Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.870000079274177
cohesive_energy=4.280336473607806
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: -1e-07 eV

========================================
theta = 0.0
========================================

Energy: 0.016076272062592142
Energy: 0.16799986627217625
Energy: 0.01607627206299839
Energy: 0.16799986627217625
Energy: 0.01607627206299839
Energy: 0.16799986627298877
Energy: 0.01607627206299839
Energy: 0.016971516915603467
Energy: 0.6421494673298856
Energy: 0.016971516915603467
Energy: 0.6421494673302919
Energy: 0.016971516915603467
Energy: 0.6421494673302919
Energy: 0.016971516915242353
Energy: 1.1585064439235928
Energy: 0.5477622368344116
Energy: 1.7006804338159547
Energy: 0.5477622368356079
Energy: 0.016542177706819
Energy: 0.5477622368387901
Energy: 0.016542177706819
Energy: 0.016971516915242353
Energy: 0.6421494673298856
Energy: 0.016971516915242353
Energy: 0.6421494673302919
Energy: 0.016971516915242353
Energy: 0.6421494673302919
Energy: 0.016971516915242353
Energy: 0.01607627206299839
Energy: 0.1679998662725825
Energy: 0.01607627206299839
Energy: 0.1679998662725825
Energy: 0.01607627206299839
Energy: 0.1679998662725825
Energy: 0.01607627206299839
Energy: 0.016971516915242353
Energy: 0.642149467330653
Energy: 0.016971516915242353
Energy: 0.6421494673310593
Energy: 0.016971516915242353
Energy: 0.642149467330653
Energy: 0.016971516915242353

minimum gb energy = 0.016076272062592142 eV
minimum distance =  2.48106144719486 Angstroms
sigma value = 5


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

Energy: 1.4391370878319467
Energy: 1.401807147469757
Energy: 1.4391370878334027
Energy: 1.4018071474687863
Energy: 1.439137087832432
Energy: 1.4018071474692717
Energy: 1.4391370878329173
Energy: 1.368745989107106
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Energy: 1.3718964215692218
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Energy: 1.3687459891080769
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Energy: 1.3917682653692522
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Energy: 1.2972358806094488
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Energy: 1.3389824786649702
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Energy: 1.2836882659626547
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Energy: 1.3726079612556985
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Energy: 1.346852095029764
Energy: 1.363183395009631
Energy: 1.346852095028308
Energy: 1.3631833950101164
Energy: 1.346852095029764
Energy: 1.363183395009631
Energy: 1.3375317465560816
Energy: 1.374474730899234
Energy: 1.3375317465521994
Energy: 1.3744747309016605
Energy: 1.3375317465560816
Energy: 1.3744747308987486
Energy: 1.3375317465517143
Energy: 1.3370168327725973
Energy: 1.3853313560297253
Energy: 1.337016832772112
Energy: 1.3853313560277842
Energy: 1.3370168327725973
Energy: 1.3853313560297253
Energy: 1.3370168327716268
Energy: 1.3038307549009986
Energy: 1.3437901746970864
Energy: 1.3038307549019692
Energy: 1.3437901746980567
Energy: 1.3038307549014838
Energy: 1.3437901746970864
Energy: 1.3038307549029398
Energy: 1.3060756797769317
Energy: 1.3240683427416116
Energy: 1.3060756797764466
Energy: 1.3240683427450084
Energy: 1.3060756797764466
Energy: 1.3240683427420967
Energy: 1.3060756797764466
Energy: 1.3285781207497434
Energy: 1.3738111572227172
Energy: 1.3285781207478025
Energy: 1.3738111572183498
Energy: 1.3285781207502287
Energy: 1.3738111572227172
Energy: 1.3285781207482876

minimum gb energy = 1.283688265961684 eV
minimum distance =  2.31099662731684 Angstroms
sigma value = 401


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

Energy: 1.5294772986649092
Energy: 1.4548187067258935
Energy: 1.529477298662155
Energy: 1.4548187067264442
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Energy: 1.4278769632353288
Energy: 1.484127533778627
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Energy: 1.484127533778627
Energy: 1.4278769632364305
Energy: 1.4841275337791775
Energy: 1.427876963234778
Energy: 1.4274356098612715
Energy: 1.4835170834219242
Energy: 1.427435609859619
Energy: 1.4835170834252296
Energy: 1.4274356098579666
Energy: 1.4835170834213736
Energy: 1.42743560986017
Energy: 1.3668827911532722
Energy: 1.4035623073662187
Energy: 1.3668827911554757
Energy: 1.4035623073656678
Energy: 1.366882791156577
Energy: 1.4035623073662187
Energy: 1.366882791154374
Energy: 1.3645860958314595
Energy: 1.4317537917362413
Energy: 1.3645860958314595
Energy: 1.431753791737343
Energy: 1.3645860958309086
Energy: 1.4317537917362413
Energy: 1.3645860958287053
Energy: 1.358374451584277
Energy: 1.365272982957861
Energy: 1.3583744515848277
Energy: 1.3652729829584116
Energy: 1.358374451584277
Energy: 1.365272982957861
Energy: 1.3583744515848277
Energy: 1.3691787099428758
Energy: 1.3620320328979205
Energy: 1.3691787099423247
Energy: 1.3620320328973698
Energy: 1.3691787099428758
Energy: 1.3620320328979205
Energy: 1.3691787099417738
Energy: 1.447483020967698
Energy: 1.4201774537454024
Energy: 1.4474830209682492
Energy: 1.4201774537459533
Energy: 1.447483020967698
Energy: 1.4201774537454024
Energy: 1.4474830209682492
Energy: 1.324080433608513
Energy: 1.3783939088837545
Energy: 1.3240804336107166
Energy: 1.3783939088843054
Energy: 1.324080433609064
Energy: 1.3783939088810002
Energy: 1.3240804336107166

