Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
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=3.560000121593475
cohesive_energy=4.400346012135227
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=[-6.3070484285727e-19, -6.83589489192342e-19, -1.7336352268197e-19, 2.6198311666177797e-19, 4.75580498976756e-19, 5.074429856971139e-19, 4.9400873462102395e-19, 5.080998781170539e-19, 5.33946191576742e-19, 5.622230069902079e-19, 5.891523918544799e-19, 6.13402937386704e-19, 6.34450731827562e-19, 6.52031416032444e-19, 6.66074494229454e-19, 6.76970897517288e-19, 6.852637637748719e-19, 6.914882199979619e-19, 6.961072952337839e-19, 6.99484683578256e-19, 7.018863463526219e-19, 7.0354780352208e-19, 7.04582809627644e-19, 7.0495771896e-19, 7.044674529099959e-19, 7.0264257372387e-19, 6.986611647883799e-19, 6.91400100283092e-19, 6.799333221135539e-19, 6.642432063367919e-19, 6.45646742145954e-19, 6.2680354275348e-19, 6.10756141587336e-19, 5.97222555559938e-19, 5.84022222272412e-19, 5.71691870897148e-19, 5.65196646822912e-19, 5.740743075519059e-19, 6.141383364617099e-19, 7.103923021025279e-19, 9.140305544605619e-19, 1.378115436088368e-18, 2.45536773513768e-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: 0.021433623120359402
Energy: 5.493866035195211
Energy: 5.493866035195211
Energy: 1.342385670430494
Energy: 1.048972892709634
Energy: 0.37165959670924303
Energy: 0.02409830888776875
Energy: 0.08114078966561179
Energy: 1.182955515717642
Energy: 0.27536240151191865
Energy: 0.9109993310595639
Energy: 2.1544454343290345
Energy: 0.02440734086719003
Energy: 0.08232828097467773
Energy: 0.022010286503842052
Energy: 1.1833431645933317
Energy: 0.554086486619958
Energy: 1.1835673176388743
Energy: 2.189331135242637
Energy: 0.08042225903578962
Energy: 0.08157276941026657
Energy: 0.02448208959856604
Energy: 4.847880267319662
Energy: 6.021650318360294
Energy: 1.3425727830013408
Energy: 1.0375986223321634
Energy: 0.08031955219760556
Energy: 0.024141983827077308
Energy: 0.37289204209871263
Energy: 1.1833894014067952
Energy: 0.276710579969055
Energy: 0.9079172685438021
Energy: 2.1636635375050157
Energy: 0.026584881135404456
Energy: 0.08046546293895382
Energy: 0.021878097803419986
Energy: 1.0207553166818568
Energy: 1.167052522467636
Energy: 1.1826093357284806
Energy: 0.8786114146788571
Energy: 0.08045809188310435
Energy: 0.08117987272292705

minimum gb energy = 0.021433623120359402 eV
minimum distance =  2.49676426546159 Angstroms
sigma value = 5


