Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
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=[0.0, 0.0, 3.1040890542442797e-19, 3.46794336782568e-19, 3.76416980568594e-19, 4.01135361677946e-19, 4.22090229874032e-19, 4.40042619058002e-19, 4.55529258402246e-19, 4.689410790054599e-19, 4.80582494428104e-19, 4.906858202821079e-19, 4.99441715586918e-19, 5.0700078494613e-19, 5.134928046670979e-19, 5.190219162310319e-19, 5.236794437060699e-19, 5.27542291570644e-19, 5.30676149066748e-19, 5.3314029672984e-19, 5.34986004212208e-19, 5.362565302829699e-19, 5.369935315346099e-19, 5.372322558530759e-19, 5.3697750976827e-19, 5.36162001861564e-19, 5.346831928283819e-19, 5.32456167307122e-19, 5.2935435334369795e-19, 5.25223941981246e-19, 5.198902959666599e-19, 5.131435301608859e-19, 5.0473370500902e-19, 4.94356406950602e-19, 4.81643135359812e-19, 4.661436786024959e-19, 4.4730368356329e-19, 4.2443261211293992e-19, 3.9666368669245197e-19, 3.6290422283743798e-19, 3.21750713816514e-19, 2.71386291326724e-19, 2.0942851871331e-19, 1.3269371078685058e-19, 3.68664047836668e-20, -8.403592684759739e-20, -2.3858012256894e-19, -4.397029576115939e-19, -7.079073261431939e-19, -1.077646434501276e-18, -1.61142119317818e-18, -2.4349079395215e-18, -3.84078589232382e-18, -6.66917239138938e-18]
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: 0.011658602875072194
Energy: 0.013452216523134069
Energy: 0.06064316473395132
Energy: 0.060507163855980484
Energy: 0.013360018300628915
Energy: 0.012723130029121439
Energy: 0.06024547321250256
Energy: 0.49471069575239257
Energy: 0.06037577445564676
Energy: 0.012952197524536151
Energy: 0.01412259668874811
Energy: 0.25459710674144814
Energy: 0.0602602491324597
Energy: 0.6639911112128417
Energy: 0.06080503778574015
Energy: 0.06015087960754116
Energy: 0.2547677607271464
Energy: 0.060225486302472944
Energy: 0.6615571327470056
Energy: 0.06057985622012144
Energy: 0.06077196951505383
Energy: 0.013178311926243759
Energy: 0.012058043663856464
Energy: 0.06096544180436389
Energy: 0.4755303730302283
Energy: 0.06046324700139682
Energy: 0.012897766450327875
Energy: 0.012146012813525892
Energy: 0.060224857148657496
Energy: 0.49475891471904665
Energy: 0.060036883288720796
Energy: 0.01282792108958079
Energy: 0.012437976889401098
Energy: 0.2563496161184205
Energy: 0.0603068376827837
Energy: 0.6589446506999461
Energy: 0.012775271270186175
Energy: 0.012214760798558821
Energy: 0.25547780574209505
Energy: 0.060319037366361274
Energy: 0.6908714303000628
Energy: 0.0601620080848694
Energy: 0.06089443928552383
Energy: 0.01258368176967863
Energy: 0.01223216283499351
Energy: 0.6525348945883077
Energy: 0.0603062536788647
Energy: 0.060711628901264386
Energy: 0.01287666597804374
Energy: 0.25499639795458945
Energy: 0.061033285521847995
Energy: 0.461609315768786
Energy: 0.060655351413937415
Energy: 0.012494505368967289
Energy: 0.013419409549924082
Energy: 0.060924324529709056
Energy: 0.46972837928397343
Energy: 0.06090564467687974
Energy: 0.012897214512148767
Energy: 0.013825840592056035
Energy: 0.013926491804250669
Energy: 0.06086543314326668
Energy: 0.47915352651003834
Energy: 0.06100115594782364
Energy: 0.061010666999718674
Energy: 0.01379443407476802
Energy: 0.25454259859666256
Energy: 0.49352410732612884
Energy: 0.06162095819068501
Energy: 0.060815424815297565

minimum gb energy = 0.011658602875072194 eV
minimum distance =  2.82773410855112 Angstroms
sigma value = 3