minimum gb energy = 1.3240804336079623 eV
minimum distance =  2.31123628144689 Angstroms
sigma value = 311


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

Energy: 1.4379412501762163
Energy: 1.5099560855343053
Energy: 1.3820954930677072
Energy: 1.428203584686396
Energy: 1.4379412501755802
Energy: 1.5099560855343053
Energy: 1.3820954930670712
Energy: 1.4009724238545402
Energy: 1.3380264837459892
Energy: 1.354986915538001
Energy: 1.3494223940310934
Energy: 1.4009724238545402
Energy: 1.3380264837459892
Energy: 1.3549869155360927
Energy: 1.360241899958533
Energy: 1.3956419270499283
Energy: 1.3601690800476927
Energy: 1.391285385399349
Energy: 1.360241899959169
Energy: 1.3956419270512002
Energy: 1.360169080049601
Energy: 1.3859463306979827
Energy: 1.4599059799344083
Energy: 1.386039954696457
Energy: 1.4599059799344083
Energy: 1.3859463306973465
Energy: 1.4599059799337721
Energy: 1.386039954696457
Energy: 1.4776954618420166
Energy: 1.4636403237955282
Energy: 1.4776494476959778
Energy: 1.463640323794892
Energy: 1.4776954618426525
Energy: 1.4636403237955282
Energy: 1.477649447696614
Energy: 1.3868935696499534
Energy: 1.557491617946308
Energy: 1.3868935696505895
Energy: 1.5588076024999034
Energy: 1.3868935696499534
Energy: 1.5574916179450358
Energy: 1.3868935696505895
Energy: 1.3853752683698681
Energy: 1.5258536583693094
Energy: 1.385375268369232
Energy: 1.5249658020144656
Energy: 1.3853752683698681
Energy: 1.5258536583693094
Energy: 1.3853752683698681
Energy: 1.4473281014716672
Energy: 1.4543551385386702
Energy: 1.4473281014729396
Energy: 1.454355138538034
Energy: 1.4473281014716672
Energy: 1.4543551385393063
Energy: 1.4473281014710315
Energy: 1.4617754232850215
Energy: 1.455912644604181
Energy: 1.4617754232856577
Energy: 1.4559126446048172
Energy: 1.4617754232850215
Energy: 1.4559126446060893
Energy: 1.4617754232850215
Energy: 1.3318564491777831
Energy: 1.418391412807552
Energy: 1.3318583584064903
Energy: 1.4182303223020998
Energy: 1.331856449178419
Energy: 1.418391412806916
Energy: 1.3318583584071262
Energy: 1.3449418784649132
Energy: 1.4427380053639776
Energy: 1.3449689905415767
Energy: 1.4430736894667042
Energy: 1.3449418784668214
Energy: 1.4427380053646137
Energy: 1.3449689905409405
Energy: 1.4852116077771438
Energy: 1.464715355575157
Energy: 1.4852116077765076
Energy: 1.4647153555764292
Energy: 1.4852116077765076
Energy: 1.464715355575157
Energy: 1.4852116077765076
Energy: 1.4267379293838072
Energy: 1.4783718122419383
Energy: 1.4267379293844433
Energy: 1.478371812241302
Energy: 1.4267379293844433
Energy: 1.478371812241302
Energy: 1.4267379293838072
Energy: 1.3708191604292674
Energy: 1.3976077315807236
Energy: 1.3708191604273592
Energy: 1.3976077315800874
Energy: 1.3708191604286315
Energy: 1.3976077315813598
Energy: 1.3708191604286315
Energy: 1.4973982998391122
Energy: 1.4024635600362227
Energy: 1.4404997949923501
Energy: 1.4029877225998115
Energy: 1.4973982998391122
Energy: 1.4024635600362227
Energy: 1.4404997949929863
Energy: 1.4443402958227942
Energy: 1.4558007808203859
Energy: 1.3829769517987913
Energy: 1.4558007808210218
Energy: 1.444340295822158
Energy: 1.4558007808210218
Energy: 1.3829769517987913
Energy: 1.3436085248857137
Energy: 1.3869097334615414
Energy: 1.3273868936566269
Energy: 1.3870453368682991
Energy: 1.3436085248857137
Energy: 1.3869097334615414
Energy: 1.3273868936566269
Energy: 1.3411168332857168
Energy: 1.4251608367546147
Energy: 1.3411213773226687
Energy: 1.3864495639116845
Energy: 1.341116833284445
Energy: 1.4251608367546147
