Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.357264043064316
mass=26.981538
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: 0.01268944652356235
Energy: 0.11459118104375761
Energy: 0.42639806631098204
Energy: 0.11457401732420315
Energy: 0.01268944652356235
Energy: 0.11459118104375761
Energy: 0.0448405606228029
Energy: 0.028899354704085927
Energy: 0.013282452840105196
Energy: 0.10212933666651633
Energy: 0.013248942921482125
Energy: 0.028899354704290236
Energy: 0.013282452840105196
Energy: 0.102129336666312
Energy: 0.01268944652335804
Energy: 0.11459118104396192
Energy: 0.42639806630719096
Energy: 0.11457401732399884
Energy: 0.01268944652335804
Energy: 0.11459118104396192
Energy: 0.04484056062321152
Energy: 0.028899354704290236
Energy: 0.013282452839900885
Energy: 0.10212933666651633
Energy: 0.013248942921482125
Energy: 0.028899354704494555
Energy: 0.013282452839696573
Energy: 0.10212933666690222
Energy: 0.01268944652356235
Energy: 0.11459118104416623
Energy: 0.029176045362007078
Energy: 0.11457401732399884
Energy: 0.01268944652356235
Energy: 0.11459118104396192
Energy: 0.04484056062321152
Energy: 0.028899354704085927
Energy: 0.013282452839900885
Energy: 0.10212933666651633
Energy: 0.013248942921686439
Energy: 0.028899354704085927
Energy: 0.013282452840491118
Energy: 0.10212933666651633

minimum gb energy = 0.01268944652335804 eV
minimum distance =  2.83376101481584 Angstroms
sigma value = 5


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

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Energy: 0.4704706533064547
Energy: 0.48433638128656326
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Energy: 0.478094879815905
Energy: 0.47132891518123604
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Energy: 0.4791401092473917
Energy: 0.47809487981834564
Energy: 0.47132891518123604
Energy: 0.5162701592331117
Energy: 0.5054571671295783
Energy: 0.438589550880861
Energy: 0.47409538862465656
Energy: 0.4316987396164971
Energy: 0.5054571671320188
Energy: 0.43858955088574214
Energy: 0.47409538862465656
Energy: 0.43859608207286427
Energy: 0.47762742028330374
Energy: 0.4822308870831745
Energy: 0.46083109337386674
Energy: 0.4385960820753048
Energy: 0.47762742028330374
Energy: 0.482230887080734
Energy: 0.46489570557820425
Energy: 0.4646919880852665
Energy: 0.43701557723489765
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Energy: 0.5192214680720397
Energy: 0.4335080044132345
Energy: 0.45555542743921373
Energy: 0.4635793543177347
Energy: 0.5192214680744804

minimum gb energy = 0.4146090078755841 eV
minimum distance =  2.43468207068536 Angstroms
sigma value = 401


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

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Energy: 0.44786828855502686
Energy: 0.4436614726647197
Energy: 0.3895175218124652
Energy: 0.44199308023248374
Energy: 0.44786828855502686
Energy: 0.44366147266391387
Energy: 0.3895175218124652
Energy: 0.4448576101277218
Energy: 0.4667989454654533
Energy: 0.3863712737027768
Energy: 0.4476640876767303
Energy: 0.44485761012908176
Energy: 0.46679894546489925
Energy: 0.38637127370418717
Energy: 0.45835547226761486
Energy: 0.4691430098267501
Energy: 0.5035900542591475
Energy: 0.47467712351988317
Energy: 0.45835547226983114
Energy: 0.46914300982533974
Energy: 0.5035900542594497
Energy: 0.4358626202698167
Energy: 0.46375468459821706
Energy: 0.5057697896662422
Energy: 0.4758429644531136
Energy: 0.4358626202698167
Energy: 0.46375468459796515
Energy: 0.5057697896632201
Energy: 0.43777067103557626
Energy: 0.47912132161185206
Energy: 0.47180294081795093
Energy: 0.4871328469384219
Energy: 0.4377706710389007
Energy: 0.4791213216096357
Energy: 0.47180294081573465
Energy: 0.4679812205294821
Energy: 0.4793388062513047
Energy: 0.46269909193843317
Energy: 0.47284123966559666
Energy: 0.467981220528928
Energy: 0.4793388062518588
Energy: 0.4626990919389872
Energy: 0.4827506672844663
Energy: 0.47725799326477486
Energy: 0.48757213641141567
Energy: 0.46179181991162455
Energy: 0.48275066728612853
Energy: 0.477257993265077
Energy: 0.48757213641116387
Energy: 0.48883007390789734
Energy: 0.44331206753806535
Energy: 0.39813119074599057
Energy: 0.4463156670930096
Energy: 0.4888300739128839
Energy: 0.4433120675372595
Energy: 0.3981311907465447
Energy: 0.4758683853042896
Energy: 0.46847698473075916
Energy: 0.4432201273051522
Energy: 0.4775888014467552
Energy: 0.4758683853062035
Energy: 0.46847698473075916
Energy: 0.44322012716230424

minimum gb energy = 0.3863712737027768 eV
minimum distance =  2.44366591083823 Angstroms
sigma value = 311


