Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
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=[2.0556727302536998e-19, 2.9073097200564e-19, 3.5552299508459994e-19, 4.0808880826950593e-19, 4.521342461148e-19, 4.897517513044859e-19, 5.22267926091516e-19, 5.505928068040019e-19, 5.753864902151519e-19, 5.971424467282379e-19, 6.162484030886879e-19, 6.33008772856962e-19, 6.47676699941232e-19, 6.6045726295065e-19, 6.71523496961688e-19, 6.81026006577942e-19, 6.89086557223596e-19, 6.95820505616298e-19, 7.01319175824186e-19, 7.05669085385496e-19, 7.08945536602026e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110235596963239e-19, 7.08336709481106e-19, 7.0424154600460195e-19, 6.98489731888542e-19, 6.907848644556359e-19, 6.807744648464039e-19, 6.680323540762019e-19, 6.52044233445516e-19, 6.321820497138179e-19, 6.0767355374352e-19, 5.775734613205619e-19, 5.406993660890519e-19, 4.955708568391739e-19, 4.4031338690914795e-19, 3.72526895701242e-19, 2.89109569252032e-19, 1.8600149197096198e-19, 5.78018866424814e-20, -1.0278155368306078e-19, -3.0603976974350996e-19, -5.6771526849156e-19, -9.1344896434242e-19, -1.3876019239382817e-18, -2.07231934548096e-18, -3.13174262294712e-18, -4.92385729690782e-18, -8.311179136510619e-18, -1.5624314382403618e-17, -3.39751168299504e-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: 0.020482218039907095
Energy: 0.02617352997827389
Energy: 1.448895051093678
Energy: 1.4556094960610828
Energy: 0.02578629464915798
Energy: 0.02229415308109925
Energy: 0.4585846711795001
Energy: 1.4444458632753792
Energy: 1.479153411102551
Energy: 0.02461219900413578
Energy: 0.021252846478536553
Energy: 1.8655072404310369
Energy: 0.7947290973510921
Energy: 1.3256201567536747
Energy: 1.404696772418536
Energy: 1.9750671327532872
Energy: 1.8719461344865471
Energy: 0.7962531021595279
Energy: 1.3344793675949627
Energy: 1.3287617881397895
Energy: 0.7962406147582786
Energy: 0.025119147401769546
Energy: 0.021079764402270145
Energy: 1.297467869173728
Energy: 1.4381088032229148
Energy: 0.7945369456276332
Energy: 0.023905724416483295
Energy: 0.021060198063571737
Energy: 1.1827094902999244
Energy: 1.4402755695700646
Energy: 1.3229439103545853
Energy: 2.2347784020384744
Energy: 0.021847045375883084
Energy: 0.7973253782161752
Energy: 1.4746861881549893
Energy: 1.4090270806808491
Energy: 0.022028740044958823
Energy: 0.5956186884583918
Energy: 2.050819072919585
Energy: 1.2490048612081026
Energy: 1.178221117054027
Energy: 1.4662868733180467
Energy: 1.920272183547591
Energy: 0.022503282872670182
Energy: 2.2285174733298314
Energy: 1.3670800364539348
Energy: 0.8001325665368528
Energy: 1.9649719849257035
Energy: 0.023752642370343177
Energy: 1.3481874730569856
Energy: 0.7971178871490824
Energy: 1.2238997262764961
Energy: 1.8421155368327145
Energy: 0.02172892844766602
Energy: 0.020748632694261946
Energy: 1.9506974571942917
Energy: 1.4433865189529316
Energy: 1.3786954794886765
Energy: 0.0225665261225586
Energy: 0.02098806243379591
Energy: 0.02086794803711807
Energy: 1.30896242779916
Energy: 1.3638117029695986
Energy: 0.7958751394657728
Energy: 1.9074606839034696
Energy: 0.020930839277199728
Energy: 1.321486398390904
Energy: 1.260322628584227
Energy: 1.8953824552539948
Energy: 0.794458126215233

minimum gb energy = 0.020482218039907095 eV
minimum distance =  2.37154566822701 Angstroms
sigma value = 3


