1.8797881935337264
Energy: 1.8805806542861672
Energy: 1.8789016501275164
Energy: 1.9644916592392938
Energy: 1.970339488570842
Energy: 1.9329053800060854
Energy: 1.9470997033650908
Energy: 1.8392050373274405
Energy: 1.958976285960106
Energy: 2.0851667958603275
Energy: 2.102489925705612
Energy: 2.126935712425852
Energy: 1.9364346757984294

minimum gb energy = 1.8122944417616902 eV
minimum distance =  2.44467359291894 Angstroms
sigma value = 41


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

Energy: 3.8057806437159485
Energy: 2.430030316308131
Energy: 2.557673697726043
Energy: 1.9916052438172622
Energy: 1.9219848583544226
Energy: 2.017420683059575
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Energy: 2.2490340741290655
Energy: 1.882353210669986
Energy: 1.9115003316991852
Energy: 1.906418245574603
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Energy: 2.0302381718325155
Energy: 1.867141800887014
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Energy: 1.9001675867904992
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Energy: 2.445221380042151
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Energy: 1.845970728720898
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Energy: 2.061041808264823
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Energy: 1.9359177311393165
Energy: 1.90527970030333
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Energy: 2.0837330024058662
Energy: 1.9875794576241086
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Energy: 1.7928070300731378
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Energy: 2.009847053997208
Energy: 1.9014161160475127
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Energy: 1.9890577071601794
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Energy: 1.9148457116456081
Energy: 2.123900360188634
Energy: 2.157377984551175
Energy: 2.1285430593694867
Energy: 2.070267442222179
Energy: 1.8955214682530523
Energy: 1.878705604756915
Energy: 2.0026185228575337
Energy: 2.2530107258574326
Energy: 2.074280867235721
Energy: 2.0153307249934698
Energy: 2.4564351065834473
Energy: 2.262402793523859
Energy: 2.05321467202476
Energy: 1.8534697358437344
Energy: 1.8889363573819946
Energy: 1.8005549027468795
Energy: 2.0212770888651495
Energy: 2.0475390744639665
Energy: 2.004463406380542
Energy: 2.066148045772505
Energy: 2.0072528806501513
Energy: 2.045013208019629
Energy: 2.060544779045039
Energy: 2.058072017483797
Energy: 1.9137757636184871
Energy: 1.9011022813918543
Energy: 1.891685859519429
Energy: 1.9150081165191764
Energy: 1.9972095637444947
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Energy: 2.042320337852895
Energy: 2.0858024906519086
Energy: 2.084901841536294
Energy: 2.0201385144964004
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Energy: 1.9119563098315284
Energy: 1.8891350699280356
Energy: 1.9381222638604712
Energy: 1.9877768065052592
Energy: 2.0308411879306543
Energy: 1.9852261964107216
Energy: 1.9479109433513837
Energy: 1.9896909040944033
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Energy: 1.9122107211865513
Energy: 1.8575167902902348
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Energy: 1.9689893425814304
Energy: 2.0256205858248637
Energy: 2.0562289549351864
Energy: 2.022811994222011
Energy: 2.071361356703362
Energy: 1.9886327611828392
Energy: 2.3508981376028117
Energy: 2.0302120391117047
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Energy: 1.853769030049986
Energy: 2.0579886160732745
Energy: 2.09870426949409
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Energy: 1.8925127641798989
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Energy: 2.0250257800785305
Energy: 1.9042688297532806
Energy: 1.8200243777988536
Energy: 2.358111316313264
Energy: 2.0713041810181356
Energy: 1.860131399043833
Energy: 1.9572224152512894
Energy: 2.0811720744708384
Energy: 2.1623274397081227
Energy: 1.9608591698218125
Energy: 2.481188917785868
Energy: 1.9827304333223246
Energy: 1.955508477115994
Energy: 2.0564658395764
Energy: 2.0784526942494943
Energy: 1.9360866589910082
Energy: 2.0417126764355857
Energy: 2.0894925322295967
Energy: 2.1990300986558258
Energy: 2.079827973545656
Energy: 1.88424517152297
Energy: 1.9238176028559402
Energy: 2.056253102903352
Energy: 2.0176480332392708
Energy: 1.9531631855018108
Energy: 2.0905625013185363
Energy: 2.3516421231588915
Energy: 2.2807936295930697
Energy: 2.2044014974579467
Energy: 2.217182390131614
Energy: 1.8303027955192888
Energy: 1.868695279221288
Energy: 1.9922518967388654
Energy: 1.8549342185953412
Energy: 1.8617113279544075
Energy: 1.9305392384872462
Energy: 1.9841102417999001
Energy: 2.0671747265024645
Energy: 2.1871552780860397
Energy: 2.0739437959948543
Energy: 2.0634242127675915
Energy: 1.958947209542003
Energy: 1.891657150832387
Energy: 1.8548571752872538
Energy: 1.9540907026701761
Energy: 1.899347119910791
Energy: 1.947495836806261
Energy: 2.061965015781873
Energy: 2.143448240733531
Energy: 2.108242603600983
Energy: 2.0812386975610417
Energy: 2.02115500760704
Energy: 1.8558975672715086
Energy: 1.8609248477557088
Energy: 1.936494730037644
Energy: 2.025292816050754
Energy: 2.0971850742027223
Energy: 1.9270067277735947
Energy: 2.0614851246536854
Energy: 1.9881399752536055
Energy: 2.0746539843106526
Energy: 1.9463032151648965
Energy: 1.866809901955137
Energy: 1.8107121976154612
Energy: 2.0733474784075416
Energy: 2.0669753473647376
Energy: 2.0465527833643136
Energy: 1.9274066510660952
Energy: 2.0707919796708407
Energy: 2.071201536250559
Energy: 1.986951663832214
Energy: 2.558107895660437
Energy: 2.0937667821752526