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

Energy: 0.4616913368843576
Energy: 0.4323655439206892
Energy: 0.4888436741244222
Energy: 0.4365672924339166
Energy: 0.46169133688531727
Energy: 0.43236554392036936
Energy: 0.4715411826304201
Energy: 0.4899808840642219
Energy: 0.4472339388658637
Energy: 0.4476177629974098
Energy: 0.4174562787549843
Energy: 0.4899808840642219
Energy: 0.44723393886682333
Energy: 0.4476177629980496
Energy: 0.4555478990788107
Energy: 0.45621586270959286
Energy: 0.45240900479850854
Energy: 0.4412841658857898
Energy: 0.4555478990794505
Energy: 0.456215862709273
Energy: 0.4505594489839166
Energy: 0.45725734763622966
Energy: 0.4215434051564969
Energy: 0.47236583512440206
Energy: 0.4330632727580696
Energy: 0.4572573476365495
Energy: 0.4215434051564969
Energy: 0.47236583512536173
Energy: 0.4789606074901792
Energy: 0.4362807216705986
Energy: 0.53414722877914
Energy: 0.42675334193291153
Energy: 0.478960607490819
Energy: 0.4362807216702787
Energy: 0.5332633656893269
Energy: 0.46327546483973553
Energy: 0.44244595890488153
Energy: 0.46539306095718114
Energy: 0.4113268914000104
Energy: 0.4632754648400554
Energy: 0.44244595890456156
Energy: 0.46539306095686117
Energy: 0.46069442988642867
Energy: 0.43780826817000784
Energy: 0.4429158927431478
Energy: 0.4205968534392338
Energy: 0.46069442988642867
Energy: 0.4378082681703277
Energy: 0.4148403778879859
Energy: 0.46204570768509495
Energy: 0.49090104261125045
Energy: 0.4791583195943977
Energy: 0.45193095086542323
Energy: 0.46204570768477515
Energy: 0.49090104261157036
Energy: 0.4791583195943977
Energy: 0.46585560713002655
Energy: 0.4353952453382257
Energy: 0.4413172441078673
Energy: 0.451890586426184
Energy: 0.4658556071309863
Energy: 0.4353952453382257
Energy: 0.4483641378879273
Energy: 0.4491408640894427
Energy: 0.46092001314692366
Energy: 0.4434166559986704
Energy: 0.44572562598560306
Energy: 0.449140864088803
Energy: 0.4609200131466038
Energy: 0.4434166559986704
Energy: 0.4555530704839168
Energy: 0.42714467171293286
Energy: 0.47138645523075556
Energy: 0.44126302399592443
Energy: 0.45555307048327703
Energy: 0.4271446717135727
Energy: 0.47138645523075556
Energy: 0.4525830257622939
Energy: 0.4692949589029927
Energy: 0.4365034320291836
Energy: 0.4436903243999537
Energy: 0.4525830257622939
Energy: 0.4692949589036325
Energy: 0.4365034320288637
Energy: 0.4542366850937718
Energy: 0.43326782296122857
Energy: 0.4756207023589356
Energy: 0.4140788938064633
Energy: 0.4542366850934519
Energy: 0.43326782296122857
Energy: 0.4756207023576561
Energy: 0.43899348014033424
Energy: 0.446336183980179
Energy: 0.45306423474178215
Energy: 0.46509582341622885
Energy: 0.4389934801409739
Energy: 0.44633618397985914
Energy: 0.45306423474146224
Energy: 0.4438338131741706
Energy: 0.4157224782061552
Energy: 0.4711400143207311
Energy: 0.43411702218857506
Energy: 0.44383381317449044
Energy: 0.4157224782061552
Energy: 0.4711400143204112
Energy: 0.44802519155312986
Energy: 0.43457974872892413
Energy: 0.417146881479922
Energy: 0.4593829155074506
Energy: 0.44802519155312986
Energy: 0.43457974872924404
Energy: 0.4171468814808817
Energy: 0.46042452834181397
Energy: 0.45331619532783435
Energy: 0.4532454065602696
Energy: 0.43703047830471436
Energy: 0.460424528341494
Energy: 0.4533161953275145
Energy: 0.45324540656058954
Energy: 0.4559348827647727
Energy: 0.4830281255954012
Energy: 0.41714937022472237
Energy: 0.4552573263238319
Energy: 0.4559348827650926
Energy: 0.48302812559508135