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

Energy: 1.6372351909126406
Energy: 2.2960231648555824
Energy: 1.6602842479072009
Energy: 2.3759840359239823
Energy: 1.5628378700473275
Energy: 1.4861620912036193
Energy: 2.0871441021679855
Energy: 1.4115006728610568
Energy: 1.5408480016752877
Energy: 1.4497209501495487
Energy: 1.5149019933174137
Energy: 1.5458421608730104
Energy: 1.4496582317884885
Energy: 1.5218447311283076
Energy: 2.3125767199439196
Energy: 1.4196552108478921
Energy: 2.329095240759454
Energy: 2.309546470515698
Energy: 2.0040497211203383
Energy: 2.321653423853071
Energy: 1.944006102767358
Energy: 1.43965196465241
Energy: 1.7209781876493924
Energy: 1.45566940034743
Energy: 1.4276138798764726
Energy: 1.4465531176642712
Energy: 1.4404640176125858
Energy: 1.712427502733852
Energy: 1.696503418901546
Energy: 1.4223259712957241
Energy: 1.5270628383301816
Energy: 1.4429706326726643
Energy: 1.5294949091893306
Energy: 1.7076083454704087
Energy: 1.6688633571826113
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Energy: 1.5190854131870049
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Energy: 1.5450812094595374
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Energy: 1.703859615203394
Energy: 1.52526467430399
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Energy: 1.4239768373790416
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Energy: 1.8849208877535102
Energy: 1.9698522496648894
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Energy: 1.6601453520192735
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Energy: 1.805214555996989
Energy: 1.8072705778124183
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Energy: 1.6705481927131474
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Energy: 1.558462496011711
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Energy: 1.672757969882835
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Energy: 2.3129429662273098
Energy: 1.8390665890729767
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Energy: 1.5087628704299325
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Energy: 2.2119426303491765
Energy: 1.5265731330532495
Energy: 1.6286541613088532
Energy: 1.5577412095249608
Energy: 1.4078064762158025
Energy: 1.5164133152293733
Energy: 1.5147505438544502
Energy: 1.450588335086626
Energy: 1.7471933170741911
Energy: 1.8818637645326264
Energy: 1.7519090779327677
Energy: 1.8085960455659225
Energy: 1.5389241514055902
Energy: 1.6018898028261495
Energy: 1.8385028756995725
Energy: 1.5279534441985025
Energy: 1.4550923106542852
Energy: 1.412374886708825
Energy: 1.4155177537660228
Energy: 1.5699097477382449
Energy: 1.5290366450631583
Energy: 1.6133256234515083
Energy: 1.6598236142271312
Energy: 2.123887175172196
Energy: 1.4755409141099116
Energy: 1.9873263792790548
Energy: 2.3263963541290855
Energy: 2.523411642289228
Energy: 2.31864480613764
Energy: 1.9908725052064624
Energy: 1.4692228942790453
Energy: 1.8853069439952683
Energy: 1.432693100104644
Energy: 1.489086701862088
Energy: 1.5932136297486517
Energy: 1.4281212558383376
Energy: 1.6627229973733684
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Energy: 1.498794307773602
Energy: 1.7028031397099754
Energy: 1.5758779082406125
Energy: 1.6289666097543607
Energy: 1.5504827980746414
Energy: 1.8044728697818864

minimum gb energy = 1.4058312606166226 eV
minimum distance =  1.64086721707946 Angstroms
sigma value = 401


