Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
mass=55.845
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=[1.7494807537299598e-19, 2.47102100085186e-19, 3.02252224180734e-19, 3.46993006685184e-19, 3.85589441798244e-19, 4.1870162629312195e-19, 4.474078250445e-19, 4.72454652363822e-19, 4.94382041776746e-19, 5.1433074304668e-19, 5.32310369233428e-19, 5.4817672443993e-19, 5.621380916286059e-19, 5.743594949927579e-19, 5.849835282528119e-19, 5.941335590095859e-19, 6.01908922214388e-19, 6.085691704819259e-19, 6.140918733393239e-19, 6.184850416697519e-19, 6.218143647152039e-19, 6.24132714304602e-19, 6.25492962266868e-19, 6.25936765194486e-19, 6.254577143809199e-19, 6.23906807399208e-19, 6.210837721700999e-19, 6.17696770765824e-19, 6.129206822198699e-19, 6.0616750770756e-19, 5.97049520483466e-19, 5.85089271910656e-19, 5.697003653410859e-19, 5.5016342346609e-19, 5.25709401501348e-19, 4.951927431535499e-19, 4.571170154465399e-19, 4.0967496313716594e-19, 3.5053221486969e-19, 2.7830609220897e-19, 1.8777510150479997e-19, 7.35538464373158e-20, -7.05073075677648e-20, -2.5471404127332e-19, -4.92832736971668e-19, -8.0443686616506e-19, -1.219370173015014e-18, -1.7822933311942798e-18, -2.56272959138202e-18, -3.68739350138466e-18, -5.3720181449703e-18, -8.03422688355738e-18, -1.2560808462298558e-17, -2.1167156600091e-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: 0.018140691310968203
Energy: 0.018576266789411554
Energy: 0.6038338987009125
Energy: 1.5092130076038417
Energy: 1.5037716452523016
Energy: 0.5426556340900073
Energy: 0.01851378193727732
Energy: 0.018715092597327346
Energy: 1.0789124238954235
Energy: 0.1281654103314089
Energy: 0.3217946726142411
Energy: 1.0707790151867707
Energy: 0.020576313111085143
Energy: 0.13103721704573276
Energy: 0.01874196425706864
Energy: 1.0795967442506598
Energy: 0.32350879265956317
Energy: 0.32182370301618035
Energy: 1.0727259368398847
Energy: 0.1286445439386223
Energy: 0.13106954408156388
Energy: 0.021801623314897402
Energy: 1.0737388740807785
Energy: 0.32165403362203615
Energy: 1.0722582925982864
Energy: 1.0749130370572881
Energy: 0.12909328474120388
Energy: 0.019515886437584312
Energy: 0.12878886498565437
Energy: 1.0786389441312092
Energy: 0.128651749423839
Energy: 0.32236705556434614
Energy: 1.0711278761327034
Energy: 0.019597241874852303
Energy: 0.13145338906909496
Energy: 0.018577310114130653
Energy: 1.0760234664065673
Energy: 0.3220361581813889
Energy: 0.3209518074131814
Energy: 1.0753374067873338
Energy: 0.12817205634245557
Energy: 0.13097240543765037

minimum gb energy = 0.018140691310968203 eV
minimum distance =  2.55213113212664 Angstroms
sigma value = 5


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

Energy: 1.7510572245514937
Energy: 1.7699600180570527
Energy: 1.926448568325327
Energy: 1.7658332315469938
Energy: 1.8060143826238122
Energy: 1.849707217575154
Energy: 1.7676604580429573
Energy: 1.7048896469876038
Energy: 1.8444717061872675
Energy: 1.7461258556676564
Energy: 1.918456806093859
Energy: 1.7769804756875298
Energy: 1.7590064114588855
Energy: 1.8478347912175463
Energy: 1.7226002600716495
Energy: 1.8373902566614368
Energy: 1.8144722302050098
Energy: 1.8146498515677154
Energy: 1.7908951914314752
Energy: 1.8421387536970446
Energy: 1.8355846096863164
Energy: 1.7278831819476583
Energy: 1.904376994467992
Energy: 1.7454051788242437
Energy: 1.8116344783448295
Energy: 1.7506298778000777
Energy: 1.7277335692611426
Energy: 1.816592700524699
Energy: 1.7324841378319638
Energy: 1.7656151531326378
Energy: 1.7496297189804333
Energy: 1.765374878618242
Energy: 1.8525489654277383
Energy: 1.7559136679456238
Energy: 1.772521399024324
Energy: 1.8105369025747207
Energy: 1.8396422733230262
Energy: 1.729033164655202
Energy: 1.8169959172470618
Energy: 1.793979665614538
Energy: 1.8815711942701525
Energy: 1.9408351501633527
Energy: 1.730999725269435
Energy: 1.8276865173066954
Energy: 1.7595033240659592
Energy: 1.7154448152131863
Energy: 1.7314476160355932
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Energy: 1.8013404308336698
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Energy: 1.791258319751564
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Energy: 1.8439492242143936
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Energy: 1.8710422136018434
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Energy: 1.7764339584804292
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Energy: 1.8314257997694603
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Energy: 1.8366954876255948
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Energy: 1.9151039596236765
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Energy: 1.727314516128325
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Energy: 1.7747344391994648
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Energy: 1.8143536519836503
Energy: 1.8110319008263707
Energy: 1.8540206610767995
Energy: 1.8427808613408099
Energy: 1.7241265766127178
Energy: 1.846669900627727
Energy: 1.754829502186584
Energy: 1.8124198610324165
Energy: 1.7699991777621686
Energy: 1.7739758486265773
Energy: 1.8066450370077183
Energy: 1.8076164078316042
Energy: 1.8222661632134258
Energy: 1.7504345331907332
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Energy: 1.7293011962020786
Energy: 1.7530243063866862
Energy: 1.8244271416716573
Energy: 1.8093927037522193
Energy: 1.837835853269813
Energy: 1.7508203020612856
Energy: 1.815542623047599
Energy: 1.7304791978960832
Energy: 1.7556838461950894
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Energy: 1.8090288806406873
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Energy: 1.6729526404014219
Energy: 1.905310545517087
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Energy: 1.7422334179393681
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Energy: 1.7570541227583196
Energy: 1.7646923521082813
Energy: 1.7061444264234262
Energy: 1.7600155285345953
Energy: 1.8973473551700732
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Energy: 1.8506949176312744
Energy: 1.853544809074096
Energy: 1.7893165159803543
Energy: 1.8754759304777504
Energy: 1.7577467650389709
Energy: 1.8097384711108389
Energy: 1.7464560128083375
Energy: 1.741554671922736
Energy: 1.8184196109692639
Energy: 1.766662180999184
Energy: 1.75521195715898
Energy: 1.8262109830470197
Energy: 1.7071686111230653
Energy: 1.832563149369823
Energy: 1.8160717528434125
Energy: 1.828853356387459
Energy: 1.8143592137110773
Energy: 1.7447883725987985
Energy: 1.7163763494881594
Energy: 1.7384031994649605
Energy: 1.71549565460493
Energy: 1.8136582733735842
Energy: 1.7806570489445537
Energy: 1.7936967234737853
Energy: 1.866093032281022
Energy: 1.7434318218885474
Energy: 1.7812978581959258
Energy: 1.7064758113216034
Energy: 1.8331696401504893
Energy: 1.833441345360103
Energy: 1.7414012257362688
Energy: 1.746746989705582
Energy: 1.7488371120326878
Energy: 1.7285652131539
Energy: 1.8014977889787251
Energy: 1.779131891659295
Energy: 1.8489345341560324
Energy: 1.8357930071925217
Energy: 1.7168843416288926
Energy: 1.7389014937258351
Energy: 1.8933870837679223
Energy: 1.7042524590880546
Energy: 1.8313135120890547
Energy: 1.7359625469269802
Energy: 1.7308189170069974
Energy: 1.7930259438192726
Energy: 1.6997063250553142
Energy: 1.8292193652436992
Energy: 1.787234166957178
Energy: 1.872676075130532
Energy: 1.9760079791294947
Energy: 1.729096389286629
Energy: 1.8212193031440116
Energy: 1.777496770623094
Energy: 1.7610788898274157
Energy: 1.7861558742705734
Energy: 1.773182629307233
Energy: 1.8040829647090677
Energy: 1.6997743609631604
Energy: 1.8045261880923489
Energy: 1.7492253001345233
Energy: 1.7192551080933849
Energy: 1.7843873327196436
Energy: 1.7574557859289737
Energy: 1.9267897108292624
Energy: 1.8510782854285537
Energy: 1.7961925518986772

