Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014499072
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.022155128195471493
Energy: 0.8725884037165127
Energy: 1.8043303603816647
Energy: 1.3689175761411916
Energy: 1.3927182962656703
Energy: 0.5004065513335852
Energy: 0.02277413042940018
Energy: 1.3837479150045635
Energy: 1.390050376986414
Energy: 0.4013817567109557
Energy: 0.8713874022293358
Energy: 0.9743885630777599
Energy: 0.02329673934718996
Energy: 0.15439854237698278
Energy: 0.022600739457838623
Energy: 1.3904719207978347
Energy: 1.216200856487057
Energy: 1.2183759716597318
Energy: 0.8723342123034016
Energy: 0.15293575627930966
Energy: 0.15458625182324656
Energy: 0.02554135966086217
Energy: 0.8730819428733947
Energy: 1.2161133528749721
Energy: 1.368906773428936
Energy: 1.40148647523104
Energy: 0.15348750338819522
Energy: 0.023152995158832634
Energy: 1.6956956665777498
Energy: 1.3947850036537912
Energy: 0.4013243800983816
Energy: 0.8713421670077104
Energy: 0.9742293903937534
Energy: 0.022922858795593942
Energy: 0.1525233360254086
Energy: 0.022585405589733952
Energy: 1.277894719819437
Energy: 1.215209304613033
Energy: 1.2178174458503106
Energy: 1.1010484809526666
Energy: 0.15280524106636406
Energy: 0.1545609534580288

minimum gb energy = 0.022155128195471493 eV
minimum distance =  2.46822096356205 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.772975360699922
Energy: 1.7096793961596177
Energy: 1.8841355138191185
Energy: 2.0671930209451226
Energy: 1.980616677931187
Energy: 1.9230574448845859
Energy: 1.7745680151051035
Energy: 1.6114630463379105
Energy: 1.8941028902451045
Energy: 1.6620242984700915
Energy: 2.038202917547485
Energy: 1.9322588970962127
Energy: 1.7031599173490457
Energy: 1.9160810030863025
Energy: 1.9118111414327394
Energy: 1.8942718143759831
Energy: 1.9155218277041393
Energy: 1.9353662329484584
Energy: 1.8191421958487897
Energy: 1.914522208611875
Energy: 1.8050831169534145
Energy: 1.669984204738034
Energy: 1.9663652300748957
Energy: 1.7208767136473617
Energy: 1.8820920037250843
Energy: 1.9028895053865704
Energy: 1.6494739603730826
Energy: 1.8594946568501456
Energy: 1.8845228096212046
Energy: 1.774095730447735
Energy: 1.769491036612153
Energy: 1.6504277496426023
Energy: 1.8114729890773875
Energy: 1.919023377412837
Energy: 1.915035843841766
Energy: 1.7436927431425961
Energy: 1.7536833508052838
Energy: 1.709534461339587
Energy: 1.6408327490837937
Energy: 1.9479016128483648
Energy: 1.7167279036584586
Energy: 1.8775954333826201
Energy: 1.799653200736309
Energy: 1.9774430058757801
Energy: 1.8014795086765567
Energy: 1.870859329568139
Energy: 1.8237200200864467
Energy: 1.8345419418507563
Energy: 1.9167867455938412
Energy: 1.7058190242172264
Energy: 1.958758199299408
Energy: 1.8055136984400983
Energy: 1.7886790784613409
Energy: 1.8627172827903198
Energy: 1.7487346580168404
Energy: 1.6555744358648143
Energy: 1.8087438137235419
Energy: 1.8194467397413607
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Energy: 1.7478129189704965
Energy: 1.8892852856058415
Energy: 1.7430510873261138
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Energy: 1.711728265795495
Energy: 1.8365047257303961
Energy: 2.0213749523548423
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Energy: 1.8188581546215992
Energy: 1.7961389936900165
Energy: 1.6556681902617003
Energy: 1.7741240572812034
Energy: 1.8427284784168438
Energy: 2.049193879261255
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Energy: 1.7096818305529102
Energy: 1.9208339934505916
Energy: 1.8425860380950922
Energy: 1.7468198039857494
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Energy: 1.7475068979653585
Energy: 1.7211595775692454
Energy: 1.772009956511207
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Energy: 1.9959419713328825
Energy: 1.8847546373924968
Energy: 1.7506238658632993
Energy: 1.8492691753705581
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Energy: 1.8262016194567348
Energy: 1.8601101473464967
Energy: 1.7708721773439757
Energy: 1.730798895372601
Energy: 1.860405552088238
Energy: 1.9168105335715142
Energy: 1.7717555368266493
Energy: 1.9430614340012518
Energy: 1.7628000980807856
Energy: 1.9360335077807365
Energy: 1.84080634639974
Energy: 1.7679822736713804
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Energy: 1.906437757499347
Energy: 1.8031479648445996
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Energy: 1.7644751037267865
Energy: 1.826806457154256
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Energy: 1.8611882640941477
Energy: 1.6889209240764163
Energy: 1.7493982972938953
Energy: 1.7582784797180877
Energy: 1.8490437704450877
Energy: 1.76836449843541
Energy: 1.7882328673264878
Energy: 1.7856482022804818
Energy: 1.942092098017452
Energy: 1.7198508100685383
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Energy: 1.7440902375684062
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Energy: 1.7904369543871899
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Energy: 1.9091232516389771
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Energy: 1.767673582408502
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Energy: 1.8421163041102697
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Energy: 1.9837272363644944
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Energy: 1.9532888234692078
Energy: 1.870105209955121
Energy: 1.7461509844380911
Energy: 1.665220729327466
Energy: 1.9504520696281398
Energy: 1.7748869862629548
Energy: 1.7279339248199554
Energy: 1.9203427409225875
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Energy: 1.961974081497721
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Energy: 1.7122319523272895
Energy: 1.9082562339830926
Energy: 1.9127339078115713
Energy: 1.9189318135507778
Energy: 1.8147870164661821
Energy: 1.7215955325850443