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

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Energy: 2.1340793722862137
Energy: 1.5732156763814322
Energy: 1.475914868400762
Energy: 2.3416179328897337
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Energy: 1.638936572325706
Energy: 1.9637226058701591
Energy: 1.9694107781876562
Energy: 1.4715018804468463
Energy: 1.6852432489171603
Energy: 1.5174716471011167
Energy: 1.4771227815899077
Energy: 1.522321079055524
Energy: 1.6746099774882515
Energy: 1.5835506634608483
Energy: 1.662933482802447
Energy: 1.6934675878262933
Energy: 1.511111092192072
Energy: 1.6681275418228578
Energy: 1.549370287750145
Energy: 1.5293556662017904
Energy: 2.2954683743769393
Energy: 2.0097840063250247
Energy: 1.467285686953767
Energy: 1.5544650827931903
Energy: 1.4710741318601157
Energy: 1.493257121453635
Energy: 1.5891591888588785
Energy: 1.6509071435763663
Energy: 2.0044846905334803
Energy: 1.5307066928210942
Energy: 1.4753298745369836
Energy: 1.4558374614483651
Energy: 1.5132480506147512
Energy: 1.6462510239760537
Energy: 1.6970720716129382
Energy: 1.8766739600362063
Energy: 1.5384463530134305
Energy: 1.4772352704648792
Energy: 1.6590772633681248
Energy: 1.5366519257558042
Energy: 1.4745477808878211
Energy: 1.8333168054816802
Energy: 1.4991394736289456
Energy: 1.6113877288374288
Energy: 1.510042317510904
Energy: 1.5934201021741876
Energy: 1.6475877656150184
Energy: 2.0593024588101243
Energy: 1.8995949160751298
Energy: 1.6038591733934418
Energy: 1.6975205537041822
Energy: 1.6140466438406689
Energy: 1.4950589698062544
Energy: 1.5726970809236511
Energy: 1.5839633260725345
Energy: 1.5081668144970652
Energy: 1.4772997575866365
Energy: 1.58841457771084
Energy: 1.7073018219701193
Energy: 1.735171487148246
Energy: 1.537379897904671
Energy: 1.5364890756524958
Energy: 1.5240297406408978
Energy: 1.451391854646372
Energy: 1.6935738845786008
Energy: 2.1062007992130676
Energy: 1.4953733786033063
Energy: 1.7737805396885324
Energy: 1.4714593687777617
Energy: 1.5100633571053934
Energy: 1.4796080149511806
Energy: 1.4719954759529021
Energy: 1.4858259368744555
Energy: 1.6908739905296126
Energy: 1.8304092556992442
Energy: 1.8500125667115004
Energy: 1.5157090258924462
Energy: 1.4754015893487544
Energy: 1.6706414655469044
Energy: 1.5292205300079014
Energy: 1.5237310924599197
Energy: 1.4925823100244715
Energy: 1.6571681768936575
Energy: 1.8594676392197191
Energy: 1.5896484053475493
Energy: 1.6170611684571259
Energy: 1.787053490450626
Energy: 1.4922944795807478
Energy: 1.588031370995084
Energy: 1.7769647686334549
Energy: 1.8712046115959262
Energy: 1.9786274899264098
Energy: 1.7964234615236143
Energy: 1.672242179636764
Energy: 1.477566566587243
Energy: 1.4788322984037006
Energy: 1.7679086927616001
Energy: 1.5451209656953455
Energy: 1.5141530302382054
Energy: 1.5684103957427211
Energy: 1.4750817410764538

minimum gb energy = 1.4434403796025872 eV
minimum distance =  2.31884420556535 Angstroms
sigma value = 311