minimum gb energy = 1.6729526404014219 eV
minimum distance =  2.28477141615417 Angstroms
sigma value = 401


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

Energy: 1.8848032890579078
Energy: 1.7862212919968996
Energy: 1.8622149259408876
Energy: 1.8188000841234833
Energy: 1.8030274850551675
Energy: 1.80308145907948
Energy: 1.7819405486724
Energy: 1.7387543591104404
Energy: 1.786602384585488
Energy: 1.8318090901255177
Energy: 1.9305400947246736
Energy: 1.709058198673454
Energy: 1.7592872066085152
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Energy: 1.7470442199407874
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Energy: 1.8148615079823978
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Energy: 1.8466989043767097
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Energy: 1.7404206137040628
Energy: 1.7718226690338732
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Energy: 1.773768492468293
Energy: 1.794533414408523
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Energy: 1.8387507405560142
Energy: 1.7718493552456362
Energy: 1.7689712052714042
Energy: 1.7435185228292571
Energy: 1.8003152212778917
Energy: 2.0078406687712698
Energy: 1.7698661872880157
Energy: 1.7995032500574522
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Energy: 1.7926202782235368
Energy: 2.0311385801068673
Energy: 1.9160716306441423
Energy: 1.8350449351200904
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Energy: 1.8527504241602712
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Energy: 1.7964792573182118
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Energy: 1.7547505232215437
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Energy: 1.8421987310805985
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Energy: 1.77050526765034
Energy: 1.7437561329632585
Energy: 1.7958609506231453
Energy: 1.727745791035248
Energy: 1.8078192697313327
Energy: 1.839276455727222
Energy: 1.8447457095109736
Energy: 1.786047205043469
Energy: 1.7488931887291443
Energy: 1.7948002468028823
Energy: 1.750128726785672
Energy: 1.8246906519992243
Energy: 1.847589395606132
Energy: 1.7948060851232073
Energy: 1.91998031947288
Energy: 1.7781773533980456
Energy: 1.8114341385883959
Energy: 1.7724497556230852
Energy: 1.785250504036269
Energy: 1.827345160490286
Energy: 1.8040454375559067
Energy: 1.7510370097248522
Energy: 1.7718084808374124
Energy: 1.8156056763407813
Energy: 1.774142400447049
Energy: 1.8439655109060784
Energy: 1.7857300522933204
Energy: 1.7479023218634202
Energy: 1.6973459738000167
Energy: 1.791567394998547
Energy: 1.982285386734787
Energy: 1.8830418837419007
Energy: 1.8149460081292048
Energy: 1.756499431360415
Energy: 1.7505019303441511
Energy: 1.7089577611412756
Energy: 1.7726735638568127
Energy: 1.819207008698259
Energy: 1.8443290227686757
Energy: 1.8687905789169386
Energy: 1.7635088421889218
Energy: 1.7606941579838529
Energy: 1.7034436910556934
Energy: 1.7728713000768725
Energy: 1.873252499482228
Energy: 1.7903327834202516
Energy: 1.845556114289261
Energy: 1.7873871476391072
Energy: 1.7511475721711178
Energy: 1.7029799540590231
Energy: 1.7938594523111144
Energy: 1.8514580582839124
Energy: 1.7405427461081808
Energy: 1.7727335892741467
Energy: 1.8872682145531254
Energy: 1.7982534060017452
Energy: 1.748575258742859
Energy: 1.76524285222981
Energy: 1.8073477574497359
Energy: 1.7918167760998904
Energy: 1.8143778302412803
Energy: 1.8471224278796832
Energy: 1.7984335255037713
Energy: 1.7996225899426277
Energy: 1.7536484961078478
Energy: 1.7453811612520782
Energy: 1.7274923768605586
Energy: 1.8062047216430737
Energy: 1.863101662624593
Energy: 1.941680918308261
Energy: 1.822086067728206
Energy: 1.7316654283915154
Energy: 1.7927690386655506
Energy: 1.7303115047702649
Energy: 1.8403509474804804
Energy: 1.9163901771733018
Energy: 1.7582096955386601
Energy: 1.8006444163312425
Energy: 1.7574342996506709
Energy: 1.7929119839011796
Energy: 1.7579039677753343
Energy: 1.797967363626826
Energy: 1.8428446727858023
Energy: 1.773160793160091
Energy: 1.8776474954600089
Energy: 1.7793170361004929
Energy: 1.8088549355821109
Energy: 1.773625149503429
Energy: 1.7972044947029087
Energy: 1.7525080237272772
Energy: 1.7953285134747965
Energy: 1.7671778369405111
Energy: 1.7445549380100986
Energy: 1.8759760070054365
Energy: 1.7247471939916879
Energy: 1.7980963822435247
Energy: 1.7535736646719318
Energy: 1.7934486509755405
Energy: 1.7534063667019286
Energy: 1.7705402562141102
Energy: 2.12152580559159
Energy: 1.8825608156570504
Energy: 1.814651237540224
Energy: 1.7731656153957036
Energy: 1.793354298748495
Energy: 1.7026966144765547
Energy: 1.9131603479635748
Energy: 1.845024210772766
Energy: 1.7025666997179254
Energy: 1.9210829255162416
Energy: 1.771318828979898
Energy: 1.7910855096542289
Energy: 1.7021666669221134
Energy: 1.7862712254744952
Energy: 1.8350701888309737
Energy: 1.7878391245537308
Energy: 1.8327104592470693
Energy: 1.7534118784624573
Energy: 1.7921324439102153
Energy: 1.7075198128665754
Energy: 1.8686384617009495
Energy: 1.902076592320318
Energy: 1.7423260570747443
Energy: 1.805369734663188
Energy: 1.8433223914960177
Energy: 1.7520916791861512
Energy: 1.7873836903726743
Energy: 1.7643297034936667
Energy: 1.8332210815290684
Energy: 1.7471359557152062
Energy: 1.7716498135423575
Energy: 1.8050254257916778
Energy: 1.7604409827629204
Energy: 1.7852995014688644
Energy: 1.7446431311152792
Energy: 1.82228083059526
Energy: 1.7495001004526831
Energy: 1.7880824818515257
Energy: 1.7807349693505925
Energy: 1.9276103277519612
Energy: 1.8198257007182406
Energy: 1.7347041189017218
Energy: 1.8561396183829195