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

Energy: 0.7397438821330338
Energy: 0.7872057786012359
Energy: 0.6169694538885064
Energy: 0.6169001242097797
Energy: 0.7535628789872912
Energy: 0.6914591234908998
Energy: 0.7350705213476013
Energy: 0.6154415711762995
Energy: 0.6126281475151785
Energy: 0.7625829215699271
Energy: 0.702653830256416
Energy: 0.8316608189278799
Energy: 0.6715128455587053
Energy: 0.6498139204415923
Energy: 0.649907644604547
Energy: 0.7034573090551608
Energy: 0.806726530640297
Energy: 0.6443428526727654
Energy: 0.6573337621847162
Energy: 0.7140335771756557
Energy: 0.6205437673177302
Energy: 0.7941651897179222
Energy: 0.949678666652156
Energy: 0.7027704571489521
Energy: 0.5711889254564767
Energy: 0.6253985491426253
Energy: 0.7970447345081084
Energy: 0.7296277510727507
Energy: 0.6525649021412441
Energy: 0.6167540127299104
Energy: 0.6711415719060541
Energy: 0.6448814980255531
Energy: 0.6500647387813557
Energy: 0.6690940505575668
Energy: 0.5703425990653068
Energy: 0.6798443112724626
Energy: 0.7828528436994867
Energy: 0.6556021772097069
Energy: 0.6846862888923085
Energy: 0.616016139449015
Energy: 0.7081268087863212
Energy: 0.6667324117595521
Energy: 0.7545456656944032
Energy: 0.8829833180222605
Energy: 0.656362476004673
Energy: 0.6624720940845469
Energy: 0.6696803591478969
Energy: 0.7555887479921406
Energy: 0.6260472117484357
Energy: 0.6588332506406731
Energy: 0.7185639407783164
Energy: 0.74151862344706
Energy: 0.675306928267526
Energy: 0.5719497478148643
Energy: 0.7365294473757404
Energy: 0.6548087514679222
Energy: 0.7431242838402514
Energy: 0.6646479858630745
Energy: 0.546908734477185
Energy: 0.7383735812564687
Energy: 0.6736505028485951
Energy: 0.7158704570797866
Energy: 0.6717647241975885
Energy: 0.6386521082740776
Energy: 0.6598386755613799
Energy: 0.6598349554168947
Energy: 0.7134765920261905
Energy: 0.6745717494846148
Energy: 0.6193198310215999
Energy: 0.7259190226208881
Energy: 0.631235588839156
Energy: 0.6752754367990851
Energy: 0.7892677200454066
Energy: 0.7898974347505905
Energy: 0.6875248239920896
Energy: 0.6338880237797109
Energy: 0.692014937575519
Energy: 0.6664790754900584
Energy: 0.7752070175143986
Energy: 0.6395666318626364
Energy: 0.7128399116501035
Energy: 0.6457235448112808
Energy: 0.6784230460792611
Energy: 0.7061129310257465
Energy: 0.705515443096751
Energy: 0.7101197648656278
Energy: 0.6300302740682607
Energy: 0.6590363695436373
Energy: 0.6891930619232916
Energy: 0.7069673125722111
Energy: 0.6723582490897362
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Energy: 0.7112855391593335
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Energy: 0.7211699366618979
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Energy: 0.7635149716365551
Energy: 0.7409553233088959
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Energy: 0.6301124244643528
Energy: 0.6577788493256287
Energy: 0.6831997656652313
Energy: 0.6866925021008384
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Energy: 0.6600534654862105
Energy: 0.6840802621108751
Energy: 0.6985731462307471
Energy: 0.7168086934776937
Energy: 0.6889465225077961
Energy: 0.7342794164965697
Energy: 0.6328226386672975
Energy: 0.6423019291435283
Energy: 0.7793438530454486
Energy: 0.6889824072466219
Energy: 0.7413994849878403
Energy: 0.6298502773591627
Energy: 0.6354102197496527
Energy: 0.775130295702118
Energy: 0.6854221279710838
Energy: 0.8003028434195453
Energy: 0.6728663342111967
Energy: 0.6617934825121344
Energy: 0.6705906947296107
Energy: 0.6698887416768236
Energy: 0.812370485761415
Energy: 0.6706287329642336
Energy: 0.6553663879564027
Energy: 0.6783956792070055
Energy: 0.568640783302942
Energy: 0.7996463398375391
Energy: 0.7164627858356876
Energy: 0.7078923000320668
Energy: 0.5792676664136898
Energy: 0.6694221608824515
Energy: 0.8201585490019416
Energy: 0.7219247912341762
Energy: 0.6915455097431469
Energy: 0.5804718132846697
Energy: 0.673014109540312
Energy: 0.7292820665720268
Energy: 0.5982759976089675
Energy: 0.6934355373224903
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Energy: 0.6839055915809109
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Energy: 0.5503105957953796
Energy: 0.6804448612031605
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Energy: 0.746099974255979
Energy: 0.6240784428438578
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Energy: 0.7023204688677608
Energy: 0.7318874322740814
Energy: 0.7489830131745414
Energy: 0.6446521699568177
Energy: 0.665853337576053
Energy: 0.7214861395730868
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Energy: 0.7303711036918824
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Energy: 0.7097067635696511
Energy: 0.6784264465807246
Energy: 0.7421441272217196
Energy: 0.728387982336789
Energy: 0.6112096176026613
Energy: 0.7394903805975843
Energy: 0.68543789148726
Energy: 0.7182519064675184
Energy: 0.6665202438773866
Energy: 0.650421530114417
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Energy: 0.7080820181422413
Energy: 0.7910622021264859
Energy: 0.6617186696624536
Energy: 0.6770177336002582
Energy: 0.6844681897641473
Energy: 0.6319649214598767
Energy: 0.6906933501308419
Energy: 0.7729412362598099
Energy: 0.6370687375244135
Energy: 0.7127504159106535
Energy: 0.6350897787230289
Energy: 0.6806259028936369
Energy: 0.7787004453411789
Energy: 0.636919252518569
Energy: 0.6837863284737137
Energy: 0.6565830092000056
Energy: 0.6388078823704302
Energy: 0.6623937952900194
Energy: 0.6887068133601295
Energy: 0.6784873600321387
Energy: 0.6585218685555632
Energy: 0.6571023198490904
Energy: 0.6712441641154244
Energy: 0.7710945220710579
Energy: 0.6989854560912346
Energy: 0.6614921819699509
Energy: 0.6371689560018962
Energy: 0.5489071625233962
Energy: 0.6883693430768175
Energy: 0.9071997082933859
Energy: 0.7157448485828092
Energy: 0.6464003116778032
Energy: 0.5753983863742236
Energy: 0.6926570972524251
Energy: 0.9254535166840075
Energy: 0.7065733714722485
Energy: 0.5421502504378812
Energy: 0.5961817176847639
Energy: 0.6708271549657095
Energy: 0.6706847767440275
Energy: 0.6772094185882117
Energy: 0.5824840802398107
Energy: 0.585134778307262
Energy: 0.7152277920011245
Energy: 0.6457901191014347
Energy: 0.7681683991722161
Energy: 0.7082894811723539
Energy: 0.6670027792084404
Energy: 0.6936921442725612
Energy: 0.6813296575890224
Energy: 0.7549768229625953
Energy: 0.6471522620129799
Energy: 0.6817299327052236
Energy: 0.6992896849174021
Energy: 0.7116370370979523
Energy: 0.68418326910989
Energy: 0.6105421708523947
Energy: 0.752133068872735
Energy: 0.7418081347273775
Energy: 0.7033706195865005
Energy: 0.6593438358198663
Energy: 0.8548212290072948
Energy: 0.7493976258475162
Energy: 0.7402559673542167
Energy: 0.7327848918394922
Energy: 0.6844415747297018
Energy: 0.6844574498948922
Energy: 0.7398397928615031
Energy: 0.6636063719546088
Energy: 0.6970677084640183
Energy: 0.639295830741385
Energy: 0.6398189475923464
Energy: 0.7388250405061672
Energy: 0.7064983306165094
Energy: 0.7187050130792796
Energy: 0.7422020492231755
Energy: 0.7181548599816835
Energy: 0.6159980321937022
Energy: 0.6176591065523808
Energy: 0.7764998816043267
Energy: 0.693469381751349
Energy: 0.7332627570270449
Energy: 0.6152655880563861
Energy: 0.6116184718758887
Energy: 0.7613479581683741

minimum gb energy = 0.5421502504378812 eV
minimum distance =  2.51894167707686 Angstroms
sigma value = 75


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

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Energy: 0.6855175549528194
Energy: 0.7514480955338146
Energy: 0.7720223164945247
Energy: 0.734746932220218
Energy: 0.9324360781052162
Energy: 0.7264371579507114
Energy: 0.7363529891709196
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Energy: 0.7112090173852375
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Energy: 0.7349848349869174
Energy: 0.6167459270281446
Energy: 0.6638613888160441
Energy: 0.6130222361450907
Energy: 0.8025046786550588
Energy: 0.7127365956156066
Energy: 0.6243615805902392
Energy: 0.6659957616956526
Energy: 0.6545824072432902
Energy: 0.6851366880546254
Energy: 0.7630411386397467
Energy: 0.7637257356917697
Energy: 0.6823063633306794
Energy: 0.6211206894862371
Energy: 0.6803155427886223
Energy: 0.7629305915019329
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Energy: 0.6733394254325672
Energy: 0.6180413925983029
Energy: 0.6830266475730127
Energy: 0.699489409282106
Energy: 0.6189303611583147
Energy: 0.6753409523653249
Energy: 0.6154950244044259
Energy: 0.6820938956456588
Energy: 0.6633843610665707
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Energy: 0.6519147151184861
Energy: 0.6153473978952447
Energy: 0.6175470556243382
Energy: 0.6096796849734312
Energy: 0.7112849972838409
Energy: 0.7644042013483908
Energy: 0.6214968576915724
Energy: 0.6204747866951354
Energy: 0.6090683769011183
Energy: 0.7037830797451717
Energy: 0.7625857784736628
Energy: 0.6360633078731148
Energy: 0.6905220444617962
Energy: 0.9016832304094647
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Energy: 0.7609298067338381
Energy: 0.7232752560035615
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Energy: 0.7074029127504863
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Energy: 0.7191422152265324
Energy: 0.6145037964568437
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Energy: 0.6158047796129876
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Energy: 0.773771705470899
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Energy: 0.6245820712582503
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Energy: 0.6552322501308424
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Energy: 0.6240701891507904
Energy: 0.6882865988236729
Energy: 0.7797924301075843
Energy: 0.7455074899307024
Energy: 0.8825458369774776
Energy: 0.6096703797113049
Energy: 0.7119901753884837
Energy: 0.7792863484216127
Energy: 0.7594234331185103
Energy: 0.8538019316672075
Energy: 0.5822381796236412
Energy: 0.7177658336988515
Energy: 0.7602027503564384
Energy: 0.6722771978023209
Energy: 0.7668210480681503
Energy: 0.8134970366955502
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Energy: 0.7569375018983449
Energy: 0.634480969320883
Energy: 0.5940693062562343
Energy: 0.8000582776537851
Energy: 0.6345643555869911
Energy: 0.6883510326279246
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Energy: 0.6348633311790759
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Energy: 0.7421519924247967
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Energy: 0.6087902431967697
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Energy: 0.7070911251885535
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minimum gb energy = 0.5543810368133533 eV
minimum distance =  2.46976995706509 Angstroms
sigma value = 105