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

Energy: 1.6122769560763572
Energy: 1.5774541415266723
Energy: 1.8370596495566625
Energy: 1.4932649745023203
Energy: 1.810977919366934
Energy: 1.665859494912233
Energy: 1.9338455075243122
Energy: 1.5095900972635992
Energy: 1.6856382707358692
Energy: 1.5498603539680134
Energy: 1.723155270642141
Energy: 1.4840218670133902
Energy: 1.525718258377936
Energy: 1.5613827151179287
Energy: 1.6825005794321126
Energy: 1.7236222424182401
Energy: 1.6822862450115112
Energy: 1.5639869552748524
Energy: 2.1378513308607854
Energy: 1.6654549684984168
Energy: 1.493800691697303
Energy: 1.5576874102212164
Energy: 1.8089714025751955
Energy: 1.5401520451925166
Energy: 1.5086721953465023
Energy: 1.7439523176235165
Energy: 1.532922223882599
Energy: 1.7063171451750783
Energy: 1.6601510689498555
Energy: 1.7007280067066997
Energy: 1.692950006857388
Energy: 1.5842471365877373
Energy: 1.5681383394817232
Energy: 2.068517989648924
Energy: 1.5497522445248118
Energy: 1.4927878191476671
Energy: 1.5068979021620397
Energy: 1.5415749227979783
Energy: 1.5410361222448639
Energy: 1.546701660661494
Energy: 1.526367470651859
Energy: 1.5138951529505065
Energy: 1.5877675443904837
Energy: 1.5126872955040245
Energy: 1.8122073518386572
Energy: 1.470034300368138
Energy: 1.7095676788416903
Energy: 1.5068123535924323
Energy: 1.6262977201627018
Energy: 1.5249348246207606
Energy: 1.5558515915099174
Energy: 1.5250362471115226
Energy: 1.7781138276180821
Energy: 1.5426716800965454
Energy: 1.908338216070326
Energy: 1.6111676930148104
Energy: 1.7848747632924817
Energy: 1.6813985557624997
Energy: 1.6291568794803106
Energy: 1.6250765761333426
Energy: 2.419383062453206
Energy: 1.7342516373648234
Energy: 1.5938471558771912
Energy: 1.5375415290231524
Energy: 1.777576698055019
Energy: 1.5026782325870474
Energy: 1.5738650343570884
Energy: 2.1322037972154724
Energy: 1.5433035860531388
Energy: 1.7398058334774302
Energy: 1.6550901267930778
Energy: 1.5938212091770292
Energy: 1.5412199822795627
Energy: 1.5858925134662605
Energy: 1.5703539588035096
Energy: 1.965659865621885
Energy: 1.7111298051628685
Energy: 1.5280335037600554
Energy: 1.5077157585036187
Energy: 1.5184542205619456
Energy: 1.7318081788142645
Energy: 1.5304585596222848
Energy: 1.497424821004469
Energy: 1.5012905873759919
Energy: 1.7505793186113343
Energy: 1.6360783051097838
Energy: 1.804906124221074
Energy: 1.5184056104125159
Energy: 1.5690990423092914
Energy: 1.6483038084612456
Energy: 1.5884843972872809
Energy: 1.8765301329316726
Energy: 1.7351332549291816
Energy: 1.5314151392008675
Energy: 1.5955345386884163
Energy: 1.5183518708512451
Energy: 1.729495841363828
Energy: 1.6933327371029576
Energy: 1.7447764735178044
Energy: 1.5678902348319084
Energy: 1.901457354967378
Energy: 1.4446377492854903
Energy: 1.4920332478835492
Energy: 1.6049400262155207
Energy: 1.5254225848127814
Energy: 1.5254679253852896
Energy: 1.88246037585943
Energy: 1.4987713657612158
Energy: 1.5125830408068481
Energy: 1.9103198173655036
Energy: 1.493059015147258
Energy: 1.644610618034069
Energy: 1.5343419111544452
Energy: 1.5908408139418169
Energy: 1.6292934134502082
Energy: 1.9795940586439211
Energy: 1.5535157171541465
Energy: 1.9427299626601564
Energy: 1.5461462880713204
Energy: 1.5007237993901261
Energy: 1.5362600358189111
Energy: 1.490114500855694
Energy: 1.7579992264794462
Energy: 1.5449465933420328
Energy: 1.4809854881024942