Energy: 0.41714937022504217
Energy: 0.46310527093388043
Energy: 0.4783463436517416
Energy: 0.4569905903212611
Energy: 0.4365396743289867
Energy: 0.4631052709342003
Energy: 0.4783463436520615
Energy: 0.4752870190614919
Energy: 0.46206147108426715
Energy: 0.434651290813229
Energy: 0.4473072928312854
Energy: 0.4884752900462441
Energy: 0.46206147108426715
Energy: 0.434651290813229
Energy: 0.4473072928706028
Energy: 0.4530484166808302
Energy: 0.42055755624140173
Energy: 0.45594077650071574
Energy: 0.4286325184992934
Energy: 0.4530484166801904
Energy: 0.4205575562410818
Energy: 0.45594077649911635
Energy: 0.4633863242910917
Energy: 0.4179227173420115
Energy: 0.45102074813684045
Energy: 0.4348680501843534
Energy: 0.4633863242910917
Energy: 0.4179227173420115
Energy: 0.45102074813748017
Energy: 0.4610244776225452
Energy: 0.4268119305409178
Energy: 0.5055893171330096
Energy: 0.475573426682772
Energy: 0.4610244776215856
Energy: 0.4268119305412377
Energy: 0.44083136233542
Energy: 0.4466590964608428
Energy: 0.43163881253031156
Energy: 0.4555233371605844
Energy: 0.4114353334296721
Energy: 0.4466590964614826
Energy: 0.43163881253191094
Energy: 0.4555233371605844
Energy: 0.4470776549883288
Energy: 0.43429042036604776
Energy: 0.43244032951432526
Energy: 0.46515407276788556
Energy: 0.44707765498736907
Energy: 0.4342904203657279
Energy: 0.40533439229386625
Energy: 0.4672339431551858
Energy: 0.41247321330903347
Energy: 0.4517674446685874
Energy: 0.4273669733307871
Energy: 0.46723394315582556
Energy: 0.4124732133087135
Energy: 0.45176744466794766
Energy: 0.44929972178211863
Energy: 0.4346316268137586
Energy: 0.47906453624838174
Energy: 0.43754731251741813
Energy: 0.44929972178339816
Energy: 0.4346316268137586
Energy: 0.48008751454880494
Energy: 0.46255702468038323
Energy: 0.45616709522208504
Energy: 0.4510450204690873
Energy: 0.4188351276137177
Energy: 0.4625570246797434
Energy: 0.4561670952224049
Energy: 0.4510450204687673
Energy: 0.4572657037397899
Energy: 0.4572961417591225
Energy: 0.4673929450624477
Energy: 0.4360245783149784
Energy: 0.4572657037401099
Energy: 0.4572961417591225
Energy: 0.4673929450624477
Energy: 0.45065610798632344
Energy: 0.42464408551050015
Energy: 0.4729360496815285
Energy: 0.4346231097017212
Energy: 0.45065610798632344
Energy: 0.42464408551145977
Energy: 0.47293604967705005
Energy: 0.46162540115052136
Energy: 0.444189748237928
Energy: 0.48105809454132936
Energy: 0.4375001840810496
Energy: 0.46162540115148104
Energy: 0.44418974823824786
Energy: 0.48105809454196913
Energy: 0.45934396294373164
Energy: 0.4348671710183462
Energy: 0.4930771603833447
Energy: 0.41638710143162133
Energy: 0.4593439629434117
Energy: 0.4348671710186661
Energy: 0.49307716038366456
Energy: 0.4649773361655615
Energy: 0.4321139839542469
Energy: 0.4287233010046872
Energy: 0.4431077142172882
Energy: 0.4649773361652416
Energy: 0.4321139839529673
Energy: 0.4287233010046872
Energy: 0.465872386278698
Energy: 0.5058274521574656
Energy: 0.49521067125465557
Energy: 0.44354729285513694
Energy: 0.4658723862790179
Energy: 0.5058274521571458
Energy: 0.49521067125369583
Energy: 0.46338211934630674
Energy: 0.4597612717661438
Energy: 0.42616688374559053
Energy: 0.45254703645901995
Energy: 0.4633821193466266
Energy: 0.4597612717661438
Energy: 0.4554373000888075
Energy: 0.44891930368529653
Energy: 0.45515035974188917
Energy: 0.42625073355087334
Energy: 0.44667569559143167
Energy: 0.44891930368657607
Energy: 0.45515035974252893
Energy: 0.426250733551833

