Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=2.865948021411896
cohesive_energy=4.290335425356015
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: -2.38418579101562e-07 eV

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

Energy: 0.016156497251467963
Energy: 0.5128995082384392
Energy: 0.016156497251467963
Energy: 0.5128995082376696
Energy: 0.016156497251467963
Energy: 0.5128995082376696
Energy: 0.016156497251467963
Energy: 0.017119318120656847
Energy: 0.6334184017975516
Energy: 0.017119318121064247
Energy: 0.6334184017971443
Energy: 0.017119318120656847
Energy: 0.6334184017975516
Energy: 0.017119318121064247
Energy: 1.0854627573651014
Energy: 0.5196186379664688
Energy: 1.472984915134034
Energy: 0.519618637964477
Energy: 0.016461881372237936
Energy: 0.5196186379648844
Energy: 0.016461881372237936
Energy: 0.017119318120656847
Energy: 0.6334184017975516
Energy: 0.017119318120656847
Energy: 0.633418401797959
Energy: 0.017119318120249444
Energy: 0.6334184017975516
Energy: 0.017119318120656847
Energy: 0.016156497251467963
Energy: 0.5128995082376696
Energy: 0.0161564972522375
Energy: 0.5128995082372623
Energy: 0.016156497251467963
Energy: 0.5128995082372623
Energy: 0.016156497251467963
Energy: 0.017119318120656847
Energy: 0.633418401797959
Energy: 0.017119318120656847
Energy: 0.6334184017975516
Energy: 0.017119318120249444
Energy: 0.6334184017975516
Energy: 0.017119318120656847

minimum gb energy = 0.016156497251467963 eV
minimum distance =  2.47757443539967 Angstroms
sigma value = 5


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

Energy: 1.3498118933394732
Energy: 1.667249820724263
Energy: 1.349811893342393
Energy: 1.6672498207232898
Energy: 1.3498118933399599
Energy: 1.6672498207247497
Energy: 1.3498118933428798
Energy: 1.3035708342001842
Energy: 1.300980063607079
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Energy: 1.3009800636056188
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Energy: 1.2417907685253546
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Energy: 1.375513889892238
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Energy: 1.3755138898902914
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Energy: 1.3235529538228987
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Energy: 1.2285921368772672
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Energy: 1.2571760618094217
Energy: 1.267167999749527
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Energy: 1.3699412284482877
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Energy: 1.3699412284502341
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Energy: 1.2896654220697306
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Energy: 1.2896654220629171
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Energy: 1.3591228445771208
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Energy: 1.2926516236330081
Energy: 1.3418899194942415
Energy: 1.2926516236320347
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Energy: 1.2926516236334948
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Energy: 1.249662121670014
Energy: 1.217169500830286
Energy: 1.2496621216709871
Energy: 1.2171695008346661
Energy: 1.2496621216695272
Energy: 1.2171695008293573
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Energy: 1.2587981097481067
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Energy: 1.346895127666898
Energy: 1.25879810974762
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Energy: 1.281736474441758
Energy: 1.2930537424916548
Energy: 1.2817364744393247
Energy: 1.2930537424960347
Energy: 1.2817364744412714
Energy: 1.2930537424916548
Energy: 1.2817364744398114
Energy: 1.2765332257378326
Energy: 1.349330289975163
Energy: 1.2765332257388058
Energy: 1.3493302899780826
Energy: 1.2765332257378326
Energy: 1.3493302899761361
Energy: 1.2765332257388058
Energy: 1.2572661404794445
Energy: 1.3142272043042866
Energy: 1.2572661404774979
Energy: 1.3142272043052599
Energy: 1.2572661404794445
Energy: 1.3142272043042866
Energy: 1.2572661404774979
Energy: 1.2398915031654854
Energy: 1.31644620808036
Energy: 1.2398915031606188
Energy: 1.316446208076467
Energy: 1.2398915031654854
Energy: 1.31644620808036
Energy: 1.2398915031606188
Energy: 1.2460249650020867
Energy: 1.319672203357202
Energy: 1.2460249650054933
Energy: 1.3196722033552553
Energy: 1.2460249650020867
Energy: 1.3196722033567154
Energy: 1.2460249650054933
Energy: 1.257925727816676
Energy: 1.299192277408233
Energy: 1.257925727824949
Energy: 1.2991922774077465
Energy: 1.2579257278161893
Energy: 1.299192277408233
Energy: 1.2579257278244622

minimum gb energy = 1.2171695008293573 eV
minimum distance =  2.31532013699619 Angstroms
sigma value = 401


