Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_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=3.647307395935058
cohesive_energy=4.1514736222019355
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.019324163467070197
Energy: 1.7487285452850683
Energy: 0.9934876068218534
Energy: 1.748488029813789
Energy: 0.019324163468048418
Energy: 1.748728545283587
Energy: 0.7326171142230097
Energy: 0.7320566725977797
Energy: 0.019824469397203802
Energy: 0.29380477695804796
Energy: 0.01970755149666598
Energy: 0.7320566725980312
Energy: 0.01982446939818203
Energy: 0.29380477695927776
Energy: 0.01932416346681865
Energy: 1.7487285452843135
Energy: 1.6932665172855481
Energy: 1.7484880298135657
Energy: 0.019324163468048418
Energy: 1.7487285452830839
Energy: 0.7326171142227861
Energy: 0.7320566725980312
Energy: 0.019824469396952257
Energy: 0.293804776958551
Energy: 0.019707551497141117
Energy: 0.7320566725977797
Energy: 0.01982446939818203
Energy: 0.2938047769597808
Energy: 0.01932416346681865
Energy: 1.7487285452845651
Energy: 0.7326171142232613
Energy: 1.748488029813314
Energy: 0.01932416346782483
Energy: 1.748728545283587
Energy: 0.7326171142230097
Energy: 0.7320566725972766
Energy: 0.019824469397706893
Energy: 0.29380477695829954
Energy: 0.019707551496414434
Energy: 0.7320566725975282
Energy: 0.019824469397706893
Energy: 0.2938047769595293

minimum gb energy = 0.01932416346681865 eV
minimum distance =  2.5575869491876 Angstroms
sigma value = 5


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

Energy: 1.5567616612419213
Energy: 1.6011160620574958
Energy: 1.5062825732140923
Energy: 1.6010278164357044
Energy: 1.556761661244926
Energy: 1.6011160620574958
Energy: 1.5358216968110499
Energy: 1.5471954037302482
Energy: 1.5276344452831572
Energy: 1.6180447827562223
Energy: 1.559352873395527
Energy: 1.5471954037392623
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Energy: 1.6180447827442033
Energy: 1.4858448707647205
Energy: 1.4523252761383088
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Energy: 1.4523252761322991
Energy: 1.6411930179141514
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Energy: 1.5574922320172455
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Energy: 1.6004709289161176
Energy: 1.5574922320232552
Energy: 1.6181686008246665
Energy: 1.4643224929139265
Energy: 1.4112258390430157
Energy: 1.6236721707522526
Energy: 1.5365877034618718
Energy: 1.4643224929109215
Energy: 1.4112258390460206
Energy: 1.6236721707492476
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Energy: 1.5073588527642858
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Energy: 1.6228606984776268
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Energy: 1.440419963353729
Energy: 1.4860830541704757
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Energy: 1.6858750437580465
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Energy: 1.460608178359253
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Energy: 1.4173378447393548
Energy: 1.4352503533493894
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Energy: 1.5717388165588537
Energy: 1.5414978649120168
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Energy: 1.6323019036956194
Energy: 1.5808241460481747
Energy: 1.5848452905663488
Energy: 1.5404763403480368
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Energy: 1.6030654923708183
Energy: 1.552764066233778
Energy: 1.5295842033534295
Energy: 1.5228089639158089
Energy: 1.6030654923738232
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Energy: 1.504426171040518
Energy: 1.5588881345723524
Energy: 1.4334961939858764
Energy: 1.5190387361180597
Energy: 1.5044261710435227
Energy: 1.5588881345753571
Energy: 1.6824114931157657
Energy: 1.5523275994115855
Energy: 1.5498766100700998
Energy: 1.5813696130343866
Energy: 1.6824114931157657
Energy: 1.5523275994115855
Energy: 1.5498766100670949
Energy: 1.4974377823534155
Energy: 1.5310999361051016
Energy: 1.527104016598686
Energy: 1.5388702510446355
Energy: 1.4974377823474059
Energy: 1.5310999361111113
Energy: 1.527104016598686
Energy: 1.4238263153803759
Energy: 1.4898912145068632
Energy: 1.6390601163223215
Energy: 1.4656092617140262
Energy: 1.4238263153773707
Energy: 1.4898912145098677
Energy: 1.6390601163133074
Energy: 1.455022130682378
Energy: 1.5212624360878255
Energy: 1.7081476434772969
Energy: 1.5845451371529342
Energy: 1.455022130682378
Energy: 1.5212624360908304
Energy: 1.708147643480302
Energy: 1.4147130374569024
Energy: 1.5724274322877558
Energy: 1.587528772528233
Energy: 1.503410180955886
Energy: 1.4147130374538974
Energy: 1.5724274322847511
Energy: 1.5875287725312375

minimum gb energy = 1.4112258390430157 eV
minimum distance =  2.30062662553729 Angstroms
sigma value = 401