minimum gb energy = 0.40533439229386625 eV
minimum distance =  2.48596745475243 Angstroms
sigma value = 39


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

Energy: 0.3419198567885877
Energy: 0.4129674795777089
Energy: 0.507604390402384
Energy: 0.4129647762012229
Energy: 0.34191985679085285
Energy: 0.4129674795765763
Energy: 0.5107148390596062
Energy: 0.3379116729939125
Energy: 0.4559427758606525
Energy: 0.3590629551636114
Energy: 0.45841904331206795
Energy: 0.3379116729965553
Energy: 0.4559427758614076
Energy: 0.35906295516398895
Energy: 0.3560494925235991
Energy: 0.3102458750693827
Energy: 0.41515586710247315
Energy: 0.37783486620142576
Energy: 0.35604949252284407
Energy: 0.31024587507164786
Energy: 0.4468677568704226
Energy: 0.3622579003128449
Energy: 0.47564711345407984
Energy: 0.3889551274767771
Energy: 0.4109438016275506
Energy: 0.3622579003135999
Energy: 0.47564711345672256
Energy: 0.38895512747300176
Energy: 0.43001036069021265
Energy: 0.37676793668631137
Energy: 0.45813207546288415
Energy: 0.3778053932907515
Energy: 0.43001036069134524
Energy: 0.3767679366866889
Energy: 0.46234272790518816
Energy: 0.3604398729751323
Energy: 0.40528909608051805
Energy: 0.5022629656114355
Energy: 0.40673121366476067
Energy: 0.3604398729758873
Energy: 0.405289096079763
Energy: 0.5022629656099252
Energy: 0.5255433475155401
Energy: 0.37774108564117154
Energy: 0.4033398479251481
Energy: 0.37786821584617847
Energy: 0.5255433475170503
Energy: 0.3777410856430249
Energy: 0.39316348696376646
Energy: 0.3605609254590369
Energy: 0.335261023237952
Energy: 0.5099676838483114
Energy: 0.33522072616787496
Energy: 0.36056092545828183
Energy: 0.3352610232409723
Energy: 0.5099676838460463
Energy: 0.5254324459421715
Energy: 0.3778921377825165
Energy: 0.4742634956457971
Energy: 0.37789126647193216
Energy: 0.5254324459414164
Energy: 0.37789213778289404
Energy: 0.47083033097533356
Energy: 0.362296543488627
Energy: 0.40606661450359327
Energy: 0.5022596602927255
Energy: 0.40556097353911585
Energy: 0.3622965434893821
Energy: 0.40606661450434833
Energy: 0.5022596602927255
Energy: 0.4296671367433224
Energy: 0.3778238250856767
Energy: 0.4134064144319219
Energy: 0.3767200136393041
Energy: 0.42966713674407747
Energy: 0.37782382508756435
Energy: 0.4024761163471707
Energy: 0.3622292003694669
Energy: 0.4109671197152336
Energy: 0.39025521452412826
Energy: 0.4752032200130153
Energy: 0.3622292003683343
Energy: 0.41096711971372346
Energy: 0.3902552145260159
Energy: 0.35575524060633007
Energy: 0.37773355439462136
Energy: 0.5116986510765372
Energy: 0.3102514390695516
Energy: 0.3557552406067076
Energy: 0.37773355439575396
Energy: 0.5157318610722761
Energy: 0.3378987779149877
Energy: 0.45833740233989106
Energy: 0.3589723667978366
Energy: 0.45595506529239643
Energy: 0.33789877791612033
Energy: 0.45833740234215625
Energy: 0.358972366796704
Energy: 0.3419198567878326
Energy: 0.41296747957808644
Energy: 0.5139651374467168
Energy: 0.41296477620084543
Energy: 0.34191985679009784
Energy: 0.4129674795769538
Energy: 0.5139651374463392
Energy: 0.3379116729942901
Energy: 0.4559427758606525
Energy: 0.3590629551636114
Energy: 0.4584190433113129
Energy: 0.3379116729973104
Energy: 0.45594277586216264
Energy: 0.3590629551643665
Energy: 0.35604949252246654
Energy: 0.31024587506976026
Energy: 0.44686775686929003
Energy: 0.37783486620142576
Energy: 0.3560494925232216
Energy: 0.3102458750724029
Energy: 0.44686775687080016
Energy: 0.36225790031246735
Energy: 0.47564711345483485
Energy: 0.388955127476022
Energy: 0.4109438016279282
Energy: 0.36225790031322236
Energy: 0.4756471134571001
Energy: 0.3889551274733793
Energy: 0.43001036069021265
Energy: 0.37676793668631137
Energy: 0.4623427279078308
Energy: 0.37780539328924134
Energy: 0.4300103606921003
Energy: 0.37676793668593384
Energy: 0.4623427279059432
Energy: 0.36043987297626484
Energy: 0.405289096079763
Energy: 0.5022629656110579
Energy: 0.4067312136662708
Energy: 0.3604398729758873
Energy: 0.4052890960801405
Energy: 0.5022629656091703
Energy: 0.5255433475155401
Energy: 0.37774108564079406
Energy: 0.38901874598344754
Energy: 0.3778682158454234
Energy: 0.5255433475170503
Energy: 0.3777410856419266
Energy: 0.3890187459853009
Energy: 0.3605609254594144
Energy: 0.3352610232383295
Energy: 0.509967683848689
Energy: 0.3352207261686301
Energy: 0.3605609254590369
Energy: 0.33526102323946216
Energy: 0.5099676838464238
Energy: 0.525432445942549
Energy: 0.37789213778289404
Energy: 0.4217116914932926
Energy: 0.3778912664723097
Energy: 0.5254324459414164
Energy: 0.37789213778289404
Energy: 0.421711691491405
Energy: 0.3622965434893821
Energy: 0.4060666145028382
Energy: 0.5022596602919706
Energy: 0.4055609735406259
Energy: 0.3622965434893821
Energy: 0.4060666145032157
Energy: 0.5022596602919706
Energy: 0.4296671367040591
Energy: 0.3778238250860542
Energy: 0.36742002339611846
Energy: 0.3767200136396816
Energy: 0.42966713670179396
Energy: 0.37782382508794193
Energy: 0.3674200233957409
Energy: 0.3622292003698444
Energy: 0.4109671197159886
Energy: 0.39025521452412826
Energy: 0.47520322001377036
Energy: 0.3622292003687118
Energy: 0.41096711971447847
Energy: 0.3902552145260159
Energy: 0.35575524060708513
Energy: 0.37773355439462136
Energy: 0.5205812234024206
Energy: 0.3102514390695516
Energy: 0.35575524060633007
Energy: 0.3777335543953765
Energy: 0.520581223402043
Energy: 0.3378987779149877
Energy: 0.4583374023414012
Energy: 0.3589723667974591
Energy: 0.45595506529239643
Energy: 0.33789877791649786
Energy: 0.45833740234102366
Energy: 0.358972366795949
Energy: 0.3419198567893428
Energy: 0.4129674795777089
Energy: 0.4835053349356369
Energy: 0.41296477620160044
Energy: 0.34191985679085285
Energy: 0.4129674795761988
Energy: 0.483505334936392
Energy: 0.3379116729942901
Energy: 0.4559427758610301
Energy: 0.3590629551636114
Energy: 0.4584190433113129
Energy: 0.3379116729965553
Energy: 0.4559427758617851
Energy: 0.35906295516398895

minimum gb energy = 0.3102458750693827 eV
minimum distance =  2.55854317931845 Angstroms
sigma value = 21