Energy: 1.5997452192558819
Energy: 1.832834281187753
Energy: 1.5763825604404498
Energy: 1.7433216870754613
Energy: 1.508544461592704
Energy: 1.4981973419533912
Energy: 1.5592031692863941
Energy: 1.56397865180517
Energy: 1.9496898040574921
Energy: 1.5816217455730768
Energy: 1.8836089374360176
Energy: 1.648613373965295
Energy: 1.6150864193981842
Energy: 1.7458404965720213
Energy: 1.6696396721900333
Energy: 1.91741475075799
Energy: 1.777544139820758
Energy: 1.7885724387232451
Energy: 1.4866327792286989
Energy: 1.4864759557209917
Energy: 1.7597920904171582
Energy: 1.47907929660211
Energy: 1.4955879496242104
Energy: 1.770189310625504
Energy: 1.5697470516650465
Energy: 1.5091986096072767
Energy: 1.9152794261603996
Energy: 1.79396797219102
Energy: 1.584572583812596
Energy: 1.5095832143400592
Energy: 1.5973663248414574
Energy: 1.5506339221336538
Energy: 1.9400734043699153
Energy: 1.6374959413426664
Energy: 1.519965187614774
Energy: 1.543430699084279
Energy: 1.657205335790105
Energy: 1.8844658020107008
Energy: 1.4697776497581698
Energy: 1.5103993437550565
Energy: 1.8498136529495073
Energy: 1.718806742672381
Energy: 1.6469732608969805
Energy: 1.7659068618533382
Energy: 1.7814080947793676
Energy: 1.8451799263693425
Energy: 1.4977676250567271
Energy: 1.5619207951340082
Energy: 1.5296614686928338
Energy: 1.4979315010380758
Energy: 1.9999056756326978
Energy: 1.7321578329082106
Energy: 1.5617795082274115
Energy: 1.6028371522392133
Energy: 1.5590851127581629
Energy: 1.7593364942088698
Energy: 1.741955312074663
Energy: 1.7920532807196161
Energy: 1.618434523750244
Energy: 1.7682780459675977
Energy: 1.4854001616338777
Energy: 1.4891578254047657
Energy: 1.7067018495102775
Energy: 1.5739230489178937
Energy: 1.7334430086309234
Energy: 1.5039303983924728
Energy: 1.5987795478668065
Energy: 1.9212663236986987
Energy: 1.5630424030078962
Energy: 1.5926965652055238
Energy: 1.612779246137387
Energy: 1.6301008313922136
Energy: 1.5901400789075153
Energy: 1.5570423145858523
Energy: 1.7157255647677707
Energy: 1.5253200557378845
Energy: 1.5093882345414371
Energy: 1.7640385283727917
Energy: 1.680029238700388
Energy: 1.745680839064813
Energy: 1.5305517046752826
Energy: 1.462088794870175
Energy: 1.929353776344202
Energy: 1.5815781843032142
Energy: 1.814891492909139
Energy: 1.83263375748994
Energy: 1.4997666992475447
Energy: 1.5217916160887663
Energy: 1.5047409495768733
Energy: 1.5265705578319215
Energy: 1.4870403569541932
Energy: 1.5113724006855138
Energy: 1.7394390698529603
Energy: 1.5726188944774813
Energy: 1.5158720318716101
Energy: 1.6797870174684355
Energy: 1.5265085947439276
Energy: 1.849503870707938
Energy: 1.8978972594083316
Energy: 1.7431205030960042
Energy: 1.5040860405671812
Energy: 1.8787840378532723
Energy: 1.6177464444038023
Energy: 1.5085523963380805
Energy: 1.538854775600603
Energy: 1.5788280139251893
Energy: 1.6537045582459722
Energy: 1.4939696022605442
Energy: 1.6552245341840957
Energy: 1.6320939246082347
Energy: 1.637082317406428
Energy: 1.5540080286058864
Energy: 1.5583092557416025
Energy: 1.5419243356430694
Energy: 1.6088170979626275
Energy: 1.5435055699814892
Energy: 1.6269962534108025
Energy: 1.659275764546787
Energy: 1.846958934926417
Energy: 1.561120433282746
Energy: 1.592815345310453
Energy: 1.978292585266727
Energy: 1.5963432337813104
Energy: 1.492184185528796
Energy: 1.8166354144858612
Energy: 1.6350798425906705
Energy: 1.6041665549696584