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

Energy: 1.4458745336850716
Energy: 1.393041013334121
Energy: 1.362270294384314
Energy: 1.393041013335226
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Energy: 1.304974996833813
Energy: 1.3998883449665922
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Energy: 1.4321861203804191
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Energy: 1.4262812836933032
Energy: 1.3654224341214007
Energy: 1.426281283692751
Energy: 1.3654224341202963
Energy: 1.372720989527275
Energy: 1.4265339638610361
Energy: 1.3727164959012488
Energy: 1.4265646172407236
Energy: 1.3727209895383232
Energy: 1.4265339638615888
Energy: 1.3727164959006963
Energy: 1.3660967796745613
Energy: 1.43222752538758
Energy: 1.3660956167605236
Energy: 1.4322373413117024
Energy: 1.3660967796751138
Energy: 1.4322275253853705
Energy: 1.366095616755552
Energy: 1.3047083379450202
Energy: 1.405920616885518
Energy: 1.3049674288977517
Energy: 1.4059206168899372
Energy: 1.3047083379417057
Energy: 1.4059206168833085
Energy: 1.3049674288966469
Energy: 1.3333116112770917
Energy: 1.4257054309674233
Energy: 1.3338649453095959
Energy: 1.4257054309734496
Energy: 1.3333116112754342
Energy: 1.4257054309745545
Energy: 1.3338649453151201
Energy: 1.2925269389955005
Energy: 1.3229541670050364
Energy: 1.2925269389982625
Energy: 1.322954167005589
Energy: 1.2925269390004719
Energy: 1.3229541670094056
Energy: 1.2925269389955005
Energy: 1.3015912601484319
Energy: 1.3160102787850951
Energy: 1.3015912601534034
Energy: 1.3160102787856476
Energy: 1.301591260151194
Energy: 1.3160102787906192
Energy: 1.3015912601495367
Energy: 1.3622702943865235
Energy: 1.393041013334121
Energy: 1.362270294385971
Energy: 1.3930410133335687
Energy: 1.3622702943865235
Energy: 1.393041013339093
Energy: 1.362270294385971
Energy: 1.2992637553847217
Energy: 1.3073537309758836
Energy: 1.2992637553847217
Energy: 1.3074314873890667
Energy: 1.2992637553825122
Energy: 1.307353730979198
Energy: 1.2992637553819595

minimum gb energy = 1.2925269389955005 eV
minimum distance =  2.32204769750577 Angstroms
sigma value = 311