Energy: 1.6337189988835574
Energy: 1.772458262249058
Energy: 1.7817384830278533
Energy: 1.9796425982396053
Energy: 1.9745001122009929
Energy: 1.7777432178403831
Energy: 1.8927970965630003
Energy: 1.7618745994702192
Energy: 1.8964704455893169
Energy: 1.8586029122084446
Energy: 1.885414653983737
Energy: 1.8462393168399176
Energy: 1.7923385058027927
Energy: 1.800751733738839
Energy: 1.6709096562124233
Energy: 1.9612366031800472
Energy: 1.7365723384978229
Energy: 1.8801703839677377
Energy: 1.7833570612178737
Energy: 1.7932244164928852
Energy: 1.8469704709272212
Energy: 1.8939714776302
Energy: 1.8440742072396716
Energy: 1.769711555722332
Energy: 1.65323926968341
Energy: 1.8380539587101876
Energy: 1.9200269449038543
Energy: 1.958982364536365
Energy: 1.7463312605000099
Energy: 1.7722890329494763
Energy: 1.7692857423829864
Energy: 1.6556688194322313
Energy: 1.9036959260549458
Energy: 1.8799556453289559
Energy: 2.0025749638338275
Energy: 1.7993857300824978
Energy: 1.9477819955419347
Energy: 1.6360390659750363
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Energy: 1.8229576736258033
Energy: 1.7688985063831681
Energy: 1.8732510050502693
Energy: 1.7322939865156297
Energy: 1.7696828060358551
Energy: 1.8457747765972636
Energy: 1.799368339586463
Energy: 1.8881992694472165
Energy: 1.8039434666553673
Energy: 1.8789561123699108
Energy: 1.7548424730691525
Energy: 1.7679011484315903
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Energy: 1.774899353652854
Energy: 1.7935197726485625
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Energy: 1.8901355256101868
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Energy: 1.7889024345860907
Energy: 1.8806519778514832
Energy: 1.6559446463912626
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Energy: 1.6238741483284003
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Energy: 1.8083823643983534
Energy: 1.7442485685223226
Energy: 1.8364222012562532
Energy: 1.7676533401249603
Energy: 1.851364973112445
Energy: 1.8606052040873848
Energy: 1.7740525051357365
Energy: 1.7239616689435988
Energy: 1.8512434073030217
Energy: 1.9108219523050316
Energy: 1.7584442648365375
Energy: 1.8600667205239119
Energy: 1.673917688137734
Energy: 1.9854088826643377
Energy: 1.8844992354461623
Energy: 1.6370355695468843
Energy: 2.0154888466515435
Energy: 1.8994049406882536
Energy: 1.8520124225270296
Energy: 1.8481120188837885
Energy: 1.761440739676103
Energy: 1.927315059767672
Energy: 1.8431338922949927
Energy: 1.8954293329436778
Energy: 1.6889717900836483
Energy: 1.8373603211264296
Energy: 1.757797531911378
Energy: 1.8503891349124644
Energy: 1.8229979784386436
Energy: 1.7892105607915703
Energy: 1.7711928519862927
Energy: 1.9648666776863937
Energy: 1.652416344133733
Energy: 1.7835530614741986
Energy: 1.721406559138959
Energy: 1.906817169781903
Energy: 1.922313962471944
Energy: 1.8338025533116828
Energy: 1.775676652295014
Energy: 1.6612422426745488
Energy: 1.6433860245959462
Energy: 1.8935462903553038
Energy: 1.9692145892455062
Energy: 1.6439818031538944
Energy: 1.8876061021276498
Energy: 1.8500202123807323
Energy: 1.7354783570267922
Energy: 1.8090453237471469
Energy: 1.7582404593836856
Energy: 1.7317554576624212
Energy: 1.8378979971629128
Energy: 1.9096106253979415
Energy: 1.686613272554911
Energy: 1.8736712530776638
Energy: 1.6743303961767761
Energy: 1.7272446557201144
Energy: 1.9059425810088637
Energy: 1.6774488614091667
Energy: 1.7315898389367177
Energy: 1.8413593936843837
Energy: 1.813393437264507
Energy: 1.8531064559255828
Energy: 1.8229748027639712
Energy: 1.8947386283835088
Energy: 1.9174669700890312
Energy: 1.7488666420332963
Energy: 1.6613924148513002
Energy: 1.7733679625438883
Energy: 1.774138697488958
Energy: 2.0298047955194938
Energy: 1.8446199629668665
Energy: 1.6560793228303137
Energy: 1.95758300180914
Energy: 1.7711031262930512
Energy: 1.7138372040841736
Energy: 1.866936348272788
Energy: 1.9119876116416392
Energy: 1.8828293340934406
Energy: 1.765295838754589
Energy: 1.7220814705065863

minimum gb energy = 1.6114630463379105 eV
minimum distance =  2.21867856654984 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.764159069979497
Energy: 1.758366155128566
Energy: 1.8480590132133892
Energy: 1.9621836179163457
Energy: 2.102953969964897
Energy: 1.7574994508867419
Energy: 1.7834120669404359
Energy: 1.670689979480567
Energy: 1.7306154673138658
Energy: 1.6964330157703476
Energy: 1.960450415553625
Energy: 1.7116610101267047
Energy: 1.7481329521135511
Energy: 1.76337208198775
Energy: 1.7916358162164214
Energy: 1.7219524945716052
Energy: 1.8912406207837809
Energy: 1.8972971782498955
Energy: 1.9024118566618322
Energy: 1.9095904980924578
Energy: 1.924501696291565
Energy: 1.7504397029544987
Energy: 1.7690795632736867
Energy: 1.8358491557521015
Energy: 1.7872212000936247
Energy: 1.716982431882925
Energy: 1.6359254005281065
Energy: 1.8884591703808953
Energy: 1.9023303817942114
Energy: 1.6289861181245913
Energy: 1.83279209224471
Energy: 1.7405988927524878
Energy: 1.7721246609257753
Energy: 1.9500773205359048
Energy: 1.7435694557256178
Energy: 1.8134563415757923
Energy: 1.8397643723636052
Energy: 1.6986632045929309
Energy: 1.7602590613910634
Energy: 1.713297343150381
Energy: 1.6550808933968726
Energy: 2.011652227645282
Energy: 1.914018048553205
Energy: 1.958174525845361
Energy: 1.9053290092978687
Energy: 1.8633202696583089
Energy: 1.7129480825665262
Energy: 1.7957208378748064
Energy: 1.7844056300056008
Energy: 1.6832427404762353
Energy: 1.7792097791545294
Energy: 1.7053479007155037
Energy: 1.7545603866848167
Energy: 1.8505715606994864
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Energy: 1.8735691818147466
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Energy: 1.6651604337647312
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Energy: 1.732159331797762