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

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Energy: 0.7309779028019043
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Energy: 0.6753720232696819
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Energy: 0.6891632054758023
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Energy: 0.7531607190166416
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Energy: 0.6521860964827941
Energy: 0.6444973244915069
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Energy: 0.7360090784386797
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Energy: 0.6135597134896762
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Energy: 0.6652476028667236
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Energy: 0.6511626391862951
Energy: 0.6775564689417627
Energy: 0.7595845095287537
Energy: 0.7089479636027202
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Energy: 0.7363198125695283
Energy: 0.7737541070746075
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Energy: 0.7310455339370541
Energy: 0.6686659004690729
Energy: 0.7187958935390043
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Energy: 0.683228042410176
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Energy: 0.8240920742445266
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Energy: 0.6745753310621839
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Energy: 0.7269795276757117
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Energy: 0.6769560001783356
Energy: 0.6593990841384485
Energy: 0.6738986259483821
Energy: 0.6632095097770089
Energy: 0.9217694257603134
Energy: 0.7083081884391597
Energy: 0.6677746958969782
Energy: 0.6740344642036167
Energy: 0.7505198554481071
Energy: 0.9221441053647542
Energy: 0.7084014857203518
Energy: 0.677677350566427
Energy: 0.6914710180595229
Energy: 0.7558019926593712
Energy: 0.6893689282159734
Energy: 0.7394111499441304
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Energy: 0.7226882262428327
Energy: 0.697432891418121
Energy: 0.7113712440554306
Energy: 0.7386960941773096
Energy: 0.6754777018457051
Energy: 0.7211272482890211
Energy: 0.7008746287398709
Energy: 0.7035489922658023
Energy: 0.6731352404372005
Energy: 0.6829471732283958
Energy: 0.7057130436604456
Energy: 0.6822156962660663
Energy: 0.679081128275077
Energy: 0.6705732965608528
Energy: 0.6731616428734644
Energy: 0.6967167002142295
Energy: 0.7481356870775877
Energy: 0.7546662619896775
Energy: 0.6626684259233527
Energy: 0.684558461567178
Energy: 0.6797368130553406
Energy: 0.6986287149981192
Energy: 0.6949942809558187
Energy: 0.6750836192839451
Energy: 0.6606104858205261
Energy: 0.6845816770127764
Energy: 0.7090721630451545
Energy: 0.7008382913594299
Energy: 0.6974826845872649
Energy: 0.6662114402408565
Energy: 0.6769915086770092
Energy: 0.6920217587405109
Energy: 0.7138377545096558
Energy: 0.6266372363750875
Energy: 0.6802542912236843
Energy: 0.7114300334070432
Energy: 0.6995219935917059
Energy: 0.7089658035773314
Energy: 0.9089769695963641
Energy: 0.7062532656714297
Energy: 0.7313613373679486
Energy: 0.736082611821474
Energy: 0.6490015324251932
Energy: 0.9055373038901505
Energy: 0.7362611859716509
Energy: 0.7310090112278286
Energy: 0.740378393018443
Energy: 0.6829791694940595
Energy: 0.6973030682467269
Energy: 0.6731864522093739
Energy: 0.6524796572958191
Energy: 0.7773208381500369
Energy: 0.6964869835416002
Energy: 0.6748809556204182
Energy: 0.6722900106480867
Energy: 0.6979128579027106
Energy: 0.775697414202334
Energy: 0.7030944232909119
Energy: 0.6967979943105458
Energy: 0.6254816737618627
Energy: 0.6186826817097868
Energy: 0.6686859081124266
Energy: 0.8356119008567302
Energy: 0.6762798509537018
Energy: 0.619428641716591
Energy: 0.6370641904911489
Energy: 0.7421445917228271

minimum gb energy = 0.605603701417418 eV
minimum distance =  2.49155373994084 Angstroms
sigma value = 165


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

Energy: 0.7623758923755003
Energy: 0.7586517829953976
Energy: 0.7052817249908061
Energy: 0.689346134565601
Energy: 0.7706025766942425
Energy: 0.7191991316136367
Energy: 0.7533631218341506
Energy: 0.701102044487079
Energy: 0.6779515733745267
Energy: 0.759881122279439
Energy: 0.7549739735532026
Energy: 0.7023800102264464
Energy: 0.7277426900493196
Energy: 0.6630785067609115
Energy: 0.6635274258800261
Energy: 0.7398029532341628
Energy: 0.6855401723556643
Energy: 0.7120697318372327
Energy: 0.6770472076063195
Energy: 0.6906221028430399
Energy: 0.666706966906518
Energy: 0.7253614356286449
Energy: 0.666529454295122
Energy: 0.7007925990553366
Energy: 0.7505778553711951
Energy: 0.6612920478363019
Energy: 0.7692596616857889
Energy: 0.7091767374534104
Energy: 0.6912886324451496
Energy: 0.7604085073053536
Energy: 0.7102999132984738
Energy: 0.7174173964893669
Energy: 0.6965462766289179
Energy: 0.6379475219818214
Energy: 0.7597073958060545
Energy: 0.6909673505655828
Energy: 0.7551493329884075
Energy: 0.6756525285833878
Energy: 0.6336409100641911
Energy: 0.7555178574448179
Energy: 0.7235293347010554
Energy: 0.8523454443374286
Energy: 0.6678093865236122
Energy: 0.6261494641083872
Energy: 0.6513587382857656
Energy: 0.8166390309490325
Energy: 0.8565126211055095
Energy: 0.6481445880868028
Energy: 0.6242001777390418
Energy: 0.6595024519094843
Energy: 0.7097690480609755
Energy: 0.9523143888886374
Energy: 0.66479859478937
Energy: 0.5949732174124442
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Energy: 0.7548745154539954
Energy: 0.6720211251765391
Energy: 0.5940487129601403
Energy: 0.6632347473979031
Energy: 0.7210822363471149
Energy: 0.6575544007133284
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Energy: 0.7307692690439089
Energy: 0.6959355035499983
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Energy: 0.6822893360556476
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Energy: 0.7251438995533531
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Energy: 0.6858423267740094
Energy: 0.7338786350163616
Energy: 0.7574367376214279
Energy: 0.6576668708444879
Energy: 0.6883653115111283
Energy: 0.7057840644376663
Energy: 0.6835408596718537
Energy: 0.8706345952861823
Energy: 0.7790214729923987
Energy: 0.6876713659935569
Energy: 0.6634085440838695
Energy: 0.6578779467676468
Energy: 0.7571614603730324
Energy: 0.767721083416579
Energy: 0.6868208050589151
Energy: 0.6637040349247163
Energy: 0.6622834595636145
Energy: 0.7580224673488268
Energy: 0.6549497832532357
Energy: 0.77824677065623
Energy: 0.6703788947724717
Energy: 0.7056550357863398
Energy: 0.733631381909883
Energy: 0.6758386841334202
Energy: 0.7744509973845789
Energy: 0.6764336890783905
Energy: 0.7291049821379764
Energy: 0.7509469940432627
Energy: 0.720666884927221
Energy: 0.6704043541170817
Energy: 0.7511682974149285
Energy: 0.7643806885173056
Energy: 0.7443135523692027
Energy: 0.7261261252174437
Energy: 0.6855791396955533
Energy: 0.7354717173955818
Energy: 0.7642624362017932
Energy: 0.7472220673393942
Energy: 0.761438815644322
Energy: 0.6631973951014453
Energy: 0.6242764524424389
Energy: 0.7719715526814275
Energy: 0.72662342880015
Energy: 0.731306894802523
Energy: 0.6677197584190099
Energy: 0.6335696646422099
Energy: 0.7692904905591583
Energy: 0.7642953210277253
Energy: 0.8106012345727367
Energy: 0.6845468001486895
Energy: 0.6488870518826696
Energy: 0.6413714565593563
Energy: 0.7657444706666257
Energy: 0.8990814004568386
Energy: 0.6925438048728363
Energy: 0.640286225696037
Energy: 0.6463389151634326
Energy: 0.6837242040270428
Energy: 0.851509457476281
Energy: 0.735544944800189
Energy: 0.5949799723069301
Energy: 0.6650235304869679
Energy: 0.6892998831040942
Energy: 0.8565670758366869
Energy: 0.6701618524908409
Energy: 0.5934088645366291
Energy: 0.6721197173778242
Energy: 0.7441286891224881
Energy: 0.6987080980944824
Energy: 0.7083935763391787
Energy: 0.7000474084892044
Energy: 0.6695296102814616
Energy: 0.7586493522510275
Energy: 0.6640092804467126
Energy: 0.6947957949022883
Energy: 0.7092068463168372
Energy: 0.7090751033924996

minimum gb energy = 0.5934088645366291 eV
minimum distance =  2.49043559372245 Angstroms
sigma value = 41