minimum gb energy = 1.4446377492854903 eV
minimum distance =  2.29923665563007 Angstroms
sigma value = 39


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

Energy: 1.4539001487087189
Energy: 2.179954041650708
Energy: 1.964698235285613
Energy: 1.7893367317692512
Energy: 1.6091845061435273
Energy: 1.5858328172962843
Energy: 1.4027626818047276
Energy: 1.494214006375895
Energy: 1.526045079111055
Energy: 1.5963496221737732
Energy: 1.6215913017773291
Energy: 1.52072378603668
Energy: 1.4990539336447035
Energy: 1.5641773286170275
Energy: 2.4553941698602633
Energy: 1.529842596173225
Energy: 1.5204140777598856
Energy: 1.6044021009488798
Energy: 1.5217716932862018
Energy: 1.5015730695764649
Energy: 1.5609966531525743
Energy: 1.4974728820928849
Energy: 1.4890576898633945
Energy: 1.5937853879963155
Energy: 1.497157564537797
Energy: 1.6093167625100162
Energy: 1.5850577678846707
Energy: 1.5619724909584736
Energy: 1.8204340046050267
Energy: 1.4884634813475632
Energy: 1.6046479392168773
Energy: 1.4614764119429666
Energy: 1.5891353278388325
Energy: 1.5902149524212186
Energy: 1.495018168998865
Energy: 1.4026670659387368
Energy: 1.4922632252393968
Energy: 1.4601965581718825
Energy: 1.5972184257714637
Energy: 1.529658773918379
Energy: 1.5193304108928034
Energy: 1.5064951952479566
Energy: 2.1502866514744055
Energy: 1.53837100734469
Energy: 1.4572915169433502
Energy: 1.6078296603564495
Energy: 1.4032521419974429
Energy: 1.4067225114145758
Energy: 1.4948111722490856
Energy: 1.4081901722132262
Energy: 1.5277853290186745
Energy: 1.6118809120907456
Energy: 1.435283142548134
Energy: 1.627737089086573
Energy: 1.589000565824809
Energy: 1.5042201236694357
Energy: 1.4053667179073284
Energy: 1.5293465400610153
Energy: 1.6168580624895115
Energy: 1.5074969398144697
Energy: 1.5270996869288787
Energy: 1.5939662217642865
Energy: 1.5038231265707918
Energy: 1.5752238783560444
Energy: 1.5138799322444683
Energy: 1.5863551091614854
Energy: 1.608187014040006
Energy: 1.5215106372732468
Energy: 1.4965872427891838
Energy: 1.55509204424879
Energy: 1.499419849105266
Energy: 1.4706591506546975
Energy: 1.4721775459826536
Energy: 1.5980275826718175
Energy: 1.550547797312124
Energy: 1.525879335967456
Energy: 1.5617153861645443
Energy: 1.511465216547101
Energy: 1.4895682878797525
Energy: 1.5997058388728471
Energy: 1.4717455348705724
Energy: 1.6129451030919382
Energy: 1.5861784210414793
Energy: 1.502771596248492
Energy: 1.4055225321237477
Energy: 1.4916966965772456
Energy: 1.615100806819662
Energy: 1.4615326230442474
Energy: 1.6171532738025198
Energy: 1.5898907325724505
Energy: 1.4929754071346066
Energy: 2.163361877290532
Energy: 1.4689083326727816
Energy: 1.459934061905008
Energy: 1.8946991216605347
Energy: 1.4031419858297915
Energy: 1.406068496173269
Energy: 1.4953774721863944
Energy: 1.4030691335693743
Energy: 1.505720648223508
Energy: 1.4566456689204301
Energy: 1.580532743523616