minimum gb energy = 1.6908551423731837 eV
minimum distance =  2.29441165084232 Angstroms
sigma value = 311


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

Energy: 1.8125072408076437
Energy: 1.8120216996650256
Energy: 1.9562969242852353
Energy: 1.8255703437805542
Energy: 1.8594636719634043
Energy: 1.8325661935861297
Energy: 1.8410477956465185
Energy: 1.8203568916357131
Energy: 1.794894220167692
Energy: 1.8102487928681028
Energy: 1.811335391820927
Energy: 1.9227467071041051
Energy: 1.7964548742836388
Energy: 1.77908010805116
Energy: 1.8476646757221047
Energy: 1.841435589533213
Energy: 1.8169487469713248
Energy: 1.866465054532724
Energy: 1.7816673420795963
Energy: 1.8226662853014752
Energy: 1.8044701740265294
Energy: 1.8272859113919822
Energy: 1.8938444283125753
Energy: 1.871045938774299
Energy: 1.9640106199359453
Energy: 1.8407279524279738
Energy: 1.8213310641235463
Energy: 1.857648738204381
Energy: 1.7915009753021574
Energy: 1.8377887671023057
Energy: 1.7856505536361602
Energy: 1.764903056244985
Energy: 1.8169537881578397
Energy: 1.8144859518357717
Energy: 1.8115796303375193
Energy: 1.7858518715530955
Energy: 1.825757989520032
Energy: 1.7746806606003591
Energy: 1.7700153124222024
Energy: 1.7787676026382218
Energy: 1.786262891573402
Energy: 1.7871333619592162
Energy: 1.8210785254015038
Energy: 1.8962266494032851
Energy: 1.7965485067465095
Energy: 1.8268332893413184
Energy: 1.7674618079748032
Energy: 1.8787581810919987
Energy: 1.8746323050392661
Energy: 1.8135095562279646
Energy: 1.812840384253508
Energy: 1.8884489658566568
Energy: 1.7593880970382163
Energy: 1.8800824923188768
Energy: 1.795771135230407
Energy: 1.916778274822892
Energy: 1.857994577833664
Energy: 1.8913050946820076
Energy: 1.784809281024101
Energy: 1.793265518750951
Energy: 1.8091743889047864
Energy: 1.8410547855943882
Energy: 1.8346782394696357
Energy: 1.8281491031883024
Energy: 1.9188957762784429
Energy: 1.8263830953409015
Energy: 1.8557068382093214
Energy: 1.8360118836582162
Energy: 1.861419405531593
Energy: 1.8552720051146288
Energy: 1.815304032358105
Energy: 1.830652071582471
Energy: 1.8053398102653702
Energy: 1.7934274220738156
Energy: 1.7860850707116716
Energy: 1.762444481952506
Energy: 1.7977511880525778
Energy: 1.787440810890307
Energy: 1.8159507970078836
Energy: 1.7695668589171234
Energy: 1.7657417299544473
Energy: 1.792077711062228
Energy: 1.783335965503599
Energy: 1.7920137582276825
Energy: 1.8751025807903932
Energy: 1.8356195907718085
Energy: 1.8595307604663658
Energy: 1.8495070578153714
Energy: 1.7985883259361537
Energy: 1.8930767353600295
Energy: 1.8464590296722703
Energy: 1.817135888869886
Energy: 1.8106526539891339
Energy: 1.7952921352002862
Energy: 1.7931795306082168
Energy: 1.9657982348314276
Energy: 1.8287959439098995
Energy: 1.9092786658044323
Energy: 1.8778243879130772
Energy: 1.8344019145087376
Energy: 1.8191041119134497
Energy: 1.8678515735316557
Energy: 1.7847443483907972
Energy: 1.7742818768840336
Energy: 1.868225481743884
Energy: 1.8696827471728366
Energy: 1.7654112866094736
Energy: 1.8296151144440371
Energy: 1.85329002413829
Energy: 1.8318015361283944
Energy: 1.8433960438448533
Energy: 1.783682395420793
Energy: 1.7727275166562206
Energy: 1.7852585438247572
Energy: 1.8143547230711996
Energy: 1.8398868478861918
Energy: 1.8046662790322479
Energy: 1.7914930633964234
Energy: 1.834044326023856
Energy: 1.7815080799933307
Energy: 1.8145909023506674
Energy: 1.8198959635658456
Energy: 1.7662588103998393
Energy: 1.825936087890256
Energy: 1.7840354029828063
Energy: 1.8060941403369553
Energy: 1.7958454609556156
Energy: 1.8516708756386848
Energy: 1.9563462864276837
Energy: 1.829559789301592
Energy: 1.8264106882849016
Energy: 1.8372183575185892
Energy: 1.8434940806472842
Energy: 1.8326062303203887
Energy: 1.8360528096856497
Energy: 1.8241726737622528
Energy: 1.8721321260965809
Energy: 1.9356067520624936
Energy: 1.886906466356422
Energy: 1.930821440958135
Energy: 1.8943539173952895
Energy: 1.8262421123562607
Energy: 1.832606490467836
Energy: 1.825311503895957
Energy: 1.778821945035497
Energy: 1.8458339184053754
Energy: 1.850473818157549
Energy: 1.8341116506254653
Energy: 1.8138647315524787
Energy: 1.8032122123806416
Energy: 1.7842726248321858
Energy: 1.8377419824118646
Energy: 1.792462545680739
Energy: 1.7808099177291041
Energy: 1.7999545795049574
Energy: 1.8540275787484528
Energy: 1.8119407958929115
Energy: 1.807884256899242
Energy: 1.812673184067353
Energy: 1.8181116675667057
Energy: 1.8146786197514233
Energy: 1.847167842699261
Energy: 1.7773174435445023
Energy: 1.7793240278620481
Energy: 1.7666460404519864
Energy: 1.8000755785427172
Energy: 1.764888262769405
Energy: 1.80000476604442
Energy: 1.8379577575086954
Energy: 1.863347711237227
Energy: 1.7962184475979857
Energy: 1.8235816655127435
Energy: 1.7932886983586949
Energy: 1.879315416303902
Energy: 1.8589792871088429
Energy: 1.7944484491529586
Energy: 1.869463120403324
Energy: 1.8654247807942077
Energy: 1.8116813479842138
Energy: 1.9656653258761614
Energy: 1.8261876145763019
Energy: 1.9501477017360358
Energy: 1.8504615085626412
Energy: 1.857118459617863
Energy: 1.840784883295204
Energy: 1.816563015042023
Energy: 1.837081366735119
Energy: 1.8177223146107169
Energy: 1.870633484799983
Energy: 1.8354331456660031
Energy: 1.818537312669335
Energy: 1.8301920311946738
Energy: 1.7679100907333287
Energy: 1.830094063180075
Energy: 1.7992513189923807
Energy: 1.828346610036652
Energy: 1.8120657526694604
Energy: 1.8071148513341837
Energy: 1.7993112865478538
Energy: 1.7923163163554996
Energy: 1.8107994868359525
Energy: 1.7654635577839215
Energy: 1.8194105322564003
Energy: 1.8564088433930497
Energy: 1.8354542698597256
Energy: 1.9049438472601032
Energy: 1.8109133973649894
Energy: 1.7990166945063628
Energy: 1.8367419440605601
Energy: 1.8605321568452111
Energy: 1.8734071096928333
Energy: 1.8297998457126552
Energy: 1.820790540579802
Energy: 1.848690779329697
Energy: 1.796843786832986
Energy: 1.8098496214822228
Energy: 1.8483650968054703
Energy: 1.8218154461166414
Energy: 1.8429639430326503
Energy: 1.7953577510262748
Energy: 1.8573353272832205
Energy: 2.0223993762450023
Energy: 1.7601164719445332
Energy: 1.8936763229877893
Energy: 1.8918355811431322
Energy: 1.8258816096503405
Energy: 1.8095221280309406
Energy: 1.8544935924242554
Energy: 1.8030831306218775
Energy: 1.830021908727051
Energy: 1.826876311613332
Energy: 1.810285128528278
Energy: 1.8362491202184466
Energy: 1.872109836325722
Energy: 1.7824495028137823
Energy: 1.803006932327583
Energy: 1.8416352449269286
Energy: 1.8129108219252974
Energy: 1.831887634422409
Energy: 1.7865663961987135
Energy: 1.8115731907913308
Energy: 1.8154529726756055
Energy: 1.8010086099339122
Energy: 1.813186870867568
Energy: 1.8153629870692527
Energy: 1.824293123998545
Energy: 1.8916885413892865
Energy: 1.7404892944970514
Energy: 1.8015460741803215
Energy: 1.8177698471199752
Energy: 1.833109804786031
Energy: 1.865280526547401