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

Energy: 2.1728783000988154
Energy: 2.8095203287440156
Energy: 2.1549923661706947
Energy: 2.037023185838903
Energy: 2.7305807742394657
Energy: 2.3223750467107354
Energy: 2.7120626967067776
Energy: 2.022880316489841
Energy: 2.1133162784169355
Energy: 2.9682769122520813
Energy: 2.702883748172504
Energy: 2.7886954792653067
Energy: 2.1909611084571674
Energy: 2.127161517995847
Energy: 2.3222114890866887
Energy: 2.730011603633777
Energy: 2.746191943293769
Energy: 2.1279006424673166
Energy: 2.162229544686138
Energy: 2.3146516483241286
Energy: 2.4839150141478714
Energy: 2.891973064763749
Energy: 2.5563306772988605
Energy: 2.234509398176971
Energy: 1.7746299379473696
Energy: 2.188370398390038
Energy: 2.917466108675221
Energy: 2.721938966994379
Energy: 2.0837164504477106
Energy: 1.8228245928025062
Energy: 2.064392873851872
Energy: 2.4536336558081477
Energy: 2.839804725009058
Energy: 2.580075738454119
Energy: 2.010828124632829
Energy: 2.156167401003166
Energy: 2.463933853315167
Energy: 2.805645646520287
Energy: 2.6062673938261263
Energy: 2.0929201169772034
Energy: 2.3782739672350632
Energy: 2.332551554997343
Energy: 2.676059144490281
Energy: 2.4081045118275655
Energy: 2.1950850651408653
Energy: 2.3375786862257897
Energy: 2.4260805308965834
Energy: 2.552926192877647
Energy: 2.456538970320637
Energy: 2.1977062123019837
Energy: 2.5567587537662813
Energy: 2.1261851126429363
Energy: 2.4301300410910764
Energy: 2.468334395365293
Energy: 2.4492836686017907
Energy: 2.5668558076632633
Energy: 2.2718264035605737
Energy: 2.502631695141773
Energy: 2.526982656606064
Energy: 2.3520877966570404
Energy: 2.101975643225488
Energy: 2.3821386054202462
Energy: 2.5103685728068363
Energy: 2.626476974568954
Energy: 2.1759392348821267
Energy: 2.107364547587922
Energy: 2.5072796316837866
Energy: 2.5467275921091934
Energy: 2.804945069148018
Energy: 2.1736552244177423
Energy: 1.8528905766106551
Energy: 2.4388715364358187
Energy: 2.723321992260801
Energy: 2.7847057939453133
Energy: 2.185878885787466
Energy: 1.898132610404444
Energy: 2.4981127121527535
Energy: 2.187232961494468
Energy: 2.8359656542418192
Energy: 2.16784787583448
Energy: 2.0534518683584566
Energy: 2.0929856959112305
Energy: 2.1227833557008235
Energy: 2.6085984689947006
Energy: 2.795559696976788
Energy: 2.086007471318597
Energy: 2.0987635295078366
Energy: 2.570106675628698
Energy: 2.774948884270155
Energy: 2.501010175059848
Energy: 2.6665966510913512
Energy: 1.8657896338322943
Energy: 1.9967986617991973
Energy: 2.7836700221220694
Energy: 2.396330884227742
Energy: 2.2395132003414893
Energy: 1.8903553363971595
Energy: 2.1552645835351827
Energy: 2.595504171135624
Energy: 2.3570427322287024
Energy: 2.714484849655648
Energy: 2.1680403771451977
Energy: 1.948372533990899
Energy: 2.3160546991062123
Energy: 2.6852945833120994
Energy: 2.755631472018023
Energy: 2.0641245019078602
Energy: 1.9364892362946016
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Energy: 2.629960357137572
Energy: 2.345033275753271
Energy: 2.3776146577701893
Energy: 2.322680403539751
Energy: 2.4795127972513833
Energy: 2.4068749473966697
Energy: 2.42131380694078
Energy: 2.5071628287447303
Energy: 2.3013606768744004
Energy: 2.498477586244303
Energy: 2.3937180947769607
Energy: 2.6823285016946548
Energy: 2.2496368493425303
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Energy: 2.071359607872269
Energy: 2.3734976557954393
Energy: 2.3714430169651157
Energy: 2.200517000474453
Energy: 2.4885293668296384
Energy: 1.94512700931248
Energy: 2.427065665030245
Energy: 2.8220617550288
Energy: 2.282982558258835
Energy: 2.1647091288551144
Energy: 2.2165559995352373
Energy: 2.7137354060712338
Energy: 2.7790792684453725
Energy: 2.3277136936131453
Energy: 2.195939413701585
Energy: 2.34830856294775
Energy: 2.615780089546203
Energy: 2.1247248561450323
Energy: 2.225712656049924
Energy: 1.999234714468784
Energy: 2.0581122279308874
Energy: 2.822359191489134
Energy: 2.185869550684593
Energy: 2.2293371280820757
Energy: 2.004499913139786
Energy: 2.083514036198009
Energy: 2.7115736150528496
Energy: 2.767667335886949
Energy: 2.7691927848025903
Energy: 2.140446023151486
Energy: 2.174391738736224
Energy: 2.2476416751216584
Energy: 2.638964271927867
Energy: 2.992127282956608
Energy: 2.1929282785146103
Energy: 2.181045477927206
Energy: 2.2873144739685594
Energy: 2.4606063315071087
Energy: 2.8754504925229143
Energy: 2.707634451711853
Energy: 2.133987165390087
Energy: 1.8252228316825936
Energy: 2.4731450531574555
Energy: 2.725956450064907
Energy: 2.747417658873643
Energy: 2.1689667877055774
Energy: 1.9393555264948605
Energy: 2.0057726004136422
Energy: 2.4761063741713967
Energy: 2.4976022624038303
Energy: 2.716452147882661
Energy: 1.9249382673181006
Energy: 2.1657118345059354
Energy: 2.625245059176118
Energy: 2.960585031059657
Energy: 2.5736412722918947
Energy: 2.010726292695712
Energy: 2.3333333140836374
Energy: 2.403592339024776
Energy: 2.7077757227316246
Energy: 2.570300914702252
Energy: 2.1923907521073858
Energy: 2.36658263242595
Energy: 2.338966003449477
Energy: 2.894206566940087
Energy: 2.4725575146975523
Energy: 2.1961843305812105
Energy: 2.570766372696522
Energy: 1.9120138677854566
Energy: 2.49639384993382
Energy: 2.315665179189104
Energy: 2.3073513411703384
Energy: 2.482717240311024
Energy: 2.119799560730279
Energy: 2.581002690461658
Energy: 1.9004916040274564
Energy: 2.5217753570585875
Energy: 2.1110841993242344
Energy: 2.5084501288245757
Energy: 2.5912531571118618
Energy: 2.3940250890660133
Energy: 2.1668459256884978
Energy: 2.0706723456823974
Energy: 2.5538932864223174
Energy: 2.4733075632130355
Energy: 2.374525460879034
Energy: 2.203419823723723
Energy: 1.9609678675180326
Energy: 2.708310701793902
Energy: 2.575632861884743
Energy: 2.8558273557143115
Energy: 2.2057817942666733
Energy: 1.8595077089140002
Energy: 2.7514153341630063
Energy: 2.651030286242941
Energy: 2.891426109876176
Energy: 2.3647772896304735
Energy: 2.0522622050683847
Energy: 2.0777059519086754
Energy: 2.3532106123707637
Energy: 2.51664786125212
Energy: 2.9129188858223145
Energy: 2.2102536737713407
Energy: 2.177197462973531
Energy: 2.599444964382652
Energy: 2.4341996699792174
Energy: 2.575603074567636
Energy: 2.12720388455754
Energy: 1.9455170411469194
Energy: 2.0943249708798515
Energy: 2.766421002957651
Energy: 2.8148925454431577
Energy: 2.1184933621623006
Energy: 1.8994376134298472
Energy: 2.118553212195473
Energy: 2.7470335665527976
Energy: 2.750429778255851
Energy: 2.6917660661830665
Energy: 2.5868817125526915
Energy: 1.900823246919421
Energy: 2.3160259192285215
Energy: 2.751809610066057
Energy: 2.5504387424110146
Energy: 2.237430837012878
Energy: 1.9190996461161673
Energy: 2.3264524257451455
Energy: 2.61240170185458
Energy: 2.6113669978191396
Energy: 2.3104986877607954
Energy: 2.356105996594223
Energy: 2.4052837880767086
Energy: 2.3647094569330847
Energy: 2.375594531286589
Energy: 2.303121626874138
Energy: 2.281718140141954
Energy: 2.390814772358257
Energy: 2.4607415503874357
Energy: 2.464310183405291
Energy: 2.0784126292188043
Energy: 2.8769621223437514
Energy: 1.966500953614523
Energy: 2.412178547142832
Energy: 2.4897548756905286
Energy: 2.2991430711935448
Energy: 2.9142269320995364
Energy: 2.008839147447293
Energy: 2.5704130841319173
Energy: 2.7861639181992954
Energy: 2.492558413597612
Energy: 2.209399557182046
Energy: 2.509991465557824
Energy: 2.612400228583556
Energy: 2.7694755644050697
Energy: 2.4425829988076027
Energy: 2.2358991308505347
Energy: 2.285081382882502
Energy: 2.5850956584545455
Energy: 2.4060603965444938
Energy: 2.3233034151745975
Energy: 1.987179860348829
Energy: 2.3576287897541226
Energy: 2.83840256601386
Energy: 2.3325086456950763
Energy: 2.294588348152737
Energy: 1.9391703947946968
Energy: 2.4760124474133365
Energy: 2.7623295541117012