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

Energy: 1.583144344770027
Energy: 1.7289803832637611
Energy: 1.5851299559960266
Energy: 1.6006504327431423
Energy: 1.5831443447666165
Energy: 1.7289803832637611
Energy: 1.5851299559926157
Energy: 1.4770755737542436
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Energy: 1.5775529907487642
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Energy: 1.534940017290413
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Energy: 1.5775529907453538
Energy: 1.5261795742738338
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Energy: 1.587054492503707
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Energy: 1.5870544925002958
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Energy: 1.4439886340859658
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Energy: 1.6318319335420333
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Energy: 1.7455954796739532
Energy: 1.5073416616324444
Energy: 1.4680656454586365
Energy: 1.5074641442554424
Energy: 1.7455954796773636
Energy: 1.4688093151666874
Energy: 1.5095718341259858
Energy: 1.7019697029134793
Energy: 1.5231434891731275
Energy: 1.4688093151666874
Energy: 1.5095718341293343
Energy: 1.70196970291689
Energy: 1.4374729234644446
Energy: 1.5272319873685283
Energy: 1.5653421868333652
Energy: 1.5585129858148197
Energy: 1.4374729234678552
Energy: 1.5272319873685283
Energy: 1.5653421868333652
Energy: 1.51477821066598
Energy: 1.5961918768412486
Energy: 1.5349400172938237
Energy: 1.5453170002900265
Energy: 1.5147782106625693
Energy: 1.5961918768412486
Energy: 1.5349400172938237
Energy: 1.5382428425143277
Energy: 1.551551296379415
Energy: 1.5995696799987995
Energy: 1.5576141894598368
Energy: 1.5382428425143277
Energy: 1.5515512963760043
Energy: 1.5995696799953887
Energy: 1.538240856576931
Energy: 1.484108686931162
Energy: 1.6803376358420057
Energy: 1.5773986313136485
Energy: 1.538240856576931
Energy: 1.484108686931162
Energy: 1.6803376358420057
Energy: 1.4641614348914598
Energy: 1.503385637582692
Energy: 1.7672267297526505
Energy: 1.6634506165407186
Energy: 1.4641614348880492
Energy: 1.5033856375792813
Energy: 1.7672267297559994
Energy: 1.4715693147328666
Energy: 1.7289803832637611
Energy: 1.5929476091408676
Energy: 1.6006504327431423
Energy: 1.471569314739688
Energy: 1.7289803832637611
Energy: 1.5929476091442787
Energy: 1.4770755737542436
Energy: 1.5987482774486879
Energy: 1.7159501774851087
Energy: 1.515052265260574
Energy: 1.4770755737610655
Energy: 1.5987482774486879
Energy: 1.7159501774885195

minimum gb energy = 1.4374729234644446 eV
minimum distance =  2.2986893840095 Angstroms
sigma value = 311