Energy: 1.3411213773233048
Energy: 1.4750373459752724
Energy: 1.5837454659204333
Energy: 1.4750373459733641
Energy: 1.4173799279117987
Energy: 1.4750373459746362
Energy: 1.5837454659217052
Energy: 1.4860693183649254
Energy: 1.4473457127654625
Energy: 1.5005563002305107
Energy: 1.4473457127648264
Energy: 1.508574348052274
Energy: 1.4473457127667346
Energy: 1.5005563002317825
Energy: 1.4473457127673706
Energy: 1.390030159434612
Energy: 1.3947910671027142
Energy: 1.3900301594352482
Energy: 1.3947910671027142
Energy: 1.3900301594358844
Energy: 1.3947910671027142
Energy: 1.3900301594352482
Energy: 1.4100409560796445
Energy: 1.4740900844042617
Energy: 1.4100409560790086
Energy: 1.4740900844042617
Energy: 1.4100409560790086
Energy: 1.4740900844042617
Energy: 1.4100409560796445
Energy: 1.4650366368639602
Energy: 1.443308741596919
Energy: 1.491258820647844
Energy: 1.4088558413307346
Energy: 1.500672677472715
Energy: 1.4433087415956467
Energy: 1.434141432047012
Energy: 1.4633268443202812
Energy: 1.5323114959027886
Energy: 1.423179145070853
Energy: 1.5103206957446642
Energy: 1.4633268443202812
Energy: 1.5323114959015165
Energy: 1.423179145070853
Energy: 1.3448031983889555
Energy: 1.3872819630223057
Energy: 1.344774506015354
Energy: 1.3869802339510173
Energy: 1.3448031983883193
Energy: 1.3872819630223057
Energy: 1.3447745060140819
Energy: 1.4536275228350395
Energy: 1.4911256994351263
Energy: 1.458076829684968
Energy: 1.4999494496911245
Energy: 1.4536275228356754
Energy: 1.4911256994357625
Energy: 1.458076829684968
Energy: 1.4627770095667654
Energy: 1.463507486793477
Energy: 1.4619300488800302
Energy: 1.463507486794113
Energy: 1.4627770095674015
Energy: 1.4635074867953852
Energy: 1.3913936730261869
Energy: 1.439006452893089
Energy: 1.5505156332597447
Energy: 1.439006452892453
Energy: 1.5538749968508516
Energy: 1.439006452892453
Energy: 1.550515633261017
Energy: 1.4390064528943614
Energy: 1.3851931301990168
Energy: 1.381749217563285
Energy: 1.3851931301990168
Energy: 1.381749217563285
Energy: 1.3851931301983806
Energy: 1.3817492175645572
Energy: 1.3851931301983806
Energy: 1.4206082430946916
Energy: 1.4880208528180319
Energy: 1.4206082430953275
Energy: 1.4880208528193042
Energy: 1.4206082430965996
Energy: 1.488020852818668
Energy: 1.4206082430953275
Energy: 1.4471802832252199
Energy: 1.4625260028510676
Energy: 1.447180283225856
Energy: 1.4625260028510676
Energy: 1.4814843961436281
Energy: 1.4625260028510676
Energy: 1.4814889102910993
Energy: 1.3498224073292342
Energy: 1.4320892344628735
Energy: 1.3497623446777758
Energy: 1.432051637704797
Energy: 1.3498224073305065
Energy: 1.4320892344628735
Energy: 1.3497623446784117
Energy: 1.351392765719101
Energy: 1.3632609563133467
Energy: 1.3458156457150312
Energy: 1.363262686652151
Energy: 1.351392765720373
Energy: 1.363260956313983
Energy: 1.3458156457156674
Energy: 1.4853662653633122
Energy: 1.5131610846086956
Energy: 1.4853662653639483
Energy: 1.5131610846093315
Energy: 1.4853662653639483
Energy: 1.5131610846093315
Energy: 1.4853662653633122
Energy: 1.5650086148654154
Energy: 1.5396309534945503
Energy: 1.565105068906804
Energy: 1.4027677168873465
Energy: 1.5650086148647793
Energy: 1.5396309534932782
Energy: 1.565105068906804
Energy: 1.3705049550464459
Energy: 1.4195600144640128
Energy: 1.3705049550470816
Energy: 1.4195600144640128
Energy: 1.370504955048354
Energy: 1.4195600144633767
Energy: 1.3705049550477177

minimum gb energy = 1.3273868936566269 eV
minimum distance =  2.28426195580611 Angstroms
sigma value = 39