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Energy: 1.912164581549514
Energy: 1.906406153237875
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Energy: 1.727662262311012
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Energy: 1.858840012278706
Energy: 1.886940918366181
Energy: 1.7624418679221379
Energy: 1.731103025252703
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Energy: 1.6462095416225166
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Energy: 1.9100716561792683
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Energy: 1.6837419524384671
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Energy: 1.7296539856186852
Energy: 1.8865790900574981
Energy: 1.818758826268696
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Energy: 1.7599245613039487
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Energy: 1.903025154354347
Energy: 1.804680850810328
Energy: 1.6787330638117974
Energy: 1.6434666551543033
Energy: 1.6654608989345572
Energy: 1.8184847834535602
Energy: 2.006737409426084
Energy: 1.8902364590375629
Energy: 1.7124459276471793
Energy: 1.6643372119905362
Energy: 1.6726981650552772
Energy: 1.6660522308912973
Energy: 1.9127458937660626
Energy: 2.024155170029655
Energy: 1.9888302219585234
Energy: 1.773488157495374
Energy: 1.6670851643238984
Energy: 1.6668508537891733
Energy: 1.6648307019932551
Energy: 1.8466117698645574
Energy: 1.7056742550897561
Energy: 1.763604548976019
Energy: 1.9003060118726418
Energy: 1.664719425131722
Energy: 1.644329282195009
Energy: 1.6498276472146172
Energy: 1.7083794086962272
Energy: 1.7668766778464255
Energy: 1.95884741939117
Energy: 1.8054948392052845
Energy: 1.6658494068903213
Energy: 1.8807098425675095
Energy: 1.9560467371112946
Energy: 1.8427270504168427
Energy: 1.8005910981678483
Energy: 1.7901138050244054
Energy: 1.6206257523251142
Energy: 1.7967610510003644
Energy: 1.901635909182858
Energy: 1.8636356002162944
Energy: 1.7317216887375275
Energy: 1.6618867548669707
Energy: 1.7694359452281212
Energy: 1.7238161848804046
Energy: 1.8817386318458529
Energy: 1.87470520604769
Energy: 1.808066228782587
Energy: 1.8177873956301267
Energy: 1.7319191306158597
Energy: 1.732101119394498
Energy: 1.9054544951899457
Energy: 1.709845450191596
Energy: 1.8085278474980686
Energy: 1.7460217707731063
Energy: 1.8739835410071854
Energy: 1.8534293195513936
Energy: 1.6795820031111173
Energy: 1.8059339819155578
Energy: 1.8446051090515372
Energy: 1.9505033318356606
Energy: 1.865017039197778
Energy: 1.8162209234336333
Energy: 1.8515789247802703
Energy: 1.8996642011687235
Energy: 1.87957959282571
Energy: 1.837209702082413
Energy: 1.7399455138684519
Energy: 1.6743523210028761
Energy: 1.747116656924942
Energy: 1.8598463444389186
Energy: 1.7640294123563767
Energy: 1.7775771322145337
Energy: 1.7999812539102487
Energy: 1.7029107075694543
Energy: 1.7839780157996492
Energy: 1.8235495085330202
Energy: 2.092484259890458
Energy: 1.88124452753138
Energy: 1.736785590150504
Energy: 1.7359244136256662
Energy: 1.7208629119516368
Energy: 1.6756743290663418
Energy: 1.9067310849438819
Energy: 1.7330468772346888
Energy: 1.6902638906134355
Energy: 1.7315529624735848
Energy: 1.7537877048757458
Energy: 1.7253486779279679
Energy: 1.6770192397915296
Energy: 1.8464670782094557
Energy: 1.6651393546471764
Energy: 1.9508552387815332
Energy: 1.8660629440837895
Energy: 1.7214697253238518
Energy: 1.7015728330407094
Energy: 1.6516100683453558
Energy: 1.7050564788815812
Energy: 1.6808651630616946
Energy: 1.9415661142235365
Energy: 1.7439960259821086
Energy: 1.7321461966930691
Energy: 1.8748329875145133
Energy: 1.9687823661668964
Energy: 1.7896070404741096
Energy: 1.8218959952934553
Energy: 1.737095082493883
Energy: 1.8416324840262734
Energy: 1.8135543279430162
Energy: 1.7443394079663042
Energy: 1.631181217605567
Energy: 1.7062566000204904
Energy: 1.7642251149539743
Energy: 1.716786843645632
Energy: 1.6905141915708308
Energy: 1.9667586933870314
Energy: 1.870159066349897
Energy: 1.700346292198789
Energy: 1.8070653757397441
Energy: 1.7510212392980216
Energy: 1.7531478073777882
Energy: 1.9342927326051689
Energy: 1.7266724295732134
Energy: 1.74959053820802
Energy: 1.792341904960324
Energy: 1.6645072507284793
Energy: 1.8491335021704596
Energy: 1.6861737476945
Energy: 1.6419916450294942
Energy: 1.945847352044026
Energy: 1.9379024923579982
Energy: 1.759926809935829
Energy: 1.9231736971552729
Energy: 1.8452500478332219
Energy: 1.7002109620133792
Energy: 1.8774766434874084
Energy: 1.9589148108866297
Energy: 1.736512701749844
Energy: 1.6492949406611535
Energy: 1.7399421419721093
Energy: 1.663503870295789
Energy: 1.7170428929071582
Energy: 1.8016132393502016
Energy: 1.8092997535819104
Energy: 1.663694505309217
Energy: 1.8111868070220802
Energy: 1.936639747256297
Energy: 1.755480253905128
Energy: 1.8112546247026353
Energy: 1.640832503217414
Energy: 1.8158564215552453
Energy: 1.6634144070577905
Energy: 1.7485083886512958
Energy: 1.9007287725122448
Energy: 1.7716187763297069
Energy: 1.707868623462611
Energy: 1.8002159429885904
Energy: 1.7473407426844192

minimum gb energy = 1.6206257523251142 eV
minimum distance =  2.25355979063829 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.800732928555979
Energy: 1.739272438557177
Energy: 1.8173261902079734
Energy: 1.7071053127036704
Energy: 1.8021049415466255
Energy: 1.7630745389360782
Energy: 1.7549144436306605
Energy: 1.70406046659028
Energy: 1.7846132581161773
Energy: 1.7247538238713764
Energy: 1.7515559673813645
Energy: 1.7256323182770548
Energy: 1.708694711314133
Energy: 1.8321203326417266
Energy: 1.7909986296849612
Energy: 1.6786778997388565
Energy: 1.7408064870696764
Energy: 1.728739624266705
Energy: 1.7308406277490236
Energy: 1.7190879342219643
Energy: 1.7728945815484056
Energy: 1.6602322929444857
Energy: 1.89488446763386
Energy: 1.7211664644072724
Energy: 1.6714875611286704
Energy: 1.7705510806455516