minimum gb energy = 1.787439448504914 eV
minimum distance =  2.43377902443342 Angstroms
sigma value = 185


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

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Energy: 2.379932230183778
Energy: 2.0457975090872265
Energy: 1.9033046522270314
Energy: 1.9026588515246798
Energy: 1.9476914687549183
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Energy: 1.8599523439901302
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Energy: 2.058343921353075
Energy: 2.104149064553184
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Energy: 2.287639063805595
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Energy: 1.9213678929498463
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Energy: 2.0534104249301586
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Energy: 1.7115308272462328
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Energy: 1.9348996576593294
Energy: 1.905852649691264
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Energy: 1.921962370417216
Energy: 1.9995282088848052
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Energy: 2.2483350573918273
Energy: 2.3847554214517808
Energy: 2.0287095814778064
Energy: 1.904032298891529
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Energy: 1.9360132007431166
Energy: 1.901809148765077
Energy: 2.045472744765566
Energy: 2.0542724375653902
Energy: 1.9510180661753977
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Energy: 1.9033186176987333
Energy: 2.1209546941996464
Energy: 1.9019965157287368
Energy: 2.054888136930747
Energy: 2.054694256677219
Energy: 2.046899738945743
Energy: 1.7113073922644804
Energy: 1.712571579884481
Energy: 1.9082057548151814
Energy: 2.0600545386955464
Energy: 1.9026848516275652
Energy: 1.9040802469380331
Energy: 2.0465396585166666
Energy: 2.0521820401881463
Energy: 2.2826138586349076
Energy: 2.0553775189872465
Energy: 1.7143950737338083
Energy: 1.7739020602353612
Energy: 1.8651972255533573
Energy: 1.9057331856401443
Energy: 1.937322489345257
Energy: 1.9040957221638357
Energy: 2.0462591855665426
Energy: 2.054047029231599
Energy: 2.0460460527116995
Energy: 1.7113519575537084
Energy: 1.9037972475073766
Energy: 1.902082342249224
Energy: 1.913395145824193
Energy: 1.9079273998347483
Energy: 1.7737925686342222
Energy: 1.7104259289006967
Energy: 1.7118524947836196
Energy: 2.112242572818774
Energy: 1.9462681403338937
Energy: 2.0539109104739866
Energy: 2.027589021748564
Energy: 2.0301487401794374
Energy: 2.0790658946951637
Energy: 1.9021418088303006
Energy: 1.935759681809918
Energy: 1.9032953029724464
Energy: 2.109538073299809
Energy: 2.0972572337184943
Energy: 2.4014603431192474
Energy: 2.3821106931555622

minimum gb energy = 1.708463164595969 eV
minimum distance =  2.4496396477176 Angstroms
sigma value = 33