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

Energy: 0.393277743919537
Energy: 0.46839416952541574
Energy: 0.39438472068893765
Energy: 0.46857912277570085
Energy: 0.3932777439190786
Energy: 0.46839416952541574
Energy: 0.3782468091957051
Energy: 0.3822718396524906
Energy: 0.36039642211034567
Energy: 0.461953678148849
Energy: 0.36177555091112734
Energy: 0.38227183965203226
Energy: 0.36039642211034567
Energy: 0.4619536781493074
Energy: 0.39197092068558176
Energy: 0.39332786183602125
Energy: 0.3571949579321876
Energy: 0.36094198720402804
Energy: 0.39197092068558176
Energy: 0.39332786183602125
Energy: 0.35719495793172923
Energy: 0.3901996894497173
Energy: 0.398051035817451
Energy: 0.38833579846425254
Energy: 0.38320975235788185
Energy: 0.3901996894483424
Energy: 0.3980510358188259
Energy: 0.3883357984647109
Energy: 0.377779087230599
Energy: 0.43637972330668207
Energy: 0.4257485245421134
Energy: 0.3994398687407116
Energy: 0.3777790872319739
Energy: 0.4363797233075986
Energy: 0.4086068691944396
Energy: 0.3901180202111226
Energy: 0.3834860318622082
Energy: 0.3961391745625629
Energy: 0.36096369438546344
Energy: 0.3901180202120393
Energy: 0.3834860318622082
Energy: 0.39613917455752157
Energy: 0.398834040277294
Energy: 0.4542792862545604
Energy: 0.4092451804638784
Energy: 0.4014713221804053
Energy: 0.398834040277294
Energy: 0.45427928625593533
Energy: 0.4276702197252257
Energy: 0.39202631152991785
Energy: 0.37989355469154124
Energy: 0.4222798217859384
Energy: 0.3612941664233025
Energy: 0.39202631153083456
Energy: 0.37989355469154124
Energy: 0.4222798217873134
Energy: 0.40175657479670757
Energy: 0.3800051234062985
Energy: 0.4294283979414862
Energy: 0.4115863157056118
Energy: 0.4017565747957909
Energy: 0.3800051234058402
Energy: 0.4294283979419445
Energy: 0.38742481300831494
Energy: 0.3838858344298537
Energy: 0.38998238714910693
Energy: 0.39829093298959367
Energy: 0.38742481300877324
Energy: 0.38388583442939544
Energy: 0.3899823871481903
Energy: 0.41270306860476147
Energy: 0.42674712257421393
Energy: 0.41296520492130745
Energy: 0.40246932511425726
Energy: 0.41270306860476147
Energy: 0.42674712257421393
Energy: 0.3874290504995243
Energy: 0.34367891246843835
Energy: 0.4006588253197236
Energy: 0.42674333963019306
Energy: 0.3838569883335087
Energy: 0.3436789124698133
Energy: 0.4006588253188069
Energy: 0.42674333963019306
Energy: 0.3984549695590495
Energy: 0.377342709456844
Energy: 0.3825352876737759
Energy: 0.3955454647624063
Energy: 0.3984549695416339
Energy: 0.37734270945546905
Energy: 0.3825352876746717
Energy: 0.34376812863448125
Energy: 0.4005365261657778
Energy: 0.3833581392926292
Energy: 0.40861040905812546
Energy: 0.34376812863448125
Energy: 0.40053652616623603
Energy: 0.3833581392935458
Energy: 0.35868849241435025
Energy: 0.3581135936327179
Energy: 0.3831445869223505
Energy: 0.38937355900772896
Energy: 0.35868849241435025
Energy: 0.3581135936331762
Energy: 0.39514087878106546
Energy: 0.34363508955324873
Energy: 0.44142353349594476
Energy: 0.37925353663792466
Energy: 0.40615071153960164
Energy: 0.34363508955233213
Energy: 0.441423533496403
Energy: 0.3792535366388413
Energy: 0.39029204428651976
Energy: 0.35849400543062965
Energy: 0.4707557367338885
Energy: 0.38979186619458583
Energy: 0.39029204428606146
Energy: 0.35849400543062965
Energy: 0.4707557367334302
Energy: 0.34359305385496036
Energy: 0.40039259740035427
Energy: 0.3740306422768517
Energy: 0.41890507114321995
Energy: 0.3435930538554187
Energy: 0.40039259739943756
Energy: 0.3740306422763934
Energy: 0.4106862570281432
Energy: 0.35814068898443524
Energy: 0.44878817541500665
Energy: 0.3764251423492825
Energy: 0.41068625702768496
Energy: 0.3581406889858102
Energy: 0.44878817541546495
Energy: 0.34363214350859633
Energy: 0.4226507587791348
Energy: 0.37442610987635605
Energy: 0.42325894012525683
Energy: 0.34363214350859633
Energy: 0.42265075877730157
Energy: 0.3744261098754394
Energy: 0.4108869202352319
Energy: 0.3764016573836724
Energy: 0.44875864497321744
Energy: 0.35818923023619753
Energy: 0.4108869202343153
Energy: 0.3764016573832141
Energy: 0.4487586449736758
Energy: 0.34360845736412055
Energy: 0.418902212050984
Energy: 0.3739807774082719
Energy: 0.4004234481986354
Energy: 0.34360845736412055
Energy: 0.418902212050984
Energy: 0.3739807774091885
Energy: 0.39032481805163305
Energy: 0.38954473277913454
Energy: 0.514454006301059
Energy: 0.35852121094133166
Energy: 0.3903248180493415
Energy: 0.3895447327786762
Energy: 0.5144540063015174
Energy: 0.3434691906496204
Energy: 0.4063194932642529
Energy: 0.3791465002544654
Energy: 0.441476076815977
Energy: 0.3434691906496204
Energy: 0.4063194932633363
Energy: 0.3791465002549237
Energy: 0.35869442785570393
Energy: 0.3898044024307293
Energy: 0.4118672943839504
Energy: 0.35818273322681593
Energy: 0.35869442785662065
Energy: 0.3898044024311875
Energy: 0.4118672943839504