minimum gb energy = 1.7404892944970514 eV
minimum distance =  2.28859760045597 Angstroms
sigma value = 39


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

Energy: 1.6995421426589292
Energy: 1.6787746423295729
Energy: 2.4687152128578203
Energy: 2.0963031280310163
Energy: 1.7815886073329403
Energy: 1.8981695549218913
Energy: 1.6788737099562945
Energy: 1.6772047902930267
Energy: 1.8244307578199066
Energy: 1.7205110731160422
Energy: 1.8153318384621686
Energy: 1.8236709159214157
Energy: 1.7908094308859712
Energy: 1.7947938246531179
Energy: 1.789316583576074
Energy: 1.6431242259165988
Energy: 1.7197436495248035
Energy: 1.942927884186584
Energy: 1.8095225726465118
Energy: 1.7897294413174962
Energy: 1.787674582177436
Energy: 1.7868554196274622
Energy: 1.6433860316666091
Energy: 1.724194301832433
Energy: 1.6406841566206118
Energy: 1.9053450707084534
Energy: 1.723206799457587
Energy: 1.9844973149181375
Energy: 1.8242929080795995
Energy: 1.8216059737383268
Energy: 1.9493232166819772
Energy: 1.7230857628438379
Energy: 1.9207414133610592
Energy: 1.7416161538156156
Energy: 1.7887621202161794
Energy: 1.6773178419756607
Energy: 1.819212105486215
Energy: 1.7215442791361237
Energy: 1.6418895159163633
Energy: 1.809046732092887
Energy: 1.7878081838632016
Energy: 1.79429795956046
Energy: 1.7879563463666326
Energy: 1.7712156878412197
Energy: 1.7204736353636902
Energy: 1.8282160185701917
Energy: 1.6795622635004888
Energy: 1.6802856851471886
Energy: 1.793595419655349
Energy: 1.6785941490600838
Energy: 1.819893565104957
Energy: 1.9107301155722491
Energy: 1.6433466279825444
Energy: 1.9095183571866983
Energy: 1.721231224346911
Energy: 1.835004336865733
Energy: 1.6783395867249917
Energy: 1.819982736424819
Energy: 1.9055940647687515
Energy: 1.641229544601116
Energy: 1.8187010900644378
Energy: 1.741044991252076
Energy: 1.8352537767473573
Energy: 1.7867892465224486
Energy: 1.641236873268803
Energy: 1.7212986485701247
Energy: 1.8168704920769239
Energy: 1.809341643042941
Energy: 1.7874640781876914
Energy: 1.787939767884044
Energy: 1.7855469807715656
Energy: 1.7579436029829498
Energy: 1.7217586830507736
Energy: 1.641170473989275
Energy: 1.8249363376482688
Energy: 1.7947263048888435
Energy: 1.8827798127703848
Energy: 1.827526705428156
Energy: 1.6978379694804966
Energy: 1.7584054061314462
Energy: 1.6410111005294894
Energy: 1.8153504819748243
Energy: 1.740565218663992
Energy: 1.7951106237280334
Energy: 1.6804711192148887
Energy: 1.6989599246334617
Energy: 1.9105737494180681
Energy: 1.7241395666512593
Energy: 1.9049155638633386
Energy: 1.6573257457391126
Energy: 1.7881872784367752
Energy: 1.7863817212224353
Energy: 1.6423445143507607
Energy: 1.7203401907360956
Energy: 1.8551268760097013
Energy: 1.6793522084840837
Energy: 1.6799148916173265
Energy: 1.794319842146487
Energy: 1.6771862635378383
Energy: 1.758543399535073
Energy: 1.7197015032869478
Energy: 1.8340831512191786
Energy: 1.6781518837563352
Energy: 1.6785269863022534
Energy: 1.7948426828859663
Energy: 1.6781150140718442
Energy: 1.874760156205046
Energy: 1.8283673560509714
Energy: 1.7205245571446777
Energy: 1.796975334530181
Energy: 1.8982673620035062
Energy: 1.6783305410901943
Energy: 1.7959611891621399
Energy: 1.8241552280595534
Energy: 1.721604522112304
Energy: 1.8155812698034721
Energy: 1.8205679169055582
Energy: 1.7903879737755122
Energy: 1.7947567413725674
Energy: 1.790486258774477
Energy: 1.6459027279201313
Energy: 1.72082947665036
Energy: 1.944079114600365
Energy: 1.810277319693828
Energy: 1.7895503650928142
Energy: 1.8727405360713587
Energy: 1.7866532031289903
Energy: 1.6431345856222925
Energy: 1.724013380233629
Energy: 1.6407092606197131
Energy: 1.9059844143666957
Energy: 1.7227205562866865
Energy: 1.9848511249531122
Energy: 1.8239573911719413
Energy: 1.8213276860311738
Energy: 1.9494400474195823
Energy: 1.7231986087705307
Energy: 1.9127910385968006
Energy: 1.7206497378641858
Energy: 1.788558550193624
Energy: 1.6772837829641492
Energy: 1.8197389011711702
Energy: 1.7213788293941938
Energy: 1.6403335913708221
Energy: 1.808857140662757
Energy: 1.6784188556919344
Energy: 1.8173310534479965
Energy: 1.7878635847536095
Energy: 1.7618590466739432
Energy: 1.7203949983894289
Energy: 1.8274645250092256
Energy: 1.679601519044712
Energy: 1.6802287415894535
Energy: 1.7935603344039726
Energy: 1.680296796775551
Energy: 1.8195870688556097
Energy: 1.9107405814592993
Energy: 1.6409580089646305
Energy: 1.908720154303896
Energy: 1.7197764500879693
Energy: 1.8343684339312292
Energy: 1.6777299726412644
Energy: 1.8193881049574097
Energy: 1.90522408069064
Energy: 1.6429409185854185
Energy: 1.8189135586851495
Energy: 1.7258188121384683
Energy: 1.7948327041729846
Energy: 1.787037413632938
Energy: 1.758290375456071
Energy: 1.72143671023797
Energy: 1.8171855798021672
Energy: 1.8092322913537255
Energy: 1.7876024162661965
Energy: 1.7876368565466112
Energy: 1.786781842868509
Energy: 1.7565152230540777
Energy: 1.7217768512950964
Energy: 1.6431715378175127
Energy: 1.8241052875459012
Energy: 1.7208131964728428
Energy: 1.881439323619846
Energy: 1.8262226164107047
Energy: 1.8218585326039294
Energy: 1.7581909660368893
Energy: 1.6418949324733456
Energy: 1.8156525481846524
Energy: 1.7238411892413257
Energy: 1.795211256002962
Energy: 1.6803851333440478
Energy: 1.6988788261214267
Energy: 1.9111686193069495
Energy: 1.7258012380166652
Energy: 1.8314425194535948
Energy: 1.742068580042691
Energy: 1.7879483274986705
Energy: 1.7854391326509886
Energy: 1.6430260544430468
Energy: 1.7202348470304978
Energy: 1.8544168969616868
Energy: 1.6794291606309788
Energy: 1.6792746511160281
Energy: 1.793640632094725
Energy: 1.6772724205599165
Energy: 1.759175401880705
Energy: 1.7199692374279258
Energy: 1.6406431633954444
Energy: 1.678063542219863
Energy: 1.6781879725039577
Energy: 1.7949929454513935

minimum gb energy = 1.6403335913708221 eV
minimum distance =  2.32810501737049 Angstroms
sigma value = 21