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

Energy: 3.2566876251888455
Energy: 2.1544938066041133
Energy: 2.017037161720141
Energy: 1.9911010180513435
Energy: 2.0038052863665032
Energy: 2.140869408044834
Energy: 2.0136733162512788
Energy: 2.1056122476963997
Energy: 2.0551805881137244
Energy: 2.1528938464589107
Energy: 1.868250700822791
Energy: 2.036954410177154
Energy: 2.101524149394816
Energy: 2.0900513033277233
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Energy: 2.107713597717913
Energy: 2.078640700281947
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Energy: 1.902578092222829
Energy: 1.9026000208062634
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Energy: 2.0054050974794455
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Energy: 2.022803740538246
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Energy: 2.0098086840974583
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Energy: 1.8628164378476317
Energy: 2.0204211592780466
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Energy: 1.9867435272585092
Energy: 2.260340321556693
Energy: 2.0572146137488923
Energy: 2.306969200121417
Energy: 2.0132740507483495
Energy: 2.0346137528832844
Energy: 2.0311929133121907
Energy: 2.1145983014391074
Energy: 2.0598255294631334
Energy: 1.9527853911651822
Energy: 1.8927927233205772
Energy: 2.1170558958486625
Energy: 2.2620784659252267
Energy: 2.181240131289497
Energy: 2.129120371485575
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Energy: 2.128993128842418
Energy: 2.3186002682781526
Energy: 1.9346944543714615
Energy: 1.935782852662819
Energy: 1.8912885800080361
Energy: 2.048268382842803
Energy: 2.1012216655056477
Energy: 2.0235233558047456
Energy: 1.9974581163545473
Energy: 2.045672063038855
Energy: 2.1895852005189322
Energy: 2.1067855880243496
Energy: 1.936243201675013
Energy: 1.936283481396138
Energy: 1.926294770580955
Energy: 1.9263317869472039
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Energy: 2.2345418107691235
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Energy: 2.010788902944286
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Energy: 2.1346879188691177
Energy: 2.1873429468903574
Energy: 2.1080722741185416
Energy: 1.9063892018186674
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Energy: 1.948193184896593
Energy: 2.2178968503134953
Energy: 2.0125050614411197
Energy: 2.108471190801463
Energy: 2.0686096118525574
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Energy: 2.0031396003426796
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Energy: 1.9890076294605994
Energy: 1.9811125273605068
Energy: 2.108278891819055
Energy: 1.9657429309779966
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Energy: 2.24730204916568
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Energy: 2.0558495944084147
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Energy: 2.055476411171291
Energy: 2.012347455990612
Energy: 2.1682310931076407
Energy: 2.0489129523222718
Energy: 2.18625405353581

minimum gb energy = 1.8628164378476317 eV
minimum distance =  2.44965199767597 Angstroms
sigma value = 219


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

Energy: 2.9807927228625632
Energy: 1.7972489363706212
Energy: 1.825837644436198
Energy: 1.8252711036579503
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Energy: 1.931027568603833
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Energy: 1.822742662943113
Energy: 1.979664813656361
Energy: 1.8736009300304004
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Energy: 1.8332071437793585
Energy: 1.8305640075550909
Energy: 1.922573437701066
Energy: 1.872411535094569
Energy: 1.8291874676553936
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Energy: 1.8663023839234743
Energy: 1.8728520694682764
Energy: 1.8250969436528883
Energy: 1.8264026688541963
Energy: 1.9797965319350446
Energy: 1.800990457196052
Energy: 1.873195448295753
Energy: 1.8722133869756974
Energy: 1.8240962181969356
Energy: 1.8740026590191843
Energy: 1.8319169284054118
Energy: 1.8003875320209286
Energy: 1.8621403462021133
Energy: 1.8312757261451749
Energy: 1.8224168340620086

minimum gb energy = 1.7744713585607068 eV
minimum distance =  2.46000913401422 Angstroms
sigma value = 15


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

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Energy: 1.9931828295929803
Energy: 2.1783318700446195
Energy: 2.182466762501287
Energy: 2.001496505281979
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Energy: 2.1806682712901813
Energy: 2.002783001675157
Energy: 1.9896480657487483
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Energy: 2.0265617102455433
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Energy: 2.2303702212155345
Energy: 2.031709327527063
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Energy: 2.1623693386344045
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minimum gb energy = 1.9800856763273957 eV
minimum distance =  2.42805855120732 Angstroms
sigma value = 293