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

Energy: 1.365684985412492
Energy: 1.4681000835984515
Energy: 1.365684985412492
Energy: 1.4681000835977007
Energy: 1.3656849854132425
Energy: 1.468100083599202
Energy: 1.365684985412492
Energy: 1.4075350520736565
Energy: 1.269132670785722
Energy: 1.4075350520759087
Energy: 1.269132670785722
Energy: 1.4075350520766594
Energy: 1.269132670785722
Energy: 1.4075350520744072
Energy: 1.3303644704949211
Energy: 1.3200030689544637
Energy: 1.3303644704926691
Energy: 1.3200030689544637
Energy: 1.3303644704919184
Energy: 1.3200030689529623
Energy: 1.3303644704949211
Energy: 1.4790115198247602
Energy: 1.2691983410879117
Energy: 1.47901151982401
Energy: 1.2691983410879117
Energy: 1.47901151982401
Energy: 1.269198341089413
Energy: 1.4790115198255112
Energy: 1.4072462770337786
Energy: 1.271811176296744
Energy: 1.4072462770352798
Energy: 1.271811176296744
Energy: 1.4072462770337786
Energy: 1.2718111762944917
Energy: 1.4072462770315264
Energy: 1.4456468189462996
Energy: 1.3738684734468745
Energy: 1.4456468189455491
Energy: 1.3738684734453728
Energy: 1.4456468189455491
Energy: 1.3738684734446223
Energy: 1.4456468189455491
Energy: 1.4779411869275099
Energy: 1.373764166787027
Energy: 1.4772454637957197
Energy: 1.3737641667877778
Energy: 1.4480401249488266
Energy: 1.3737641667877778
Energy: 1.4077055651482593
Energy: 1.436506598781928
Energy: 1.4068561047255543
Energy: 1.436506598782679
Energy: 1.4068561047270556
Energy: 1.4365065987841803
Energy: 1.4068561047248038
Energy: 1.4365065987834293
Energy: 1.4863274318154653
Energy: 1.4080226194814698
Energy: 1.4863274318177173
Energy: 1.4080226194814698
Energy: 1.4863274318169666
Energy: 1.4080226194807188
Energy: 1.4863274318169666
Energy: 1.3297307796117912
Energy: 1.5048399764963118
Energy: 1.3297307796080378
Energy: 1.5048399764955611
Energy: 1.3297307796087883
Energy: 1.5048399764978133
Energy: 1.3297307796110402
Energy: 1.4480855329792248
Energy: 1.417889872538552
Energy: 1.4071432223471885
Energy: 1.4178898725363
Energy: 1.4071432223449365
Energy: 1.4178898725363
Energy: 1.4071432223471885
Energy: 1.3305718515979987
Energy: 1.2696029096065609
Energy: 1.3305718515964975
Energy: 1.269602909608062
Energy: 1.330571851597248
Energy: 1.2696029096073114
Energy: 1.3305718515964975
Energy: 1.3562635156256344
Energy: 1.2866100163856509
Energy: 1.3562635156233824
Energy: 1.2866100163864016
Energy: 1.3562635156233824
Energy: 1.2866100163871523
Energy: 1.3562635156233824
Energy: 1.3306011844361976
Energy: 1.269848589902046
Energy: 1.330601184436948
Energy: 1.269848589902046
Energy: 1.3306011844339454
Energy: 1.2698485899012952
Energy: 1.3306011844354466
Energy: 1.4038719505594928
Energy: 1.3473398465976159
Energy: 1.4038719505609942
Energy: 1.3473398465976159
Energy: 1.4403415920002307
Energy: 1.3473398465961146
Energy: 1.4687372225356798
Energy: 1.330590909924862
Energy: 1.3743544814686564
Energy: 1.3305909099226099
Energy: 1.3743544814724098
Energy: 1.3305909099241113
Energy: 1.374354481469407
Energy: 1.3305909099233606
Energy: 1.486917802363562
Energy: 1.4076539350747308
Energy: 1.486917802364313
Energy: 1.4076539350747308
Energy: 1.486917802363562
Energy: 1.4076539350747308
Energy: 1.486917802364313
Energy: 1.4370688683647335
Energy: 1.4069617464004107
Energy: 1.4370688683654844
Energy: 1.4069617464004107
Energy: 1.437068868366235
Energy: 1.4069617464011615
Energy: 1.4370688683669857
Energy: 1.3470567331519248
Energy: 1.4123121137613814
Energy: 1.3470567331481713
Energy: 1.412312113760631
Energy: 1.3470567331474206
Energy: 1.4123121137621322
Energy: 1.3470567331504233
Energy: 1.3295881374982077
Energy: 1.4683730832552506
Energy: 1.3295881374959555
Energy: 1.4683730832537494
Energy: 1.3295881374967065
Energy: 1.4683730832522481
Energy: 1.329588137497457
Energy: 1.407316966235114
Energy: 1.2713712452625157
Energy: 1.4073169662358642
Energy: 1.2713712452625157
Energy: 1.407316966235114
Energy: 1.2713712452610142
Energy: 1.4073169662381164
Energy: 1.329000614100664
Energy: 1.2695190660492126
Energy: 1.3290006141029163
Energy: 1.2695190660514648
Energy: 1.3290006141014148
Energy: 1.2695190660492126
Energy: 1.329000614100664
Energy: 1.3478355824008696
Energy: 1.2716151664821957
Energy: 1.347835582402371
Energy: 1.2716151664829465
Energy: 1.347835582404623
Energy: 1.2716151664836972
Energy: 1.3478355824031216
Energy: 1.4080329827526346
Energy: 1.269190004846094
Energy: 1.4080329827548865
Energy: 1.269190004846094
Energy: 1.408032982754136
Energy: 1.2691900048453433
Energy: 1.408032982754136
Energy: 1.4488460353891415
Energy: 1.3755630436839286
Energy: 1.4488460353891415
Energy: 1.3755630436854298
Energy: 1.4488460353906427
Energy: 1.3755630436831778
Energy: 1.4488460353913937
Energy: 1.4081620412472544
Energy: 1.4377323760758438
Energy: 1.4081620412472544
Energy: 1.4377323760765943
Energy: 1.408162041245753
Energy: 1.4377323760788463
Energy: 1.4081620412472544
Energy: 1.4376490889127695
Energy: 1.4088435227207685
Energy: 1.4376490889127695
Energy: 1.40884352272227
Energy: 1.4376490889097666
Energy: 1.4088435227237712
Energy: 1.4376490889112683
Energy: 1.4071507839287987
Energy: 1.4079437491803308
Energy: 1.4071507839310504
Energy: 1.4079437491803308
Energy: 1.4071507839310504
Energy: 1.4079437491788294
Energy: 1.4071507839310504
Energy: 1.3656849854132425
Energy: 1.4681000835977007
Energy: 1.3656849854132425
Energy: 1.4681000835977007
Energy: 1.3656849854132425
Energy: 1.4681000835984515
Energy: 1.365684985412492
Energy: 1.4075350520744072
Energy: 1.2691326707849715
Energy: 1.4075350520766594
Energy: 1.2691326707849715
Energy: 1.40753505207741
Energy: 1.2691326707849715
Energy: 1.4075350520751582