Energy: 1.6699979292811067
Energy: 1.936988927092962
Energy: 1.8327853794838087
Energy: 1.8220132466823202
Energy: 1.778381078909991
Energy: 1.8931303945517413
Energy: 1.7839156009191997
Energy: 1.8565701512943606
Energy: 1.7468864230333052
Energy: 1.6696186349014726
Energy: 1.761957821543359
Energy: 1.7078591093349196
Energy: 1.7556928155640805
Energy: 1.7166675298881835
Energy: 1.739760338335606
Energy: 1.7751028284605241
Energy: 1.815899804236565
Energy: 1.7825291520926156
Energy: 1.8073311645762202
Energy: 1.6973598089898
Energy: 1.903707080554818
Energy: 1.8082271239257426
Energy: 1.82322114520654
Energy: 1.7243593038393707
Energy: 1.8318102379997572
Energy: 1.7081396912873439
Energy: 1.7273219324814837
Energy: 1.8393355075262856
Energy: 1.7380584619416333
Energy: 1.7330369409992803
Energy: 1.7570397529823278
Energy: 1.764623030102069
Energy: 1.747277683512165
Energy: 1.7157382265295835
Energy: 1.7530504526211679
Energy: 1.7450300850940512
Energy: 1.672396446443899
Energy: 1.65591320375795
Energy: 1.81287712601301
Energy: 1.669242853567214
Energy: 1.7453424461325426
Energy: 1.780977377369234
Energy: 1.659289296619085
Energy: 1.7820364200115222
Energy: 1.8387174274986335
Energy: 1.8648676953912804
Energy: 1.7864658901230854
Energy: 1.899830237267814
Energy: 1.8418473764743244
Energy: 1.884684982303018
Energy: 1.733830537870952
Energy: 1.6727207708784704
Energy: 1.8273444059200343
Energy: 1.699481036699918
Energy: 1.7116189750886888
Energy: 1.7154028501111345
Energy: 1.7908064622058142
Energy: 1.7709173081999576
Energy: 1.807277420937741
Energy: 1.691390005050315
Energy: 1.813154097995219
Energy: 1.721428215389066
Energy: 1.9211272003064537
Energy: 1.7955878657049367
Energy: 1.836375575812408
Energy: 1.71526097678535
Energy: 1.7502701780204621
Energy: 1.7392927762393504
Energy: 1.7887404203088084
Energy: 1.8973758323671945
Energy: 1.7660010420062933
Energy: 1.9247143692374697
Energy: 1.823181094502021
Energy: 1.7224935218515138
Energy: 1.771709011621053
Energy: 1.7955528479983938
Energy: 1.939421914108087
Energy: 1.7501664773042667
Energy: 1.7239210932754627
Energy: 1.669019972170513
Energy: 1.7065585864713364
Energy: 1.6584416516892428
Energy: 1.74821710163273
Energy: 1.7569023426343688
Energy: 1.7187094649912469
Energy: 1.8207416409223254
Energy: 1.8481737716597235
Energy: 1.8359794222296968
Energy: 1.9231779668220583
Energy: 1.8978186684934435
Energy: 1.760002274470044
Energy: 1.8361283246901128
Energy: 1.7391007160304066
Energy: 1.685262594216772
Energy: 1.8222624204886968
Energy: 1.788173033737172
Energy: 1.7094101553090828
Energy: 1.7079438909457456
Energy: 1.6628078974689238
Energy: 1.7638873906004346
Energy: 1.8119883375027772
Energy: 1.8179589616307517
Energy: 1.823265454903291
Energy: 1.8534014941232324
Energy: 1.9440556026878426
Energy: 1.7944579437148287
Energy: 1.7761366433592465
Energy: 1.7833793733546999
Energy: 1.824026596477519
Energy: 1.7877014937384956
Energy: 1.813783107238436
Energy: 1.8542995750517919
Energy: 1.7646923299071309
Energy: 1.8747741823091486
Energy: 1.714798169280278
Energy: 1.7125630674477668
Energy: 1.7323726387868592
Energy: 1.8889322707566307
Energy: 1.8258028606277488
Energy: 1.772458512673192
Energy: 1.7740459975171965
Energy: 1.662509298407839
Energy: 1.861974679027125
Energy: 1.7883613453669
Energy: 1.7031081510397952
Energy: 1.7260085178575344
Energy: 1.6503612732351365
Energy: 1.7460336488868158
Energy: 1.9099084137527125
Energy: 1.7803618587521346
Energy: 1.840613620140419
Energy: 1.893629743010387
Energy: 1.774391115219839
Energy: 1.848816504332406
Energy: 1.7640306263971184
Energy: 1.7421007215574404
Energy: 1.8354781295781877
Energy: 1.8107370130850962
Energy: 1.6938138146758777
Energy: 1.774317968629477
Energy: 1.6871490683609336
Energy: 1.7753524094799884
Energy: 1.8172807352754243
Energy: 1.6968194251555602
Energy: 1.8077947964621612
Energy: 1.8547578133583131
Energy: 1.9070814680491712
Energy: 1.8096030010798172
Energy: 1.7547866269190109
Energy: 1.8105467229669014
Energy: 1.8224777015676363
Energy: 1.7711084772057237
Energy: 1.835166234653327
Energy: 1.8766676595781926
Energy: 1.7848147012271534
Energy: 1.7666798267635377
Energy: 1.7640478336388385
Energy: 1.7075162065147012
Energy: 1.8208510961928193
Energy: 1.709500595506238
Energy: 1.8965594683603673
Energy: 1.734720780438696
Energy: 1.7877114242012087
Energy: 1.6542226551677686
Energy: 1.7915861049350252
Energy: 1.6910361073318876
Energy: 1.6671970156985076
Energy: 1.7222743171853814
Energy: 1.6818277914048658
Energy: 1.7699845594807502
Energy: 1.828905255779051
Energy: 1.867511731294416
Energy: 1.7597646986525801
Energy: 1.848152803495872
Energy: 1.8013140505504648
Energy: 1.88645762810123
Energy: 1.7233609612957677
Energy: 1.7393348987567723
Energy: 1.751644050794278
Energy: 1.743919038705937
Energy: 1.729225782197486
Energy: 1.7879958278611654
Energy: 1.7546284406334798
Energy: 1.7226378317464335
Energy: 1.8079590132604875
Energy: 1.7048041332451895
Energy: 1.774921180946432
Energy: 1.7327207084924605
Energy: 1.8341144930378492
Energy: 1.7069871490774073
Energy: 1.6935622818933516
Energy: 1.763039534420468
Energy: 1.7676411286167777
Energy: 1.796782769669863
Energy: 1.784966228880736
Energy: 1.9099498509929869
Energy: 1.8135132820420685
Energy: 1.7567354688718115
Energy: 1.7743147212841197
Energy: 1.7096047058271608
Energy: 1.7469762193474392
Energy: 1.6716429702177968
Energy: 1.8592870888854607
Energy: 1.7180195923931147
Energy: 1.7071007320270448
Energy: 1.665615785557615
Energy: 1.6951689042593971
Energy: 1.7561661209442805
Energy: 1.7049969521429484
Energy: 1.7298841851664897
Energy: 1.694722618088935
Energy: 1.695604141645962
Energy: 1.8493972895640953
Energy: 1.8867554189633304
Energy: 1.7842931131732556
Energy: 1.8731953151018694
Energy: 1.7505078466714048
Energy: 1.8318707352620394