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

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Energy: 2.307314028923799
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Energy: 2.31488609467047
Energy: 2.320024873040261
Energy: 2.2458430598519894
Energy: 2.0466413145369553
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Energy: 2.195080441568732
Energy: 2.189409456233761
Energy: 2.0255726666684346
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Energy: 2.239738517549264
Energy: 2.1580272835605316
Energy: 2.066002905359356
Energy: 2.1748632439276103
Energy: 2.275053300918633
Energy: 2.381538547736088
Energy: 2.4497592616198554
Energy: 2.1393497896287097
Energy: 2.014590069374922
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Energy: 2.156201112437625
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Energy: 2.0015404714122775
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Energy: 2.2447559335003966
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Energy: 2.238181192227252
Energy: 2.2746358639746496
Energy: 2.5437684947534316
Energy: 2.14071284503858
Energy: 2.0497410699038094
Energy: 2.0025051520120494
Energy: 1.9767069829187542
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Energy: 2.0259045652222527
Energy: 2.3996772109883597
Energy: 2.248070455329255
Energy: 2.245277844811587
Energy: 2.2497247364157023
Energy: 2.2687372905717105
Energy: 2.1035897976334894
Energy: 2.133220547705223
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Energy: 2.066744839948683
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Energy: 2.406261848851027
Energy: 2.1691490198361474
Energy: 2.045448070509693
Energy: 2.455143736210788
Energy: 2.248427843462225
Energy: 2.1034220692781216
Energy: 2.0987732309798264
Energy: 2.1094756041324194
Energy: 2.1309813483915727
Energy: 2.271151252766912
Energy: 2.215490235084845
Energy: 2.166255150365864
Energy: 2.1053612126354464
Energy: 2.049585985745588
Energy: 2.2973351447269637
Energy: 2.1368841233776306
Energy: 2.070463334120595
Energy: 2.1375216768246594
Energy: 2.0961880271669355
Energy: 2.1778612699045836
Energy: 2.2719562105018736
Energy: 2.0897891395590262
Energy: 2.4297730973939147
Energy: 2.0503858346876322
Energy: 2.3006203532148883
Energy: 2.0764441957288504
Energy: 2.220945227106774
Energy: 2.1469052736824885
Energy: 2.149874686391921
Energy: 2.001125896960442
Energy: 2.0009593538551775
Energy: 2.006751804400511
Energy: 2.275617885279609
Energy: 2.2168693113672227
Energy: 2.328239045555398
Energy: 2.349080670511943
Energy: 2.4724705774354616
Energy: 2.371936016044662
Energy: 2.1462539449126563
Energy: 1.977461005707434
Energy: 2.121487917569443
Energy: 2.0499874885907285
Energy: 2.210762777836628
Energy: 2.217788265231465
Energy: 2.3363221644743604
Energy: 2.048789624172578
Energy: 2.3897306839921466
Energy: 2.1516983368194733
Energy: 2.1494089345190384
Energy: 1.9788077470454957
Energy: 1.977940180336683
Energy: 2.049652653141871
Energy: 2.1413454691703206
Energy: 2.1200901331237314
Energy: 2.2974267502607475
Energy: 2.3300475881377714
Energy: 2.089662934835605
Energy: 2.019920037784577
Energy: 2.152469375552226
Energy: 1.9786752109203176
Energy: 2.05266351555493
Energy: 2.0025685901029306
Energy: 2.050884731414615
Energy: 2.162529705816112
Energy: 2.134918297088333
Energy: 2.3740767191677947

minimum gb energy = 1.9767069829187542 eV
minimum distance =  2.43773533242388 Angstroms
sigma value = 293