minimum gb energy = 1.2691326707849715 eV
minimum distance =  2.28421800900934 Angstroms
sigma value = 21


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

Energy: 1.297122000914101
Energy: 1.392648411895541
Energy: 1.297122000914101
Energy: 1.392648411895541
Energy: 1.297122000914101
Energy: 1.392648411895541
Energy: 1.297122000914101
Energy: 1.242434393726081
Energy: 1.2298440607230154
Energy: 1.242434393726081
Energy: 1.2298440607230154
Energy: 1.242434393726081
Energy: 1.2298440607230154
Energy: 1.2424343937251698
Energy: 1.2867444210562033
Energy: 1.2582256048008225
Energy: 1.2867444210562033
Energy: 1.2582256048008225
Energy: 1.2867444210562033
Energy: 1.2582256048008225
Energy: 1.2867444210562033
Energy: 1.2082452032719997
Energy: 1.2104290819494419
Energy: 1.2082452032719997
Energy: 1.2104290819503531
Energy: 1.2082452032719997
Energy: 1.2104290819503531
Energy: 1.2082452032719997
Energy: 1.1732388542994001
Energy: 1.1743615753756238
Energy: 1.1732388542994001
Energy: 1.1743615753756238
Energy: 1.1732388542994001
Energy: 1.1743615753756238
Energy: 1.1732388542994001
Energy: 1.1884909061069342
Energy: 1.2619153099389313
Energy: 1.1884909061078455
Energy: 1.2619153099398428
Energy: 1.1884909061069342
Energy: 1.2619153099389313
Energy: 1.1884909061078455
Energy: 1.1257680414830395
Energy: 1.2049420081783018
Energy: 1.1257680414830395
Energy: 1.2049420081773905
Energy: 1.1257680414830395
Energy: 1.2049420081755677
Energy: 1.1257680414830395
Energy: 1.1480083918717134
Energy: 1.2275192385109313
Energy: 1.1480083918717134
Energy: 1.2275192385109313
Energy: 1.1480083918717134
Energy: 1.2275192385109313
Energy: 1.1480083918717134
Energy: 1.1671279423652396
Energy: 1.176049746091877
Energy: 1.167127942363417
Energy: 1.176049746091877
Energy: 1.1671279423652396
Energy: 1.176049746091877
Energy: 1.167127942363417
Energy: 1.2068427468639247
Energy: 1.2289874355117125
Energy: 1.2068427468639247
Energy: 1.2289874355117125
Energy: 1.2068427468639247
Energy: 1.2289874355117125
Energy: 1.2068427468639247
Energy: 1.1259870219094588
Energy: 1.2282680072020526
Energy: 1.1259870219094588
Energy: 1.228268007202964
Energy: 1.1259870219094588
Energy: 1.2282680072020526
Energy: 1.1259870219094588
Energy: 1.1479925180073591
Energy: 1.2382376569725866
Energy: 1.1479925180064479
Energy: 1.2382376569725866
Energy: 1.1479925180073591
Energy: 1.2382376569725866
Energy: 1.1479925180064479
Energy: 1.1672524523667072
Energy: 1.1759780143207164
Energy: 1.1672524523667072
Energy: 1.1759780143207164
Energy: 1.1672524523667072
Energy: 1.1759780143207164
Energy: 1.1672524523667072
Energy: 1.209845041066628
Energy: 1.2575751435299722
Energy: 1.209845041066628
Energy: 1.2575751435299722
Energy: 1.209845041066628
Energy: 1.2575751435299722
Energy: 1.209845041066628
Energy: 1.2414066914162598
Energy: 1.227696703100681
Energy: 1.2414066914162598
Energy: 1.2276967030997699
Energy: 1.2414066914162598
Energy: 1.227696703100681
Energy: 1.2414066914153485
Energy: 1.247098830272926
Energy: 1.2287798394038145
Energy: 1.2470988302738375
Energy: 1.2287798394029033
Energy: 1.247098830272926
Energy: 1.2287798394038145
Energy: 1.2470988302738375
Energy: 1.2623563498898682
Energy: 1.2093524995317089
Energy: 1.2623563498898682
Energy: 1.2093524995317089
Energy: 1.2623563498898682
Energy: 1.2093524995317089
Energy: 1.2623563498898682
Energy: 1.2091203979676877
Energy: 1.257539329766776
Energy: 1.209120397968599
Energy: 1.257539329766776
Energy: 1.2091203979676877
Energy: 1.257539329766776
Energy: 1.209120397968599
Energy: 1.157143450153424
Energy: 1.2280368693532937
Energy: 1.1571434501525126
Energy: 1.2280368693532937
Energy: 1.157143450153424
Energy: 1.2280368693532937
Energy: 1.1571434501525126
Energy: 1.1477234685825823
Energy: 1.1746671203269667
Energy: 1.1477234685825823
Energy: 1.1746671203260552
Energy: 1.1477234685825823
Energy: 1.1746671203269667
Energy: 1.1477234685825823
Energy: 1.2075392169046353
Energy: 1.1764078123229105
Energy: 1.2075392169046353
Energy: 1.1764078123229105
Energy: 1.2075392169046353
Energy: 1.1764078123229105
Energy: 1.2075392169046353
Energy: 1.1259852331864966
Energy: 1.2049595385228702
Energy: 1.1259852331864966
Energy: 1.2049595385237815
Energy: 1.1259852331864966
Energy: 1.2049595385237815
Energy: 1.1259852331864966
Energy: 1.1249427022228187
Energy: 1.2278654157137379
Energy: 1.12494270222373
Energy: 1.2278654157128268
Energy: 1.1249427022228187
Energy: 1.2278654157137379
Energy: 1.12494270222373
Energy: 1.1264496162666526
Energy: 1.1749359169137914
Energy: 1.1264496162666526
Energy: 1.17493591691288
Energy: 1.1264496162666526
Energy: 1.1749359169137914
Energy: 1.1264496162657414
Energy: 1.207881307311965
Energy: 1.1741311958669747
Energy: 1.207881307311965
Energy: 1.1741311958669747
Energy: 1.207881307311965
Energy: 1.1741311958669747
Energy: 1.207881307311965