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

Energy: 1.7238292844804983
Energy: 1.5995323028641095
Energy: 1.7022106799594559
Energy: 1.6765102110614911
Energy: 1.7238292844789227
Energy: 1.5995323028648971
Energy: 1.6435339838622438
Energy: 1.655667760279131
Energy: 1.6701234514886336
Energy: 1.6038929274153375
Energy: 1.5997939197037452
Energy: 1.655667760278343
Energy: 1.6701234514874523
Energy: 1.603892927414156
Energy: 1.6452146738880873
Energy: 1.5994092755037457
Energy: 1.5869673554495194
Energy: 1.5727503515979608
Energy: 1.6452146738892688
Energy: 1.599409275504927
Energy: 1.5869673554361288
Energy: 1.5576723294949368
Energy: 1.6126983701089341
Energy: 1.7631112835312361
Energy: 1.489714282289494
Energy: 1.5576723294949368
Energy: 1.6126983701077524
Energy: 1.7631112835328115
Energy: 1.5906947554075028
Energy: 1.6656973104843353
Energy: 1.747594176567746
Energy: 1.6965723644625967
Energy: 1.5906947554086843
Energy: 1.6656973104831536
Energy: 1.7475941765665648
Energy: 1.6142303114049936
Energy: 1.568862687303479
Energy: 1.693819353158667
Energy: 1.566714164140819
Energy: 1.6142303114046
Energy: 1.5688626873050544
Energy: 1.693819353160636
Energy: 1.6030932488547676
Energy: 1.6948630097868866
Energy: 1.687027905456061
Energy: 1.5972985884431998
Energy: 1.60309324885398
Energy: 1.694863009786099
Energy: 1.687027905455667
Energy: 1.650088262405481
Energy: 1.6852056576935703
Energy: 1.718209476393269
Energy: 1.5118743667737702
Energy: 1.6500882624066626
Energy: 1.6852056576951457
Energy: 1.7182094763912998
Energy: 1.6085215309512535
Energy: 1.576450447291279
Energy: 1.6945836895254618
Energy: 1.5911969018165446
Energy: 1.608521530951647
Energy: 1.5764504472928542
Energy: 1.6945836895266437
Energy: 1.5621837908721634
Energy: 1.5583604995242686
Energy: 1.7083332562478593
Energy: 1.7065088348109705
Energy: 1.562183790873345
Energy: 1.5583604995246623
Energy: 1.7083332562478593
Energy: 1.6124641606246681
Energy: 1.5934225669255009
Energy: 1.653149991728812
Energy: 1.546464948941954
Energy: 1.6124641606238803
Energy: 1.5934225669266826
Energy: 1.653149991728812
Energy: 1.6373573300379107
Energy: 1.6090641235156529
Energy: 1.7465791754057967
Energy: 1.6940154114643398
Energy: 1.6373573300375166
Energy: 1.6090641235168341
Energy: 1.7465791754050093
Energy: 1.6108374651394195
Energy: 1.576514669485856
Energy: 1.702584675764571
Energy: 1.5957262925400302
Energy: 1.610837465140995
Energy: 1.576514669485856
Energy: 1.702584675764571
Energy: 1.5684354021961846
Energy: 1.6649310361736225
Energy: 1.7399747134332884
Energy: 1.5740682888654773
Energy: 1.568435402197366
Energy: 1.6649310361720469
Energy: 1.7399747134332884
Energy: 1.6178316669857957
Energy: 1.647515316902986
Energy: 1.703243488362613
Energy: 1.517297641623119
Energy: 1.617831666988159
Energy: 1.6475153169021979
Energy: 1.7032434883634007
Energy: 1.5929272035262227
Energy: 1.649385297784522
Energy: 1.6650626852679595
Energy: 1.6085799833385772
Energy: 1.5929272035274045
Energy: 1.6493852977853096
Energy: 1.6650626852699288
Energy: 1.6520724122790609
Energy: 1.5654602138769265
Energy: 1.6684286462649098
Energy: 1.5543746397226221
Energy: 1.6520724122794546
Energy: 1.5654602138773206
Energy: 1.6684286462653037
Energy: 1.5925442342800273
Energy: 1.7217811836190993
Energy: 1.7555508605626122
Energy: 1.5636182932592375
Energy: 1.5925442342816025
Energy: 1.7217811836183117
Energy: 1.7555508605630061
Energy: 1.5835510713970247
Energy: 1.6544655791234977
Energy: 1.7203584564107743
Energy: 1.5135036532656923
Energy: 1.5835510713985999
Energy: 1.65446557912271
Energy: 1.720358456409987
Energy: 1.5943050594040862
Energy: 1.5995292974637547
Energy: 1.6906010512520473
Energy: 1.5920981581680957
Energy: 1.5943050594025108
Energy: 1.5995292974641488
Energy: 1.6906010512528349
Energy: 1.6053099451442308
Energy: 1.5753563011883818
Energy: 1.6811246547837984
Energy: 1.6659096542303513
Energy: 1.6053099451438368
Energy: 1.575356301189957
Energy: 1.6811246547830108
Energy: 1.5904520701959841
Energy: 1.5316083591962801
Energy: 1.6594978019875415
Energy: 1.5874831886735812
Energy: 1.5904520701959841
Energy: 1.531608359196674
Energy: 1.659497801985966
Energy: 1.652637176603021
Energy: 1.5495811345263155
Energy: 1.7545620003376599
Energy: 1.6861992361850484
Energy: 1.6526371766026275
Energy: 1.549581134527497
Energy: 1.754562000339235
Energy: 1.5885707810931882
Energy: 1.5464394734508777
Energy: 1.7120318366420992
Energy: 1.6348035953828175
Energy: 1.5885707810920067
Energy: 1.5464394734516653
Energy: 1.7120318366428868
Energy: 1.6965643684579532
Energy: 1.6156252622509593
Energy: 1.779149221383187
Energy: 1.599465643610284
Energy: 1.6965643684583473
Energy: 1.6156252622509593
Energy: 1.7791492213835811
Energy: 1.6378674273440663
Energy: 1.62135788954148
Energy: 1.575143970997532
Energy: 1.5927978067421864
Energy: 1.6378674273440663
Energy: 1.621357889539117
Energy: 1.5751439709967443
Energy: 1.68261173896772
Energy: 1.6548966853960307
Energy: 1.663606981480716
Energy: 1.6878369242068787
Energy: 1.6826117389669322
Energy: 1.6548966853948492
Energy: 1.6636069814818975
Energy: 1.6194485086292765
Energy: 1.6768532430250833
Energy: 1.6242735255099785
Energy: 1.6002773969951922
Energy: 1.619448508630064
Energy: 1.6768532430246892
Energy: 1.624273525510766
Energy: 1.6975345681215184
Energy: 1.5722076086442436
Energy: 1.6597443909934686
Energy: 1.5937835167410512
Energy: 1.6975345681211245
Energy: 1.572207608643062
Energy: 1.6597443909914993
Energy: 1.5910453910729507
Energy: 1.6163347627174094
Energy: 1.661365169951174
Energy: 1.49343496038426
Energy: 1.5910453910717695
Energy: 1.616334762716228
Energy: 1.6613651699515681
Energy: 1.6615333670352797
Energy: 1.6530765890203032
Energy: 1.7419243996253468
Energy: 1.6172170143825242
Energy: 1.661533367031735
Energy: 1.6530765890203032
Energy: 1.7419243996253468
Energy: 1.6175979252112207
Energy: 1.6043191037231468
Energy: 1.6278037653523094
Energy: 1.5182235185447435
Energy: 1.6175979252135837
Energy: 1.6043191037247222
Energy: 1.6278037653495525
Energy: 1.5658047500527068
Energy: 1.7012597636491957
Energy: 1.6654435539810335
Energy: 1.5944126140541914
Energy: 1.5658047500538883
Energy: 1.701259763650771
Energy: 1.6276167122998009
Energy: 1.5932686165471857
Energy: 1.6101588263972568
Energy: 1.7580874379722304
Energy: 1.5620313413389066
Energy: 1.5932686165471857
Energy: 1.6101588263996196
Energy: 1.7580874379698672
Energy: 1.588871593256553
Energy: 1.5739505125129445
Energy: 1.6964635113799942
Energy: 1.6116504330735923
Energy: 1.588871593256553
Energy: 1.5739505125121567
Energy: 1.6964635113796003
Energy: 1.56821586259334
Energy: 1.5542595569994404
Energy: 1.6733991081333899
Energy: 1.6381904285274191
Energy: 1.56821586259334
Energy: 1.5542595569982591
Energy: 1.6733991081322086

minimum gb energy = 1.489714282289494 eV
minimum distance =  2.29373871078924 Angstroms
sigma value = 39