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

Energy: 1.0916194846517804
Energy: 0.6601702578774902
Energy: 0.6128360753832436
Energy: 0.6059360063915685
Energy: 0.6950429504834837
Energy: 0.7371893783075235
Energy: 0.689404129027708
Energy: 0.6121503329953353
Energy: 0.589184859017472
Energy: 0.6974614546365773
Energy: 0.7198767446111477
Energy: 0.5869960905111988
Energy: 0.6033830362319322
Energy: 0.5855821930738718
Energy: 0.5868777391256591
Energy: 0.7336661512253658
Energy: 0.5736401140527021
Energy: 0.6253221347642274
Energy: 0.610133272229473
Energy: 0.6395441263881911
Energy: 0.6277319518649545
Energy: 0.643451670646178
Energy: 0.642443068619883
Energy: 0.6070589366877328
Energy: 0.7021646585802735
Energy: 0.6436098588687593
Energy: 0.6527114738797068
Energy: 0.6513584152568688
Energy: 0.612480509186495
Energy: 0.6868252519568142
Energy: 0.6992897584975221
Energy: 0.6021002070815537
Energy: 0.5767678740159097
Energy: 0.6165476415699018
Energy: 0.7289300746995754
Energy: 0.696048564356345
Energy: 0.6775720707014492
Energy: 0.5819879824747398
Energy: 0.5967796724063275
Energy: 0.8202713551365293
Energy: 0.6374737389028229
Energy: 0.7270428263740988
Energy: 0.6055231085077574
Energy: 0.6318083302740426
Energy: 0.6693237835687514
Energy: 0.6323086231034948
Energy: 0.6238810685882943
Energy: 0.5949803463855515
Energy: 0.6494149177784967
Energy: 0.7137404563491283
Energy: 0.6884081647954632
Energy: 0.7583898820126916
Energy: 0.7144880120979996
Energy: 0.5794177769177982
Energy: 0.6959853121147839
Energy: 0.7151347112901038
Energy: 0.7692037159224159
Energy: 0.7164450981644214
Energy: 0.6479398132598223
Energy: 0.6907716957552378
Energy: 0.658797391143148
Energy: 0.6225573213948179
Energy: 0.6062367180471036
Energy: 0.6411998934868044
Energy: 0.5878447418536401
Energy: 0.6526121694513976
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Energy: 0.6076435750125729
Energy: 0.6008860163524008
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Energy: 0.7313026697097916
Energy: 0.6056544389392964
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Energy: 0.6419119072166743
Energy: 0.6895734653308052
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Energy: 0.6654499963399532
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Energy: 0.750487194508754
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Energy: 0.6152225567161127
Energy: 0.6669066136055978
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Energy: 0.6917286690468598
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Energy: 0.5587173617123927
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Energy: 0.5734861701106404
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Energy: 0.8717130924108232
Energy: 0.6138354995284541
Energy: 0.5657224571366907
Energy: 0.5628937371474647
Energy: 0.6312352010786935
Energy: 0.932495855465559
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Energy: 0.5710913094780412
Energy: 0.6521473777782432
Energy: 0.9116606938793336
Energy: 0.6132718554581319
Energy: 0.6113846146631793
Energy: 0.5746155471920668
Energy: 0.6862164461525779
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Energy: 0.6283844672252278
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Energy: 0.5768615297168375
Energy: 0.8300099635012717
Energy: 0.622157347736992
Energy: 0.6139351602071419
Energy: 0.5998203958143908
Energy: 0.58284351828616
Energy: 0.6295628236251797
Energy: 0.7309031430878555
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Energy: 0.6039392367219367
Energy: 0.5863857455658509
Energy: 0.7025364689977359
Energy: 0.7292174636770636
Energy: 0.627345916420498
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Energy: 0.7946464795370626
Energy: 0.6368624656367308
Energy: 0.6181619388212828
Energy: 0.5991545972726037
Energy: 0.6470653296726563
Energy: 0.6989000592551323
Energy: 0.5993281546527935
Energy: 0.7078219120611243
Energy: 0.6500347633652848
Energy: 0.6196417592482277
Energy: 0.6252102001121818
Energy: 0.676904240726255
Energy: 0.7438622296487082
Energy: 0.6744991091424248
Energy: 0.7085047018728624
Energy: 0.6270166254664771
Energy: 0.6744976102592701
Energy: 0.6052750781174339
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Energy: 0.7027911609939724
Energy: 0.6153878420325825
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Energy: 0.7019011244353852
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Energy: 0.8064915060723973
Energy: 0.6810308102047407
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Energy: 0.598559095645306
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Energy: 0.7600925425379415
Energy: 0.6471415004562997
Energy: 0.73431137751055
Energy: 0.6884152406988134
Energy: 0.6937160317539063
Energy: 0.6994888871893328
Energy: 0.6909463163641513
Energy: 0.7267139308514152
Energy: 0.6780202737554534
Energy: 0.7063171875411106
Energy: 0.6981319428414612
Energy: 0.6850745472531281
Energy: 0.6576932259547388
Energy: 0.6023234197307147
Energy: 0.6228727306109394
Energy: 0.6020986462759225
Energy: 0.701294069933832
Energy: 0.6860043037119425
Energy: 0.6001483987920545
Energy: 0.6038293586917075
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Energy: 0.7003932444739912
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Energy: 0.6057886364386226
Energy: 0.7366738715284454
Energy: 0.6636157756615275
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Energy: 0.6313686445892785
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Energy: 0.6707889802055045
Energy: 0.6816594737697614
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Energy: 0.694577207701433
Energy: 0.8933307184374507
Energy: 0.5953360973307993
Energy: 0.5537868598790541
Energy: 0.5917560320710771
Energy: 0.6827461347678234
Energy: 0.6516227263434892
Energy: 0.5984705444880337
Energy: 0.5569183805206341
Energy: 0.5578354556707981
Energy: 0.6490765924676176
Energy: 0.7288567044820177
Energy: 0.6091645805928224
Energy: 0.5241061186616721
Energy: 0.5999171180369135
Energy: 0.6014191344370367
Energy: 0.7274203107136703
Energy: 0.6026744172398573
Energy: 0.5953004810085643
Energy: 0.6285283100395025
Energy: 0.7055246149877975
Energy: 0.6508109688104087
Energy: 0.6208103931842287
Energy: 0.6020914421206411
Energy: 0.5811461665462886
Energy: 0.6843510464668292
Energy: 0.5903083407042267
Energy: 0.6020783894723956
Energy: 0.5944317787479284
Energy: 0.5586201362416582
Energy: 0.6853584797463906
Energy: 0.6832067365256336
Energy: 0.6137175602749603
Energy: 0.6205289773503473
Energy: 0.5792908676443209
Energy: 0.6490642036763151
Energy: 0.5834892811962268
Energy: 0.5951982683647659
Energy: 0.6257533025123878
Energy: 0.6135977493346505

minimum gb energy = 0.5241061186616721 eV
minimum distance =  2.5200575415434 Angstroms
sigma value = 185