minimum gb energy = 0.3434691906496204 eV
minimum distance =  2.42792104139971 Angstroms
sigma value = 113


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

Energy: 0.45336053252142455
Energy: 0.4517060206669382
Energy: 0.42688968307807895
Energy: 0.45092570738215754
Energy: 0.45336053252040137
Energy: 0.4517060206656361
Energy: 0.4268896830788231
Energy: 0.4340848026907927
Energy: 0.4355590949764512
Energy: 0.48550771388010366
Energy: 0.4394310559643735
Energy: 0.4340848026900485
Energy: 0.4355590949777069
Energy: 0.48550771387805736
Energy: 0.45370301900172844
Energy: 0.4395399427559556
Energy: 0.46626272211742276
Energy: 0.43822974864808295
Energy: 0.4537030190040537
Energy: 0.43953994275442093
Energy: 0.46626272211974806
Energy: 0.38912571812398716
Energy: 0.44993842497444614
Energy: 0.42577686418772975
Energy: 0.42770944564000196
Energy: 0.3891257181250103
Energy: 0.4499384249764924
Energy: 0.42577686418949695
Energy: 0.4506317095695459
Energy: 0.41111350599835683
Energy: 0.4328779863024584
Energy: 0.4081368247623803
Energy: 0.4506317095672671
Energy: 0.41111350599937996
Energy: 0.4328779863029699
Energy: 0.4040594153534251
Energy: 0.4431176701184523
Energy: 0.4192879319846764
Energy: 0.427118859191137
Energy: 0.4040594153510999
Energy: 0.44311767011794073
Energy: 0.4192879319849554
Energy: 0.4599545280404415
Energy: 0.433302950730935
Energy: 0.4420185938068321
Energy: 0.3958038597414237
Energy: 0.4599545280399299
Energy: 0.43330295072809816
Energy: 0.4405549681558899
Energy: 0.40456726603693155
Energy: 0.43131310945744983
Energy: 0.4388855671673205
Energy: 0.43490227502609463
Energy: 0.40456726603437376
Energy: 0.43131310945744983
Energy: 0.4388855671693668
Energy: 0.4550312879408468
Energy: 0.41613622770529857
Energy: 0.4244939633903202
Energy: 0.40295719921160744
Energy: 0.45503128793907965
Energy: 0.41613622770608916
Energy: 0.42449396338906453
Energy: 0.39082875142312573
Energy: 0.42698134299727714
Energy: 0.42805386312200877
Energy: 0.44626788609847623
Energy: 0.39082875142489293
Energy: 0.42698134299750967
Energy: 0.4280538631235435
Energy: 0.4546503632377701
Energy: 0.42691420226911014
Energy: 0.4265655540068219
Energy: 0.4144388038713713
Energy: 0.4546503632352123
Energy: 0.426914202267808
Energy: 0.42656555400733337
Energy: 0.4224404552960563
Energy: 0.42788747730061216
Energy: 0.44460187607751445
Energy: 0.4286347211982533
Energy: 0.42244045529452157
Energy: 0.4278874772998216
Energy: 0.44460187607495666
Energy: 0.4575473605254235
Energy: 0.4371497611318361
Energy: 0.43899507915496105
Energy: 0.4245773396981442
Energy: 0.45754736052593503
Energy: 0.43714976113132453
Energy: 0.4356059045816061
Energy: 0.43878858115158526
Energy: 0.4511868296498048
Energy: 0.44736460670977773
Energy: 0.43864508821302384
Energy: 0.4387885811502831
Energy: 0.4511868296508279
Energy: 0.4473646067072199
Energy: 0.45275681926368255
Energy: 0.43919652334657766
Energy: 0.4673760479917425
Energy: 0.4476374163046894
Energy: 0.45275681926191536
Energy: 0.43919652334708925
Energy: 0.4673247020274269
Energy: 0.45196255037241895
Energy: 0.4384088501973515
Energy: 0.4247437999622956
Energy: 0.43995760820442553
Energy: 0.45196255037241895
Energy: 0.43840885019656084
Energy: 0.42474379996331874
Energy: 0.4720920715327438
Energy: 0.4347607509293
Energy: 0.4581407211236698
Energy: 0.4236943785803947
Energy: 0.47209207153479
Energy: 0.4347607509290674
Energy: 0.45814072112446047
Energy: 0.4136182291600791
Energy: 0.42110198819607647
Energy: 0.4283677200076881
Energy: 0.42978623202858696
Energy: 0.41361822916082325
Energy: 0.4211019881952859
Energy: 0.4283677200115015
Energy: 0.48120683572674894
Energy: 0.4237740914409285
Energy: 0.4574802684091177
Energy: 0.4127025000927052
Energy: 0.48120683572674894
Energy: 0.4237740914388823
Energy: 0.4574802684091177
Energy: 0.4078957442211169
Energy: 0.4262614009068925
Energy: 0.42834609791118033
Energy: 0.40787283483384024
Energy: 0.4078957442236747
Energy: 0.4262614009056368
Energy: 0.4283460979109013
Energy: 0.4482027491103194
Energy: 0.41455445033048255
Energy: 0.44895541239701436
Energy: 0.4028089092174955
Energy: 0.4482027491108309
Energy: 0.4145544503320172
Energy: 0.4340270473442469
Energy: 0.4374656708214869
Energy: 0.41969991979133575
Energy: 0.44133544702487526
Energy: 0.41612011568837687
Energy: 0.4374656708214869
Energy: 0.41969991978696425
Energy: 0.4413354470243637