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

Energy: 1.4961009381725157
Energy: 1.6044067373270643
Energy: 1.6063120194639002
Energy: 1.60447355222376
Energy: 1.49610093817391
Energy: 1.6044067373279938
Energy: 1.6700181660876816
Energy: 1.531114647450446
Energy: 1.607888568307119
Energy: 1.4011577591290973
Energy: 1.6368899611656194
Energy: 1.531114647449516
Energy: 1.607888568307119
Energy: 1.4011577591295619
Energy: 1.4960943571200316
Energy: 1.499511999245612
Energy: 1.5583735017715796
Energy: 1.809102852350302
Energy: 1.496094357122356
Energy: 1.4995119992465415
Energy: 1.6434270607800754
Energy: 1.4927251488747109
Energy: 1.5933353660843894
Energy: 1.398274651045487
Energy: 1.4554041503158275
Energy: 1.4927251488723867
Energy: 1.593335366080671
Energy: 1.3982746510510649
Energy: 1.603361721337416
Energy: 1.6202924616772432
Energy: 1.76068764021218
Energy: 1.708606929181605
Energy: 1.603361721338768
Energy: 1.6202924616777081
Energy: 1.7774302575413343
Energy: 1.5022739525157274
Energy: 1.5001521474985093
Energy: 1.8611573228101188
Energy: 1.5584608789829169
Energy: 1.5022739525180513
Energy: 1.5001521474985093
Energy: 1.861157322809189
Energy: 1.7253075399728355
Energy: 1.6648967112665625
Energy: 1.4596845109906185
Energy: 1.882265824777039
Energy: 1.7253075399653985
Energy: 1.6648967112693513
Energy: 1.478457860583173
Energy: 1.9790835433421423
Energy: 1.363186712288692
Energy: 1.8339167545146722
Energy: 1.4326427656770355
Energy: 1.9790835433495797
Energy: 1.3631867123183978
Energy: 1.833916754518391
Energy: 1.7253040394369912
Energy: 1.882251119988694
Energy: 1.6477926212723122
Energy: 1.664603831533622
Energy: 1.7253040394383856
Energy: 1.8822511199849752
Energy: 1.6319645865025
Energy: 1.502331610844304
Energy: 1.5584994372899008
Energy: 1.8306172847538187
Energy: 1.414991869825507
Energy: 1.5023316108438394
Energy: 1.5584994372847878
Energy: 1.830617284755213
Energy: 1.6029302256051574
Energy: 1.7088884036246348
Energy: 1.767874919400005
Energy: 1.632930473216375
Energy: 1.6029302256051574
Energy: 1.7088884036255643
Energy: 1.76787491940047
Energy: 1.5020117112769398
Energy: 1.457116115070297
Energy: 1.4006931159767695
Energy: 1.5936107456823059
Energy: 1.502011711281123
Energy: 1.4571161150712264
Energy: 1.4006931159800233
Energy: 1.4962942683618994
Energy: 1.8053983915464002
Energy: 1.8207844507678215
Energy: 1.4995659563466261
Energy: 1.4962942683637586
Energy: 1.8053983915510485
Energy: 1.8207844507696807
Energy: 1.560069203361984
Energy: 1.636494488707443
Energy: 1.4002549144679775
Energy: 1.607183824671294
Energy: 1.5600692033596604
Energy: 1.636494488702795
Energy: 1.4002549144661183
Energy: 1.4961009381720507
Energy: 1.6044067373270643
Energy: 1.6863090123149187
Energy: 1.6044735522232954
Energy: 1.4961009381729804
Energy: 1.6044067373284163
Energy: 1.6863090123153834
Energy: 1.5311146474485868
Energy: 1.6078885683057247
Energy: 1.4011577591295619
Energy: 1.6368899611698027
Energy: 1.531114647449516
Energy: 1.607888568307119
Energy: 1.4011577591300268
Energy: 1.496094357121426
Energy: 1.4995119992451473
Energy: 1.6434270607800754
Energy: 1.809102852350302
Energy: 1.4960943571209615
Energy: 1.4995119992474715
Energy: 1.6434270607800754
Energy: 1.492725148874246
Energy: 1.5933353660843894
Energy: 1.3982746510459516
Energy: 1.4554041496937435
Energy: 1.492725148874246
Energy: 1.5933353660788117
Energy: 1.398274651047811
Energy: 1.6033617213383033
Energy: 1.6202924616772432
Energy: 1.7228185943819048
Energy: 1.7086069291834642
Energy: 1.6033617213378384
Energy: 1.6202924616772432
Energy: 1.7228185943791157
Energy: 1.5022739525143332
Energy: 1.5001521474985093
Energy: 1.861157322809654
Energy: 1.5584608789833818
Energy: 1.502273952517122
Energy: 1.5001521474985093
Energy: 1.8611573228077947
Energy: 1.7253075399728355
Energy: 1.6648967112670274
Energy: 1.4613827047615089
Energy: 1.8822658247775035
Energy: 1.7253075399653985
Energy: 1.6648967112688866
Energy: 1.461382704759185
Energy: 1.9790835433430722
Energy: 1.363186712528872
Energy: 1.8339167545109538
Energy: 1.4326427656305547
Energy: 1.9790835433491147
Energy: 1.3631867126510746
Energy: 1.8339167545188557
Energy: 1.7253040394365262
Energy: 1.882251119988229
Energy: 1.5725545807001902
Energy: 1.6646038315345515
Energy: 1.7253040394379209
Energy: 1.8822511199840457
Energy: 1.6925538424654591
Energy: 1.5023316108438394
Energy: 1.5584994372903658
Energy: 1.8306172847556779
Energy: 1.4149918697929706
Energy: 1.5023316108433746
Energy: 1.558499437287112
Energy: 1.8306172847566078
Energy: 1.6029302256046927
Energy: 1.7088884036250995
Energy: 1.8044432126576828
Energy: 1.632930473214051
Energy: 1.6029302256093407
Energy: 1.7088884036246348
Energy: 1.742084308766269
Energy: 1.502011711281123
Energy: 1.4571161150735503
Energy: 1.4006931159776992
Energy: 1.5936107456855595
Energy: 1.502011711281123
Energy: 1.4571161150754097
Energy: 1.4006931159800233
Energy: 1.4962942683628289
Energy: 1.8053983915464002
Energy: 1.6858636402375922
Energy: 1.4995659563466261
Energy: 1.496294268364223
Energy: 1.8053983915501188
Energy: 1.6858636402380565
Energy: 1.560069203361984
Energy: 1.6364944887041892
Energy: 1.4002549144679775
Energy: 1.6071838246731531
Energy: 1.5600692033591954
Energy: 1.6364944887060486
Energy: 1.4002549144661183
Energy: 1.4961009381734451
Energy: 1.6044067373279938
Energy: 1.5530626295483596
Energy: 1.60447355222376
Energy: 1.4961009381734451
Energy: 1.6044067373275293
Energy: 1.553062629511682
Energy: 1.5311146474490513
Energy: 1.6078885683061892
Energy: 1.4011577591300268
Energy: 1.6368899611670138
Energy: 1.531114647449981
Energy: 1.6078885683066542
Energy: 1.4011577591300268