Energy: 1.7986503154472626
Energy: 1.7103265522109787
Energy: 1.8452806865112361
Energy: 1.7947991288076044
Energy: 1.7099841060646606
Energy: 1.8153870073258436
Energy: 1.7463388642392608
Energy: 1.8530773887266532

minimum gb energy = 1.6503612732351365 eV
minimum distance =  2.22866360801166 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.6153820295253176
Energy: 1.8230393442526254
Energy: 2.0150274406874207
Energy: 1.9201657539302632
Energy: 1.8299886096372922
Energy: 1.7278387705361065
Energy: 1.5580390884096529
Energy: 1.6500655278642724
Energy: 1.7343377934331996
Energy: 1.7201736031808497
Energy: 1.6098164046433738
Energy: 1.6000376126907478
Energy: 1.6518472883777089
Energy: 1.6777015715542352
Energy: 1.6500231957146365
Energy: 1.637565259239457
Energy: 1.7320186755828397
Energy: 1.6065842744677048
Energy: 1.5987549386206379
Energy: 1.6666361483549414
Energy: 1.7684994293237797
Energy: 1.6268245199438052
Energy: 1.618613142412221
Energy: 1.7048625610884047
Energy: 1.7238707628108085
Energy: 1.6270487920827916
Energy: 1.7183893714413685
Energy: 1.7751481446159043
Energy: 1.668137912222665
Energy: 1.5988558312457386
Energy: 1.6903941411684786
Energy: 1.711826430905293
Energy: 1.6275722625466706
Energy: 1.9514969540374236
Energy: 1.667463367746623
Energy: 1.5598945013032433
Energy: 1.5979309241778672
Energy: 1.7108093134046838
Energy: 1.8788134687517926
Energy: 1.7624320652543441
Energy: 1.6773917678175954
Energy: 1.667326580469851
Energy: 1.9589605088831463
Energy: 1.7780934347198594
Energy: 1.6770081450214276
Energy: 1.8599391687976128
Energy: 1.559900841058453
Energy: 1.5609401489233625
Energy: 1.6532975618453412
Energy: 1.557505965592695
Energy: 1.7375071717667485
Energy: 1.9844058767601809
Energy: 1.7472308581034048
Energy: 1.7857488004112134
Energy: 1.7374998932664998
Energy: 1.6668107042636877
Energy: 1.560124803121798
Energy: 1.738035860193969
Energy: 1.9253744145913045
Energy: 1.6197472342322425
Energy: 1.598183799506336
Energy: 1.9184817846164637
Energy: 1.6672465894803266
Energy: 1.9596439491870778
Energy: 1.718301014002805
Energy: 1.717974200451791
Energy: 1.608681552201619
Energy: 1.6013505311824434
Energy: 1.6515534646565995
Energy: 1.6667702819429793
Energy: 1.6244186960136344
Energy: 1.6174203650978658
Energy: 1.6999304980288301
Energy: 1.6190387005816977
Energy: 1.5988892482551282
Energy: 1.6880053419670418
Energy: 1.7788780805263251
Energy: 1.666414316119931
Energy: 1.598098633661086
Energy: 1.6833812261010317
Energy: 1.6489253647784308
Energy: 1.6280150132645188
Energy: 1.6945349600481512
Energy: 1.6798217306763616
Energy: 1.5583819222733186
Energy: 1.6001177968644937
Energy: 1.7326535413064084
Energy: 1.7687035896065586
Energy: 1.743616696715882
Energy: 1.7369388454857226
Energy: 1.6664736077837894
Energy: 1.7407376605105849
Energy: 1.618272621680339
Energy: 1.7120351975409995
Energy: 1.8625723201459248
Energy: 1.5606269637029144
Energy: 1.558969131628662
Energy: 1.6916832226411047
Energy: 1.557708737645911
Energy: 1.7303919426350656
Energy: 1.6767205401934937
Energy: 1.8625781964750612
Energy: 1.5613758670601703
Energy: 1.5587299710644438
Energy: 1.6780553069109296
Energy: 1.5572612946559157
Energy: 1.8480464659621583
Energy: 1.9455656354523783
Energy: 1.6933398219223268
Energy: 1.8288442988122708
Energy: 1.7334433088646612
Energy: 1.557951364740847
Energy: 1.649307084881316
Energy: 1.7337216623190521
Energy: 1.7187836583568055
Energy: 1.6305580871020615
Energy: 1.599903546140582
Energy: 1.6515778336388114
Energy: 1.6794971374890324
Energy: 1.6501328438465437
Energy: 1.6371608914658327
Energy: 1.6881572211027644
Energy: 1.6069158336337908
Energy: 1.5984538871889642
Energy: 1.6665474379404195
Energy: 1.7678286487365378
Energy: 1.6261417728080922
Energy: 1.639445999189156
Energy: 1.7051460182024993
Energy: 1.7232063271319924
Energy: 1.6269936123768958
Energy: 1.7185068137200292
Energy: 1.7755440903784163
Energy: 1.6684442745899508
Energy: 1.598720783728056
Energy: 1.6906268699346898
Energy: 1.7127578552142764
Energy: 1.6271429936412445
Energy: 1.9510710996183507
Energy: 1.667272919752099
Energy: 1.559008583269293
Energy: 1.597664933220888
Energy: 1.710866620443789
Energy: 1.878884547320042
Energy: 1.761875133673587
Energy: 1.5588981056829325
Energy: 1.6666841175897205
Energy: 1.9580180687628999
Energy: 1.750931772114377
Energy: 1.6772857197001692
Energy: 1.8447492269639387
Energy: 1.559615567620616
Energy: 1.5614138204809642
Energy: 1.691976132684748
Energy: 1.5619549393527692
Energy: 1.7351903523859
Energy: 1.9858664900380925
Energy: 1.7470850592555645
Energy: 1.7871156212351638
Energy: 1.7374617959171126
Energy: 1.6681880169817012
Energy: 1.5594873083021774
Energy: 1.739425264081132
Energy: 1.925480162381675
Energy: 1.6193034352603173
Energy: 1.5980110188219374
Energy: 1.7174826221436954
Energy: 1.6673046933889775
Energy: 1.957530834467488
Energy: 1.7197342544268552
Energy: 1.7178224701761629
Energy: 1.609828006956816
Energy: 1.5987054307838133
Energy: 1.6508574061905903
Energy: 1.6665346289660803
Energy: 1.6241536090656807
Energy: 1.617634035452198
Energy: 1.7000151125610463
Energy: 1.6197309889196434
Energy: 1.5993571657203447
Energy: 1.716225411692631
Energy: 1.777863905165204
Energy: 1.6678063458708428
Energy: 1.5985537175458178
Energy: 1.6822905534520942
Energy: 1.6488289766961066
Energy: 1.6285206115136888
Energy: 1.6951879307030775
Energy: 1.6795004158701132
Energy: 1.5587018266829091
Energy: 1.5998142837296572
Energy: 1.732978585785257
Energy: 1.7684959245497665
Energy: 1.743222197997617
Energy: 1.7370082963548026
Energy: 1.668172935038474
Energy: 1.7409629914360578
Energy: 1.6182922326727598
Energy: 1.7122303116300246
Energy: 1.8627519914958885
Energy: 1.5604440202734644
Energy: 1.5589312201735892
Energy: 1.6906752026501397
Energy: 1.559153477275236
Energy: 1.7323991484979222