minimum gb energy = 1.1249427022228187 eV
minimum distance =  2.33344330846257 Angstroms
sigma value = 113


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

Energy: 1.116043778782856
Energy: 1.1051245053897243
Energy: 1.1160437787859074
Energy: 1.1051245053881984
Energy: 1.116043778782856
Energy: 1.1051245053892158
Energy: 1.116043778786416
Energy: 1.111796312747476
Energy: 1.0595298530872594
Energy: 1.1117963127469672
Energy: 1.0595298530857338
Energy: 1.111796312747476
Energy: 1.0595298530872594
Energy: 1.1117963127469672
Energy: 1.1053433040070628
Energy: 1.0847706579305014
Energy: 1.1053433040040113
Energy: 1.084770657929993
Energy: 1.1053433040070628
Energy: 1.0847706579310101
Energy: 1.1053433040040113
Energy: 1.075338043364466
Energy: 1.0598598284579583
Energy: 1.0753380433665005
Energy: 1.0598598284584668
Energy: 1.0753380433639574
Energy: 1.0598598284584668
Energy: 1.075338043365992
Energy: 1.0385866346806605
Energy: 1.073734940383469
Energy: 1.0385866346791348
Energy: 1.0737349403829604
Energy: 1.0385866346806605
Energy: 1.073734940383469
Energy: 1.0385866346791348
Energy: 1.0459754303033042
Energy: 1.0319042154386486
Energy: 1.0459754303063558
Energy: 1.0319042154366143
Energy: 1.0459754303033042
Energy: 1.0319042154386486
Energy: 1.0459754303068642
Energy: 1.0419525918944486
Energy: 1.021012312807541
Energy: 1.0419525918934316
Energy: 1.0210123128055066
Energy: 1.04195259189394
Energy: 1.021012312807541
Energy: 1.041952591892923
Energy: 1.0488096944416583
Energy: 1.0346833598312382
Energy: 1.0488096944416583
Energy: 1.0346833598327638
Energy: 1.0488096944416583
Energy: 1.0346833598312382
Energy: 1.0488096944421668
Energy: 1.0469558934565708
Energy: 1.042691965576376
Energy: 1.0469558934550451
Energy: 1.0426919655804447
Energy: 1.0469558934565708
Energy: 1.0426919655773932
Energy: 1.0469558934555536
Energy: 1.0612258941420287
Energy: 1.0367491770122512
Energy: 1.0612258941399946
Energy: 1.0367491770132686
Energy: 1.0612258941420287
Energy: 1.0367491770117425
Energy: 1.0612258941399946
Energy: 1.009861042968944
Energy: 1.003932480456516
Energy: 1.0098610429658927
Energy: 1.0039324804539733
Energy: 1.009861042968944
Energy: 1.003932480456516
Energy: 1.009861042966401
Energy: 1.048947864230603
Energy: 1.0450766342738869
Energy: 1.048947864230603
Energy: 1.0450766342728695
Energy: 1.048947864230603
Energy: 1.0450766342733784
Energy: 1.0489478642311114
Energy: 0.9877724693948017
Energy: 1.019557533256993
Energy: 0.9877724693948017
Energy: 1.0195575332564848
Energy: 0.9877724693948017
Energy: 1.019557533258519
Energy: 0.9877724693942932
Energy: 1.029059708736506
Energy: 1.0368321725380782
Energy: 1.0290597087370148
Energy: 1.0368321725380782
Energy: 1.0290597087354891
Energy: 1.0368321725380782
Energy: 1.0290597087370148
Energy: 1.0278300177964121
Energy: 0.9995630245388003
Energy: 1.0278300177953952
Energy: 0.9995630245382916
Energy: 1.0278300177959034
Energy: 0.9995630245388003
Energy: 1.0278300177953952
Energy: 1.040319385852858
Energy: 1.0255196198437464
Energy: 1.0403193858513324
Energy: 1.0255196198396777
Energy: 1.0403193858523494
Energy: 1.0255196198406948
Energy: 1.0403193858513324
Energy: 0.9876153222182373
Energy: 1.0303249875762606
Energy: 0.9876153222167116
Energy: 1.0303249875757523
Energy: 0.987615322218746
Energy: 1.0303249875762606
Energy: 0.9876153222167116
Energy: 1.0324780157869016
Energy: 1.041920171784466
Energy: 1.0324780157884272
Energy: 1.0419201717834488
Energy: 1.032478015786393
Energy: 1.0419201717849744
Energy: 1.0324780157884272
Energy: 1.0439684842973964
Energy: 0.9996713803179288
Energy: 1.0439684842958703
Energy: 0.9996713803204716
Energy: 1.0439684842973964
Energy: 0.9996713803179288
Energy: 1.0439684842958703
Energy: 1.0336512192327474
Energy: 1.0271664530742777
Energy: 1.0336512192317302
Energy: 1.027166453072752
Energy: 1.0336512192327474
Energy: 1.027166453071226
Energy: 1.0336512192317302
Energy: 1.0403181821334004
Energy: 1.01837772198116
Energy: 1.040318182127806
Energy: 1.0183777219831947
Energy: 1.0403181821334004
Energy: 1.0183777219816688
Energy: 1.040318182127297
Energy: 1.0449468519743783
Energy: 0.9953142027318236
Energy: 1.044946851971327
Energy: 0.9953142027318236
Energy: 1.0449468519743783
Energy: 0.9953142027318236
Energy: 1.044946851971327
Energy: 1.0452082893802814