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

Energy: 1.3406023236944675
Energy: 1.358478715379513
Energy: 1.3508670779117906
Energy: 1.5210856936815527
Energy: 1.3406023236944675
Energy: 1.3584787153782374
Energy: 1.3508670779111527
Energy: 1.3039920706664465
Energy: 1.2871594005801985
Energy: 1.3441089978887502
Energy: 1.3201368381860594
Energy: 1.3039920706664465
Energy: 1.2871594005795606
Energy: 1.3441089978900258
Energy: 1.3302769834408985
Energy: 1.4204533124524974
Energy: 1.3302181114761331
Energy: 1.4285653148893402
Energy: 1.3302769834415362
Energy: 1.4204533124493084
Energy: 1.3302181114780467
Energy: 1.418268303064519
Energy: 1.398986267975583
Energy: 1.3760061415631422
Energy: 1.3989862679781344
Energy: 1.418268303064519
Energy: 1.3989862679774967
Energy: 1.3760061415631422
Energy: 1.4374082160519268
Energy: 1.41901289672873
Energy: 1.4373482739601255
Energy: 1.419012896729368
Energy: 1.4374082160544783
Energy: 1.419012896729368
Energy: 1.4373482739620391
Energy: 1.328733749724884
Energy: 1.4922867383760576
Energy: 1.3287337497229703
Energy: 1.5026381802255286
Energy: 1.328733749724884
Energy: 1.4922867383779712
Energy: 1.3287337497255218
Energy: 1.3267400935423324
Energy: 1.4661674623973915
Energy: 1.3267400935423324
Energy: 1.466965845029138
Energy: 1.3267400935429703
Energy: 1.4661674623961156
Energy: 1.3267400935436082
Energy: 1.4644194135340471
Energy: 1.4009038120258797
Energy: 1.3833949755831076
Energy: 1.4009038120265176
Energy: 1.4644194135353228
Energy: 1.4009038120271555
Energy: 1.3833949755850214
Energy: 1.4487221297947004
Energy: 1.4048354217871903
Energy: 1.3691258082849604
Energy: 1.4048354217865526
Energy: 1.4487221297959763
Energy: 1.404835421784639
Energy: 1.3691258082843225
Energy: 1.307162582406955
Energy: 1.4257518462246042
Energy: 1.3071492401170755
Energy: 1.4254804132292966
Energy: 1.307162582406955
Energy: 1.4257518462252419
Energy: 1.3071492401170755
Energy: 1.3234992721601506
Energy: 1.4625851350188073
Energy: 1.3230025224176103
Energy: 1.4621646776721613
Energy: 1.323499272159513
Energy: 1.46258513501498
Energy: 1.3230025224163346
Energy: 1.4265736420834265
Energy: 1.4532366488808397
Energy: 1.4265736420821509
Energy: 1.443754898614203
Energy: 1.4265736420821509
Energy: 1.4532366488827533
Energy: 1.4265736420834265
Energy: 1.3866925370342635
Energy: 1.3881966709187639
Energy: 1.3866925370349013
Energy: 1.3881966709181262
Energy: 1.3866925370329877
Energy: 1.3881966709174882
Energy: 1.3866925370310743
Energy: 1.3137008174323601
Energy: 1.3627433044899269
Energy: 1.3137008174342737
Energy: 1.3627433044937542
Energy: 1.313700817432998
Energy: 1.3627433044918407
Energy: 1.3137008174304465
Energy: 1.3519208877680853
Energy: 1.3729751249263322
Energy: 1.4110931047309236
Energy: 1.3419629033159337
Energy: 1.3519208877687232
Energy: 1.3729751249218671
Energy: 1.411093104729648
Energy: 1.2987411434041998
Energy: 1.399884511059487
Energy: 1.3673836395874903
Energy: 1.399884511059487
Energy: 1.2987411434054754
Energy: 1.3998845110588491
Energy: 1.3673836395868524
Energy: 1.3275995833793766
Energy: 1.3375665683226685
Energy: 1.3268154122840827
Energy: 1.3384018681459644
Energy: 1.3275995833793766
Energy: 1.3375665683213929
Energy: 1.3268154122840827
Energy: 1.3359657299374115
Energy: 1.3566003605929993
Energy: 1.3351196314694445
Energy: 1.423485439296466
Energy: 1.3359657299380492
Energy: 1.3566003605929993
Energy: 1.3351196314694445
Energy: 1.4320030430485782
Energy: 1.4285714379094794
Energy: 1.398039593099539
Energy: 1.5279843167006437
Energy: 1.3980395931001768
Energy: 1.4285714379133068
Energy: 1.3980395930989011
Energy: 1.4037455129582144
Energy: 1.496322553447733
Energy: 1.3909120629015979
Energy: 1.503467802154715
Energy: 1.4037455129575767
Energy: 1.4963225534490086
Energy: 1.3909120629009601
Energy: 1.3303740755179427
Energy: 1.3424692761552588
Energy: 1.3303740755192184
Energy: 1.3424692761558967
Energy: 1.3303740755185807
Energy: 1.3424692761558967
Energy: 1.3303740755179427
Energy: 1.3426835479531054
Energy: 1.3252981193430735
Energy: 1.3426835479518295
Energy: 1.3264648624347113
Energy: 1.3426835479524675
Energy: 1.3252981193437114
Energy: 1.3426835479531054
Energy: 1.3770270695107303
Energy: 1.3553045804490125
Energy: 1.3927586202537343
Energy: 1.4581248674205558
Energy: 1.3770270695120062
Energy: 1.355304580450926
Energy: 1.477608419995693
Energy: 1.3891911975513662
Energy: 1.4405595056236633
Energy: 1.4310739177749994
Energy: 1.5831963900804629
Energy: 1.3891911975520037
Energy: 1.4405595056211118
Energy: 1.4310739177756373
Energy: 1.3287147605423832
Energy: 1.352109463809269
Energy: 1.3290193546637359
Energy: 1.4298703750826578
Energy: 1.3287147605417453
Energy: 1.3521094638073554
Energy: 1.3290193546605464
Energy: 1.4558613206513518
Energy: 1.3331664325205101
Energy: 1.456223717396575
Energy: 1.3286707392141823
Energy: 1.4558613206539033
Energy: 1.333166432521786
Energy: 1.456223717397851
Energy: 1.4322589864933797
Energy: 1.4097919116282245
Energy: 1.4321758937738012
Energy: 1.4097919116282245
Energy: 1.4322589864927417
Energy: 1.4097919116288624
Energy: 1.4321758937744389
Energy: 1.4049795484521421
Energy: 1.4988549576909453
Energy: 1.4049795484508956
Energy: 1.4992213211597551
Energy: 1.4049795484540557
Energy: 1.4988549576903074
Energy: 1.4049795484559693
Energy: 1.3367079381149725
Energy: 1.3371971860712741
Energy: 1.3367079381156102
Energy: 1.337197186070636
Energy: 1.336707938116886
Energy: 1.3371971860725498
Energy: 1.3367079381149725
Energy: 1.451664022853752
Energy: 1.3452614820057354
Energy: 1.3686402639472057
Energy: 1.3403620077926477
Energy: 1.451664022855028
Energy: 1.3452614820095625
Energy: 1.3686402639472057
Energy: 1.4465942059974035
Energy: 1.3984772855491032
Energy: 1.380467450525011
Energy: 1.3984772855478276
Energy: 1.4465942059967658
Energy: 1.398477285545276
Energy: 1.402467733760875
Energy: 1.3071506551421015
Energy: 1.423507780690446
Energy: 1.3374950038866655
Energy: 1.4234226293644001
Energy: 1.3071506551433776
Energy: 1.4235077806910839
Energy: 1.3374950038866655
Energy: 1.3119846874286556
Energy: 1.3631660903651013
Energy: 1.3133948900661747
Energy: 1.3631818666442266
Energy: 1.3119846874292935
Energy: 1.3631660903599985
Energy: 1.3133948900668129
Energy: 1.4232564291739773
Energy: 1.5162745930586603
Energy: 1.4232564291739773
Energy: 1.3992284543277953
Energy: 1.4232564291765286
Energy: 1.5162745930586603
Energy: 1.4232564291752532
Energy: 1.5019480282505402
Energy: 1.396561446600931
Energy: 1.4978680946159573
Energy: 1.5225370409958714
Energy: 1.5019480282479887
Energy: 1.396561446600931
Energy: 1.4978680946146816
Energy: 1.3085081208461902
Energy: 1.3583658262812381
Energy: 1.3085081208461902
Energy: 1.3583658262825138
Energy: 1.3085081208461902
Energy: 1.3583658262818759
Energy: 1.3085081208474658

minimum gb energy = 1.2871594005795606 eV
minimum distance =  2.25034088357813 Angstroms
sigma value = 39