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

Energy: 2.5252864569584514
Energy: 2.04953907988047
Energy: 2.156425502365913
Energy: 2.332250586719107
Energy: 1.9505192101111501
Energy: 1.995120298111852
Energy: 1.8768146098131913
Energy: 1.94365251831547
Energy: 1.9509184130664314
Energy: 2.160389556655566
Energy: 1.7492576016148105
Energy: 1.9501418162989503
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Energy: 1.8656245226135753
Energy: 1.9301354602543994
Energy: 11.463755712085582
Energy: 1.9520275215852652
Energy: 2.156679318572797
Energy: 2.1566610604076386
Energy: 1.9722850845037767
Energy: 1.9934555175323028
Energy: 1.9456284680285567
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Energy: 1.8631620410273504
Energy: 1.9505933807282267
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Energy: 1.7530108174033279
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Energy: 1.8624559611212894
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Energy: 1.9931136149786262
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Energy: 1.928785031230415
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Energy: 1.8529636963118497
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Energy: 2.156227935103027
Energy: 1.9699937451477683
Energy: 1.943870483505619
Energy: 1.8571223650911746
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Energy: 1.9920644505408125
Energy: 1.9461437549892384
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Energy: 1.9897486392912105
Energy: 1.9520989176610994
Energy: 1.8562240319894958
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Energy: 1.8788923656404877
Energy: 1.9531469631925047
Energy: 1.9504461996275275
Energy: 11.343539924015053
Energy: 1.9959820385787785
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Energy: 1.9956591193273427
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Energy: 2.156052078322061
Energy: 1.860208977628142
Energy: 1.9956074621806006
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Energy: 1.943816129860145
Energy: 1.9532109524332002
Energy: 2.054463774981357
Energy: 1.7490196999121903
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Energy: 2.156926286907761
Energy: 2.3319206379740454
Energy: 1.929823927895579
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Energy: 1.8518083357234032
Energy: 2.1558808585722167
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Energy: 1.9447265707904533
Energy: 1.9430120605266032
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Energy: 1.950956300805824
Energy: 2.157180060398049
Energy: 2.1574406187657638
Energy: 2.1575949024422467
Energy: 1.950670618525189
Energy: 2.016497208678699
Energy: 1.7531357761182278
Energy: 1.9444842065343944
Energy: 1.9505065701333248
Energy: 1.7492031412824447
Energy: 2.158600651606427
Energy: 2.0833612557239727
Energy: 2.2144518929781523
Energy: 1.9294843969919724
Energy: 1.994647672772044
Energy: 1.949160669482713
Energy: 1.8513888326341614
Energy: 1.9454117225028775
Energy: 1.9270453105053882
Energy: 2.165216157459138
Energy: 1.7496060750684823
Energy: 1.8524551721071187
Energy: 2.1555552609631987
Energy: 2.3302785140427513
Energy: 2.156778321430243
Energy: 1.862995983737621
Energy: 1.9458043374458007
Energy: 1.9934252517175566
Energy: 1.9516981715082544
Energy: 1.9527329441202688
Energy: 11.308345440468845
Energy: 1.990548802593259
Energy: 1.8637544643901296
Energy: 2.1562114164426798
Energy: 2.155912224529844
Energy: 1.9698348885545782
Energy: 1.9439721630652043
Energy: 1.8535187192829752
Energy: 1.9460557033622443
Energy: 1.9275576941695551
Energy: 11.35662229992388
Energy: 11.419396811073469
Energy: 1.8611613033952525
Energy: 1.9708460713429934
Energy: 2.154649624050773
Energy: 1.8622428351808147
Energy: 1.9331190656568353
Energy: 1.9923722384007123
Energy: 1.9462789269477543
Energy: 1.952548860917301
Energy: 1.861106471649655
Energy: 2.049931542105426
Energy: 2.1638017998833767
Energy: 1.9520784432165568
Energy: 1.9846442104100612
Energy: 1.9968740938591094
Energy: 1.951990869020905
Energy: 1.9503243088059425
Energy: 1.9455743817955997
Energy: 1.994285270426452
Energy: 1.9269391320068934
Energy: 1.749551630458371
Energy: 1.950117156509268
Energy: 1.9944832153384755
Energy: 1.8642201137268783
Energy: 2.332363446012258
Energy: 2.15555100708913
Energy: 1.9814362477046965
Energy: 1.945949976474285
Energy: 1.8743611238727909
Energy: 1.9512167381297907
Energy: 1.9286630117536576
Energy: 11.408159342555694
Energy: 1.7495244130171177
Energy: 1.9715412522179543
Energy: 2.159405627767867
Energy: 2.1565385906826724
Energy: 1.8602889330321573
Energy: 1.9500110250508071
Energy: 1.9464221776713335
Energy: 1.9915919376755988
Energy: 1.9510773271841841
Energy: 11.298035676075571

minimum gb energy = 1.7490196999121903 eV
minimum distance =  1.60695712360076 Angstroms
sigma value = 15