Energy: 0.9817825310238808
Energy: 1.045208289379264
Energy: 0.981782531019812
Energy: 1.0452082893802814
Energy: 0.9817825310238808
Energy: 1.045208289379264
Energy: 1.0203803253792003
Energy: 1.078347555851973
Energy: 1.0203803253822517
Energy: 1.0783475558524818
Energy: 1.0203803253827604
Energy: 1.0783475558534987
Energy: 1.0203803253822517
Energy: 1.0343380620016276
Energy: 1.0549910288305222
Energy: 1.0343380619980673
Energy: 1.0549910288315394
Energy: 1.0343380620011189
Energy: 1.0549910288300135
Energy: 1.0343380619980673
Energy: 1.0366276290395517
Energy: 1.0540255896194697
Energy: 1.0366276290390433
Energy: 1.0540255896194697
Energy: 1.0366276290395517
Energy: 1.0540255896194697
Energy: 1.0366276290395517
Energy: 1.1155713860061984
Energy: 1.048900394906037
Energy: 1.115571386007724
Energy: 1.0489003949045113
Energy: 1.1155713860061984
Energy: 1.0489003949040026
Energy: 1.115571386007724
Energy: 1.0682996498775095
Energy: 1.0508237399760676
Energy: 1.0682996498790351
Energy: 1.0508237399674676
Energy: 1.068299649877001
Energy: 1.05082374000404
Energy: 1.0682996498785267
Energy: 1.2012093349091022
Energy: 1.0716548292444357
Energy: 1.2012093349106276
Energy: 1.071654829247487
Energy: 1.2012093349091022
Energy: 1.0716548292444357
Energy: 1.2012093349106276
Energy: 1.1009766340131057
Energy: 1.0540165703894184
Energy: 1.1009766340100544
Energy: 1.0540165703904356
Energy: 1.1009766340131057
Energy: 1.0540165703894184
Energy: 1.1009766340100544
Energy: 1.0522135305372433
Energy: 1.0490823514983645
Energy: 1.0522135305402949
Energy: 1.0490823514968388
Energy: 1.0522135305372433
Energy: 1.0490823515019247
Energy: 1.0522135305402949
Energy: 1.0066293550458385
Energy: 1.1513486341719783
Energy: 1.0066293550509244
Energy: 1.1513486341704524
Energy: 1.0066293550458385
Energy: 1.1513486341729955
Energy: 1.0066293550504157
Energy: 1.034160042349682
Energy: 1.0322267789051458
Energy: 1.0341600423486648
Energy: 1.0322267789066715
Energy: 1.0341600423491732
Energy: 1.0322267789051458
Energy: 1.0341600423491732
Energy: 1.0275443773280037
Energy: 0.9952115828064908
Energy: 1.0275443773254607
Energy: 0.9952115828100511
Energy: 1.0275443773285122
Energy: 0.9952115828064908
Energy: 1.0275443773259691
Energy: 1.0470593232342351
Energy: 1.0272861647165643
Energy: 1.0470593232342351
Energy: 1.0272861647165643
Energy: 1.0470593232347438
Energy: 1.0272861647165643
Energy: 1.0470593232347438
Energy: 1.0287074470437805
Energy: 1.1074273641621712
Energy: 1.0287074470412376
Energy: 1.1074273641596284
Energy: 1.0287074470442892
Energy: 1.1074273641616628
Energy: 1.0287074470412376
Energy: 1.0491149219683533
Energy: 1.0326392309969434
Energy: 1.049114921968862
Energy: 1.0326392309969434
Energy: 1.0491149219683533
Energy: 1.032639230996435
Energy: 1.049114921967845
Energy: 1.0187523119314772
Energy: 1.0046503938463305
Energy: 1.0187523119324946
Energy: 1.0046503938463305
Energy: 1.0187523119324946
Energy: 1.0046503938463305
Energy: 1.0187523119314772
Energy: 1.0500880253165075
Energy: 0.9821889111008908
Energy: 1.0500880253215934
Energy: 0.9821889111003823
Energy: 1.050088025317016
Energy: 0.9821889111013995
Energy: 1.0500880253210847
Energy: 0.9882527271993884
Energy: 1.1047880216307215
Energy: 0.9882527272039656
Energy: 1.1047880216322474
Energy: 0.9882527271993884
Energy: 1.1047880216312302
Energy: 0.9882527272039656
Energy: 1.0230397350969287
Energy: 1.03258520865075
Energy: 1.023039735094894
Energy: 1.0325852086527847
Energy: 1.0230397350974372
Energy: 1.0325852086502416
Energy: 1.023039735094894
Energy: 1.0314929267915294
Energy: 1.00433158196374
Energy: 1.0314929267874606
Energy: 1.0043315819601797
Energy: 1.0314929267915294
Energy: 1.0043315819632315
Energy: 1.0314929267874606
Energy: 1.0424435153886653
Energy: 1.0223554012184195
Energy: 1.0424435153876483
Energy: 1.0223554012184195
Energy: 1.0424435153886653
Energy: 1.0223554012184195
Energy: 1.0424435153876483
Energy: 0.9879029049349723
Energy: 1.0166195962645865
Energy: 0.9879029049339552
Energy: 1.016619596265095
Energy: 0.9879029049349723
Energy: 1.0166195962645865
Energy: 0.9879029049344638
Energy: 1.0331372244631418
Energy: 1.045633173863196
Energy: 1.0331372244646677
Energy: 1.0456331738642133
Energy: 1.0331372244631418
Energy: 1.045633173863196
Energy: 1.033137224464159