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

Energy: 1.2933211086037217
Energy: 1.334127146039765
Energy: 1.293321108601463
Energy: 1.3341271460390123
Energy: 1.2933211086037217
Energy: 1.334127146039765
Energy: 1.293321108601463
Energy: 1.3711846031495358
Energy: 1.2680021803279367
Energy: 1.3711846031465245
Energy: 1.2680021803279367
Energy: 1.3711846031495358
Energy: 1.2680021803294423
Energy: 1.3711846031465245
Energy: 1.3153218393647075
Energy: 1.3214894891909685
Energy: 1.3153218393639545
Energy: 1.3214894891887101
Energy: 1.3153218393647075
Energy: 1.3214894891902158
Energy: 1.3153218393639545
Energy: 1.3714756545383404
Energy: 1.2673624726701855
Energy: 1.3714756545360822
Energy: 1.2673624726709383
Energy: 1.3714756545375877
Energy: 1.2673624726709383
Energy: 1.3714756545360822
Energy: 1.3941314391398698
Energy: 1.2487124663277749
Energy: 1.3941314391391169
Energy: 1.2487124663277749
Energy: 1.3941314391391169
Energy: 1.2487124663255165
Energy: 1.3941314391406228
Energy: 1.3687929568369466
Energy: 1.1994048207520818
Energy: 1.368792956839205
Energy: 1.1994048207543404
Energy: 1.3687929568361938
Energy: 1.1994048207520818
Energy: 1.368792956839958
Energy: 1.2875181471846062
Energy: 1.2528570438725184
Energy: 1.4993974089422255
Energy: 1.2528570438725184
Energy: 1.355498060727833
Energy: 1.2528570438725184
Energy: 1.4412309729889548
Energy: 1.2590586786390663
Energy: 1.199939513707443
Energy: 1.2590586786390663
Energy: 1.1999395137089488
Energy: 1.2590586786390663
Energy: 1.199939513707443
Energy: 1.2590586786390663
Energy: 1.3520435760788603
Energy: 1.199081929899338
Energy: 1.3520435760781075
Energy: 1.1990819299000908
Energy: 1.3520435760781075
Energy: 1.199081929899338
Energy: 1.3520435760773546
Energy: 1.2589701927104227
Energy: 1.3465878483781766
Energy: 1.2589701927119281
Energy: 1.3465878483766711
Energy: 1.2589701927111756
Energy: 1.3465878483781766
Energy: 1.2589701927111756
Energy: 1.418494473202117
Energy: 1.3200990303685183
Energy: 1.371105990753753
Energy: 1.3200990303677653
Energy: 1.3711059907560115
Energy: 1.3200990303677653
Energy: 1.371105990753753
Energy: 1.314631532872941
Energy: 1.2675818818668165
Energy: 1.314631532872941
Energy: 1.2675818818668165
Energy: 1.3146315328721883
Energy: 1.2675818818653108
Energy: 1.3146315328721883
Energy: 1.357650226522029
Energy: 1.2704185073457446
Energy: 1.357650226522029
Energy: 1.2704185073472503
Energy: 1.3576502265212764
Energy: 1.2704185073495087
Energy: 1.357650226522029
Energy: 1.2595052566169265
Energy: 1.2486954384246407
Energy: 1.2595052566161735
Energy: 1.2486954384253934
Energy: 1.2595052566169265
Energy: 1.2486954384246407
Energy: 1.2595052566161735
Energy: 1.3541097933371655
Energy: 1.279959754039561
Energy: 1.4381042447266772
Energy: 1.2799597540365497
Energy: 1.4143948447275896
Energy: 1.279959754039561
Energy: 1.3613053828921586
Energy: 1.2592588966500335
Energy: 1.1994237776278898
Energy: 1.259258896651539
Energy: 1.1994237776256311
Energy: 1.2592588966500335
Energy: 1.1994237776286425
Energy: 1.259258896651539
Energy: 1.308737497151947
Energy: 1.201955998813414
Energy: 1.3087374971496886
Energy: 1.201955998814167
Energy: 1.308737497151194
Energy: 1.201955998813414
Energy: 1.3087374971504413
Energy: 1.2592150331175873
Energy: 1.199565684733542
Energy: 1.2592150331183403
Energy: 1.199565684733542
Energy: 1.2592150331183403
Energy: 1.199565684734295
Energy: 1.2592150331175873
Energy: 1.3931064492964953
Energy: 1.249504122729149
Energy: 1.3925090663358373
Energy: 1.249504122729149
Energy: 1.3711317178135118
Energy: 1.2495041227268906
Energy: 1.3711317178120062
Energy: 1.2591946838662504
Energy: 1.346604363659352
Energy: 1.2591946838692614
Energy: 1.3466043636578466
Energy: 1.2591946838662504
Energy: 1.346604363659352
Energy: 1.2591946838685086
Energy: 1.4041957489209245
Energy: 1.267243994691476
Energy: 1.4041957489209245
Energy: 1.267243994691476
Energy: 1.4041957489216772
Energy: 1.2672439946937
Energy: 1.4041957489216772
Energy: 1.3148526216784993
Energy: 1.267476900006842
Energy: 1.3148526216777467
Energy: 1.2674769000030779
Energy: 1.3148526216769938
Energy: 1.2674769000038306
Energy: 1.3148526216784993
Energy: 1.3455163169323883
Energy: 1.2505814837820035
Energy: 1.3924148190580488
Energy: 1.2505814837812508
Energy: 1.3711840756294151
Energy: 1.2505814837820035
Energy: 1.3711840756271567
Energy: 1.388839442096095
Energy: 1.2488096847445085
Energy: 1.3888394420983536
Energy: 1.2488096847414973
Energy: 1.3888394420945895
Energy: 1.24880968474225
Energy: 1.3888394420945895
Energy: 1.3686881362037646
Energy: 1.1990263636864757
Energy: 1.36868813620527
Energy: 1.1990263636842171
Energy: 1.3686881362037646
Energy: 1.1990263636864757
Energy: 1.3686881362045173
Energy: 1.4168158998998677
Energy: 1.1995496126016494
Energy: 1.416815899902126
Energy: 1.199549612603155
Energy: 1.4168158999028788
Energy: 1.1995496126016494
Energy: 1.416815899899115
Energy: 1.2589881225845458
Energy: 1.2507126951213647
Energy: 1.2589881225830404
Energy: 1.2507126951228704
Energy: 1.2589881225845458
Energy: 1.2507126951213647
Energy: 1.2589881225830404
Energy: 1.3711855676253675
Energy: 1.199476309437041
Energy: 1.3711855676253675
Energy: 1.1994763094377938
Energy: 1.3711855676253675
Energy: 1.1994763094377938
Energy: 1.3711855676253675
Energy: 1.293321108602216
Energy: 1.3341271460412707
Energy: 1.2933211085999576
Energy: 1.3341271460405177
Energy: 1.293321108602216
Energy: 1.3341271460412707
Energy: 1.2933211085999576
Energy: 1.3711846031480304
Energy: 1.2680021803279367
Energy: 1.3711846031442663
Energy: 1.2680021803286894
Energy: 1.3711846031480304
Energy: 1.2680021803294423
Energy: 1.371184603145019