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

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Energy: 0.43550110705067496
Energy: 0.6622365473340748
Energy: 0.5482001380355955
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Energy: 0.41304916492912996
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Energy: 0.5086226460480598
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Energy: 0.37545120808865995
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Energy: 0.6299477197566175
Energy: 0.3997629827836585
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Energy: 0.38549453981251375
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Energy: 0.3876991261335685
Energy: 0.3512601541627309
Energy: 0.3573385902989825
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Energy: 0.5824218401593094
Energy: 0.49013454820083074
Energy: 0.34989276944236386
Energy: 0.2828921544103108
Energy: 0.5685856420668733
Energy: 0.5530670437213913
Energy: 0.37259614639337696
Energy: 0.3660830268757791
Energy: 0.40735427307522437
Energy: 0.8227053637320807
Energy: 0.5449384616815315
Energy: 0.3575230105766211
Energy: 0.38439254504088755
Energy: 0.5322649189970247
Energy: 0.8866636995041263
Energy: 0.5377380312862073
Energy: 0.39776768551897035
Energy: 0.3968471783807452
Energy: 0.4810113396025896
Energy: 0.7016779681438257
Energy: 0.529156339296501
Energy: 0.3002538452769558
Energy: 0.4078668162279094
Energy: 0.5552156171339211
Energy: 0.5967921436338998
Energy: 0.4677037090404056
Energy: 0.34841021184168414
Energy: 0.3305362336307751
Energy: 0.5156912947984441
Energy: 0.6300356135018198
Energy: 0.5504609715249378
Energy: 0.4393429160607159
Energy: 0.4112769459050621
Energy: 0.6235050567627954
Energy: 0.5820072037325741
Energy: 0.4829742343559664
Energy: 0.375500648126019
Energy: 0.49417604304727314
Energy: 0.5809342054526158
Energy: 0.7150060250297434
Energy: 0.43615189428431345

minimum gb energy = 0.2766247026880952 eV
minimum distance =  2.65465716502266 Angstroms
sigma value = 33


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

Energy: 0.72660632906293
Energy: 0.5337381141701699
Energy: 0.5305985656724085
Energy: 0.5183637997101499
Energy: 0.5737855671762442
Energy: 0.6047920068608111
Energy: 0.521677926587455
Energy: 0.5294639995731715
Energy: 0.5328326939303033
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Energy: 0.6391473412584839
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Energy: 0.6340554061568408
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Energy: 0.546136278806274
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Energy: 0.6496189197616022
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Energy: 0.5074177794173821
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Energy: 0.5263940300774401
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Energy: 0.6686986208622125
Energy: 0.5520153858749194
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Energy: 0.5365426637758096
Energy: 0.6928273201994075
Energy: 0.5586796786866113
Energy: 0.5343406846051961
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Energy: 0.5356114065840732
Energy: 0.5559103563912448
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Energy: 0.625598350152515
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Energy: 0.5838519536186866
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Energy: 0.5525320687833299
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Energy: 0.6658088127680704
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Energy: 0.5582624112733915
Energy: 0.6674798060561873
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Energy: 0.6360759994515174
Energy: 0.6078027619296893
Energy: 0.5654703974353805
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Energy: 0.6626910204724353
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Energy: 0.6138565970588659
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Energy: 0.6216446163420909
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Energy: 0.5730865498151819
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Energy: 0.5405546368893237
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Energy: 0.5290122355447621
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Energy: 0.5296689651448038
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Energy: 0.52072644089391
Energy: 0.5518356450438757

minimum gb energy = 0.4880052169572149 eV
minimum distance =  2.48153236822941 Angstroms
sigma value = 219


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

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Energy: 0.7472148172763732
Energy: 0.674900258552958
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Energy: 0.709253626238648
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Energy: 0.6653765748200587
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Energy: 0.7243825158276429
Energy: 0.6779731918458325
Energy: 0.7139990509073707
Energy: 0.7056969775177078
Energy: 0.693818781057165
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Energy: 0.7045922639302379
Energy: 0.7084757891280452
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Energy: 0.7283167639845975
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Energy: 0.6310444392390331
Energy: 0.6379304446956504
Energy: 0.7254617712977294
Energy: 0.7671134046076632
Energy: 0.6349606448347381
Energy: 0.6737712897765493
Energy: 0.6372519300866782
Energy: 0.734517355789279

minimum gb energy = 0.5763091974184772 eV
minimum distance =  2.56689379737203 Angstroms
sigma value = 15


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

Energy: 0.9664040521649654
Energy: 0.713749316157511
Energy: 0.7214008180592026
Energy: 0.691371995189265
Energy: 0.7003175888648084
Energy: 0.9490756067448843
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Energy: 0.7165741583184296
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Energy: 0.8089423109177555
Energy: 0.7302618046128071
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Energy: 0.7616192180350423
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Energy: 0.734811671199296
Energy: 0.823649278315033
Energy: 0.7005502178690838
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minimum gb energy = 0.6259764808937968 eV
minimum distance =  2.50492529881738 Angstroms
sigma value = 293


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

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Energy: 0.6618428251683287
Energy: 0.6994924695493983
Energy: 0.7086041124230703
Energy: 0.704435652105519
Energy: 0.756748924968962
Energy: 0.6613891576769219
Energy: 0.6977679008100084
Energy: 0.6846496127258215
Energy: 0.7327223099962826
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Energy: 0.6836660236682511
Energy: 0.6870186898011355
Energy: 0.6941282647579341
Energy: 0.7388649528742595
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Energy: 0.6990952899901696
Energy: 0.820370136465514
Energy: 0.7626743833817583
Energy: 0.6605810497495463
Energy: 0.6768994048319694
Energy: 0.6455796013471208
Energy: 0.8639434706902029
Energy: 0.7536270266850563
Energy: 0.6598871849918607
Energy: 0.6845787384482432
Energy: 0.6672578872810249
Energy: 0.7149234577539653
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Energy: 0.6233062263184787
Energy: 0.6587427039604165
Energy: 0.6920067954929432
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Energy: 0.6668598337966065
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Energy: 0.7052582705190522
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Energy: 0.6650189446681637
Energy: 0.8233173404024832
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Energy: 0.6549283393478625
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Energy: 0.8230132595206883
Energy: 0.6672143734195946
Energy: 0.6546354526751775
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Energy: 0.6818444197773303
Energy: 0.7374822218395675
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Energy: 0.6178223102133269
Energy: 0.7169473856141088
Energy: 0.7038189228109593
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Energy: 0.6135894651582178
Energy: 0.6371848415643308
Energy: 0.6642263896831466
Energy: 0.8123301380407292
Energy: 0.678589761571074
Energy: 0.7183939068981108
Energy: 0.6819298393277531
Energy: 0.625391150196284
Energy: 0.8235505320368711
Energy: 0.7155585688445729
Energy: 0.7083568391763506
Energy: 0.712909908982778
Energy: 0.6916729068033671
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Energy: 0.629080177755322
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Energy: 0.6645624430691693
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Energy: 0.7280897679986943
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Energy: 0.6650860795751795
Energy: 0.6421634227179196
Energy: 0.7156325835992197
Energy: 0.7278442031925796
Energy: 0.6646563330441566
Energy: 0.7325431306430679
Energy: 0.7387554308553907
Energy: 0.6766049860818193
Energy: 0.7267211025386019
Energy: 0.6837587868107889
Energy: 0.6890331032972791
Energy: 0.655354994364013
Energy: 0.6744376100417374
Energy: 0.6349117753897237
Energy: 0.6990666855057064
Energy: 0.8351624459173089
Energy: 0.6057653960791808
Energy: 0.7185031573625785
Energy: 0.628301365426207
Energy: 0.7220038430842832
Energy: 0.8216427437690925
Energy: 0.5942472438950454
Energy: 0.7099164947762437
Energy: 0.6100501179658195
Energy: 0.6938636823530278
Energy: 0.6860826565495914
Energy: 0.6697368918986984
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Energy: 0.6479305340473874
Energy: 0.7365184318768464
Energy: 0.6547338617498174
Energy: 0.6483762344695321
Energy: 0.6977206698788937
Energy: 0.7393513091995102
Energy: 0.7531832060786492
Energy: 0.6669126869951821
Energy: 0.6643759776510444
Energy: 0.6661496441221698
Energy: 0.6612816665986353
Energy: 0.7394104956301277
Energy: 0.69721260947307
Energy: 0.8200595000765994
Energy: 0.6975875579634727
Energy: 0.8059163739896654
Energy: 0.695555687021074
Energy: 0.6958216448771309
Energy: 0.8185883901735322
Energy: 0.7077461833685432
Energy: 0.6344871611523611
Energy: 0.6642823708444057
Energy: 0.6539806084329144
Energy: 0.8198129921728365
Energy: 0.6990521502202703
Energy: 0.6326236849471396
Energy: 0.6645460720103837
Energy: 0.7061154139721829
Energy: 0.8160703567711585
Energy: 0.6628520619888132
Energy: 0.6086931085714156
Energy: 0.6680633773441237
Energy: 0.6971130010183519
Energy: 0.6921728503159236
Energy: 0.6569941140255583
Energy: 0.6113549951848768
Energy: 0.6933713545965845
Energy: 0.697204675088796
Energy: 0.6862819916688239
Energy: 0.7205655541790617
Energy: 0.6424787018104812
Energy: 0.6825969699801734
Energy: 0.8059101753659866
Energy: 0.623093111572307
Energy: 0.7175799836343144
Energy: 0.6447825515377885
Energy: 0.6750320326642176
Energy: 0.764951739147747
Energy: 0.6275576289303776
Energy: 0.6635171486725835
Energy: 0.6308345791254567
Energy: 0.7040516649819594
Energy: 0.6819035578964737
Energy: 0.6631080596089737
Energy: 0.6531026096065481
Energy: 0.6314227970657091
Energy: 0.7220753313067374
Energy: 0.6783006133220039
Energy: 0.7095068640305732
Energy: 0.710006131883754
Energy: 0.7036588946740059
Energy: 0.6495904221190602
Energy: 0.7538278186464783
Energy: 0.6626856690879132
Energy: 0.7042950772770152
Energy: 0.7282963244532689
Energy: 0.7510091456764131
Energy: 0.768189905270224
Energy: 0.6626464993498763
Energy: 0.8122852557588689
Energy: 0.7547542111679175
Energy: 0.75208542763746
Energy: 0.6512499204268654
Energy: 0.7069284927875794
Energy: 0.8145105048663548
Energy: 0.6841193473090658
Energy: 0.7484605466710021
Energy: 0.6519542085777373
Energy: 0.6673001376630512