minimum gb energy = 1.7746299379473696 eV
minimum distance =  2.17050035306456 Angstroms
sigma value = 75


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

Energy: 2.303400891908653
Energy: 2.6192633242925965
Energy: 1.9562587044969477
Energy: 1.9729076880253607
Energy: 2.4985924026917057
Energy: 2.2317314576456364
Energy: 2.953279350960997
Energy: 2.138583693423381
Energy: 2.2383159234340906
Energy: 2.587499462890156
Energy: 2.369512341003013
Energy: 2.9821285026552786
Energy: 2.380097388174581
Energy: 1.999544016675606
Energy: 2.274130099839276
Energy: 2.4907324697853452
Energy: 3.0950425749104835
Energy: 2.3559266058294117
Energy: 2.24395428970764
Energy: 2.343300117507619
Energy: 2.3779201702075663
Energy: 2.8444190190125007
Energy: 2.4369566507302047
Energy: 2.146780030716278
Energy: 1.9909456222254895
Energy: 2.448958837986727
Energy: 2.8437758249635747
Energy: 2.6136891134960996
Energy: 2.078159706732409
Energy: 1.950240745927314
Energy: 2.2353519852916124
Energy: 2.4210690266213537
Energy: 2.82118615665309
Energy: 2.260259713116863
Energy: 2.034453516699212
Energy: 2.2915360837337913
Energy: 2.448205724086507
Energy: 2.8181091812217116
Energy: 2.319627029282091
Energy: 1.9504051706555237
Energy: 2.5065376375355366
Energy: 2.516916665819857
Energy: 2.750976331495033
Energy: 2.059331358524732
Energy: 2.6448939757752377
Energy: 2.5673508108695797
Energy: 2.4732873227850574
Energy: 2.866358913813993
Energy: 2.0760067546527994
Energy: 2.674693369754535
Energy: 2.5049563948417277
Energy: 2.579420928713956
Energy: 2.8162000107993865
Energy: 2.078477433615566
Energy: 2.3058549283039085
Energy: 2.4840072958687287
Energy: 2.2188784052615427
Energy: 2.7496893532944853
Energy: 2.1072742606065202
Energy: 2.3787040489128537
Energy: 2.2718481416567498
Energy: 2.3267305682822883
Energy: 3.05367600580611
Energy: 2.3089775256527636
Energy: 2.0986473964074155
Energy: 2.2525506765932315
Energy: 2.2671009384415095
Energy: 3.011759356545999
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Energy: 2.2255866866186973
Energy: 1.812955216315593
Energy: 2.4549598337830023
Energy: 2.0660775903068567
Energy: 2.593990714340738
Energy: 2.252004478690377
Energy: 1.8611105130680405
Energy: 2.3021680654056307
Energy: 1.9762877551354372
Energy: 2.805851192729552
Energy: 2.2671370404681843
Energy: 2.123139948601897
Energy: 2.2889694559192555
Energy: 2.5442528573322245
Energy: 2.7897931282310084
Energy: 2.187788593897134
Energy: 2.1219037481778003
Energy: 2.3246284021317924
Energy: 2.629810425401981
Energy: 2.6426009240710893
Energy: 2.20821603918873
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Energy: 2.5698941783528975
Energy: 2.49479742993226
Energy: 2.8376091152685254
Energy: 2.063226703044177
Energy: 2.596762510132964
Energy: 2.5673154145558557
Energy: 2.459482512016723
Energy: 2.243446627457815
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Energy: 2.3088385034998753
Energy: 2.655093171861966
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Energy: 2.9464282207751062
Energy: 2.3835789187841825
Energy: 2.350180588796367
Energy: 2.349794033716376
Energy: 2.3996266339675048
Energy: 2.503420773893709
Energy: 2.101346221484531
Energy: 2.1377357457935626
Energy: 2.376706804548205
Energy: 2.446620167173723
Energy: 3.030880532683018
Energy: 2.2665475940178794
Energy: 2.0097319111142666
Energy: 2.550109638859399
Energy: 2.3971276654501
Energy: 3.2278370557856726
Energy: 2.1065296487661644
Energy: 2.4327065972455717
Energy: 1.9099337119946322
Energy: 2.4805426578623235
Energy: 2.0945065492436514
Energy: 2.944174497572839
Energy: 2.5224670214771416
Energy: 1.9871508126375395
Energy: 2.463464856590508
Energy: 1.9562903079182017
Energy: 2.8732110135485773
Energy: 2.1732919542443496
Energy: 2.463829416087072
Energy: 2.3763377195506123
Energy: 2.6349648915714043
Energy: 2.477779573988321
Energy: 2.1794081520009256
Energy: 2.6307386583326346
Energy: 2.292096399579401
Energy: 2.5537920144428026
Energy: 2.4534514966604526
Energy: 2.040606168308302
Energy: 2.6493355201756192
Energy: 2.334421594763471
Energy: 2.352270454339151
Energy: 2.2075677267711917
Energy: 2.022915583083324
Energy: 2.6421616018049843
Energy: 2.3298386565085436
Energy: 2.5889466224595656
Energy: 2.2039733098923855
Energy: 2.2749835632101236
Energy: 2.2623752263986345
Energy: 2.306773763309629
Energy: 2.3398439514345193
Energy: 2.460194071078449
Energy: 2.1682804849907904
Energy: 2.415587156707762
Energy: 2.3438305360332325
Energy: 2.3643384642154346
Energy: 2.50929731721265
Energy: 2.1341571562989863
Energy: 2.054303346195352
Energy: 2.4904922965646747
Energy: 2.532125176860752
Energy: 2.5543262347533426
Energy: 2.1095773536492723
Energy: 2.115843578836079
Energy: 2.63012876382228
Energy: 2.5849651779228005
Energy: 2.3681903793172285
Energy: 2.6607563264562835
Energy: 2.7548511274302276
Energy: 1.9270727684865097
Energy: 2.1934419374733456
Energy: 2.0628541329043784
Energy: 2.6519799158573547
Energy: 2.687746590039626
Energy: 2.000022212058909
Energy: 2.2316175108758523
Energy: 2.037434691697729
Energy: 2.4403325533497338
Energy: 2.3135907137310316
Energy: 2.61109443474464
Energy: 2.340325391082946
Energy: 2.4916883949633677
Energy: 2.44565481098484
Energy: 2.4017269755944177
Energy: 2.6097597615235113
Energy: 2.375957053112392
Energy: 2.819444955795134
Energy: 2.223309349152046
Energy: 2.0089376707513518
Energy: 2.766411172625747
Energy: 2.266278963934213
Energy: 2.469414183227291
Energy: 2.2301101014329454
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minimum gb energy = 1.787714760269023 eV
minimum distance =  2.12997672651107 Angstroms
sigma value = 105