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

Energy: 2.330696165318768
Energy: 2.0286171022378827
Energy: 2.051828734834751
Energy: 2.0444584055649315
Energy: 2.1092313639284064
Energy: 2.366468284480956
Energy: 2.059432919233913
Energy: 2.0258572625689797
Energy: 2.0511631171876625
Energy: 2.088567114025885
Energy: 2.208457354887715
Energy: 2.4683597187340576
Energy: 2.2733053629889235
Energy: 2.179765444448767
Energy: 2.058990008585081
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Energy: 2.3136482808302645
Energy: 2.163202995962337
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Energy: 2.047603469362225
Energy: 2.0715522556431165
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Energy: 2.3415477631090997
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Energy: 2.3801745529792475
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Energy: 2.1178639851080194
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Energy: 2.28881046974352
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Energy: 2.049602173123353
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Energy: 2.0664739325999952
Energy: 2.0768329055539305
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Energy: 2.0297169391197922
Energy: 2.3073060242358854
Energy: 2.324227226966684
Energy: 2.2977045634223567
Energy: 2.2332030831142693
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Energy: 2.0537112134252067
Energy: 2.046268906735068
Energy: 2.3694810074119896
Energy: 2.0047411218202917
Energy: 2.031271795663063
Energy: 2.05258625813159
Energy: 1.9942962574740375
Energy: 2.2656153874208544
Energy: 2.052908144949576
Energy: 2.0636220877770235
Energy: 2.0897948128533277
Energy: 2.1944541597819436
Energy: 2.0416764465708988
Energy: 2.0036637208963963
Energy: 2.0079709135408623
Energy: 2.0071001802676265
Energy: 2.23060720081415
Energy: 2.2519740998968603
Energy: 2.610919138601231
Energy: 2.2033886080264664
Energy: 2.0040909088930228
Energy: 2.0963352182364683
Energy: 2.059214315921247
Energy: 2.0061666524920247
Energy: 2.004683152066101
Energy: 2.1432431000777545
Energy: 2.2929015328820914
Energy: 2.3774798225387688
Energy: 2.1677212453456707
Energy: 2.304233287124496
Energy: 2.0903213350090772
Energy: 2.071690064419636
Energy: 2.0623790584311106
Energy: 2.229073325504873
Energy: 2.006243081947656
Energy: 1.9996448031863512
Energy: 2.279604922619073
Energy: 2.203358570966291
Energy: 2.2885005631939803
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Energy: 2.034060701048746
Energy: 2.030939662028635
Energy: 2.078889744742201
Energy: 2.095728444028296
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Energy: 2.025989157138184
Energy: 2.230241639392371
Energy: 1.9924224032329874
Energy: 2.011232372175812
Energy: 2.1309956318435623
Energy: 2.078879388548746
Energy: 2.1172052091550784
Energy: 2.082789335108433
Energy: 2.1653764352184774
Energy: 2.146109968135536
Energy: 2.215035982046479
Energy: 2.2688382487753755
Energy: 2.16358788226422
Energy: 2.313135051814355
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Energy: 2.1170731108374086
Energy: 2.1616857294008245
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Energy: 2.249040430541321
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Energy: 2.168740413256005
Energy: 2.161568872197201
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Energy: 2.132320389831595
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Energy: 2.030318348761455
Energy: 2.0564454604792957
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Energy: 2.1163115754845645
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Energy: 2.163897265709488
Energy: 2.1647738532226453
Energy: 2.178561758085636
Energy: 2.206367092813035
Energy: 2.170675894077223
Energy: 2.164192649676191
Energy: 2.1183338132806435
Energy: 2.0926139512674964
Energy: 2.079128782023738
Energy: 2.1729400446112055
Energy: 2.1626977851234828
Energy: 2.163202819376263
Energy: 2.30731398847349
Energy: 2.133529541021347