minimum gb energy = 0.5942472438950454 eV
minimum distance =  2.53991296316138 Angstroms
sigma value = 293


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

Energy: 0.5625296778925588
Energy: 0.6003026751990412
Energy: 0.6953743320235541
Energy: 0.7592990879174216
Energy: 0.561766317461853
Energy: 0.5616335258298029
Energy: 0.6655518907627418
Energy: 0.7075133337684296
Energy: 0.7545500073714959
Energy: 0.5620145020393856
Energy: 0.6611881840390365
Energy: 0.6944945104475888
Energy: 0.5747258585850319
Energy: 0.7065367181785583
Energy: 0.6646252030590287
Energy: 0.6058534787051478
Energy: 0.5720737756476449
Energy: 0.5616715579159844
Energy: 0.6996329991304857
Energy: 0.6643503977388113
Energy: 0.6367137654433818
Energy: 0.6625464800608972
Energy: 0.5745064941423311
Energy: 0.6993236682432272
Energy: 0.6579611774489408
Energy: 0.7729183202595129
Energy: 0.6640760068621258
Energy: 0.5724610748184356
Energy: 0.698473275518993
Energy: 0.6577903243177505
Energy: 0.660407580708202
Energy: 0.6271156798161579
Energy: 0.5623303968205101
Energy: 0.5796439469553919
Energy: 0.657770890100912
Energy: 0.7061865215513007
Energy: 0.5627657305244845
Energy: 0.5620407299757901
Energy: 0.5781618964389431
Energy: 0.6440977993413476
Energy: 0.72822874358847
Energy: 0.5742532450434039
Energy: 0.5627859004638253
Energy: 0.7039449914618823
Energy: 0.6340523464769509
Energy: 0.733324171815567
Energy: 0.5629770893609017
Energy: 0.5626008830460236
Energy: 0.6998145080397291
Energy: 0.6340697012920051
Energy: 0.7281196236562802
Energy: 0.7006347977098264
Energy: 0.7352454337390584
Energy: 0.6752796845991885
Energy: 0.5620271820547481
Energy: 0.741659783195724
Energy: 0.6996073812302344
Energy: 0.7173772459714662
Energy: 0.5777228207108784
Energy: 0.5619935671575401
Energy: 0.6577762816658308
Energy: 0.5879143543574978
Energy: 0.7566892330537325
Energy: 0.7038804821408563
Energy: 0.5719143208669565
Energy: 0.6603468679448773
Energy: 0.5923765489651914
Energy: 0.7361568821774207
Energy: 0.7246970527735328
Energy: 0.7175506253492622
Energy: 0.7081783396764872
Energy: 0.7553168287654387
Energy: 0.5763466915385488
Energy: 0.5621513582820798
Energy: 0.5623644019947149
Energy: 0.7078897551147995
Energy: 0.7447546491876436
Energy: 0.6493573819175683
Energy: 0.5621821228532208
Energy: 0.5611815428980913
Energy: 0.572495168686905
Energy: 0.571994509087939
Energy: 0.704425025517875
Energy: 0.5622500477253866
Energy: 0.6751283956685737
Energy: 0.5727846823871702
Energy: 0.6890749527216151
Energy: 0.6906324710356284
Energy: 0.5623212177134737
Energy: 0.6524940035426392
Energy: 0.5778362666427116
Energy: 0.5753772607351737
Energy: 0.7471021059571462
Energy: 0.5765987546968201
Energy: 0.6642594125374885
Energy: 0.5761555738487892
Energy: 0.6304677534427474
Energy: 0.7789554750851619
Energy: 0.6436615159868658
Energy: 0.6708225920489616
Energy: 0.6394707705138005
Energy: 0.7069144783983106
Energy: 0.5758962012628057
Energy: 0.6585665535119404
Energy: 0.7375665362461865
Energy: 0.6547270920816293
Energy: 0.7072681222630219
Energy: 0.6648052601502433
Energy: 0.6599207373393804
Energy: 0.7426850997177993
Energy: 0.5641534598605097
Energy: 0.6643222129621011
Energy: 0.7139195382325372
Energy: 0.7561565519348824
Energy: 0.5627021960318961
Energy: 0.5620801325255708
Energy: 0.6769303962175753
Energy: 0.7045560645934946
Energy: 0.7297389970813509
Energy: 0.5624524961276482
Energy: 0.6032889694212134
Energy: 0.6943401993429198
Energy: 0.5749734340692392
Energy: 0.6915200454261864
Energy: 0.7070805793201294
Energy: 0.603283027792387
Energy: 0.6922103047105215
Energy: 0.5617326119490171
Energy: 0.7139610040065751
Energy: 0.7071831753024661
Energy: 0.6372570035266856
Energy: 0.6860123552435752
Energy: 0.574358367393076
Energy: 0.7009673880281388
Energy: 0.6031298340483905
Energy: 0.6783673389457019
Energy: 0.6802799786603836
Energy: 0.5728990422232461
Energy: 0.698381697350918
Energy: 0.6575225053716315
Energy: 0.6578473263392438
Energy: 0.6291568901267981
Energy: 0.5620868887896507
Energy: 0.5756325889331587
Energy: 0.6576096194657587
Energy: 0.7020432924095149
Energy: 0.5626473745515692
Energy: 0.5619862625568675
Energy: 0.5782387050192018
Energy: 0.6573611564345767
Energy: 0.7462285254158124
Energy: 0.5624915628066584
Energy: 0.5627402742010836
Energy: 0.7016928376549652
Energy: 0.6343676368160005
Energy: 0.7597428801922084
Energy: 0.5619268917222182
Energy: 0.5628038622535319
Energy: 0.682294225563294
Energy: 0.6353217129347737
Energy: 0.7573285083219329
Energy: 0.6994648949570026
Energy: 0.7442190721697224
Energy: 0.6782485622016765
Energy: 0.5615118184243241
Energy: 0.7571186819649988
Energy: 0.6999349609144871
Energy: 0.7227557830103162
Energy: 0.6837932905118644
Energy: 0.5615168287904541
Energy: 0.6566730811551759
Energy: 0.6061238164078415
Energy: 0.7701289837737363
Energy: 0.7320069619527124
Energy: 0.6971984837724632
Energy: 0.6596029877619697
Energy: 0.603928888951262
Energy: 0.7525586308188659
Energy: 0.698517468600376
Energy: 0.7068510957589493
Energy: 0.7081544133498698
Energy: 0.7566284074033701
Energy: 0.6350014126005573
Energy: 0.5620764956455722
Energy: 0.5625418679240103
Energy: 0.7081262226270891
Energy: 0.7773502205007354
Energy: 0.576581518583467
Energy: 0.5635467121541098
Energy: 0.5620942709161307
Energy: 0.5724764820665164
Energy: 0.5615878357295421
Energy: 0.7044910383768398
Energy: 0.5622265384185484
Energy: 0.5719993710972214
Energy: 0.5726019339893136
Energy: 0.7083738948677717
Energy: 0.6877788745687504
Energy: 0.5624481900536017
Energy: 0.572434168872606
Energy: 0.5773924143927823
Energy: 0.6002376487882387
Energy: 0.7784546881819716
Energy: 0.590353423250871
Energy: 0.6689260898942546
Energy: 0.5763774219009957
Energy: 0.6171411572068232
Energy: 0.7772662697179247
Energy: 0.6644794881346013
Energy: 0.6658505257412194
Energy: 0.6342903981579423
Energy: 0.7073256642276478
Energy: 0.5760551897677985
Energy: 0.6593212569295885
Energy: 0.5723869624092377
Energy: 0.6379142709383426
Energy: 0.7072871301372684
Energy: 0.6660042444771237
Energy: 0.6594996136948803
Energy: 0.7394369654108851