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

Energy: 2.1612346010775814
Energy: 2.017134662940093
Energy: 1.6416368266806576
Energy: 1.7603647417679442
Energy: 1.747724848509724
Energy: 1.7482842040597606
Energy: 2.077473830323234
Energy: 1.8181333962179966
Energy: 1.8079629700693243
Energy: 1.9235269801547292
Energy: 1.698073156366454
Energy: 1.6262182343639604
Energy: 1.9088506886628986
Energy: 1.7525361487570186
Energy: 1.8766596583197366
Energy: 1.7410784412154405
Energy: 1.760231340061688
Energy: 1.806260635917943
Energy: 1.7277756383869043
Energy: 1.7415511561600607
Energy: 1.756194095180853
Energy: 2.086203201158747
Energy: 1.7410650847592957
Energy: 1.7997539934656586
Energy: 1.8019757294283287
Energy: 1.806957085123693
Energy: 1.7474668822842965
Energy: 1.912356556894406
Energy: 1.710917616609719
Energy: 1.7019111256355244
Energy: 1.7933729442452755
Energy: 1.6664106712067455
Energy: 1.5950423292374516
Energy: 1.7636197304665966
Energy: 1.7242998542741832
Energy: 1.6658562128355021
Energy: 1.6243061719563838
Energy: 1.8399958390108813
Energy: 1.7331447069893002
Energy: 1.5871863795124619
Energy: 1.7435336254473777
Energy: 1.7227339040116798
Energy: 1.9915247391735953
Energy: 1.6570681012303505
Energy: 1.748818046207109
Energy: 1.753952599894825
Energy: 1.6652834345494307
Energy: 1.6653500497917986
Energy: 1.720974980787067
Energy: 1.7486181964696421
Energy: 1.6694816082122623
Energy: 1.7646501151539833
Energy: 1.7943212640239872
Energy: 1.7515079345576172
Energy: 1.7114914439392348
Energy: 1.7296242669365072
Energy: 1.7842900157152042
Energy: 1.6857967269688772
Energy: 1.8084794485035816
Energy: 1.838752772240097
Energy: 1.7322367552065217
Energy: 1.9380579695974458
Energy: 1.7468283051412021
Energy: 2.1223193773663303
Energy: 1.8211203475978286
Energy: 1.6511176076650476
Energy: 1.7676104060092517
Energy: 1.7480143539260857
Energy: 1.7507811676140956
Energy: 1.7105461107021374
Energy: 1.8234663615404172
Energy: 1.7588809014343072
Energy: 1.7814699654007047
Energy: 1.8317565371551332
Energy: 1.665166436872191
Energy: 1.6652960751997374
Energy: 1.7663044378850106
Energy: 1.751263605992644
Energy: 1.8020578963439293
Energy: 1.9543123718939193
Energy: 1.833239652209328
Energy: 1.8549183804178153
Energy: 2.0150011904464225
Energy: 2.0413637353717697
Energy: 2.014664903473006
Energy: 1.7454926538500446
Energy: 1.7204369503130457
Energy: 1.9551882498095787
Energy: 1.6844743793128933
Energy: 1.7538994549443536
Energy: 1.6653360621670115
Energy: 1.6643034922745092
Energy: 1.74252634100303
Energy: 1.783487190852643
Energy: 1.8148139234661471
Energy: 1.6838248179987279
Energy: 1.7556878859887393
Energy: 1.7467793576308805
Energy: 1.748534039433802
Energy: 1.8030472298485611
Energy: 1.7719976840961138
Energy: 1.6848512904502695
Energy: 1.8231679455425234
Energy: 1.9034559257747996
Energy: 1.6995595012969473
Energy: 1.7925978143326076
Energy: 1.5963404632361031
Energy: 1.7535041394326558
Energy: 1.7496940473460199
Energy: 1.7534155337380473
Energy: 1.741611941619317
Energy: 1.753892188994572
Energy: 1.7112713808174829
Energy: 1.8022356722804294
Energy: 1.7590268729398943
Energy: 1.665877817856102
Energy: 1.5333685216771993
Energy: 1.7227445936760253
Energy: 1.7469786284211242
Energy: 1.667637371886792
Energy: 1.6101603313485076
Energy: 1.780410829468399
Energy: 1.6681935036987776
Energy: 1.7436583705905566
Energy: 1.72451796051726
Energy: 1.7098588003608077
Energy: 2.0145725601616404
Energy: 1.587935696872411
Energy: 1.7990344979403958
Energy: 1.6537490363948673
Energy: 1.666098839339428
Energy: 1.66559323151618
Energy: 1.7246055771386006
Energy: 1.7114782592285032
Energy: 1.6672713643600487
Energy: 1.7418557646134976
Energy: 1.7941761830819407
Energy: 1.7119385266633362
Energy: 1.7116716389347446
Energy: 1.7479223673046616
Energy: 1.7485147233259384
Energy: 1.6103880275706253
Energy: 1.837013548992497
Energy: 1.8104826838542705
Energy: 1.741403741172676
Energy: 1.9469708298061719
Energy: 1.7869774382247592
Energy: 1.8869548590367886
Energy: 1.686476694501528
Energy: 1.7694201860274759
Energy: 1.7913054890231879
Energy: 1.6213617535108675
Energy: 1.7229518384379183
Energy: 1.7216803615688807
Energy: 1.6101737698694774
Energy: 1.6714380819919856
Energy: 1.7178135931845862
Energy: 1.760345108315765
Energy: 1.7687921550871797
Energy: 1.753543940505269
Energy: 1.7119248333051045
Energy: 1.7481658422719626
Energy: 1.8038621144463913
Energy: 1.6404424176492192
Energy: 1.760055651831072
Energy: 2.015465332149077
Energy: 2.0155954407630454
Energy: 1.7280958652197798
Energy: 1.6641692974005151
Energy: 1.8071236864569964
Energy: 1.710513877058176
Energy: 1.8198094911307086
Energy: 1.805673821167989
Energy: 1.7533816746144761
Energy: 1.7663122970001217

minimum gb energy = 1.5333685216771993 eV
minimum distance =  2.30421185804674 Angstroms
sigma value = 113