Energy: 0.4217598252969337
Energy: 0.4245020259489922
Energy: 0.4360129150867109
Energy: 0.44564206056437916
Energy: 0.42175982529284123
Energy: 0.4245020259482017
Energy: 0.43601291509029183
Energy: 0.4466849289153423
Energy: 0.4123632033158296
Energy: 0.4380449607881866
Energy: 0.42028728908743973
Energy: 0.4466849289135286
Energy: 0.4123632033158296
Energy: 0.43804496079279065
Energy: 0.4113663568276392
Energy: 0.4533830624051852
Energy: 0.4464917782864002
Energy: 0.4539825572227494
Energy: 0.41136635682456985
Energy: 0.45338306240671994
Energy: 0.4464917782858886
Energy: 0.40072659779849323
Energy: 0.4105224453958232
Energy: 0.44032345855192784
Energy: 0.4283218023955307
Energy: 0.400726597797191
Energy: 0.4105224453958232
Energy: 0.44032345855267196
Energy: 0.41869809859887835
Energy: 0.44267947485752324
Energy: 0.4289023192824468
Energy: 0.4578705281042804
Energy: 0.4186980986011571
Energy: 0.44267947485752324
Energy: 0.43186947788618635
Energy: 0.40133880960743806
Energy: 0.40081038269960195
Energy: 0.4222175387501198
Energy: 0.45537986964320765
Energy: 0.40133880960948437
Energy: 0.4008103827011366
Energy: 0.42221753875244505
Energy: 0.4295824729405129
Energy: 0.4357364051562739
Energy: 0.4306448730983672
Energy: 0.4452732878593854
Energy: 0.42958247294102436
Energy: 0.43573640515706447
Energy: 0.4306448730930191
Energy: 0.400011797639295
Energy: 0.4042870285243543
Energy: 0.42826882600741906
Energy: 0.4536695096865737
Energy: 0.40001179763650474
Energy: 0.4042870285235637
Energy: 0.42826882600741906
Energy: 0.4402600452476428
Energy: 0.4421798140278654
Energy: 0.45669753583756156
Energy: 0.4462458336726489
Energy: 0.4402600452484334
Energy: 0.44217981402865597
Energy: 0.45669753583756156
Energy: 0.40646518263010567
Energy: 0.4087225042022917
Energy: 0.4138931667395739
Energy: 0.41963937105979005
Energy: 0.40646518263368653
Energy: 0.4087225042030823
Energy: 0.4138931667382717
Energy: 0.3944728089232857
Energy: 0.43555716226515834
Energy: 0.4307488466928767
Energy: 0.4383239173794392
Energy: 0.3944728089243088
Energy: 0.4355571622672046
Energy: 0.4307488466926441
Energy: 0.38392757666805716
Energy: 0.4378808282509506
Energy: 0.43083611666939836
Energy: 0.4194966336050945
Energy: 0.38392757667033595
Energy: 0.4378808282496949
Energy: 0.43083611666963095
Energy: 0.40231611310708654
Energy: 0.417328462748186
Energy: 0.4031325028685091
Energy: 0.4358683983423816
Energy: 0.4023161131058308
Energy: 0.4173284627497207
Energy: 0.4031325028659513
Energy: 0.4040780847411172
Energy: 0.4376788151527817
Energy: 0.4323762073111161
Energy: 0.4081440027222021
Energy: 0.4040780847418613
Energy: 0.43767881515022383
Energy: 0.4323762073128834
Energy: 0.40134845993833357
Energy: 0.4167950339469953
Energy: 0.421970789204751
Energy: 0.4470317682206759
Energy: 0.40134845993907764
Energy: 0.4167950339480185
Energy: 0.42197078920554154
Energy: 0.41259710067330474
Energy: 0.4366214009019585
Energy: 0.43915789893234763
Energy: 0.4365783446313361
Energy: 0.41259710067330474
Energy: 0.43662140089991225
Energy: 0.43915789893006885
Energy: 0.41074388858133154
Energy: 0.41882007424073125
Energy: 0.4296766612942275
Energy: 0.4512100073101062
Energy: 0.4107438885777506
Energy: 0.41882007423715034
Energy: 0.42967666129194876
Energy: 0.41547095463880734
Energy: 0.4439619190132944
Energy: 0.4355601090157782
Energy: 0.4142257337553727
Energy: 0.41547095463903977
Energy: 0.44396191901306187
Energy: 0.43556010901782444
Energy: 0.42881202930695206
Energy: 0.41996124313611716
Energy: 0.4532583606808137
Energy: 0.43262388128146423
Energy: 0.42881202930388274
Energy: 0.41996124313532657
Energy: 0.4532583606823484
Energy: 0.41354533931481835
Energy: 0.4412680739258153
Energy: 0.44889702421364414
Energy: 0.4338791467451917
Energy: 0.41354533931635307
Energy: 0.4412680739255827
Energy: 0.4488970242138767
Energy: 0.4358988338453838
Energy: 0.4210101973021841
Energy: 0.44119273744513093
Energy: 0.4449043472379346
Energy: 0.435898833846407
Energy: 0.4210101972996263
Energy: 0.4411927374428057
Energy: 0.4399023843371134
Energy: 0.4306893467927957
Energy: 0.4485507057831116
Energy: 0.40813943975964434
Energy: 0.4399023843404618
Energy: 0.43068934679126103
Energy: 0.4485507057823675
Energy: 0.4070024912246963
Energy: 0.43664123722098513
Energy: 0.4286894687970576
Energy: 0.4583053456660954
Energy: 0.4070024912254868
Energy: 0.43664123721768333
Energy: 0.4286894687980807