minimum gb energy = 0.5611815428980913 eV
minimum distance =  2.51314649895697 Angstroms
sigma value = 15


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

Energy: 1.063784560303195
Energy: 0.7114828557728042
Energy: 0.7607944522098723
Energy: 0.7326269323305791
Energy: 0.7247432497417834
Energy: 1.0296459677055922
Energy: 0.7007778194418335
Energy: 0.6896983668111379
Energy: 0.7504820154980136
Energy: 0.6655535311189181
Energy: 0.704282559504944
Energy: 0.6784791757254837
Energy: 0.6546934915505701
Energy: 0.6475197699261916
Energy: 0.6903365083993068
Energy: 0.7053701818535721
Energy: 0.6800232989705076
Energy: 0.6419156782491192
Energy: 0.656923592044015
Energy: 0.7101668802863234
Energy: 0.690831415707503
Energy: 0.719662545973437
Energy: 0.7125301054213193
Energy: 0.6664304850144993
Energy: 0.6871627061978335
Energy: 0.7187056117000955
Energy: 0.7247222640432499
Energy: 0.6940751078581474
Energy: 0.646813247364792
Energy: 0.677395012704368
Energy: 0.7102576850744811
Energy: 0.6820300412006518
Energy: 0.7285843097983364
Energy: 0.7206548928107251
Energy: 0.6874500623711196
Energy: 0.7251319306560018
Energy: 0.6616296579924175
Energy: 0.7601396951071017
Energy: 0.706495820144318
Energy: 0.6816859895687868
Energy: 0.7541434387718955
Energy: 0.6616415909456602
Energy: 0.7538148031788782
Energy: 0.6456852811279025
Energy: 0.7687045853696565
Energy: 0.7512388307467978
Energy: 0.6859008632064066
Energy: 0.7677657644214555
Energy: 0.7436254699838303
Energy: 0.7692353173062336
Energy: 0.7738240132628997
Energy: 0.6522671621028538
Energy: 0.717219453723192
Energy: 0.7047188735428875
Energy: 0.7865165072031957
Energy: 0.7129556686006051
Energy: 0.6470705821613357
Energy: 0.7221643815122951
Energy: 0.7395906992576956
Energy: 0.7866310676202664
Energy: 0.654487560520696
Energy: 0.6150230715610754
Energy: 0.6424956960994803
Energy: 0.6841497389019775
Energy: 0.7677906732556604
Energy: 0.6546237554514182
Energy: 0.6157583552537254
Energy: 0.6662893016921348
Energy: 0.696173600793776
Energy: 0.7677119882171967
Energy: 0.7068195464775519
Energy: 0.6417037022212745
Energy: 0.7054689370264751
Energy: 0.6643387413099989
Energy: 0.7289109116190605
Energy: 0.7039991006985568
Energy: 0.6326907443790346
Energy: 0.6998370937131805
Energy: 0.6981334362689018
Energy: 0.678556096755045
Energy: 0.6611860588006119
Energy: 0.7515374543216328
Energy: 0.7415415008784433
Energy: 0.7888189988066592
Energy: 0.6830060662266882
Energy: 0.6698855877128659
Energy: 0.7704067211379668
Energy: 0.7229433165281013
Energy: 0.7880707895256195
Energy: 0.6647976867994403
Energy: 0.7167040346917214
Energy: 0.6875181685983981
Energy: 0.6931961121634017
Energy: 0.6364139744548948
Energy: 0.6668869865910568
Energy: 0.7202171195226823
Energy: 0.6853842303434428
Energy: 0.6723395480711816
Energy: 0.6360496014742906
Energy: 0.6685824104053756
Energy: 0.7535321389907059
Energy: 0.7122982815151262
Energy: 0.6825912310445449
Energy: 0.6255519741969936
Energy: 0.6724699093694484
Energy: 0.7411985111455028
Energy: 0.7242922581737791
Energy: 0.6660993060910145
Energy: 0.626167493076897
Energy: 0.7114175833833625
Energy: 0.6968791548378327
Energy: 0.6802608166081897
Energy: 0.6899228812639785
Energy: 0.729020636637192
Energy: 0.7516199942388458
Energy: 0.6906090475368163
Energy: 0.6864869707843005
Energy: 0.6922558559193183
Energy: 0.7250330169586023
Energy: 0.7284360358033105
Energy: 0.7285103474016199
Energy: 0.7240112679897245
Energy: 0.7317607387232337
Energy: 0.6582569851380401
Energy: 0.7174809751898231
Energy: 0.7006154384273963
Energy: 0.7024781088290982
Energy: 0.6789059008886228
Energy: 0.7843243315393442
Energy: 0.7516332964581144
Energy: 0.6407398230773782
Energy: 0.6773670633576472
Energy: 0.7502858068678875
Energy: 0.6865545695080283
Energy: 0.679402314268954
Energy: 0.6410525033247533
Energy: 0.6747888961667466
Energy: 0.7398940657773518
Energy: 0.7235624930727798
Energy: 0.67498212019676
Energy: 0.6641303388314883
Energy: 0.7632718756375096
Energy: 0.7188322833719198
Energy: 0.7285681395991429
Energy: 0.7025361610186123
Energy: 0.6883848921429623
Energy: 0.7149150663839594
Energy: 0.7145300062547307
Energy: 0.724116988786676
Energy: 0.730958216273707
Energy: 0.6991682928663495
Energy: 0.7246791464217054
Energy: 0.7007527236587864
Energy: 0.7682293837286632
Energy: 0.7497573087966203
Energy: 0.699927431977154
Energy: 0.7179218620315198
Energy: 0.7047364228011479
Energy: 0.7870958769919001
Energy: 0.7472688340819265
Energy: 0.7149675175147392
Energy: 0.7750097078618032
Energy: 0.7634728805063865
Energy: 0.7802769446312061
Energy: 0.9272479998562545
Energy: 0.6485541121533045
Energy: 0.763912982728639
Energy: 0.7646910595318095
Energy: 0.7585367128086123
Energy: 0.745657750696628
Energy: 0.7317954986653167
Energy: 0.7726418365717014
Energy: 0.7043215556107518
Energy: 0.818310383589035
Energy: 0.6634139081127124
Energy: 0.7332022659735054
Energy: 0.741308787573139
Energy: 0.7801228780380808
Energy: 0.8129732411396002
Energy: 0.6785118574140935
Energy: 0.7011769149730835
Energy: 0.7687594354950174
Energy: 0.6576770132437537
Energy: 0.627310347845989
Energy: 0.6241953219904995
Energy: 0.7157794719439607
Energy: 0.7635937171876827
Energy: 0.6517663859712061
Energy: 0.6268595211743921
Energy: 0.6317304913494638
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Energy: 0.7874858947529727
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Energy: 0.6852141372718329
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Energy: 0.6734899120718053
Energy: 0.737235161601293
Energy: 0.725041860512645
Energy: 0.7230810315300181
Energy: 0.6216885514356024
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Energy: 0.688228153052025
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Energy: 0.6923635545383698
Energy: 0.6871053480479627
Energy: 0.6887365787369648
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Energy: 0.6662327212707013
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Energy: 0.6964647498586258
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Energy: 0.6662943029202277
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Energy: 0.6494396671908721
Energy: 0.6676518580995661
Energy: 0.7194757383825414
Energy: 0.7175412668694002
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Energy: 0.7824660964656294
Energy: 0.6895140502931717
Energy: 0.6982712278716404
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Energy: 0.7141813471849725
Energy: 0.7415517931843788
Energy: 0.7631584975530205
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Energy: 0.6494085622598215
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Energy: 0.7561300837745836
Energy: 0.6852212313362692
Energy: 0.7662773713251446
Energy: 0.6914852657918166
Energy: 0.7425425155128074
Energy: 0.7547645442785538
Energy: 0.7690283530076603
Energy: 0.8044460489609693
Energy: 0.6942324112229552
Energy: 0.7109169801589047
Energy: 0.7786042328228212
Energy: 0.681674020835424
Energy: 0.6267256176258567
Energy: 0.6380209309699375
Energy: 0.7183592424575167
Energy: 0.7706704661214211
Energy: 0.6741065988735621
Energy: 0.6233596087849802
Energy: 0.6521597312914422
Energy: 0.6468647662469188
Energy: 0.779538514007621
Energy: 0.7105630691571451
Energy: 0.6497732536288515
Energy: 0.6362605579551175
Energy: 0.6538983601965508
Energy: 0.7822553286366009
Energy: 0.6948340448657356
Energy: 0.6429954142782836
Energy: 0.6347227154198047
Energy: 0.6703921644942478
Energy: 0.6508367404572329
Energy: 0.6959990167698692
Energy: 0.672719119598138
Energy: 0.7207629854047851
Energy: 0.705371095608484
Energy: 0.6434714029934273
Energy: 0.6762402672703363
Energy: 0.6790377884481881
Energy: 0.7122395509656223
Energy: 0.6540104728833964
Energy: 0.6512106304487303
Energy: 0.693892984428162
Energy: 0.7650477145604345
Energy: 0.7552749923654064
Energy: 0.6813526107323195
Energy: 0.6750654487002081
Energy: 0.7119127876781459
Energy: 0.7633421964345402
Energy: 0.6445513083015111
Energy: 0.6231801905045719
Energy: 0.6174525523993196
Energy: 0.7133280598628348
Energy: 0.7578540173716211
Energy: 0.7272587872354636
Energy: 0.6273257457831042
Energy: 0.6356461170344249
Energy: 0.6785687787852787
Energy: 0.7775150484962585
Energy: 0.7221110101932802
Energy: 0.7134570280950212
Energy: 0.6769396900148884
Energy: 0.7115628658790442
Energy: 0.7177095678475729
Energy: 0.6835217715534768
Energy: 0.6735543514681214
Energy: 0.7695054746746082
Energy: 0.6967765626524677
Energy: 0.7180460441337345
Energy: 0.6897323451428181
Energy: 0.6726658458375774
Energy: 0.7394924349552625
Energy: 0.7585767861360486
Energy: 0.6998045405544361
Energy: 0.690839031775036
Energy: 0.6216692504777498
Energy: 0.7197952065300519
Energy: 0.7688842802989695
Energy: 0.744723062032934
Energy: 0.7791754556887955