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

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Energy: 2.6422307975398285
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Energy: 1.9346772053534675
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Energy: 2.6293197317090415
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Energy: 2.7692626811870173
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Energy: 1.9993484141157751
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Energy: 2.511356433704981
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Energy: 2.3758957867277344
Energy: 2.0939563368706584
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Energy: 2.325292859365997
Energy: 2.1119321040874857
Energy: 2.018132564754482
Energy: 2.629898199376343
Energy: 2.6263063079149864
Energy: 2.2916822304519795
Energy: 2.5912097095305446
Energy: 1.9260177190495529
Energy: 2.2885723200700796
Energy: 2.705584166423116
Energy: 2.2708780925894425
Energy: 2.4922471070764454
Energy: 1.9190789919822824
Energy: 2.30298977053862
Energy: 2.854682730795155
Energy: 2.5670252891334133
Energy: 2.095562305465453
Energy: 2.198223868516223
Energy: 2.4379496782377235
Energy: 2.671369193861839
Energy: 2.7178939258991064
Energy: 1.902995218019021
Energy: 2.119474523648626
Energy: 2.5172989739871534
Energy: 2.4512917292316776
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Energy: 1.8177592639146014
Energy: 2.229588149243817
Energy: 2.7539997091719135
Energy: 2.4024961264785403
Energy: 2.1514462851168425
Energy: 1.7683585480491548
Energy: 2.384220140154629
Energy: 3.0688778422656577

minimum gb energy = 1.7407133943819166 eV
minimum distance =  2.18868807664916 Angstroms
sigma value = 165


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

Energy: 2.0136971096991534
Energy: 2.5916978155584194
Energy: 1.974712494996433
Energy: 2.10461031264885
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Energy: 1.8931153681303041
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Energy: 2.08675883333508
Energy: 2.0949229413653865
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Energy: 2.6893146718311494
Energy: 2.302707652171131
Energy: 2.2269521755261974
Energy: 2.1306065364983637
Energy: 2.9164721086888665
Energy: 2.3586351519663413
Energy: 2.5065771424441583
Energy: 1.9123032777009337
Energy: 2.46661531509714
Energy: 2.9563821862816404
Energy: 2.3387700810128678
Energy: 2.257883762069601
Energy: 1.8715568330267185
Energy: 2.403514791352126
Energy: 2.532935179172626
Energy: 2.2915687054374203
Energy: 2.2916709478067276
Energy: 1.8240472182351986
Energy: 1.9808998730853273
Energy: 2.512185217169138
Energy: 2.534564919017435
Energy: 2.3172809716239464
Energy: 1.7027825250597637
Energy: 1.9751865831808557
Energy: 2.821535296293806
Energy: 2.536123764117664
Energy: 2.168545051575252
Energy: 2.0094997883414814
Energy: 2.476089785589856
Energy: 2.722721865452386
Energy: 2.5788924886234508
Energy: 1.933244819724152
Energy: 2.0345158683637967
Energy: 2.7052672828130944

minimum gb energy = 1.7027825250597637 eV
minimum distance =  2.07215535618592 Angstroms
sigma value = 41


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

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Energy: 2.744959932595788
Energy: 1.776177494261198
Energy: 1.931042052367788
Energy: 2.506222657192317
Energy: 2.4335290908594756
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Energy: 1.7169311408955867
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Energy: 2.4239089168967216
Energy: 2.879844507269366
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Energy: 2.3535292140249218
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Energy: 1.5564104478514946
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Energy: 1.985620439409864
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Energy: 2.7756726220347736
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Energy: 2.787525529920499
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Energy: 1.9904297859218354
Energy: 2.449036595391725
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Energy: 2.8124718193892293
Energy: 2.5843154715423955
Energy: 2.334288703560139
Energy: 1.8963209968894015
Energy: 2.4470616547805966
Energy: 3.0437263112976667
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Energy: 1.4873520899293735
Energy: 2.3614056535039216
Energy: 2.9847005218828495
Energy: 2.3461163596097494
Energy: 2.330886848669472
Energy: 1.5157499424779115
Energy: 2.505350569108478
Energy: 2.8109828214530084
Energy: 2.0328372334553384
Energy: 1.4798729468638285
Energy: 1.894769215983635
Energy: 2.380063127018707
Energy: 2.7772993127363406
Energy: 2.210014504330257
Energy: 1.435243969231658
Energy: 2.094385251366104
Energy: 2.8481356981577526
Energy: 2.355373778060166
Energy: 2.491566624990851
Energy: 1.814249694763361
Energy: 2.45263691812576
Energy: 2.954692107944948
Energy: 2.4691772429536405
Energy: 2.601416376286783
Energy: 1.74652595194535
Energy: 2.352943083636449
Energy: 2.750330458434085
Energy: 2.741329073873014
Energy: 1.9793680467082049
Energy: 1.6306713942253885
Energy: 1.850495482660267
Energy: 2.8689127047129155
Energy: 2.5557351926019343
Energy: 1.9129508514655196
Energy: 1.5347937787574109
Energy: 1.9943659040766728
Energy: 2.740416738798513
Energy: 2.494400457436373
Energy: 1.7570238441926687
Energy: 2.015141787456867
Energy: 2.6864636582578787
Energy: 2.5268528209400403
Energy: 2.4236155096843777
Energy: 1.5463813827702984
Energy: 1.922600680575915
Energy: 2.9268645694140982