minimum gb energy = 0.38392757666805716 eV
minimum distance =  2.49049897226683 Angstroms
sigma value = 365


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

Energy: 0.5538011510820644
Energy: 0.44806242469835367
Energy: 0.5044047743806115
Energy: 0.448062424697777
Energy: 0.5538011510814878
Energy: 0.44806242469835367
Energy: 0.46185350466214964
Energy: 0.5538011510803345
Energy: 0.44806242469893043
Energy: 0.4696379665307832
Energy: 0.44806242469720037
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.5048749422974238
Energy: 0.5538011510809111
Energy: 0.44806242469662366
Energy: 0.44902142417825885
Energy: 0.448062424697777
Energy: 0.553801151082641
Energy: 0.44806242469604696
Energy: 0.5048749422956936
Energy: 0.5538011510820644
Energy: 0.44806242469720037
Energy: 0.490009612851914
Energy: 0.448062424697777
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.5048749422962705
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.4900070648477595
Energy: 0.448062424697777
Energy: 0.5538011510814878
Energy: 0.44806242469662366
Energy: 0.5048749422997306
Energy: 0.5538011510814878
Energy: 0.448062424697777
Energy: 0.42415425918883154
Energy: 0.44806242469835367
Energy: 0.5538011510820644
Energy: 0.44806242469720037
Energy: 0.4900070649048255
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.490009571268606
Energy: 0.44806242469835367
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.45387726491053765
Energy: 0.5538011510803345
Energy: 0.448062424697777
Energy: 0.4900070648806307
Energy: 0.44806242469720037
Energy: 0.5538011510814878
Energy: 0.44806242469720037
Energy: 0.4900070649025187
Energy: 0.5538011510814878
Energy: 0.44806242469604696
Energy: 0.5048749422945403
Energy: 0.44806242469893043
Energy: 0.553801151082641
Energy: 0.44806242469720037
Energy: 0.5048749422939636
Energy: 0.5538011510820644
Energy: 0.44806242469835367
Energy: 0.4618526698092087
Energy: 0.448062424697777
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.4538759124537338
Energy: 0.5538011510803345
Energy: 0.44806242469835367
Energy: 0.49000706485467976
Energy: 0.44806242469835367
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.4737044911686109
Energy: 0.5538011510809111
Energy: 0.44806242469835367
Energy: 0.5048749423037673
Energy: 0.448062424697777
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.504874942302614
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.504874942302614
Energy: 0.44806242469835367
Energy: 0.5538011510809111
Energy: 0.44806242469835367
Energy: 0.5048749422980006
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.5048749423014606
Energy: 0.44806242469835367
Energy: 0.5538011510820644
Energy: 0.44806242469835367
Energy: 0.5048749423031906
Energy: 0.5538011510809111
Energy: 0.44806242469662366
Energy: 0.5048749422928103
Energy: 0.44806242469835367
Energy: 0.553801151082641
Energy: 0.44806242469662366
Energy: 0.5048749422945403
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.5048749422980006
Energy: 0.448062424697777
Energy: 0.5538011510803345
Energy: 0.448062424697777
Energy: 0.5048749422962705
Energy: 0.5538011510803345
Energy: 0.448062424697777
Energy: 0.504874942302614
Energy: 0.44806242469835367
Energy: 0.5538011510814878
Energy: 0.44806242469720037
Energy: 0.5048749423020372
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.504874942302614
Energy: 0.44806242469835367
Energy: 0.5538011510820644
Energy: 0.44806242469720037
Energy: 0.5048749423031906
Energy: 0.5538011510820644
Energy: 0.448062424697777
Energy: 0.504874942302614
Energy: 0.44806242469835367
Energy: 0.5538011510809111
Energy: 0.448062424697777
Energy: 0.5048749422974238
Energy: 0.5538011510803345
Energy: 0.448062424697777
Energy: 0.5048749422985772
Energy: 0.44806242469835367
Energy: 0.5538011510814878
Energy: 0.448062424697777
Energy: 0.5048749423008839

minimum gb energy = 0.42415425918883154 eV
minimum distance =  2.61192199372863 Angstroms
sigma value = 23