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

Energy: 2.0967253786491513
Energy: 1.941135197055239
Energy: 1.6388948119514053
Energy: 1.6229043536464767
Energy: 1.7128765840780669
Energy: 1.7201848891648142
Energy: 1.8906912057847611
Energy: 1.8125472441413024
Energy: 1.8004706305717024
Energy: 1.6403783651946462
Energy: 1.7044560440396068
Energy: 1.605840819337871
Energy: 1.6719945729619452
Energy: 1.6237678039124277
Energy: 1.9183458261973214
Energy: 1.8574996774181924
Energy: 1.8484260027003165
Energy: 1.6760918182758486
Energy: 1.6034717113773709
Energy: 1.7739628865141737
Energy: 1.6807896722834326
Energy: 1.7077044143310167
Energy: 1.7747711662715415
Energy: 1.6260028496787506
Energy: 1.6442148862537214
Energy: 1.6296822612396973
Energy: 1.620894763091566
Energy: 1.8236132849671631
Energy: 1.599294182114174
Energy: 1.6681722785403084
Energy: 1.6299686740597035
Energy: 1.6855556573465893
Energy: 1.7357945801879173
Energy: 1.641894869989741
Energy: 1.9092725913411701
Energy: 1.8118238925007246
Energy: 1.7705250147097782
Energy: 1.759166482143218
Energy: 1.6167455448599943
Energy: 1.752656201447926
Energy: 1.8355422170151634
Energy: 1.6836486930393209
Energy: 1.7993570726621586
Energy: 1.6723736254413062
Energy: 1.8630181806342105
Energy: 1.6890160735851936
Energy: 1.6004422206001918
Energy: 1.679398456272918
Energy: 1.8079111948397384
Energy: 1.6357497296565788
Energy: 1.6870273331143157
Energy: 1.6288217419168776
Energy: 1.6046371886705562
Energy: 1.8030704989884527
Energy: 1.6271507713362543
Energy: 1.5815006745711626
Energy: 1.626655474843429
Energy: 1.7104659869919718
Energy: 1.8722233271152535
Energy: 1.6309311190334936
Energy: 1.652853250853828
Energy: 1.821982212413443
Energy: 1.6884886548647673
Energy: 1.8326007992447717
Energy: 1.7323548182269057
Energy: 1.811177248248729
Energy: 1.6424069708576834
Energy: 1.6998596997168596
Energy: 1.705815596113604
Energy: 1.6189884467373452
Energy: 1.83833073635341
Energy: 1.6384070641324062
Energy: 1.7549058779604638
Energy: 1.6562610794028012
Energy: 1.7245406186282866
Energy: 1.7644684132731947
Energy: 1.624128698182514
Energy: 1.7418212066449772
Energy: 1.6474343087372785
Energy: 1.9563924067211889
Energy: 1.6588839321265993
Energy: 1.8451903171342823
Energy: 2.067100148586995
Energy: 1.6531813841649918
Energy: 1.722419899706496
Energy: 1.6703643983979175
Energy: 1.7492164871735345
Energy: 1.646435415665122
Energy: 1.677962773536283
Energy: 1.6132471216700954
Energy: 1.6654837927499169
Energy: 1.843443714067483
Energy: 1.6923695909803917
Energy: 1.7319020148025417
Energy: 1.7233872714081788
Energy: 1.6558990952272339
Energy: 1.7289593392397362
Energy: 1.5979790503662672
Energy: 1.7107411629773304
Energy: 1.6376080627001117
Energy: 1.8781946459325203
Energy: 1.7541103683343058
Energy: 1.6016939344555878
Energy: 1.7494793704305531
Energy: 1.6249421134536135
Energy: 1.602853637187171
Energy: 1.6145571133071286
Energy: 1.602306126280479
Energy: 1.7920501243097822
Energy: 1.640819715795774
Energy: 1.6439559654496214
Energy: 1.8187173548782327
Energy: 1.6244547603588928
Energy: 1.8143422548560657
Energy: 1.7676979673584463
Energy: 1.671538705720973
Energy: 1.6113496812645067
Energy: 1.6097597231446583
Energy: 1.8898766023835993
Energy: 1.8246397454598509
Energy: 1.8929518997140928
Energy: 1.7759225775052485
Energy: 1.6159775367958096
Energy: 1.8078015335520314
Energy: 1.720952815833618
Energy: 1.7047124868077588
Energy: 1.7129057899820284
Energy: 1.845257541227091
Energy: 1.8072392849497831
Energy: 1.599481381872949
Energy: 1.6864308566039148
Energy: 1.6440500180099105
Energy: 1.7598430747261786
Energy: 1.7240876522148663
Energy: 1.5974378320632396
Energy: 1.7575345830426203
Energy: 1.6318091476754997
Energy: 1.7820005643790264
Energy: 1.731333316120556
Energy: 1.6200356973472034
Energy: 1.9124789912047555
Energy: 1.656154361949507
Energy: 1.6467494316395273
Energy: 1.6129840517353755
Energy: 1.6058247398567034
Energy: 1.5978962627601456
Energy: 1.622513891497126
Energy: 1.8429349653563474
Energy: 1.6537799211230475
Energy: 1.79615729959107
Energy: 1.6813353980701535
Energy: 1.6072001143866954
Energy: 1.6007882253239278
Energy: 1.623865964920256
Energy: 1.5921982981071634
Energy: 1.6996406328547615