Energy: 1.6766957662616762
Energy: 1.8796121498687735
Energy: 1.5615550418827389
Energy: 1.5585576921219446
Energy: 1.6778725510155628

minimum gb energy = 1.5572612946559157 eV
minimum distance =  2.23152641517529 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.009035094311677
Energy: 1.7678761993136125
Energy: 1.6477110166072846
Energy: 1.85406236055707
Energy: 1.7879190183115703
Energy: 1.6856266605409205
Energy: 1.6573979597335753
Energy: 1.6634821625854501
Energy: 1.8297348048518103
Energy: 1.8711710789716205
Energy: 1.863344973920034
Energy: 1.9394455311573442
Energy: 1.8330444730755697
Energy: 1.8322234994352902
Energy: 1.8901760142389072
Energy: 1.7274789119442235
Energy: 1.645604528218088
Energy: 1.9306653201950603
Energy: 1.5721596315751958
Energy: 1.5719803757016029
Energy: 1.8506328304960153
Energy: 1.790809363102349
Energy: 1.8423966439961672
Energy: 1.7221168146170631
Energy: 1.8034721134471545
Energy: 1.693217920091149
Energy: 1.633612730795399
Energy: 1.849598984426338
Energy: 1.5724797412036515
Energy: 1.7204312279152205
Energy: 1.6640343735904009
Energy: 1.5818617445391092
Energy: 1.6360576129186937
Energy: 1.6286426130061087
Energy: 1.5903259573122204
Energy: 1.5562963181587757
Energy: 1.631445667731342
Energy: 1.6238787997086812
Energy: 1.7133781330995963
Energy: 1.597920635290463
Energy: 1.5835993954310528
Energy: 1.6436163453160528
Energy: 1.9807173948318995
Energy: 1.6745788544298272
Energy: 1.635445019110931
Energy: 1.735326692986794
Energy: 1.5891457806821536
Energy: 1.557436464703768
Energy: 1.6564728279503902
Energy: 1.6343316931500054
Energy: 1.6069110920378407
Energy: 1.646042678023482
Energy: 1.7760919050379367
Energy: 1.5719294665901198
Energy: 1.5733356710097979
Energy: 1.704021283643196
Energy: 1.626857156116952
Energy: 1.7670622715243567
Energy: 1.8535408313121557
Energy: 1.6600280315912515
Energy: 1.986641108268784
Energy: 2.0870473798373945
Energy: 2.0326317144983888
Energy: 1.5716735316435897
Energy: 1.8695333461747177
Energy: 1.649319986262221
Energy: 1.8549244013601451
Energy: 1.666039207020727
Energy: 1.8904562324189802
Energy: 1.7908723748452111
Energy: 1.7872037260993519
Energy: 1.7777682467964215
Energy: 1.644405418893752
Energy: 1.6630290345862166
Energy: 1.557309171298496
Energy: 1.5566537144164714
Energy: 1.8326445133659328
Energy: 1.8631570600471754
Energy: 1.7220479513509468
Energy: 1.8542404896984943
Energy: 2.204756581354727
Energy: 1.5572073998256708
Energy: 1.5568609269090843
Energy: 1.9224364683576167
Energy: 1.557007781473567
Energy: 1.7243488095669084
Energy: 2.032104786016022
Energy: 1.820332701022127
Energy: 1.7314537433256223
Energy: 1.6325875969411456
Energy: 1.6563356087984258
Energy: 1.5568829359706249
Energy: 1.7447899141785104
Energy: 1.6449697995203785
Energy: 1.683300583575749
Energy: 1.7987204454949806
Energy: 1.7037809930205845
Energy: 1.8324903623431752
Energy: 1.889440504172613
Energy: 1.6374030286379104
Energy: 1.6475687736411369
Energy: 1.9601928438338163
Energy: 1.8333305220469367
Energy: 1.7999744285890176
Energy: 1.7905961935104486
Energy: 1.8013548573306037
Energy: 1.7266735201272245
Energy: 1.693949012292825
Energy: 1.6700051055612573
Energy: 1.6934237645248673
Energy: 1.8407344832326016
Energy: 2.0623945093960225
Energy: 1.5720632768445972
Energy: 1.7210156077172505
Energy: 1.6253485308078113
Energy: 1.6319735127951935
Energy: 1.668479777821298
Energy: 1.6283984195450305
Energy: 1.5921132145835442
Energy: 1.5568135509259977
Energy: 1.6318789168407537
Energy: 1.6542844615928116
Energy: 1.920281627797712
Energy: 1.9803106153569912
Energy: 2.13184660708635
Energy: 1.8957694871605613
Energy: 1.555401413640971
Energy: 1.5910982369322542
Energy: 1.6237737737592917
Energy: 1.666655513819549
Energy: 1.5880883585299685
Energy: 1.5580745582117856
Energy: 1.6565657452480247
Energy: 1.6277005866696703
Energy: 1.6065920441493176
Energy: 1.7019759626953572
Energy: 1.6596736001183396
Energy: 1.7201931905232335
Energy: 1.5722036773738537
Energy: 1.591239206641306
Energy: 1.6349058417951474
Energy: 1.6330844120043646
Energy: 1.8297498225039983
Energy: 1.9501426910901758
Energy: 1.9387261006066308
Energy: 2.0505445487972507
Energy: 2.0291029492181725
Energy: 1.571590503888835
Energy: 1.8045482593255495
Energy: 1.647445172832078
Energy: 1.6880692949081784
Energy: 1.6122511751999133
Energy: 1.7839250528422694
Energy: 1.569777072384162
Energy: 1.8328724378834347
Energy: 1.6651054144928514
Energy: 1.9547197158037761
Energy: 1.885125481747197
Energy: 1.6920551869864149
Energy: 1.7159153032886016
Energy: 1.8339012684689187
Energy: 1.6537583985288424
Energy: 1.6379369677078968
Energy: 1.7693456897880355
Energy: 2.1487283237272927
Energy: 1.5568186518323004
Energy: 1.5558095018816487
Energy: 1.7179439144254793
Energy: 1.556702923016904
Energy: 1.7560945854825574
Energy: 1.9019501923074256
Energy: 1.6814736536932016
Energy: 1.6922817857406955
Energy: 1.9818944154631017
Energy: 1.8331219937921917

minimum gb energy = 1.555401413640971 eV
minimum distance =  2.22475667677249 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.9279861540623708
Energy: 2.1356982790099193
Energy: 2.0484476371610874
Energy: 2.0842352052901467
Energy: 2.0005255782456532
Energy: 2.005968617557632
Energy: 2.154669979433573
Energy: 2.063855944281361
Energy: 2.0859882995308316
Energy: 1.9827746206435424
Energy: 2.139331952672082
Energy: 2.0717898987403913
Energy: 2.031716002971794
Energy: 2.0541066665166032
Energy: 2.0828835244970825
Energy: 2.005795494929347
Energy: 1.9324466206039206
Energy: 2.0068066830355584
Energy: 2.060065878423915
Energy: 1.9706464504300552
Energy: 2.084424606767942
Energy: 1.88804398598948
Energy: 2.1779737347009958
Energy: 1.9671098735829178
Energy: 2.0581263679676467
Energy: 2.0246160391969634
Energy: 1.9287828990473783
Energy: 2.0625762358223456