minimum gb energy = 1.1990263636842171 eV
minimum distance =  2.27132659396407 Angstroms
sigma value = 21


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

Energy: 1.2568204830015683
Energy: 1.340976707444147
Energy: 1.2568204830024825
Energy: 1.340976707443233
Energy: 1.2568204830015683
Energy: 1.340976707444147
Energy: 1.2568204830024825
Energy: 1.1893746368373896
Energy: 1.1728957081216662
Energy: 1.1893746368383034
Energy: 1.1728957081216662
Energy: 1.1893746368373896
Energy: 1.1728957081216662
Energy: 1.1893746368383034
Energy: 1.2199729593006408
Energy: 1.2181455789733933
Energy: 1.219972959299727
Energy: 1.218145578974307
Energy: 1.219972959299727
Energy: 1.2181455789733933
Energy: 1.219972959298813
Energy: 1.1558673715232195
Energy: 1.1755431421552625
Energy: 1.1558673715223056
Energy: 1.1755431421570903
Energy: 1.1558673715232195
Energy: 1.1755431421561764
Energy: 1.1558673715223056
Energy: 1.1535177466993618
Energy: 1.134406208045551
Energy: 1.1535177466993618
Energy: 1.1344062080446373
Energy: 1.1535177466993618
Energy: 1.134406208045551
Energy: 1.1535177466993618
Energy: 1.1444961386394483
Energy: 1.194143183272756
Energy: 1.1444961386403623
Energy: 1.1941431832745837
Energy: 1.1444961386394483
Energy: 1.194143183272756
Energy: 1.1444961386403623
Energy: 1.086687431817186
Energy: 1.2479470940408408
Energy: 1.0866874318181
Energy: 1.2479470940426685
Energy: 1.086687431817186
Energy: 1.2479470940408408
Energy: 1.0866874318181
Energy: 1.1392722110816154
Energy: 1.175696085053265
Energy: 1.1392722110816154
Energy: 1.1756960850541789
Energy: 1.1392722110816154
Energy: 1.1756960850541789
Energy: 1.1392722110816154
Energy: 1.178418097958995
Energy: 1.1704279067917098
Energy: 1.178418097959909
Energy: 1.1704279067917098
Energy: 1.178418097958995
Energy: 1.1704279067917098
Energy: 1.178418097959909
Energy: 1.1546189460754777
Energy: 1.1999047788113637
Energy: 1.154618946074564
Energy: 1.199904778809536
Energy: 1.1546189460754777
Energy: 1.199904778809536
Energy: 1.154618946074564
Energy: 1.0873079375130115
Energy: 1.1674383534046453
Energy: 1.0873079375130115
Energy: 1.1674383534037314
Energy: 1.0873079375130115
Energy: 1.1674383534046453
Energy: 1.0873079375130115
Energy: 1.1392453754557783
Energy: 1.1845111061658005
Energy: 1.1392453754557783
Energy: 1.1845111061648865
Energy: 1.1392453754557783
Energy: 1.1845111061658005
Energy: 1.1392453754557783
Energy: 1.1559320634522607
Energy: 1.1578559873428615
Energy: 1.1559320634522607
Energy: 1.1578559873419478
Energy: 1.1559320634522607
Energy: 1.1578559873428615
Energy: 1.1559320634522607
Energy: 1.2133785893942362
Energy: 1.246596124307532
Energy: 1.2133785893942362
Energy: 1.246596124307532
Energy: 1.2133785893942362
Energy: 1.2465961243157566
Energy: 1.2133785893942362
Energy: 1.1958190663464692
Energy: 1.1672119924898305
Energy: 1.1958190663455552
Energy: 1.1672119924907443
Energy: 1.1958190663464692
Energy: 1.1672119924898305
Energy: 1.1958190663455552
Energy: 1.277662067191651
Energy: 1.230577853973932
Energy: 1.277662067190737
Energy: 1.230577853973932
Energy: 1.277662067191651
Energy: 1.230577853973039
Energy: 1.2776620671898233
Energy: 1.2039640519967734
Energy: 1.1734481011868703
Energy: 1.2039640519949457
Energy: 1.1734481011868703
Energy: 1.2039640519967734
Energy: 1.1734481011868703
Energy: 1.2039640519949457
Energy: 1.2135039054112382
Energy: 1.246669639679904
Energy: 1.2135039054103245
Energy: 1.246669639680818
Energy: 1.2135039054103245
Energy: 1.246669639680818
Energy: 1.2135039054103245
Energy: 1.1541767952921327
Energy: 1.1666485097634003
Energy: 1.1541767952921327
Energy: 1.1666485097634003
Energy: 1.1541767952921327
Energy: 1.1666485097634003
Energy: 1.1541767952921327
Energy: 1.1394060995398148
Energy: 1.1327379594863176
Energy: 1.1394060995389008
Energy: 1.1327379594872318
Energy: 1.1394060995398148
Energy: 1.1327379594863176
Energy: 1.1394060995389008
Energy: 1.1548228055602954
Energy: 1.2557841258947435
Energy: 1.1548228055593812
Energy: 1.2557841258947435
Energy: 1.1548228055602954
Energy: 1.2557841258947435
Energy: 1.1548228055593812
Energy: 1.0869156466883891
Energy: 1.1874624711969923
Energy: 1.0869156466883891
Energy: 1.1874624711960784
Energy: 1.0869156466883891
Energy: 1.1874624711969923
Energy: 1.0869156466883891
Energy: 1.154270239927701
Energy: 1.1669581629959547
Energy: 1.154270239927701
Energy: 1.1669581629968686
Energy: 1.154270239927701
Energy: 1.1669581629959547
Energy: 1.154270239927701
Energy: 1.1545206384152022
Energy: 1.132082408151055
Energy: 1.1545206384161164
Energy: 1.132082408151055
Energy: 1.1545206384152022
Energy: 1.1320824081501408
Energy: 1.1545206384161164
Energy: 1.1548761912552536
Energy: 1.1982215271987775
Energy: 1.15487619125434
Energy: 1.1982215271996914
Energy: 1.1548761912552536
Energy: 1.1982215271987775
Energy: 1.15487619125434