Energy: 2.2318885910542536
Energy: 2.1646699589228016
Energy: 2.328570779578504
Energy: 2.333923405676669
Energy: 2.2616288513945397
Energy: 2.065750335122144
Energy: 2.0100626574572997
Energy: 2.112031185192103
Energy: 2.305682898937776
Energy: 2.032004695296392
Energy: 2.027910710555883
Energy: 2.045700219546108
Energy: 2.007553218861612
Energy: 2.2552231612992584
Energy: 2.0292417797452327
Energy: 2.111122630569565
Energy: 2.0771355273948098
Energy: 2.1534223021979724
Energy: 2.22634817411916
Energy: 2.007706262215832
Energy: 2.0671818935854125
Energy: 2.1394825904734818
Energy: 2.0073079905185187
Energy: 2.0052324347854946
Energy: 2.0303653203411107
Energy: 2.053123905017594
Energy: 2.084310464135585
Energy: 2.306217956081669
Energy: 2.170637374587749
Energy: 2.378080833297321
Energy: 2.3385129782685676
Energy: 2.137921274333256
Energy: 2.004441269978902
Energy: 2.003822111665719
Energy: 2.041153530261743
Energy: 2.051519778014497
Energy: 1.996414901340185
Energy: 2.1482192346486864
Energy: 2.4890988346844636
Energy: 2.314506563084656
Energy: 2.230434746973957
Energy: 2.0563973851075397
Energy: 2.0329623678795907
Energy: 2.0586300993183078
Energy: 2.366755714978273
Energy: 2.3141705423671985
Energy: 2.115975167204577
Energy: 2.1058113334438313
Energy: 2.051083703557429
Energy: 1.9915237139573956
Energy: 2.0081510856738
Energy: 2.2340854048533445
Energy: 2.0043713236440794
Energy: 2.0256685053619
Energy: 2.071696564424076
Energy: 2.04593018188765
Energy: 2.045048181912735
Energy: 2.0842634012981005
Energy: 2.230425647981962
Energy: 2.1580474166264203
Energy: 2.3234746190690365
Energy: 2.1966552956707237
Energy: 2.1057645548143373
Energy: 2.1143564390509115
Energy: 2.0805815257264517
Energy: 2.0674812891214973
Energy: 2.0452790432967207
Energy: 2.0466191508600495
Energy: 2.235873419440881
Energy: 2.2446568979017885
Energy: 2.4209646679330246
Energy: 2.286718657944476
Energy: 2.2001576977872
Energy: 2.1519197601164444
Energy: 2.0827395934826938
Energy: 2.1076311364578095
Energy: 2.1036500729558734
Energy: 2.2612837208792764
Energy: 2.308351309707323
Energy: 2.0962352945572986
Energy: 2.288524892925488
Energy: 2.0747231701615387
Energy: 2.0265438552772657
Energy: 2.011485523720333
Energy: 2.119493556221788
Energy: 2.1866970619879087
Energy: 2.2766452739692333
Energy: 2.273088249409755
Energy: 2.0489741482709998
Energy: 2.047153011732235
Energy: 2.1796357696310364
Energy: 2.0734624138076936
Energy: 2.2915189012145016
Energy: 2.231465928583698
Energy: 2.097594641324054
Energy: 2.1331105775769936
Energy: 2.1012367250297896
Energy: 2.2341552597116907
Energy: 2.308308924088362
Energy: 2.1170563024389892
Energy: 2.289236728749486
Energy: 2.0523369838012337
Energy: 2.1050681512941303
Energy: 2.230490809820103
Energy: 2.3157049752833134
Energy: 2.179014220423217
Energy: 2.183334905478118
Energy: 2.2355854126844257
Energy: 2.244416474506484
Energy: 2.106692574201832
Energy: 2.279775561722077
Energy: 2.0283432409626423
Energy: 2.069100333030027
Energy: 2.3090445340731796
Energy: 2.130129561412777
Energy: 2.2246793298082976
Energy: 2.140997652851736
Energy: 2.199851025459358
Energy: 2.010645209553147
Energy: 2.2750755236366773
Energy: 2.0521637347768173
Energy: 2.2319283980213513
Energy: 2.3369480503413738
Energy: 2.0475133772851186
Energy: 2.0105432442827684
Energy: 2.070976227338021
Energy: 2.12864861608418
Energy: 2.0660271506308794
Energy: 2.1129730849428654
Energy: 2.277871299279296
Energy: 2.288318946217275
Energy: 2.253725103656755
Energy: 2.2302385050302878
Energy: 2.0848944793109925
Energy: 2.0558134586995096
Energy: 2.046339161252804
Energy: 2.0832634099283243
Energy: 2.029834052393033
Energy: 2.030534314496982
Energy: 2.27882605148532
Energy: 2.164152985344814
Energy: 2.1704933978795453
Energy: 2.049057413027297
Energy: 2.062300095433684
Energy: 2.092100086648424
Energy: 2.107276447566431
Energy: 2.3737729415093014
Energy: 2.3472264720375393
Energy: 2.030938899333752
Energy: 2.050395614098145
Energy: 2.141340558758442