Energy: 1.8895625069592683
Energy: 2.0229052351122285
Energy: 1.8619012144476892
Energy: 1.9292869563268447
Energy: 1.9356966602804053
Energy: 1.9145404427194088
Energy: 1.9857436937301407
Energy: 1.783357188233677
Energy: 1.925528335414971
Energy: 1.9752110921217267
Energy: 1.8466703378162401
Energy: 1.825885284098924
Energy: 1.8025766771692018
Energy: 1.9466477340569568
Energy: 1.958425164572159
Energy: 2.0375794463995875
Energy: 1.8751035464145198
Energy: 1.9359963923936643
Energy: 1.9739032290882983
Energy: 1.8806963564139318
Energy: 2.080589243488328
Energy: 2.043608347905746
Energy: 1.7637329382008837
Energy: 1.914699030642028
Energy: 1.9893224124322841
Energy: 2.0032869121748327
Energy: 1.9723784912657674
Energy: 1.7759711975169326
Energy: 1.6660303154363516
Energy: 1.9524221417769647
Energy: 1.986767196558481
Energy: 1.7944679105446226
Energy: 1.9056267935035416
Energy: 1.9590416328037683
Energy: 2.00101842388219
Energy: 1.9210149185514889
Energy: 1.9038721411694801
Energy: 1.9236136330893565
Energy: 1.7264644459939724
Energy: 2.0072927867288737
Energy: 1.9487454882872726
Energy: 1.9240074379482346
Energy: 1.9087371685877919
Energy: 1.8530021420702705
Energy: 1.8928514708805257
Energy: 1.8483816202927363
Energy: 1.8675327613981718
Energy: 1.9100176699418525
Energy: 1.8209279709313932
Energy: 1.7306841175423877
Energy: 1.9559071458755644
Energy: 1.995261547223094
Energy: 1.9816695312208552
Energy: 1.9025392751477495
Energy: 1.99662131436534
Energy: 1.9567818989232093
Energy: 1.9424918379591267
Energy: 1.749151795373224
Energy: 1.8665718287103117
Energy: 1.9931971336018484
Energy: 1.9838764266578561
Energy: 1.84215116376041
Energy: 1.7713702985882163
Energy: 1.9560072984279941
Energy: 1.9621575985001414
Energy: 2.0187393712248882
Energy: 1.8315599398119358
Energy: 1.794041238197162
Energy: 1.8884853391217
Energy: 2.0236166950999293
Energy: 1.7230707002508643
Energy: 1.972302743968601
Energy: 1.9438408874885362
Energy: 1.8251299940866945
Energy: 1.7215709601860245
Energy: 1.8665608402907818
Energy: 1.9184889908478322
Energy: 1.8744206727555162
Energy: 1.8826686494747942
Energy: 1.8863635659919835
Energy: 1.9472426829826446
Energy: 1.9403636570290634
Energy: 1.8842010947198258
Energy: 1.9120714793043003
Energy: 1.9007212110875675
Energy: 2.151684258555718
Energy: 1.9211455649859484
Energy: 2.0234331078595575
Energy: 1.992353426220794
Energy: 1.9744103710077716
Energy: 2.0029251240706256
Energy: 1.8709756882682322
Energy: 1.9867889457233157
Energy: 1.8923620669048882
Energy: 1.9300815115412264
Energy: 1.9362541000482463
Energy: 1.989154864703774
Energy: 1.9740940884073575
Energy: 2.034303507332323
Energy: 2.1096027589194986
Energy: 1.9845776772896073
Energy: 2.088261745356823
Energy: 2.1763057202866585
Energy: 2.0023045698240005
Energy: 2.152471165449293
Energy: 1.8620532226410673
Energy: 2.022131062535024
Energy: 1.9380537278047507
Energy: 2.0553217969081943
Energy: 2.025272493406365
Energy: 1.9196077297510785
Energy: 2.0242763571402174
Energy: 2.0595820647057965
Energy: 1.939067156435373
Energy: 1.9240345939874823
Energy: 2.1320560644912727
Energy: 2.0509235722972505
Energy: 1.9042717660505644
Energy: 1.927571829935306
Energy: 2.0620219736524548
Energy: 1.9431378558204118
Energy: 1.9380765216023066
Energy: 1.9940323770983672
Energy: 2.055069953752134
Energy: 1.9035511146454314
Energy: 2.00274326936479
Energy: 1.8603426806305987
Energy: 2.054177744626475
Energy: 2.0403070398667023
Energy: 2.0435122286084813
Energy: 2.028607900661152
Energy: 1.9310319387705703
Energy: 2.0265771691907504
Energy: 2.058267358427102
Energy: 2.1591870541373672
Energy: 1.9884947186762527
Energy: 2.1528669262892013
Energy: 2.0801037064171743
Energy: 2.060294204838799
Energy: 2.0528038961245105
Energy: 1.911563966822823
Energy: 1.977441300631575
Energy: 1.9315222965146432
Energy: 2.013290276075325
Energy: 1.9890745438720137
Energy: 1.9545405344884292
Energy: 1.9845573792189142
Energy: 1.8638133966285084
Energy: 2.1002852123446587
Energy: 1.9277540739619077
Energy: 2.0094741394247984
Energy: 2.0282089476624114
Energy: 1.9318048220250503
Energy: 2.0444108159901826
Energy: 1.876225591036656
Energy: 2.054413173443346
Energy: 1.9801830088655217
Energy: 1.9402465257506467
Energy: 1.949477020187769
Energy: 1.9490823912856212
Energy: 1.9989695882619343
Energy: 1.7825088972515835
Energy: 1.9685670618428448
Energy: 1.9124775627397015
Energy: 1.8944808972967575
Energy: 1.758620991438806
Energy: 1.8218525280506286
Energy: 1.9473862046866253
Energy: 1.9565910978988477
Energy: 1.979558167542595
Energy: 1.869399785654518
Energy: 1.9546417753630467
Energy: 1.9224471906115104
Energy: 1.898495445107059
Energy: 2.076024112423223
Energy: 1.9154762059435322
Energy: 1.757385446400886
Energy: 1.831172696781761
Energy: 2.00482387423008
Energy: 2.0185038923663887
Energy: 1.7743134114467891
Energy: 1.7785538017775757
Energy: 1.6478912951102098
Energy: 1.9165389055318631
Energy: 2.003553195052341
Energy: 1.9821560366078128
Energy: 1.9049885832693279
Energy: 1.9606388041507068
Energy: 1.9887132002087862
Energy: 1.8720813183347806
Energy: 1.8855734547186627
Energy: 1.9156188301037047
Energy: 1.9027441946300074
Energy: 1.909659055356205
Energy: 1.8978664629122308
Energy: 1.9281800342391897
Energy: 1.90723408533445
Energy: 1.8632805977862856
Energy: 1.7957143835023552
Energy: 1.9694974396255591
Energy: 1.945544047584802
Energy: 1.8798967710335304
Energy: 1.8772432610581218
Energy: 1.740473086350543
Energy: 1.9550096299521764
Energy: 1.9802251941434108
Energy: 1.9857763360670215
Energy: 1.9745485311616815
Energy: 1.9973580265295299
Energy: 2.0399601278878845
Energy: 1.935672523967968
Energy: 1.7497948002043298
Energy: 1.9003878373322431
Energy: 1.9552529273382773
Energy: 1.9830132893070236
Energy: 1.9669655931844872
Energy: 1.761273896474597
Energy: 1.9584319114928612