Energy: 1.7887802291444082
Energy: 1.874130402229513
Energy: 1.843295567703424
Energy: 1.9950890257306684
Energy: 1.7559036054163364
Energy: 1.8124763891992532
Energy: 1.6955291679722173
Energy: 1.627383798459808
Energy: 1.7913241893524827
Energy: 1.6053396329792886
Energy: 1.616855207251696
Energy: 1.6267419393254945
Energy: 1.729248286124405
Energy: 1.8502121614810378
Energy: 1.764233954560551
Energy: 1.612520191537947
Energy: 1.6319707018100122
Energy: 1.7211043092755014
Energy: 1.6805074339496555
Energy: 1.6273688347648283
Energy: 1.6322449264572263
Energy: 1.6255162281837052
Energy: 1.7150018294103921
Energy: 1.6486397166392164
Energy: 1.629950515320461
Energy: 1.809965908479795
Energy: 1.6295542852932337
Energy: 1.6807629160683286
Energy: 1.6286874875990496
Energy: 1.6850316215821213
Energy: 1.634978410399809
Energy: 1.6514494239025796
Energy: 1.909946539713934
Energy: 1.8140578540641346
Energy: 1.770906048413249
Energy: 1.887533377101628
Energy: 1.6198418399274543
Energy: 1.7213732598195313
Energy: 1.7042657903684912
Energy: 1.6026013126235812
Energy: 1.7591494149646751
Energy: 1.6760153957232597
Energy: 1.7365635409792208
Energy: 1.6759083074327978
Energy: 1.6025296264067683
Energy: 1.6811257503958843
Energy: 1.8071191497743286
Energy: 1.635815274495274
Energy: 1.6867496267227913
Energy: 1.6603936092209721
Energy: 1.65158972965548
Energy: 1.666568304777595
Energy: 1.6147260599646576
Energy: 1.7870737084473187
Energy: 1.6267425089361773
Energy: 1.7648957997678778
Energy: 1.8703935439387058
Energy: 1.7150544433973134
Energy: 1.7458513255409187
Energy: 1.9576987439102298
Energy: 1.686904566308783
Energy: 1.7388925753553883
Energy: 1.7461737829543338
Energy: 1.8232577169831854
Energy: 1.641432714797305
Energy: 1.6987616929601175
Energy: 1.7882189842079528
Energy: 1.6079175102275602
Energy: 1.8362468834394685
Energy: 1.636109384289345
Energy: 1.7526338791112024
Energy: 1.647965579398867
Energy: 1.710328985688804
Energy: 1.7671465179457615
Energy: 1.6555949290225596
Energy: 1.7416088406569146
Energy: 1.6492869567598236
Energy: 1.9556730118639623
Energy: 1.7377311456752793
Energy: 1.7284359499164468
Energy: 1.8527602469973634
Energy: 1.6466330776458211
Energy: 1.7260662103563884
Energy: 1.667366078404717
Energy: 1.6603326973531851
Energy: 1.6471468236166353
Energy: 1.6776032785191706
Energy: 1.6883458778604812
Energy: 1.639311445267358
Energy: 1.96054676204763
Energy: 1.7086707601051645
Energy: 1.730973845232907
Energy: 1.684311401525281
Energy: 1.649074257243584
Energy: 1.7286021049415683
Energy: 1.744378255110943
Energy: 1.7689609494319238
Energy: 1.7271563846574598
Energy: 1.8698967458578952
Energy: 1.62879411323367
Energy: 1.6187914299993529
Energy: 1.8712535909863384
Energy: 1.6147414396689708
Energy: 1.5981794255267754
Energy: 1.6790679049358679
Energy: 1.5962294976813591
Energy: 1.7296883076545657
Energy: 1.642934357904138
Energy: 1.6521964451507456
Energy: 1.8164184046231064
Energy: 1.6423885881263063
Energy: 1.7244310227154056
Energy: 1.7630256150555144
Energy: 1.607974764340127
Energy: 1.6168908963213724
Energy: 1.7255452460152567
Energy: 1.8850242522999892
Energy: 1.7237861569524815
Energy: 1.8367042957366164
Energy: 1.882670083872577
Energy: 1.616598530422365
Energy: 1.7396311067992218
Energy: 1.721948806923867
Energy: 1.7099180582585292
Energy: 1.709792119081445
Energy: 1.6970760885260059
Energy: 1.7148459770985092
Energy: 1.7783249423947478
Energy: 1.6866978698055146
Energy: 1.6935936895398538
Energy: 1.7590859600475235
Energy: 1.722914818765057
Energy: 1.7560283789574278
Energy: 1.782910906165046
Energy: 1.8487304237749425
Energy: 1.7011343097678262
Energy: 1.6081161796097814
Energy: 1.6205634108324705
Energy: 1.8997068466124805
Energy: 1.6560003939325088
Energy: 1.6433021000114323
Energy: 1.6921126313269965
Energy: 1.6073989262663801
Energy: 1.6007145977165897
Energy: 1.624336677029056
Energy: 1.9145272984513253
Energy: 1.6551109975745995
Energy: 1.7330071938242908
Energy: 1.6153014364677083
Energy: 1.6057553018849964
Energy: 1.5978985195450102
Energy: 1.6227196474155545
Energy: 1.5926390278769915
Energy: 1.634548389091459
Energy: 1.7886531226485536
Energy: 1.5947568119104554
Energy: 1.7605298055773135
Energy: 1.6192630326110324
Energy: 1.6097071663550166