minimum gb energy = 1.363186712288692 eV
minimum distance =  2.33177697101794 Angstroms
sigma value = 21


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

Energy: 1.553965153510329
Energy: 1.6207170846751229
Energy: 1.5239093551881435
Energy: 1.6196743726888527
Energy: 1.553965153510329
Energy: 1.6207170846717374
Energy: 1.5222377904437412
Energy: 1.6547952369836232
Energy: 1.587912906813653
Energy: 1.7035047272041193
Energy: 1.5139970481272502
Energy: 1.6547952369858803
Energy: 1.5879129068130888
Energy: 1.7035047272041193
Energy: 1.6374693485353145
Energy: 1.488886528010945
Energy: 1.4797380574149503
Energy: 1.555090813812933
Energy: 1.6374693485347502
Energy: 1.4888865280086878
Energy: 1.4797380574149503
Energy: 1.5805701783051822
Energy: 1.5519568408540116
Energy: 1.7215270420947988
Energy: 1.4513441742396012
Energy: 1.580570178304618
Energy: 1.5519568408540116
Energy: 1.7215270420936706
Energy: 1.5186613823573738
Energy: 1.565529187467974
Energy: 1.5852072853551509
Energy: 1.4969225626229377
Energy: 1.518661382357938
Energy: 1.565529187470231
Energy: 1.5852072853540224
Energy: 1.5529397693496956
Energy: 1.6635753976606857
Energy: 1.6568732904588936
Energy: 1.5718317769247734
Energy: 1.5529397693248939
Energy: 1.6635753976601215
Energy: 1.6568732904611505
Energy: 1.7583113323222697
Energy: 1.5739355693448946
Energy: 1.576799091920112
Energy: 1.4547135576926893
Energy: 1.7583113323233728
Energy: 1.5739355693426376
Energy: 1.6353696973924938
Energy: 1.613418666342789
Energy: 1.6533491339094524
Energy: 1.8102042881875937
Energy: 1.4964083233389138
Energy: 1.6134186663439176
Energy: 1.653349133910581
Energy: 1.8102042881887221
Energy: 1.6335873182414002
Energy: 1.4785636141150493
Energy: 1.715288170500512
Energy: 1.6224609322518149
Energy: 1.6335873182408363
Energy: 1.4785636141156135
Energy: 1.6273445737157282
Energy: 1.5948387657078338
Energy: 1.554237538987414
Energy: 1.603432558594473
Energy: 1.4575594039909334
Energy: 1.594838765708398
Energy: 1.5542375389891065
Energy: 1.6034325585927802
Energy: 1.7514905818132267
Energy: 1.5543926609566547
Energy: 1.7232432330259704
Energy: 1.480859065708277
Energy: 1.7514905818166122
Energy: 1.554392660959476
Energy: 1.723243233027099
Energy: 1.5875569051594118
Energy: 1.5970629243378436
Energy: 1.6237384442006142
Energy: 1.4945654553860288
Energy: 1.5875569051594118
Energy: 1.597062924338972
Energy: 1.6237384441989213
Energy: 1.5747343424674225
Energy: 1.5156723225705977
Energy: 1.6152945476248364
Energy: 1.5253871154274383
Energy: 1.574734342464037
Energy: 1.5156723225700335
Energy: 1.615294547624272
Energy: 1.6121510055367425
Energy: 1.5334845124920107
Energy: 1.6811309006083293
Energy: 1.5125158358907274
Energy: 1.6121510055389996
Energy: 1.5334845124914465
Energy: 1.681130900607201
Energy: 1.7428738744415675
Energy: 1.5114831469879317
Energy: 1.7299113316738313
Energy: 1.5345594837046974
Energy: 1.7428738744404393
Energy: 1.5114831469879317
Energy: 1.692036773506706
Energy: 1.4430188220112847
Energy: 1.6082387525770634
Energy: 1.612620477639133
Energy: 1.5721297545713653
Energy: 1.4430188220124134
Energy: 1.6082387525770634
Energy: 1.612620477639133
Energy: 1.7359310090214717
Energy: 1.449535965633284
Energy: 1.728263537904871
Energy: 1.5864898190769634
Energy: 1.7359310090214717
Energy: 1.4495359656349767
Energy: 1.7282635379037425
Energy: 1.471502808362653
Energy: 1.5071537662961823
Energy: 1.514502697376685
Energy: 1.509316564213679
Energy: 1.4715028083643458
Energy: 1.5071537662956178
Energy: 1.5145026973738638
Energy: 1.553184288049696
Energy: 1.4722807825335658
Energy: 1.720399532117357
Energy: 1.5318951794427167
Energy: 1.5531842880508246
Energy: 1.4722807825358228
Energy: 1.7203995321184857
Energy: 1.4524359161262632
Energy: 1.5193616717592715
Energy: 1.6732583045510596
Energy: 1.5288209740982392
Energy: 1.4524359161245706
Energy: 1.5193616717598357
Energy: 1.6732583045516236
Energy: 1.6504852084242176
Energy: 1.513824271626452
Energy: 1.6903755447233992
Energy: 1.4731002113890057
Energy: 1.650485208425346
Energy: 1.5138242716275807
Energy: 1.690375544725092
Energy: 1.4709202865666315
Energy: 1.5840782588711515
Energy: 1.5144439356381836
Energy: 1.5090470949168986
Energy: 1.470920286564939
Energy: 1.58407825887228
Energy: 1.5144439356398762
Energy: 1.7359357883661801
Energy: 1.5033962421591947
Energy: 1.7298776662633468
Energy: 1.4188489328695304
Energy: 1.7359357883667446
Energy: 1.5033962421591947
Energy: 1.7298776662622182
Energy: 1.4417681054391218
Energy: 1.5721758442596923
Energy: 1.6054871339884764
Energy: 1.6254306230253686
Energy: 1.4417681054368647
Energy: 1.572175844261385
Energy: 1.605487133987348
Energy: 1.7308966654808315
Energy: 1.530978819128893
Energy: 1.7989127869039032
Energy: 1.511476967195188
Energy: 1.7308966654825242
Energy: 1.5309788191300213
Energy: 1.6615814171537016