Energy: 1.4029550692430524
Energy: 1.4032779675867404
Energy: 1.5065730847768333
Energy: 1.4036662146888699
Energy: 1.5252197934657008
Energy: 1.5811776870442653
Energy: 1.4635631476687203
Energy: 1.6096065267082647
Energy: 1.5866979035032698
Energy: 1.4026729273648098
Energy: 1.5078131843203655
Energy: 1.526274701581388
Energy: 1.5841236746098704
Energy: 1.6211403516208986
Energy: 1.5188782027386494
Energy: 1.5001593464417815
Energy: 1.5638425324927996
Energy: 2.4477783481055786
Energy: 1.5299065790661002
Energy: 1.5852761722572077
Energy: 1.6040719758339061
Energy: 1.5231414968585841
Energy: 1.5010486125962823
Energy: 1.5607165639943192
Energy: 1.497881186471129
Energy: 1.4893552666722383
Energy: 1.5929860140204306
Energy: 1.4980274742408581
Energy: 1.6157994503848065
Energy: 1.5847586114700327
Energy: 1.5627816935418875
Energy: 1.8206375276775066
Energy: 1.4885161922271943
Energy: 1.6109836918060907
Energy: 1.4629008226243663
Energy: 1.6182519116819747
Energy: 1.5870250036330968
Energy: 1.4945382075361406
Energy: 1.402684583762981
Energy: 1.4923134993852174
Energy: 1.45992867541561
Energy: 1.4690615716724869
Energy: 1.5499546184475967
Energy: 1.4346763062536458
Energy: 1.5081453748645244
Energy: 1.575324468021104
Energy: 2.2135944588309333
Energy: 1.4576690793959717
Energy: 1.6075550517422381
Energy: 1.402840785944799
Energy: 1.4068080892072794
Energy: 1.5626305430420941
Energy: 1.40349210908792
Energy: 1.524635121772281
Energy: 1.624967122963486
Energy: 1.435079564357164
Energy: 1.6242423567581148
Energy: 1.5893426353533433
Energy: 1.5043142238491212
Energy: 1.4046956926235121
Energy: 1.5260966930998205
Energy: 1.614742403788348
Energy: 1.4719447507069063
Energy: 1.5270109313662859
Energy: 1.5952365539033742
Energy: 1.503900554400884
Energy: 1.5759891385619504
Energy: 1.5122676316368435
Energy: 1.5862178260144284
Energy: 1.6074974585978463
Energy: 1.5200232581681101
Energy: 1.4970669981588705
Energy: 1.5551926990291058
Energy: 1.4994015653171846
Energy: 1.4712594632614928
Energy: 1.5952155415173714
Energy: 1.5979385599217433
Energy: 1.5221854780295232
Energy: 1.4603434638305035
Energy: 1.5616090400650262
Energy: 1.524834895802324
Energy: 1.4898552444009125
Energy: 1.6006917449495512
Energy: 1.5350439835336678
Energy: 1.6138207815260357
Energy: 1.585887339289683
Energy: 1.503245205942053
Energy: 1.4065553097884362
Energy: 1.4908723044133207
Energy: 1.612778319518053
Energy: 1.460941912842338
Energy: 1.5926071387349254
Energy: 1.590366969446935
Energy: 1.4930112154504591
Energy: 2.1910782556211226
Energy: 1.4685932713632381
Energy: 1.4599103652142866
Energy: 1.8938465389215855
Energy: 1.4031144131466753
Energy: 1.4061961037200166
Energy: 1.496027933002927
Energy: 1.4024253516144614
Energy: 1.5150098101266702
Energy: 1.4569185179486015
Energy: 1.4428492260968815
Energy: 1.4027542251231235
Energy: 1.4034326484437838
Energy: 1.5040551819521164