minimum gb energy = 1.9915237139573956 eV
minimum distance =  2.43203458418388 Angstroms
sigma value = 437


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

Energy: 2.89127542088813
Energy: 2.1146760715688413
Energy: 2.209732863186145
Energy: 2.1035865181660713
Energy: 2.1032011006796303
Energy: 2.075049241192438
Energy: 2.1184849423548755
Energy: 2.1674860606537822
Energy: 2.2744858844214737
Energy: 1.9803970860068778
Energy: 2.377509919349807
Energy: 2.0114502840431023
Energy: 2.0147139578366877
Energy: 2.10497412363661
Energy: 2.076286840834878
Energy: 1.998238142571156
Energy: 2.136350979018699
Energy: 2.122871693224031
Energy: 1.908779072674036
Energy: 1.9773184227545026
Energy: 2.4436893311534686
Energy: 2.187823783151401
Energy: 1.9787595276554704
Energy: 2.442219723922564
Energy: 2.075641218887882
Energy: 2.1071048017798666
Energy: 2.1512025588672743
Energy: 2.1135489878217353
Energy: 2.0210535142675625
Energy: 2.2528480415645467
Energy: 2.2888107534416124
Energy: 2.208008618757334
Energy: 2.3865557842016036
Energy: 2.1394466242157875
Energy: 2.1297260201497004
Energy: 2.08076001044747
Energy: 2.095796991093356
Energy: 2.195263442738497
Energy: 2.197724878255534
Energy: 2.2408009782746383
Energy: 2.1599910964089544
Energy: 2.34982449148458
Energy: 2.0543279571017865
Energy: 2.2853309480166106
Energy: 2.129844492152874
Energy: 2.079630902200676
Energy: 2.4072211290648795
Energy: 2.085861221796083
Energy: 1.9733322462807334
Energy: 2.0070975741997326
Energy: 2.0935631345858776
Energy: 1.973543849255174
Energy: 2.1692514064377053
Energy: 2.2129898009008446
Energy: 2.2151600304568193
Energy: 2.0674514692381396
Energy: 2.0888470371740424
Energy: 2.1829611762412235
Energy: 1.9746339481112385
Energy: 1.9733554850521262
Energy: 2.2836183104006076
Energy: 1.9735875207592397
Energy: 1.9409339194904205
Energy: 2.0672305642746953
Energy: 2.125112441399666
Energy: 2.109770028652012
Energy: 2.092839874190814
Energy: 2.0886599761906157
Energy: 1.9868551025024683
Energy: 2.032914791351416
Energy: 1.972416009362824
Energy: 1.8266831240513888
Energy: 1.8294121053417192
Energy: 1.9867375485213181
Energy: 2.280890977679678
Energy: 2.003925460990178
Energy: 2.228917138723297
Energy: 2.112971809173349
Energy: 2.0066677189680346
Energy: 1.9754352483412174
Energy: 2.3481294493224105
Energy: 1.9742894923527108
Energy: 2.013631975027078
Energy: 2.408502169237593
Energy: 2.082025545824916
Energy: 2.0757493474748694
Energy: 2.2114661641899027
Energy: 2.2540005170692683
Energy: 2.081490983335983
Energy: 1.9775678301176756
Energy: 2.378243058552334
Energy: 1.9739393958144344
Energy: 1.974928328315778
Energy: 2.1379667068692667
Energy: 2.1059095828920844
Energy: 2.1069229109708143
Energy: 2.0859437726596632
Energy: 2.1116584056458874
Energy: 2.1009100004871373
Energy: 2.2697930448763497
Energy: 2.216462982144014
Energy: 1.9541137064627407
Energy: 2.156127755540607
Energy: 2.2152164549619013
Energy: 2.0829974628359103
Energy: 2.0760196962083923
Energy: 2.0999990608218257
Energy: 2.213700975483888
Energy: 2.1395009321535623
Energy: 2.210414719723142
Energy: 2.1855650303983696
Energy: 2.1944946023041427
Energy: 2.0562853269017953
Energy: 2.3646459623004192
Energy: 2.220135560211885
Energy: 2.138037620091337
Energy: 2.098466919715558
Energy: 2.1559459377216084
Energy: 1.9736510987827078
Energy: 2.2100918192177312
Energy: 2.11638834218717
Energy: 1.9749650856521481
Energy: 1.9748335852279042
Energy: 2.102225920961899
Energy: 2.182533786384501
Energy: 2.1253229713952035
Energy: 2.1213051395268865
Energy: 2.1588575400566334
Energy: 1.9759047943658634
Energy: 2.0684591858390315
Energy: 2.5021098441406826
Energy: 2.09223282596514
Energy: 2.209367909722136
Energy: 2.1040891502806267
Energy: 2.098053307657697
Energy: 2.0026070326542196
Energy: 2.250456756890724
Energy: 2.1626096044793512
Energy: 2.1686149946720623
Energy: 2.000069570077722

minimum gb energy = 1.8266831240513888 eV
minimum distance =  2.45042642785808 Angstroms
sigma value = 33