minimum gb energy = 1.419412901314173 eV
minimum distance =  2.21158863176613 Angstroms
sigma value = 185


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

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Energy: 2.309947020189984
Energy: 2.881604226124188
Energy: 2.8359645058779313
Energy: 1.419299971648402
Energy: 0.8521406354628139
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Energy: 3.208561853134438
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Energy: 1.393202048863829
Energy: 1.0011442134508763
Energy: 2.6311492751739216
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Energy: 2.5720313730420514
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Energy: 1.2952662596048794
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Energy: 2.9093974035842765
Energy: 2.2484870220735975
Energy: 1.2660721453260302
Energy: 2.1013487063999414
Energy: 3.256521072623347
Energy: 3.331430167665713
Energy: 2.117033842429981
Energy: 1.3357478587018452
Energy: 2.081820983099822
Energy: 3.267849450684954
Energy: 3.3963506399583574
Energy: 1.677861379209254
Energy: 0.9247500396324845
Energy: 2.7024967650901823
Energy: 2.8771379179721874
Energy: 2.6527745766649766
Energy: 1.2944563564677922
Energy: 0.9146871148799655
Energy: 2.6956841334129713
Energy: 2.8830882084306886
Energy: 2.2173244277757704
Energy: 1.6837524900079668
Energy: 2.225857912919839
Energy: 2.976132750845256
Energy: 2.877230902722872
Energy: 2.548199210380898
Energy: 1.3341022439920742
Energy: 2.0182872556581537
Energy: 2.8490013064225677
Energy: 2.895903324000859
Energy: 1.9977256020259653
Energy: 1.1902274519589493
Energy: 2.3468870948422875
Energy: 2.8817365843297886
Energy: 3.2352293480327323
Energy: 1.970087025638854
Energy: 0.8522562395829285
Energy: 1.701982634034805
Energy: 2.898201928990335
Energy: 3.317056948238654
Energy: 2.0168219496203625

minimum gb energy = 0.7431165343511149 eV
minimum distance =  2.31873760829159 Angstroms
sigma value = 33


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

Energy: 2.088676824382448
Energy: 2.605760675667411
Energy: 1.5664024782340018
Energy: 1.7693936803643777
Energy: 2.7345833754946653
Energy: 2.1188318584527153
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Energy: 2.2061719832413687
Energy: 1.4547937540904488
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Energy: 2.13420004289354
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Energy: 2.1740381670443023
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Energy: 2.46092540479721
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Energy: 1.7254181238335111
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Energy: 2.378943760382815
Energy: 2.248130864220462
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Energy: 2.0479708155131364
Energy: 1.8103637455131545
Energy: 2.169978816749421
Energy: 1.8509243678632208
Energy: 1.7558977838692404
Energy: 1.8985605554716742
Energy: 2.567475062578037
Energy: 2.289264736890757
Energy: 2.015454818790503
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Energy: 2.4823873001195236
Energy: 2.681119502889315
Energy: 1.5764213721472589
Energy: 1.9086789652959932
Energy: 2.861209724489832

minimum gb energy = 1.13291730285148 eV
minimum distance =  2.20719823628757 Angstroms
sigma value = 219


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

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Energy: 2.031287923799128
Energy: 2.24519111171203
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Energy: 2.213098877660182
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Energy: 2.828885654022215
Energy: 2.287057212466092
Energy: 2.2484647408890774
Energy: 2.2106218966003084
Energy: 2.7045389771924357

minimum gb energy = 1.7464032450207319 eV
minimum distance =  2.15612470445628 Angstroms
sigma value = 15


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

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Energy: 3.15594057957513
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Energy: 2.7458513303307575
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Energy: 2.5497084544711117
Energy: 2.6677004996258753
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minimum gb energy = 1.746839531900159 eV
minimum distance =  2.24651099759315 Angstroms
sigma value = 293


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

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Energy: 2.590316591333556
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Energy: 3.043290009965052
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Energy: 1.991503823262818
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Energy: 2.252894630223232
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Energy: 2.8015251676655044
Energy: 2.9015882211137622
Energy: 2.4430439939971715
Energy: 2.770789338712821
Energy: 2.3537555066290468
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Energy: 2.665806320152203
Energy: 2.134966170841189
Energy: 2.3025998430695687
Energy: 2.3414025359795176
Energy: 2.632619430385659
Energy: 2.3750426539073555
Energy: 2.219077440855865
Energy: 2.439822722942054
Energy: 2.3992894674234138
Energy: 2.193004088874265
Energy: 1.8109607085465305
Energy: 2.633684397705711
Energy: 2.772233128194044
Energy: 3.0142403703179603
Energy: 2.130766638878819
Energy: 2.1888913966018744
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Energy: 2.8292275276125136
Energy: 3.0094750683495115
Energy: 2.4477090094865703
Energy: 2.289262227556972
Energy: 2.5429091760946587
Energy: 2.6918102148153453
Energy: 2.8756153484136067
Energy: 2.513576157746349
Energy: 2.3371773301303387
Energy: 2.5208809089276465
Energy: 2.687634695217192
Energy: 2.700069614488397
Energy: 2.4394463100988384
Energy: 2.0104952560629434
Energy: 2.805900758761982
Energy: 2.915152247599869
Energy: 2.7049763963687288
Energy: 2.2062120432034633
Energy: 1.8815971918045897
Energy: 2.6773739907131158
Energy: 2.728718755274107
Energy: 2.593748764611182
Energy: 2.6674139408114512
Energy: 2.684166349931721
Energy: 2.3371879623174494
Energy: 2.513989642034978
Energy: 2.4199379557340976
Energy: 2.74293621213488
Energy: 2.555689534965223
Energy: 2.2452980502979907
Energy: 2.4848346367817795
Energy: 2.4191169737501728
Energy: 2.475912196216323
Energy: 2.6905816399732667
Energy: 2.5626540844810632
Energy: 2.7400697671356986
Energy: 2.9388683816538874
Energy: 2.47157215181293
Energy: 2.696420726390854
Energy: 2.729571868812707
Energy: 2.359499587207307
Energy: 2.9166756320651284