minimum gb energy = 1.4024253516144614 eV
minimum distance =  2.31170687311633 Angstroms
sigma value = 21


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

Energy: 2.2217091867894805
Energy: 2.4436035214940843
Energy: 1.5435271136870978
Energy: 2.185229239677683
Energy: 1.4384581327038866
Energy: 1.4383173991101397
Energy: 2.1108576072735183
Energy: 1.4479217121221444
Energy: 1.883699047667418
Energy: 2.545054785132417
Energy: 1.8488811341641633
Energy: 1.7485483133630138
Energy: 2.159872256962453
Energy: 1.8576455623112518
Energy: 1.4398684945423021
Energy: 1.4408900124546178
Energy: 1.4537676366893386
Energy: 1.4541499149177706
Energy: 1.8232721579333087
Energy: 1.7846351282165052
Energy: 1.8453217489418798
Energy: 2.1837211924292763
Energy: 1.5069030683166929
Energy: 1.4717326961391817
Energy: 1.5334099021951868
Energy: 1.780475306576957
Energy: 1.4404362722194923
Energy: 1.8649715560290632
Energy: 1.4216989328790957
Energy: 1.3930999897539424
Energy: 1.5389549752427385
Energy: 1.487281495621924
Energy: 1.3928825050289517
Energy: 2.132723493665955
Energy: 1.4726661191934656
Energy: 1.390753081175643
Energy: 1.4760531213047352
Energy: 1.7514797988014732
Energy: 1.4702818780713223
Energy: 1.4027643282293705
Energy: 1.4678038927161599
Energy: 1.5094865615648014
Energy: 1.8362366178657343
Energy: 2.118086811591057
Energy: 1.4372962360579875
Energy: 1.4725557663317967
Energy: 1.3945688043812556
Energy: 1.391256410358507
Energy: 1.5255295921392829
Energy: 1.438868372383961
Energy: 1.3933459522898026
Energy: 1.537655626034174
Energy: 1.5402281540706264
Energy: 1.7159000157119977
Energy: 1.4220680881594272
Energy: 1.4731902833241337
Energy: 1.4483045973375686
Energy: 1.475474346518369
Energy: 1.8425161471228098
Energy: 1.9589652133559623
Energy: 1.4061742941714883
Energy: 1.8704870735984507
Energy: 1.500775635956084
Energy: 1.7827252269373555
Energy: 1.8024878871115309
Energy: 1.481141975651776
Energy: 1.511729178926007
Energy: 1.478067649832685
Energy: 1.4365262526400702
Energy: 2.359295396452514
Energy: 1.541162245609193
Energy: 1.5376477667472055
Energy: 2.1081569328244116
Energy: 1.5429076889556586
Energy: 1.752081467205755
Energy: 2.089413020631154
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Energy: 1.7129874794080115
Energy: 1.444516759167093
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Energy: 1.4931401303329435
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Energy: 1.472244974808638
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Energy: 1.4001458073391182
Energy: 1.9198566966526063
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Energy: 1.394902407297488
Energy: 1.390773144835403
Energy: 1.4766457287268997
Energy: 2.40793604001721
Energy: 1.3933037154986527
Energy: 1.742914037626629
Energy: 1.5443890513817795
Energy: 1.7238722903201122
Energy: 1.7529588946194472
Energy: 1.471380443841353
Energy: 1.4372975828908277
Energy: 1.4768504432368068
Energy: 1.9901706856899497
Energy: 1.5002109164455641
Energy: 1.425889261218511
Energy: 1.8391196793368614
Energy: 1.5007664291939287
Energy: 2.0705698496459637
Energy: 2.1635355360874513
Energy: 1.4825280770579314
Energy: 1.5551060014700864
Energy: 1.4741242745851977
Energy: 1.5541795825601112
Energy: 1.4930567106854635
Energy: 2.159434204743035
Energy: 1.481640435906144
Energy: 2.1470493212853277
Energy: 1.885351390024261
Energy: 1.9545537215091868
Energy: 1.4790883614543129
Energy: 1.4233091776594569
Energy: 1.4370660069171237
Energy: 1.4745662135499222
Energy: 1.7977742779530543
Energy: 2.3273912943705835
Energy: 2.106483129471202
Energy: 2.090101318949928
Energy: 1.858100018789296
Energy: 2.0899818334267413
Energy: 1.4723104859243787
Energy: 1.4254539249983271
Energy: 1.6243403551981608
Energy: 1.9136003183630432
Energy: 1.4558742089331
Energy: 1.4678111715660254

minimum gb energy = 1.390753081175643 eV
minimum distance =  2.31165072363025 Angstroms
sigma value = 113


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

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Energy: 2.5614049037795925
Energy: 2.2049645306525374
Energy: 2.2869080910125787
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Energy: 2.4933018591014995
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Energy: 2.011436573058905
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Energy: 1.7313032586649364
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Energy: 1.66145923307564
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Energy: 1.8809235546555723
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Energy: 1.6883202718321475
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Energy: 1.8565137641403924
Energy: 1.677061400300527
Energy: 2.0436659564572204
Energy: 2.0770105411416235
Energy: 1.5024235536015975
Energy: 2.1117947986231265
Energy: 1.8115655862871165
Energy: 1.949510396805341
Energy: 2.0825432029002937
Energy: 1.9304905252970024
Energy: 2.2559244427500404
Energy: 2.1626234140279554
Energy: 1.922212093254274
Energy: 2.2818369769172135
Energy: 1.7924296374263502
Energy: 2.3809946916037936
Energy: 1.4311578149228972
Energy: 1.5449948824546214
Energy: 2.199469214997158
Energy: 1.971740179087627
Energy: 1.928626977364713
Energy: 2.29954310479489
Energy: 1.8631188710306539
Energy: 2.0206700703667138
Energy: 1.5342033213711959
Energy: 2.1825083874712474
Energy: 1.9753573776953333
Energy: 1.8555036429643876
Energy: 1.765594154646463
Energy: 2.24312997054733
Energy: 2.1436294261922266
Energy: 2.3245741820867196
Energy: 2.1500231881135226
Energy: 1.9328386759239018
Energy: 2.557031679586763

minimum gb energy = 1.3344868805422168 eV
minimum distance =  1.62260117799078 Angstroms
sigma value = 365


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

Energy: 1.6684721066162926