minimum gb energy = 1.4188489328695304 eV
minimum distance =  2.25938850520038 Angstroms
sigma value = 113


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

Energy: 1.5387185336984008
Energy: 1.547070734830919
Energy: 1.6974794912277487
Energy: 1.540973626451328
Energy: 1.5387185336921025
Energy: 1.547070734830919
Energy: 1.7014595060185704
Energy: 1.5970568472252378
Energy: 1.5144962786204301
Energy: 1.6316882965765578
Energy: 1.5460777723317973
Energy: 1.597056847228387
Energy: 1.5144962786330267
Energy: 1.6316882965702595
Energy: 1.5776290888869067
Energy: 1.4492987373727286
Energy: 1.706865627525243
Energy: 1.4891773603412992
Energy: 1.5776290888837576
Energy: 1.4492987373758777
Energy: 1.706865627525243
Energy: 1.4411262588899625
Energy: 1.5403539551187744
Energy: 1.7537914360732085
Energy: 1.5201281209724262
Energy: 1.4411262588868134
Energy: 1.5403539551219236
Energy: 1.75379143606691
Energy: 1.5754584975190349
Energy: 1.3982118435121182
Energy: 1.6010357779671063
Energy: 1.3495329750169474
Energy: 1.5754584975158858
Energy: 1.3982118435121182
Energy: 1.6010357779765536
Energy: 1.4172912983390695
Energy: 1.4297819242879686
Energy: 1.7711963429888156
Energy: 1.4227713033775293
Energy: 1.4172912983359203
Energy: 1.4297819242848768
Energy: 1.7711963429888156
Energy: 1.6668492612169876
Energy: 1.393659885816645
Energy: 1.60589304033286
Energy: 1.3643418313321245
Energy: 1.6668492612264352
Energy: 1.3936598858103466
Energy: 1.5714936387403455
Energy: 1.402014414791389
Energy: 1.4964507108273404
Energy: 1.721851434589085
Energy: 1.4095011252103424
Energy: 1.402014414791389
Energy: 1.4964507108367877
Energy: 1.721851434585936
Energy: 1.6108664703212396
Energy: 1.3737227066509643
Energy: 1.6702158784991943
Energy: 1.3702611016998851
Energy: 1.610866470324389
Energy: 1.3737227066541133
Energy: 1.6702158784834487
Energy: 1.5164214157904865
Energy: 1.4806271042629688
Energy: 1.7121897695559838
Energy: 1.4555419203215603
Energy: 1.5164214157936355
Energy: 1.4806271042692671
Energy: 1.7121897695559838
Energy: 1.595509562022084
Energy: 1.525010406858899
Energy: 1.7630444970617871
Energy: 1.3416775299350465
Energy: 1.595509562018935
Energy: 1.5250104068526005
Energy: 1.7630444970712345
Energy: 1.5122649146717688
Energy: 1.3941657716354248
Energy: 1.8765112520356624
Energy: 1.4234785335189388
Energy: 1.512264914681159
Energy: 1.3941657716354248
Energy: 1.876511252026215
Energy: 1.6152701823835551
Energy: 1.4070045563693545
Energy: 1.7401734250322272
Energy: 1.3859513429557266
Energy: 1.6152701823772568
Energy: 1.4070045563756528
Energy: 1.7401734250290781
Energy: 1.6625353120376427
Energy: 1.576109144130883
Energy: 1.8824428392283012
Energy: 1.464680844860408
Energy: 1.6625353120407917
Energy: 1.576109144130883
Energy: 1.8824428392251522
Energy: 1.6188969783953413
Energy: 1.4517327466876218
Energy: 1.9377486461148807
Energy: 1.5072717251659664
Energy: 1.6188969783984906
Energy: 1.4517327466876218
Energy: 1.93774864611803
Energy: 1.6585619438643995
Energy: 1.387831079983962
Energy: 1.7865041764953962
Energy: 1.4218229698570743
Energy: 1.6585619438643995
Energy: 1.3878310799871112
Energy: 1.7865041764890977
Energy: 1.622483424293728
Energy: 1.4131925736882562
Energy: 1.8790633053925359
Energy: 1.418647778637787
Energy: 1.6224834243031754
Energy: 1.4131925736977038
Energy: 1.879063305395685
Energy: 1.5193913249215378
Energy: 1.4282112912936726
Energy: 1.7638242499723722
Energy: 1.478156237125235
Energy: 1.5193913249215378
Energy: 1.4282112913472074
Energy: 1.7638242499723722
Energy: 1.5764670717631006
Energy: 1.4491514969353034
Energy: 1.7006111014320984
Energy: 1.4275064565951674
Energy: 1.5764670717693992
Energy: 1.4491514969290054
Energy: 1.7006111014320984
Energy: 1.4927295815917396
Energy: 1.4727750505750414
Energy: 1.6991432821906707
Energy: 1.384565517569331
Energy: 1.4927295815885906
Energy: 1.4727750505813395
Energy: 1.6991432821906707
Energy: 1.5598528037241917
Energy: 1.4044895038865124
Energy: 1.7040654503170811
Energy: 1.4810903058616687
Energy: 1.5598528037273407
Energy: 1.4044895038865124
Energy: 1.6576272565175545
Energy: 1.5178141023305656
Energy: 1.4022126820889065
Energy: 1.630205287998576
Energy: 1.423053099364122
Energy: 1.5178141023274163
Energy: 1.4022126820794591
Energy: 1.630205287995427