minimum gb energy = 1.086687431817186 eV
minimum distance =  2.32148508878772 Angstroms
sigma value = 113


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

Energy: 1.066583275982633
Energy: 1.097662784447969
Energy: 1.0665832759760492
Energy: 1.0976627844530693
Energy: 1.066583275982633
Energy: 1.0976627844484788
Energy: 1.0665832759760492
Energy: 1.0606481837223112
Energy: 1.0171543277302244
Energy: 1.0606481837284318
Energy: 1.017154327727164
Energy: 1.0606481837228212
Energy: 1.0171543277302244
Energy: 1.0606481837289417
Energy: 1.0611533306863155
Energy: 1.0344984850672345
Energy: 1.0611533306888654
Energy: 1.0344984850657042
Energy: 1.0611533306863155
Energy: 1.0344984850672345
Energy: 1.0611533306893755
Energy: 1.0044096927330204
Energy: 1.0054736354202005
Energy: 1.00440969272894
Energy: 1.0054736354186704
Energy: 1.0044096927330204
Energy: 1.0054736354202005
Energy: 1.00440969272894
Energy: 1.0329209728498274
Energy: 1.0489041941642143
Energy: 1.0329209728488074
Energy: 1.0489041941642143
Energy: 1.0329209728493174
Energy: 1.0489041941637043
Energy: 1.0329209728488074
Energy: 0.9945732494312787
Energy: 1.0174328749582702
Energy: 0.9945732494342925
Energy: 1.0174328749577601
Energy: 0.9945732494317888
Energy: 1.0174328749577601
Energy: 0.9945732494333188
Energy: 0.9964618108340925
Energy: 1.0294485304165364
Energy: 0.9964618108356227
Energy: 1.0294485304185765
Energy: 0.9964618108346025
Energy: 1.0294485304170462
Energy: 0.9964618108366428
Energy: 1.036801348386857
Energy: 0.9713140518663836
Energy: 1.0368013483863472
Energy: 0.971314051869954
Energy: 1.0368013483863472
Energy: 0.9713140518663836
Energy: 1.0368013483863472
Energy: 0.9944249737296315
Energy: 1.0009762422420556
Energy: 0.9944249737311616
Energy: 1.0009762422344053
Energy: 0.9944249737296315
Energy: 1.0009762422415458
Energy: 0.9944249737311616
Energy: 0.9908008663876017
Energy: 0.9740185438888325
Energy: 0.9908008663891319
Energy: 0.9740185438862822
Energy: 0.9908008663870916
Energy: 0.9740185438888325
Energy: 0.9908008663891319
Energy: 0.996454858299882
Energy: 0.9895191943205933
Energy: 0.9964548583039622
Energy: 0.9895191943221234
Energy: 0.996454858299882
Energy: 0.9895191943205933
Energy: 0.996454858303452
Energy: 0.9865244674350693
Energy: 0.9772368983876568
Energy: 0.9865244674345591
Energy: 0.9772368983871467
Energy: 0.9865244674350693
Energy: 0.9772368983881667
Energy: 0.9865244674350693
Energy: 0.9412385991969545
Energy: 1.0297352469591567
Energy: 0.9412385991928741
Energy: 1.0297352469606866
Energy: 0.9412385991969545
Energy: 1.0297352469596666
Energy: 0.9412385991928741
Energy: 0.9898195391798671
Energy: 0.9746701133670495
Energy: 0.9898195391798671
Energy: 0.9746701133670495
Energy: 0.9898195391798671
Energy: 0.9746701133670495
Energy: 0.9898195391803771
Energy: 0.9812022088458193
Energy: 0.9527730633142137
Energy: 0.9812022088453092
Energy: 0.9527730633142137
Energy: 0.9812022088463294
Energy: 0.9527730633137037
Energy: 0.9812022088447993
Energy: 0.9804237429271915
Energy: 1.0060255381429648
Energy: 0.9804237429287216
Energy: 1.0060255381490852
Energy: 0.9804237429271915
Energy: 1.0060255381434748
Energy: 0.9804237429287216
Energy: 0.9436435103789844
Energy: 0.9622437242609279
Energy: 0.9436435103800044
Energy: 0.9622437242604178
Energy: 0.9436435103789844
Energy: 0.9622437242609279
Energy: 0.9436435103800044
Energy: 0.9858803369991307
Energy: 0.986171767232838
Energy: 0.9858803370006608
Energy: 0.986171767226764
Energy: 0.9858803369991307
Energy: 0.986171767232838
Energy: 0.9858803370006608
Energy: 0.9964066615146941
Energy: 0.9533726509759644
Energy: 0.9964066615177543
Energy: 0.9533726509739243
Energy: 0.9964066615141842
Energy: 0.9533726509764745
Energy: 0.9964066615177543
Energy: 0.9929732815731425
Energy: 0.9831329613685172
Energy: 0.9929732815762027
Energy: 0.9831329613690273
Energy: 0.9929732815731425
Energy: 0.9831329613680072
Energy: 0.9929732815756929
Energy: 1.000571716726805
Energy: 0.9624780048451494
Energy: 1.0005717167303751
Energy: 0.9624780048466796
Energy: 1.000571716726295
Energy: 0.9624780048456596
Energy: 1.0005717167303751
Energy: 0.9969576216610231
Energy: 1.0096811654520759
Energy: 0.9969576216600029
Energy: 1.0096811654520759
Energy: 0.9969576216610231
Energy: 1.0096811654525861
Energy: 0.9969576216600029
Energy: 0.9978035036342869