Energy: 1.953513972170932
Energy: 1.9938815341419391
Energy: 1.9928449950627656
Energy: 1.8056889797303415
Energy: 1.8022142119317706
Energy: 2.020061342902837
Energy: 1.7079514654358494
Energy: 1.9113806164311142
Energy: 1.9497580203199028
Energy: 1.797264957213945
Energy: 1.7234496407795943
Energy: 1.871626312875464
Energy: 1.9076976552681275
Energy: 1.8079070547877918
Energy: 1.91859003844845
Energy: 1.8176778178432536
Energy: 1.9450351230451841
Energy: 1.8821926980483736
Energy: 1.848629144687605
Energy: 1.905479078319466
Energy: 1.8726893446347561
Energy: 2.1496528683661382
Energy: 1.916024235372597
Energy: 2.0208835361412594
Energy: 1.9780895836957657
Energy: 1.8852073331201464
Energy: 1.9905729045229326
Energy: 1.871315488021675
Energy: 1.9086869883788107
Energy: 1.8854195365507174
Energy: 1.9312475596465646
Energy: 2.039949837119357
Energy: 1.9636384354451282
Energy: 1.9326207619134688
Energy: 2.0225492488761914
Energy: 2.106579101749134
Energy: 1.9077273854076504
Energy: 2.156681863019077
Energy: 2.0427989206516934
Energy: 2.052862124807905
Energy: 1.9857493982265808
Energy: 1.8922826933443773
Energy: 2.012050301241873
Energy: 1.977379445681704
Energy: 2.086251995462525
Energy: 2.023527660803865
Energy: 2.0270563610888375
Energy: 2.098055382352773
Energy: 2.0853038926187377
Energy: 1.955515902798138
Energy: 1.9260154916869536
Energy: 2.1519659321774927
Energy: 2.02741976694499
Energy: 1.892581816121554
Energy: 2.0968343974380126
Energy: 2.0806039035021175
Energy: 1.9677922523034204
Energy: 1.934602026173808
Energy: 2.131801504069887
Energy: 2.0317672226299988
Energy: 1.913016570164768
Energy: 2.0424199656395983
Energy: 1.9144416918141438
Energy: 1.9817031164594245
Energy: 2.0529632066701136
Energy: 2.0913667902012656
Energy: 2.0015586055570362
Energy: 1.9051670047530194
Energy: 2.069817018350463

minimum gb energy = 1.6478912951102098 eV
minimum distance =  2.15952606379479 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.7716690424177775
Energy: 1.999793757597835
Energy: 1.7506731330001823
Energy: 1.7311556684730738
Energy: 1.7280303906752288
Energy: 1.7499975511864525
Energy: 1.7307401160656346
Energy: 1.709841784553125
Energy: 1.9943054699746041
Energy: 1.7072339643463108
Energy: 1.7109854983424455
Energy: 1.7104043991616589
Energy: 1.7098477000249808
Energy: 1.9945030287483267
Energy: 1.7607601713427399
Energy: 1.9995513313485835
Energy: 1.7115747384002329
Energy: 1.7093173954509668
Energy: 1.708325592079105
Energy: 1.7101298442543766
Energy: 1.727877607615654
Energy: 1.7619567331900312
Energy: 1.9997989273010734
Energy: 1.7116029474031644
Energy: 1.7103386805789604
Energy: 1.7095302317153809
Energy: 1.7116190403537677
Energy: 1.7317354823413336
Energy: 1.660321729104601
Energy: 1.9930519212616877
Energy: 1.629762605313629
Energy: 1.966179681228344
Energy: 1.7083152125036727
Energy: 1.6292333661328406
Energy: 1.9968705429887152
Energy: 1.7087898916248259
Energy: 1.9990023740612608
Energy: 1.7087920187765873
Energy: 1.7300937349482945
Energy: 1.7087602823077335
Energy: 1.7107772145915119
Energy: 1.729688378053762
Energy: 1.761781285046647
Energy: 1.9938128520004195
Energy: 1.711671512753799
Energy: 1.709910299345295
Energy: 1.70929767462869
Energy: 1.7103362455137399
Energy: 2.146979544431879
Energy: 1.7605262164931403
Energy: 1.9652391640760856
Energy: 1.711498485069816
Energy: 1.7093538640297854
Energy: 1.7082639577667955
Energy: 1.709945614355482
Energy: 1.9958558965994362
Energy: 1.7618149391069684
Energy: 2.0001496184555734
Energy: 1.7078399002256597
Energy: 1.7103014205457407
Energy: 1.7096072037194128
Energy: 1.7126232299914523
Energy: 1.731377741445918
Energy: 1.6295751219934422
Energy: 1.9937859437288705
Energy: 1.628874479427732
Energy: 1.966426161594583
Energy: 2.1474013396277263
Energy: 1.6289518657040112
Energy: 1.9960567100514157
Energy: 1.7611614928777395
Energy: 2.000414603464053
Energy: 1.707940450064434
Energy: 1.7099933976795378
Energy: 1.7106291542665493
Energy: 1.710292442208713
Energy: 1.7308934749856104
Energy: 1.7600840824470163
Energy: 1.99686995685382
Energy: 1.7109009550079084
Energy: 1.7090283450696533
Energy: 1.7084740066611008
Energy: 1.7101742842428262
Energy: 1.9941903739092068
Energy: 1.7618939189083709
Energy: 1.993696065958574
Energy: 1.707732610460508
Energy: 1.7105853547294734
Energy: 1.7096556270737997
Energy: 1.7109172544314613
Energy: 1.9954417411645473
Energy: 1.7099914955915092
Energy: 1.9997791633046909
Energy: 1.7078580592027142
Energy: 1.731149346139227
Energy: 1.730098487580519
Energy: 1.7085328641990571
Energy: 1.7319406195581688
Energy: 1.6590092894882038
Energy: 2.147392468864627
Energy: 1.6293587379098382
Energy: 1.7119528938960278
Energy: 1.7094686161361865
Energy: 1.707300817805657
Energy: 1.995037966500496
Energy: 1.7604280698135328
Energy: 2.0381481453052155
Energy: 1.7121747128828744
Energy: 1.710091573104802
Energy: 1.7093671002326642
Energy: 1.7101624195894094
Energy: 1.7277376930510713
Energy: 1.760621652244808
Energy: 1.9968930196626087
Energy: 1.7118550290504904
Energy: 1.7093618215926922
Energy: 1.7086934946049561
Energy: 1.7106142290823034
Energy: 1.7281561427665608
Energy: 1.6588782572882197
Energy: 1.9938547867908147
Energy: 1.7072828858208342
Energy: 1.7111930617600375
Energy: 1.711692723019627
Energy: 1.7069622998842364
Energy: 1.9951299395728306
Energy: 1.728283960241061
Energy: 2.0006457226600105
Energy: 1.7096597057330485
Energy: 1.7309793356049261
Energy: 1.7289532163389987
Energy: 1.7094062019374607
Energy: 1.730114236935314
Energy: 1.7127905511608557
Energy: 1.9937110649157088
Energy: 1.7073123239049561
Energy: 1.7105928081362518
Energy: 1.709951463731193
Energy: 1.71001682021493
Energy: 1.995425683281157

minimum gb energy = 1.628874479427732 eV
minimum distance =  2.21782569941533 Angstroms
sigma value = 23