Energy: 1.542422286200259
Energy: 1.4449990025301205
Energy: 1.7672027683982123
Energy: 1.565035675566214
Energy: 1.542422286200259
Energy: 1.4449990025269714
Energy: 1.7672027683982123
Energy: 1.454025780437289
Energy: 1.3832869143234223
Energy: 1.649873627949865
Energy: 1.3735376941958777
Energy: 1.454025780440438
Energy: 1.3832869143265716
Energy: 1.6498736279467157
Energy: 1.5425054991949805
Energy: 1.4603790306561326
Energy: 1.7315801544501734
Energy: 1.634558425068212
Energy: 1.5425054991981295
Energy: 1.460379030662431
Energy: 1.7315801544564717
Energy: 1.49295484197233
Energy: 1.5373501921254256
Energy: 1.7399920504090407
Energy: 1.4570634605906592
Energy: 1.4929548419786283
Energy: 1.5373501921317239
Energy: 1.7399920504090407
Energy: 1.6903044138960608
Energy: 1.4878278091269703
Energy: 1.6300725962395415
Energy: 1.5778072535476113
Energy: 1.6903044138960608
Energy: 1.4878278091269703
Energy: 1.6496639407417637
Energy: 1.421103910087979
Energy: 1.6403882732052586
Energy: 1.7812980066780095
Energy: 1.64455688674558
Energy: 1.4211039099966543
Energy: 1.6403882732021096
Energy: 1.7812980066717112
Energy: 1.6142981047830935
Energy: 1.465109038740449
Energy: 1.7353998902471228
Energy: 1.618925313889858
Energy: 1.6142981047862426
Energy: 1.4651090387467474
Energy: 1.7353998902471228
Energy: 1.50874190475905
Energy: 1.4872264875925292
Energy: 1.6954077276708484
Energy: 1.5678767408487453
Energy: 1.508741904755901
Energy: 1.487226487586231
Energy: 1.6954077276739976
Energy: 1.5561865259729615
Energy: 1.4518947400271547
Energy: 1.803447473374839
Energy: 1.5243059689400047
Energy: 1.5561865259666632
Energy: 1.4518947400240056
Energy: 1.803447473384286
Energy: 1.4925002673410088
Energy: 1.4062034403205537
Energy: 1.5991156232309194
Energy: 1.4452471987633062
Energy: 1.4925002673441579
Energy: 1.4062034403205537
Energy: 1.5991156232246213
Energy: 1.5552273273239903
Energy: 1.38190382522749
Energy: 1.7284759327388135
Energy: 1.5003558895233913
Energy: 1.555227327320841
Energy: 1.38190382522749
Energy: 1.7284759327293662
Energy: 1.500068007641383
Energy: 1.3422213320157361
Energy: 1.4812404471396023
Energy: 1.3815726914814213
Energy: 1.500068007638234
Energy: 1.3422213320220342
Energy: 1.4812404471993785
Energy: 1.5279775070846118
Energy: 1.347787890333627
Energy: 1.623556086721882
Energy: 1.4701757153445452
Energy: 1.5279775070814627
Energy: 1.347787890339925
Energy: 1.6235560867155836
Energy: 1.500250759977164
Energy: 1.3903524593169603
Energy: 1.6069624241396936
Energy: 1.3629514624266073
Energy: 1.5002507599803132
Energy: 1.3903524593232586
Energy: 1.6069624241396936
Energy: 1.5615492120629502
Energy: 1.3806036469987828
Energy: 1.6492992335823677
Energy: 1.4937994916661246
Energy: 1.5615492120598011
Energy: 1.3806036470050809
Energy: 1.6492992335760697
Energy: 1.5557385047078314
Energy: 1.4573465593900286
Energy: 1.6439148398393129
Energy: 1.3621749674937884
Energy: 1.5557385047109804
Energy: 1.4573465593900286
Energy: 1.6439148398393129
Energy: 1.5620014420334667
Energy: 1.4674786153568624
Energy: 1.8424298778559127
Energy: 1.4527570463941348
Energy: 1.5620014420366157
Energy: 1.4674786153537134
Energy: 1.8424298778559127
Energy: 1.4797994534821397
Energy: 1.475579034763776
Energy: 1.6571404662982494
Energy: 1.4040317924771166
Energy: 1.479799453485289
Energy: 1.475579034766925
Energy: 1.6571404663013984
Energy: 1.6168075171601932
Energy: 1.5018436943632407
Energy: 1.846264774962326
Energy: 1.4539205545458098
Energy: 1.6168075171507459
Energy: 1.5018436943663902
Energy: 1.846264774962326
Energy: 1.520663343861517
Energy: 1.4702292966577162
Energy: 1.7604784100849902
Energy: 1.5179113170396092
Energy: 1.5206633438583679
Energy: 1.4702292966608654
Energy: 1.7604784100881392
Energy: 1.5751301723260613
Energy: 1.4746567724259116
Energy: 1.8362947042172293
Energy: 1.5020921072666598
Energy: 1.5751301723292104
Energy: 1.4746567724227626
Energy: 1.8362947042172293
Energy: 1.5608989057037066
Energy: 1.4184086232026316
Energy: 1.818811054921142
Energy: 1.4536976334745284
Energy: 1.5608989057005576
Energy: 1.4184086232089297
Energy: 1.818811054921142
Energy: 1.427853532209276
Energy: 1.4833806047591607
Energy: 1.791209277789114
Energy: 1.5287078569239927
Energy: 1.4278535322124253
Energy: 1.4833806047623097
Energy: 1.7912092778017101