minimum gb energy = 0.6128101899373791 eV
minimum distance =  2.50287223835391 Angstroms
sigma value = 437


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

Energy: 0.7935358828754419
Energy: 0.6536616755729806
Energy: 0.7336183802762088
Energy: 0.761922904706985
Energy: 0.6573263154323156
Energy: 0.7938864889989319
Energy: 0.6070354426726515
Energy: 0.7334470840036588
Energy: 0.753735563816144
Energy: 0.7095282067725825
Energy: 0.683709207225242
Energy: 0.70969415105652
Energy: 0.690362433580983
Energy: 0.7049588063723669
Energy: 0.7952521463873845
Energy: 0.6926281810132222
Energy: 0.7796810858894933
Energy: 0.6798441525691511
Energy: 0.762856222084179
Energy: 0.8707145720186779
Energy: 0.6438005276656511
Energy: 0.677750790992406
Energy: 0.7697813973680682
Energy: 0.7752977675878434
Energy: 0.6391789510089452
Energy: 0.6507783114449133
Energy: 0.6793173012777878
Energy: 0.7567935397078527
Energy: 0.6619401702041358
Energy: 0.6372725488241545
Energy: 0.6614521486152174
Energy: 0.7699430098723419
Energy: 0.8278183075923683
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Energy: 0.6518310817646757
Energy: 0.6657999595310551
Energy: 0.7965267069521642
Energy: 0.8183914480436989
Energy: 0.6980177106995719
Energy: 0.6507602219709223
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Energy: 0.8061626038340078
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Energy: 0.7280246240569945
Energy: 0.7575307508663772
Energy: 0.8045490029729379
Energy: 0.6761983373019043
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Energy: 0.6755611271674861
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Energy: 0.6803621454994087
Energy: 0.7030095611448853
Energy: 0.7042913167515072
Energy: 0.7962103093547293
Energy: 0.666474276094858
Energy: 0.6585999310811709
Energy: 0.6530545965240288
Energy: 0.6679339252552273
Energy: 0.7835311615263522
Energy: 0.6697262054727021
Energy: 0.6432484941794153
Energy: 0.656881189617882
Energy: 0.6711772036357492
Energy: 0.7312272931230568
Energy: 0.676587102427265
Energy: 0.691236190953783
Energy: 0.6702097965574942
Energy: 0.7480673020269313
Energy: 0.7414476087070171
Energy: 0.6809911597509267
Energy: 0.6924713591638094
Energy: 0.6782591542565983
Energy: 0.7402534604441683
Energy: 0.7423252240547763
Energy: 0.7861729770000547
Energy: 0.831135264415233
Energy: 0.7712653627800716
Energy: 0.7369262678990953
Energy: 0.7516315095229277
Energy: 0.7766521779237922
Energy: 0.836472441798361
Energy: 0.783637319978875
Energy: 0.7113493345339711
Energy: 0.6900533998833898
Energy: 0.6943979438947507
Energy: 0.7949657044372637
Energy: 0.6253306301336502
Energy: 0.8088936039254351
Energy: 0.767171259664287
Energy: 0.729938667399928
Energy: 0.7997417026823891
Energy: 0.6174024871785135
Energy: 0.8085031648594737
Energy: 0.7719209221630786
Energy: 0.6248445870860708
Energy: 0.6257224142332906
Energy: 0.6836414163536186
Energy: 0.8003958231893672
Energy: 0.8194304955150498
Energy: 0.6197543998679615
Energy: 0.6608047566548351
Energy: 0.7120906904128792
Energy: 0.7997072432618655
Energy: 0.6181133851205505
Energy: 0.6011934793427097
Energy: 0.6043527987607805
Energy: 0.6491627087306442
Energy: 0.8070406634342749
Energy: 0.6471075733269492
Energy: 0.5922438869359431
Energy: 0.6062358776693646
Energy: 0.654270744773984
Energy: 0.8078188105683071
Energy: 0.6365668154618196
Energy: 0.627495934621183
Energy: 0.6686675701671805
Energy: 0.7688017875982945
Energy: 0.7689172597730198
Energy: 0.6817186748725104
Energy: 0.632938977812884
Energy: 0.7686941068744477
Energy: 0.7388080695295102
Energy: 0.7584449893459251
Energy: 0.68028240965912
Energy: 0.7617325043887478
Energy: 0.778953375607835
Energy: 0.7620778304304104
Energy: 0.8019485541439659
Energy: 0.6110649965332209
Energy: 0.7851633422887725
Energy: 0.7729498871829519
Energy: 0.7615020040183121
Energy: 0.7216632814869991
Energy: 0.7876033278896493

minimum gb energy = 0.5922438869359431 eV
minimum distance =  2.5353047671491 Angstroms
sigma value = 33