minimum gb energy = 1.7131302619230484 eV
minimum distance =  2.15660728518858 Angstroms
sigma value = 293


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

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Energy: 2.4123029361170247
Energy: 2.5323533932354048
Energy: 2.601349761585806
Energy: 2.007139655183037
Energy: 1.2713044718411433
Energy: 2.692602581523227
Energy: 2.7451719998328716
Energy: 2.641833470674573
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Energy: 3.094228228013349
Energy: 2.7304705303474432
Energy: 3.321047462884469
Energy: 2.311866637103064
Energy: 2.6072210426142695
Energy: 2.9592895378796302
Energy: 3.2745931968190414
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Energy: 2.145255929102034
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Energy: 3.3465731495584716
Energy: 3.358254221519599
Energy: 1.9794617936613306
Energy: 2.0083455891839113
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Energy: 2.8052362762727285
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Energy: 1.962562485189356
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Energy: 2.7173756563299003
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Energy: 3.1260042965634494
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Energy: 1.2711501695472012
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Energy: 2.6396003155626055
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Energy: 3.411058459513779
Energy: 2.3382198686082085
Energy: 1.7359658337435286
Energy: 2.6196127737216734
Energy: 3.2646847697141044
Energy: 3.160780831235499
Energy: 1.986759215595381
Energy: 1.84933747681588
Energy: 3.0863959355938113
Energy: 3.3102946232595434
Energy: 2.6641985904368126
Energy: 2.278986213107529
Energy: 1.7536507909091852
Energy: 3.042199506628134
Energy: 3.0498620731005315
Energy: 3.0955959764572207
Energy: 1.9759163784652485
Energy: 1.712853258152427
Energy: 2.3725607209778357
Energy: 3.062210774762973
Energy: 2.76321515784024
Energy: 2.6021057594224706
Energy: 2.8341774933793067
Energy: 2.7177823205449614
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Energy: 2.6850494360801758
Energy: 3.3977784398350583
Energy: 2.733029520342682
Energy: 2.6592945764493066
Energy: 2.48295104254177
Energy: 3.158887263127989
Energy: 2.215144671325547
Energy: 3.015455621879537
Energy: 2.1618281491802076
Energy: 2.606936642967172
Energy: 3.5328031104510673
Energy: 2.544579217029127
Energy: 2.975774655494258
Energy: 2.5654249244817815
Energy: 2.6762304094968106
Energy: 2.7325622995875345
Energy: 3.326356311142898
Energy: 2.533652609150694
Energy: 1.490148506046553
Energy: 2.3629389442990747
Energy: 2.687290941762004
Energy: 2.8586600583442747
Energy: 3.2491143665806534
Energy: 1.6263897187826581
Energy: 2.3575503219981866
Energy: 2.910143239130825
Energy: 2.0368102161736017
Energy: 2.5600119621294026
Energy: 1.96774427741743
Energy: 2.5686778122312024
Energy: 2.7022218153751374
Energy: 2.790003733796188
Energy: 3.038508708022112
Energy: 2.3354067515771306
Energy: 2.4177784265575744
Energy: 2.6665768985300367
Energy: 2.5999397229739336
Energy: 2.7799192761738896
Energy: 3.0846139622658586
Energy: 2.47426181079742
Energy: 2.280728648179558
Energy: 2.6725909167589723
Energy: 2.232268430304394
Energy: 2.9226786101882243
Energy: 2.727474956688012
Energy: 1.9767073219816593
Energy: 2.5376455173523467
Energy: 3.703531013403318
Energy: 3.281459689630197
Energy: 3.0662277178447206
Energy: 1.9870995135678895
Energy: 2.6018459475298514
Energy: 2.5246703194291076
Energy: 3.215563111479523
Energy: 2.7967751339101423

minimum gb energy = 1.270328796586513 eV
minimum distance =  2.09474446008517 Angstroms
sigma value = 15