minimum gb energy = 0.981782531019812 eV
minimum distance =  2.30180711735831 Angstroms
sigma value = 365


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

Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586098229
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586098229
Energy: 2.346615756451157
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725187667
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 2.8340368535340272
Energy: 1.2056987043402967
Energy: 2.8340368535340272
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 2.3466164807769463
Energy: 1.2056987043414436
Energy: 2.1704020725187667
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.17040207251762
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043425902
Energy: 2.1704020725187667
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 2.3466215143078113
Energy: 1.2056987043402967
Energy: 2.1704020725187667
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043425902
Energy: 2.17040207252106
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586098229
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.1704020725187667
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 2.1704020725199134
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 1.2056987043402967
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 0.3750366656522394
Energy: 0.3871242586086762
Energy: 2.17040207252106
Energy: 1.2056987043414436
Energy: 2.1704020725187667
Energy: 1.2056987043414436
Energy: 2.17040207252106
Energy: 1.2056987043414436
Energy: 2.1704020725199134
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 0.3750366656510927
Energy: 0.3871242586086762
Energy: 0.3750366656510927
Energy: 0.3871242586098229
Energy: 2.17040207252106
Energy: 1.2056987043425902
Energy: 2.1704020725199134
Energy: 1.2056987043414436
Energy: 2.17040207252106
Energy: 1.2056987043425902
Energy: 2.1704020725187667

minimum gb energy = 0.3750366656510927 eV
minimum distance =  2.31095588095514 Angstroms
sigma value = 23