minimum gb energy = 1.3416775299350465 eV
minimum distance =  2.26645151896938 Angstroms
sigma value = 365


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

Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.2442819910209684
Energy: 1.585996737776257
Energy: 1.9265386030309086
Energy: 1.5859967377755466
Energy: 1.4585694032566394
Energy: 1.9265386030309086
Energy: 1.5859967377769666
Energy: 1.5159806730653989
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377748365
Energy: 1.6769285805228378
Energy: 1.9265386030309086
Energy: 1.5859967377783868
Energy: 1.6582641048566422
Energy: 1.585996737776257
Energy: 1.9265386030316183
Energy: 1.5859967377741269
Energy: 1.6280276844441892
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.406399798578348
Energy: 1.585996737776257
Energy: 1.9265386030323284
Energy: 1.5859967377769666
Energy: 1.4291028822547387
Energy: 1.9265386030309086
Energy: 1.5859967377783868
Energy: 1.6725379198471035
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.4656053019198743
Energy: 1.9265386030316183
Energy: 1.5859967377783868
Energy: 1.6030196582365641
Energy: 1.585996737776257
Energy: 1.9265386030323284
Energy: 1.5859967377748365
Energy: 1.5380301972114656
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.2885054880150226
Energy: 1.5859967377755466
Energy: 1.9265386030309086
Energy: 1.5859967377769666
Energy: 1.3216156903551597
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.7113726706376315
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377748365
Energy: 1.4580238582414422
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393062864
Energy: 1.585996737776257
Energy: 1.9265386030323284
Energy: 1.5859967377741269
Energy: 1.3522581968278975
Energy: 1.9265386030323284
Energy: 1.5859967377755466
Energy: 1.6053072393069967
Energy: 1.5859967377755466
Energy: 1.9265386030309086
Energy: 1.585996737776257
Energy: 1.6053072393077066
Energy: 1.9265386030316183
Energy: 1.585996737777677
Energy: 1.615443713261673
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377741269
Energy: 1.615443713263093
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393084165
Energy: 1.5859967377755466
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.6053072393062864
Energy: 1.9265386030309086
Energy: 1.5859967377755466
Energy: 1.6053072393062864
Energy: 1.5859967377755466
Energy: 1.9265386030309086
Energy: 1.585996737776257
Energy: 1.6053072393069967
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393084165
Energy: 1.5859967377790967
Energy: 1.9265386030309086
Energy: 1.5859967377748365
Energy: 1.6053072393048666
Energy: 1.9265386030316183
Energy: 1.5859967377783868
Energy: 1.6053072393077066
Energy: 1.585996737776257
Energy: 1.9265386030323284
Energy: 1.5859967377741269
Energy: 1.6053072393048666
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.6053072393069967
Energy: 1.5859967377755466
Energy: 1.9265386030309086
Energy: 1.5859967377755466
Energy: 1.6053072393077066
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393069967
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377748365
Energy: 1.6053072393069967
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393069967
Energy: 1.585996737776257
Energy: 1.9265386030316183
Energy: 1.5859967377755466
Energy: 1.6053072393062864
Energy: 1.9265386030323284
Energy: 1.585996737776257
Energy: 1.6053072393069967
Energy: 1.585996737776257
Energy: 1.9265386030309086
Energy: 1.585996737776257
Energy: 1.6053072393077066
Energy: 1.9265386030309086
Energy: 1.585996737777677
Energy: 1.6053072393084165
Energy: 1.5859967377783868
Energy: 1.9265386030316183
Energy: 1.5859967377748365
Energy: 1.6053072393062864

minimum gb energy = 1.2442819910209684 eV
minimum distance =  2.30441940287148 Angstroms
sigma value = 23