minimum gb energy = 1.5815006745711626 eV
minimum distance =  2.29492382783633 Angstroms
sigma value = 365


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

Energy: 1.6978219740081497
Energy: 1.4694549424892163
Energy: 1.4700955708327876
Energy: 1.4693400888912445
Energy: 1.4695867602025297
Energy: 1.4704897839036386
Energy: 1.4693980905331407
Energy: 1.6472636242080363
Energy: 1.7745347292192792
Energy: 1.4671847178597905
Energy: 1.4673976515290588
Energy: 1.4677840287544273
Energy: 1.4668021420306274
Energy: 1.7746686650099466
Energy: 1.7004907166116074
Energy: 1.7733822291829768
Energy: 1.4673452201693207
Energy: 1.4666063790069546
Energy: 1.4666435787248617
Energy: 1.4671671765541185
Energy: 1.4683732986068183
Energy: 1.7016887634681934
Energy: 1.7741078609741072
Energy: 1.4673137209386578
Energy: 1.4671751379276423
Energy: 1.4708842979621612
Energy: 1.466949316936548
Energy: 1.4676600010277674
Energy: 1.492567730751571
Energy: 1.7724490304549625
Energy: 1.490278889812474
Energy: 1.7867957483568808
Energy: 1.4670398442598904
Energy: 1.4906309875399302
Energy: 1.7727254236374272
Energy: 1.6984373920666298
Energy: 1.773388383365645
Energy: 1.4679982126955635
Energy: 1.4701203268720688
Energy: 1.4695459989688315
Energy: 1.469961506311998
Energy: 1.469285634238289
Energy: 1.4671600916669711
Energy: 1.7737966161277352
Energy: 1.4673685436333879
Energy: 1.466784332906405
Energy: 1.4676986036414592
Energy: 1.4678523499371066
Energy: 1.7741265372888406
Energy: 1.4674862198244407
Energy: 1.7733701257656167
Energy: 1.4675492491283932
Energy: 1.4666012513049098
Energy: 1.4665297150140646
Energy: 1.467546225512287
Energy: 1.774084705331263
Energy: 1.699830910103139
Energy: 1.7732502607304579
Energy: 1.4679461427092404
Energy: 1.4694715171091248
Energy: 1.4700847572485
Energy: 1.4709229291652302
Energy: 1.4695204346234987
Energy: 1.8793948691096196
Energy: 1.7735407749884204
Energy: 1.4935987663952408
Energy: 1.7754584120766268
Energy: 1.7978493721034607
Energy: 1.488567094164182
Energy: 1.7736692617477579
Energy: 1.7009436582070796
Energy: 1.7739642871075276
Energy: 1.4673466494238698
Energy: 1.4702807401646574
Energy: 1.4704451601913449
Energy: 1.470527542070915
Energy: 1.4687343447131511
Energy: 1.7004771348667422
Energy: 1.773690871031131
Energy: 1.4676060576572179
Energy: 1.466388290506374
Energy: 1.4669478838663634
Energy: 1.4672510152855105
Energy: 1.7743844839038343
Energy: 1.4674536610221527
Energy: 1.7735742041165485
Energy: 1.4668922283866201
Energy: 1.4671904508862614
Energy: 1.4674058693643928
Energy: 1.4675494949485497
Energy: 1.7741678426573586
Energy: 1.6980922301439274
Energy: 1.7733635023827474
Energy: 1.4684863673510604
Energy: 1.4689960668513846
Energy: 1.469750009842447
Energy: 1.4699799741677182
Energy: 1.4692911780423559
Energy: 1.6475977068690262
Energy: 1.7725163983503434
Energy: 1.4911657798234015
Energy: 1.4677606421613043
Energy: 1.4674505226254542
Energy: 1.4679013349082257
Energy: 1.7726121714166296
Energy: 1.7027234190036116
Energy: 1.773090296760166
Energy: 1.4673522907830934
Energy: 1.4667827815275392
Energy: 1.4678251096208772
Energy: 1.4667907334468278
Energy: 1.468475569568397
Energy: 1.703063050746544
Energy: 1.7738595762379448
Energy: 1.4671665498533457
Energy: 1.4669663531814499
Energy: 1.471325556961323
Energy: 1.4670401061465466
Energy: 1.467573007674775
Energy: 1.648123996453508
Energy: 1.7721689929138
Energy: 1.4676270321831395
Energy: 1.4678495154851459
Energy: 1.467927924698093
Energy: 1.4663676663763239
Energy: 1.7723029892599484
Energy: 1.6978622407296604
Energy: 1.773812395791778
Energy: 1.470215418378314
Energy: 1.4695227456430107
Energy: 1.4695093881147343
Energy: 1.4698789236558056
Energy: 1.4681857116231098
Energy: 1.4664646465045015
Energy: 1.7738421121763013
Energy: 1.4669788662519432
Energy: 1.4669439755495102
Energy: 1.467472097939364
Energy: 1.4674647855270408
Energy: 1.7740337301976823

minimum gb energy = 1.4663676663763239 eV
minimum distance =  2.41653089078323 Angstroms
sigma value = 23