Energy: 1.0088972242285366
Energy: 0.9978035036337769
Energy: 1.0088972242300664
Energy: 0.9978035036342869
Energy: 1.0088972242290464
Energy: 0.9978035036347969
Energy: 0.9935842495719042
Energy: 1.032005628198181
Energy: 0.9935842495729243
Energy: 1.0320056281900205
Energy: 0.9935842495729243
Energy: 1.0320056281951207
Energy: 0.9935842495734343
Energy: 0.9890630823960894
Energy: 0.9997803330662635
Energy: 0.9890630823945593
Energy: 0.9997803330642234
Energy: 0.9890630823965993
Energy: 0.9997803330662635
Energy: 0.9890630823950692
Energy: 1.0591715080447486
Energy: 0.9980350076496746
Energy: 1.0591715080427084
Energy: 0.9980350076481446
Energy: 1.0591715080447486
Energy: 0.9980350076496746
Energy: 1.0591715080432185
Energy: 1.0714243787767805
Energy: 0.9985570764845841
Energy: 1.0714243787783106
Energy: 0.9985570764820341
Energy: 1.0714243787762705
Energy: 0.9985570764850944
Energy: 1.0714243787778008
Energy: 1.0375186842721735
Energy: 1.0458824918752736
Energy: 1.0375186842731936
Energy: 1.0458824918803737
Energy: 1.0375186842711535
Energy: 1.0458824918737433
Energy: 1.0375186842731936
Energy: 1.0369124607853784
Energy: 1.0170367847163062
Energy: 1.0369124607889486
Energy: 1.017036784714266
Energy: 1.0369124607869087
Energy: 1.0170367847157962
Energy: 1.0369124607884386
Energy: 1.0402509181309656
Energy: 0.9980512989778983
Energy: 1.040250918132496
Energy: 0.9980512989773883
Energy: 1.0402509181309656
Energy: 0.9980512989773883
Energy: 1.040250918131986
Energy: 1.0329992267942172
Energy: 0.9971760988354651
Energy: 1.032999226790647
Energy: 0.9971760988375054
Energy: 1.0329992267937071
Energy: 0.997176098834445
Energy: 1.0329992267916672
Energy: 0.9934020459735714
Energy: 1.0174882966276788
Energy: 0.9934020459740814
Energy: 1.017488296630229
Energy: 0.9934020459735714
Energy: 1.0174882966276788
Energy: 0.9934020459740814
Energy: 0.9889335018593132
Energy: 1.015676418652921
Energy: 0.9889335018598234
Energy: 1.015676418650881
Energy: 0.9889335018593132
Energy: 1.015676418652411
Energy: 0.9889335018598234
Energy: 0.9874619794767387
Energy: 0.9942192430371001
Energy: 0.9874619794782689
Energy: 0.9942192430340397
Energy: 0.9874619794767387
Energy: 0.9942192430365898
Energy: 0.9874619794782689
Energy: 1.0330661568174329
Energy: 0.9664021897660634
Energy: 1.0330661568220232
Energy: 0.9664021897686135
Energy: 1.0330661568179431
Energy: 0.9664021897660634
Energy: 1.0330661568220232
Energy: 0.9771307269355186
Energy: 0.9788371834078206
Energy: 0.9771307269375589
Energy: 0.9788371834037404
Energy: 0.9771307269360288
Energy: 0.9788371834042505
Energy: 0.9771307269375589
Energy: 0.9954013027455562
Energy: 0.9713112300678166
Energy: 0.9954013027465763
Energy: 0.9713112300652665
Energy: 0.9954013027460663
Energy: 0.9713112300678166
Energy: 0.9954013027465763
Energy: 0.970674795338936
Energy: 0.9549227211660214
Energy: 0.9706747953363857
Energy: 0.9549227211665314
Energy: 0.970674795338936
Energy: 0.9549227211660214
Energy: 0.9706747953363857
Energy: 0.9858533885968285
Energy: 1.0043779579438665
Energy: 0.9858533885927483
Energy: 1.0043779579438665
Energy: 0.9858533885968285
Energy: 1.0043779579438665
Energy: 0.9858533885917283
Energy: 0.9423905826146486
Energy: 1.0296144024323621
Energy: 0.9423905826151585
Energy: 1.0296144024349123
Energy: 0.9423905826151585
Energy: 1.0296144024323621
Energy: 0.9423905826151585
Energy: 0.9784923852638847
Energy: 0.9713459773305394
Energy: 0.9784923852669449
Energy: 0.9713459773330895
Energy: 0.9784923852638847
Energy: 0.9713459773310494
Energy: 0.9784923852664348
Energy: 0.9802147175638102
Energy: 0.9581604553877959
Energy: 0.9802147175709505
Energy: 0.9581604553826957
Energy: 0.9802147175643202
Energy: 0.9581604553872859
Energy: 0.9802147175709505
Energy: 0.9999366250499417
Energy: 1.004755881133503
Energy: 0.999936625051982
Energy: 1.004755881134523
Energy: 0.9999366250494318
Energy: 1.0047558811329929
Energy: 0.999936625051982
Energy: 0.9448932127392002
Energy: 0.9595098721057719
Energy: 0.9448932127371601
Energy: 0.9595098721022015
Energy: 0.9448932127397102
Energy: 0.9595098721062819
Energy: 0.9448932127376701
Energy: 0.9811040299747799
Energy: 0.9840732555422125
Energy: 0.9811040299727396
Energy: 0.9840732555411925
Energy: 0.9811040299747799
Energy: 0.9840732555422125
Energy: 0.9811040299727396