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

Energy: 2.5623514423105513
Energy: 3.322073040594997
Energy: 2.5961759326226574
Energy: 2.5219328239451153
Energy: 3.03325180034285
Energy: 2.439360697807028
Energy: 3.0706690547547897
Energy: 2.596092315075739
Energy: 2.5244351617025034
Energy: 2.6284808306337224
Energy: 2.6295363332618718
Energy: 2.554761374701985
Energy: 2.0882907041841636
Energy: 2.0680314375159137
Energy: 2.8350191873820214
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Energy: 2.3370939158306006
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Energy: 2.548008125747796
Energy: 2.6026601521869495
Energy: 2.7095768472659887
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Energy: 2.378731932009223
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Energy: 2.438204429574863
Energy: 2.9753144711763797
Energy: 2.423322784425991
Energy: 2.4655415015344877
Energy: 2.8948961673371585
Energy: 2.4391974440058743
Energy: 3.0254638463764874
Energy: 2.5198482417292962
Energy: 2.595025442730569
Energy: 2.652220324764203
Energy: 2.855568129180202
Energy: 2.7098141759505774
Energy: 2.112385886484492
Energy: 2.1835303374763866
Energy: 2.8603658814457242
Energy: 2.9629671890753486
Energy: 2.709613166101455
Energy: 1.887693612530811
Energy: 2.256141105944894
Energy: 2.9565550692028117
Energy: 2.469751160032701
Energy: 2.499079660238058
Energy: 2.3203282874196884
Energy: 2.2851884456831484
Energy: 2.3960115293229203
Energy: 2.3802515782136435
Energy: 2.5089454219568585
Energy: 2.305455558225336
Energy: 2.3010086094103706
Energy: 2.490189256303212
Energy: 2.2225013613688347
Energy: 2.7208470688237556
Energy: 2.899912474621455
Energy: 2.5181092989564373
Energy: 2.12440618546981
Energy: 2.249072905367304
Energy: 2.808100960092354
Energy: 2.900844609281007
Energy: 2.516992190901078
Energy: 1.9252671439587101
Energy: 2.5920825371005844
Energy: 2.9551883871468636
Energy: 2.3922125567705037
Energy: 2.9450822446043143
Energy: 2.354257113674381
Energy: 2.6628955512991395
Energy: 2.792855452697705
Energy: 2.520904772029969
Energy: 2.6418329200727975
Energy: 2.390616570385423
Energy: 2.4174015853641047
Energy: 2.577181814885629
Energy: 2.778867051669546
Energy: 2.627990466389485
Energy: 1.8751149755404992
Energy: 2.568130877011012
Energy: 2.4709896760378984
Energy: 2.5808645292851886
Energy: 2.635258051995823
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Energy: 2.3072048833699044
Energy: 1.8983828202353676
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Energy: 2.5789017321288843
Energy: 2.7381248905522493
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Energy: 1.928868777366025
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Energy: 2.6347841405473273
Energy: 2.7556282301014585
Energy: 2.311459396772653
Energy: 2.0973230560450227
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Energy: 2.580038862030067
Energy: 2.7550509015549105
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Energy: 2.665365361459145
Energy: 2.6871975094003018
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Energy: 2.6209936104289597
Energy: 2.6897996389254475
Energy: 2.807248950758807
Energy: 2.7747256348519502
Energy: 3.057983106310484
Energy: 2.7028871700289585
Energy: 2.796999515804082
Energy: 2.616670721187167
Energy: 2.8321016526483507
Energy: 2.690796021103933
Energy: 2.1392723515962975
Energy: 2.796932504585641
Energy: 2.2763798843500695
Energy: 2.435472263952549
Energy: 2.6131801787779754
Energy: 2.1873763333999467
Energy: 2.925690809881517
Energy: 2.2265584430468826
Energy: 2.4286912539519925
Energy: 2.726435044635024
Energy: 2.4967438204876475
Energy: 2.2453833909692498
Energy: 2.0502472786251897
Energy: 2.265609366289867
Energy: 2.7845828320862513
Energy: 2.4208014143104064
Energy: 2.1499060200839284
Energy: 1.8644180329224969
Energy: 2.259245552432388
Energy: 1.698750225909796
Energy: 2.7417613371128646
Energy: 2.5997617958840684
Energy: 2.6436607759387445
Energy: 2.4136445084909948
Energy: 1.7983854440637492
Energy: 2.660471934894325
Energy: 2.5002251460256537
Energy: 2.6511849048263385
Energy: 2.495019342434473
Energy: 2.365578941188037
Energy: 2.7364935548427156
Energy: 2.743100504060184
Energy: 2.8496416106322364
Energy: 2.687560986199981
Energy: 2.49464909602235
Energy: 2.91672336841022
Energy: 2.7507620813470477
Energy: 2.699499036508929
Energy: 2.6700769579513013
Energy: 1.929117352471666
Energy: 2.353586723646313
Energy: 2.749212272944277
Energy: 2.5867756565419726
Energy: 2.4452628644061742
Energy: 1.8293901183510377
Energy: 2.4873336926421814
Energy: 2.655765311558637
Energy: 2.6105454523422873
Energy: 2.4868912026836423
Energy: 2.4222195216278384
Energy: 2.173622425988969
Energy: 2.4457532029656552
Energy: 2.358953293721738
Energy: 2.3910466774816435
Energy: 2.4945239215865627
Energy: 2.2473968986803676
Energy: 2.481704988952992
Energy: 2.3762615169069328
Energy: 2.291783407682482
Energy: 2.585004153459151
Energy: 2.2376877067130576
Energy: 1.96175978636924
Energy: 2.415361911836796
Energy: 2.397360394514325
Energy: 2.6290407599653576
Energy: 2.2689195260270116
Energy: 2.0052244791684837
Energy: 2.7346241180413413
Energy: 2.86750768325668
Energy: 2.842193842864578
Energy: 2.562882033267846
Energy: 2.4240209235404855
Energy: 2.902090369746054
Energy: 2.208358857431123
Energy: 2.871214580883906
Energy: 2.554961533656223
Energy: 2.5448169471552204
Energy: 2.832666408926814
Energy: 2.1471644586432936
Energy: 2.812645799891627
Energy: 2.3000912797104744
Energy: 2.1781476872515344
Energy: 2.62119840316107
Energy: 2.900124404138777
Energy: 2.777262579350935
Energy: 2.4821908692537495
Energy: 2.321532325445851
Energy: 2.686260711379513
Energy: 2.5595606898337384
Energy: 2.235266024231783
Energy: 2.542666095253062
Energy: 2.3453766920822554
Energy: 1.9882267838977385
Energy: 1.9960619271285727
Energy: 2.372937704549047
Energy: 2.6613273057016937
Energy: 2.3927202219467194
Energy: 2.0510292240500494
Energy: 2.1289145805235963
Energy: 2.5966939064582335
Energy: 2.5563464455213145
Energy: 2.384735077290045
Energy: 2.1743301815601566
Energy: 2.5621288272976077
Energy: 2.478795516857103
Energy: 2.813718542981439
Energy: 2.3723618566661075
Energy: 2.074141914201396
Energy: 2.5337932096649394
Energy: 2.9820561749515373
Energy: 2.599860804345678
Energy: 2.796922731697617
Energy: 2.6020380424238185
Energy: 3.0115642885606015
Energy: 2.9946475662146814
Energy: 2.518756166476767
Energy: 2.8224416519620257
Energy: 2.8540513447049514
Energy: 2.816198882619377
Energy: 2.5437307465690258
Energy: 2.3597939349241708
Energy: 2.5421189635034707
Energy: 2.374050187630238
Energy: 2.505300690113586
Energy: 2.4530958596714365
Energy: 2.33746819328635
Energy: 2.6761856277063623
Energy: 2.238078129657051
Energy: 2.6133954283605565
Energy: 2.0837776966015937
Energy: 1.8892788666204126
Energy: 2.474606072813167
Energy: 2.9780800631794415
Energy: 2.5822275288210546
Energy: 2.0151194254648495
Energy: 1.9424354693594295
Energy: 2.524541202585056
Energy: 2.831747736923046
Energy: 2.336397393049862
Energy: 2.327181365427882
Energy: 2.677434888939457
Energy: 2.1876669819756973
Energy: 2.3324953849345653
Energy: 2.505012642464452
Energy: 2.431390591354616
Energy: 2.588021596374472
Energy: 1.9744179986016033
Energy: 2.5574705453863382
Energy: 2.5373736058673204
Energy: 2.8612856563129063
Energy: 2.8475416268733067
Energy: 2.6675655449588187
Energy: 2.47115050670153
Energy: 3.0297101804072963
Energy: 2.7192371930546275
Energy: 2.796105510060019
Energy: 2.5003126111544036
Energy: 2.618030865386245
Energy: 3.1180304952834614

minimum gb energy = 1.698750225909796 eV
minimum distance =  2.14378841737925 Angstroms
sigma value = 437


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

Energy: 2.0814041148145614
Energy: 3.1954214682135755
Energy: 2.743268938574243
Energy: 2.868433175939724
Energy: 3.2736078540742044
Energy: 1.9635657065034462
Energy: 3.0738042762829143
Energy: 2.8304696408256693
Energy: 2.5803172063534663
Energy: 2.6892475150741757
Energy: 2.6086968893657425
Energy: 2.571425443610908
Energy: 2.0660485003970037
Energy: 2.2807612562165342
Energy: 2.6594129489903655
Energy: 2.3554569980430298
Energy: 2.5836289658362577
Energy: 2.0095463627395285
Energy: 2.4678584312955363
Energy: 2.742657426060117
Energy: 2.294526795049403
Energy: 2.4473669395789885
Energy: 2.6988388387868456
Energy: 2.4145610872358336
Energy: 2.2164358646163618
Energy: 2.3480762494071734
Energy: 2.4383529660514682
Energy: 2.539729190556004
Energy: 2.1579664095297213
Energy: 2.2670916131036836
Energy: 2.4380022379973383
Energy: 2.3133752996752683
Energy: 2.5399594914070733
Energy: 2.456610098581702
Energy: 2.1880119777650116
Energy: 2.944306160650314
Energy: 2.533223809256036
Energy: 2.585125550602367
Energy: 2.489593625136827
Energy: 2.0629560158180844
Energy: 2.7917150387288174
Energy: 2.6082497529654933
Energy: 2.4764286636032113
Energy: 3.038312632100942
Energy: 2.6864592153000832
Energy: 2.7361861207302005
Energy: 2.5931441519989096
Energy: 2.432418216254682
Energy: 2.7324200223541606
Energy: 2.8080370010059594
Energy: 2.77879121401436
Energy: 2.890041848744674
Energy: 2.2701174461474545
Energy: 2.8469247558696833
Energy: 1.9930781593805327
Energy: 2.8763025750011155
Energy: 2.665733040196709
Energy: 2.2632247369583696
Energy: 2.8894932206486224
Energy: 1.9260502502070738
Energy: 2.4158472285578863
Energy: 1.9011449938569644
Energy: 1.9522470429779486
Energy: 2.364683812157604
Energy: 2.863913814342296
Energy: 2.3836433488843602
Energy: 2.0489658994188753
Energy: 2.0088759058523737
Energy: 2.3683962220225125
Energy: 2.471245698094227
Energy: 2.2679438611121157
Energy: 2.5221205735001377
Energy: 2.6219767769792437
Energy: 2.117303654596959
Energy: 2.3065541930909497
Energy: 2.3310243989339114
Energy: 2.3769643697508664
Energy: 2.3790555119809462
Energy: 2.122165706892895
Energy: 2.3064064240781037
Energy: 2.886038783069517
Energy: 2.5731595308769797
Energy: 2.4858169628939843
Energy: 2.5021335118640473
Energy: 2.7301290430089575
Energy: 2.818175381684648
Energy: 2.5467200297252353
Energy: 2.5006315981010414
Energy: 2.402082238231144
Energy: 2.6563565044781217
Energy: 3.162892716011618
Energy: 2.694020876311482
Energy: 2.511794873501895
Energy: 2.31413996847281
Energy: 2.7986001661295496
Energy: 2.9380590237810082
Energy: 2.772796974093381
Energy: 2.660439570780844
Energy: 2.543495272295649
Energy: 2.7395217005076047
Energy: 2.49408118750803
Energy: 2.1479250387156545
Energy: 2.4464230489946615
Energy: 2.3271968295265837
Energy: 2.264877823628348
Energy: 2.46199024265863
Energy: 2.3086195865205856
Energy: 2.49926891686871
Energy: 2.2145878057381774
Energy: 2.571994981278709
Energy: 1.7803898261512632
Energy: 1.991063737468909
Energy: 2.56784730439349
Energy: 2.726593307846169
Energy: 2.229333523876762
Energy: 1.8820407011052949
Energy: 2.1129953083857917
Energy: 2.3891714798041956
Energy: 2.5907581994519373
Energy: 2.171843302002755
Energy: 2.3418809464186965
Energy: 2.8348955103232303
Energy: 2.2186749437588813
Energy: 2.204872784392684
Energy: 2.290607922924563
Energy: 2.508316684792504
Energy: 2.54294403433265
Energy: 2.20946253119062
Energy: 2.204714231035208
Energy: 2.372587864517553
Energy: 2.669838218365557
Energy: 2.871966029233368
Energy: 2.9003415899847074
Energy: 2.6733725586190364
Energy: 2.8093737168618578
Energy: 2.6134668919032156
Energy: 3.1141051550470573
Energy: 2.7166497396251725
Energy: 2.7037390919827455
Energy: 2.6926421661146844

minimum gb energy = 1.7803898261512632 eV
minimum distance =  2.2083939636986 Angstroms
sigma value = 33