minimum gb energy = 0.9412385991928741 eV
minimum distance =  2.30879377032993 Angstroms
sigma value = 365


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

Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.3965939604571145
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 2.2521827153945835
Energy: 1.1507870167904006
Energy: 2.2280832966606616
Energy: 1.1507870167904006
Energy: 2.2280832966583617
Energy: 1.1507870167904006
Energy: 2.2280832966606616
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 2.252177404307838
Energy: 1.1507870167892507
Energy: 2.252182937555493
Energy: 1.1507870167892507
Energy: 2.084237913197449
Energy: 1.1507870167904006
Energy: 2.084235930580396
Energy: 0.3965939604571145
Energy: 0.3334474450312273
Energy: 0.3965939604571145
Energy: 0.33344744503007734
Energy: 0.3965939604571145
Energy: 0.3334474450312273
Energy: 0.3965939604571145
Energy: 2.252181336144431
Energy: 1.1507870167904006
Energy: 2.0842342374663847
Energy: 1.1507870167904006
Energy: 2.0842346146414017
Energy: 1.1507870167904006
Energy: 2.252245369933455
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 2.252181127478888
Energy: 1.1507870167904006
Energy: 2.228083296659512
Energy: 1.1507870167904006
Energy: 2.2522340179534543
Energy: 1.1507870167904006
Energy: 2.084234162538061
Energy: 0.3965939604571145
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.3334474450312273
Energy: 0.3965939604571145
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 2.0842350625654533
Energy: 1.1507870167904006
Energy: 2.0842376676539476
Energy: 1.1507870167904006
Energy: 2.084236307527832
Energy: 1.1507870167892507
Energy: 2.0842344097160574
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 2.084234103514232
Energy: 1.1507870167904006
Energy: 2.0842356793955217
Energy: 1.1507870167904006
Energy: 2.084235072752759
Energy: 1.1507870167904006
Energy: 2.0842350670297938
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 2.0842415370678857
Energy: 1.1507870167904006
Energy: 2.084240095057156
Energy: 1.1507870167904006
Energy: 2.08424085311634
Energy: 1.1507870167904006
Energy: 2.0842352037129768
Energy: 0.39659396045826445
Energy: 0.3334474450312273
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.39659396045826445
Energy: 0.3334474450312273
Energy: 0.3965939604594143
Energy: 2.084234527268303
Energy: 1.1507870167904006
Energy: 2.08423626713148
Energy: 1.1507870167892507
Energy: 2.0842340882602843
Energy: 1.1507870167904006
Energy: 2.0842341107831475
Energy: 0.3965939604571145
Energy: 0.3334474450312273
Energy: 0.39659396045826445
Energy: 0.33344744503007734
Energy: 0.3965939604571145
Energy: 0.3334474450312273
Energy: 0.39659396045826445
Energy: 2.0842345905783115
Energy: 1.1507870167904006
Energy: 2.084234332778519
Energy: 1.1507870167904006
Energy: 2.084240937521653
Energy: 1.1507870167904006
Energy: 2.2522481948609934
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.39659396046056433
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 0.33344744503007734
Energy: 0.3965939604594143
Energy: 2.0842357197711747
Energy: 1.1507870167904006
Energy: 2.0842346891525096
Energy: 1.1507870167904006
Energy: 2.0842341560380833
Energy: 1.1507870167904006
Energy: 2.252176887047362

minimum gb energy = 0.33344744503007734 eV
minimum distance =  2.2440759287216 Angstroms
sigma value = 23