Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.814778730273247
cohesive_energy=4.122774919192733
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.013140075485300924
Energy: 0.013233997488858876
Energy: 2.5559621322666666
Energy: 0.013233997488858876
Energy: 0.013233997488858876
Energy: 0.013534970631397419
Energy: 0.411938735345108
Energy: 0.013534970631397419
Energy: 2.5559621322727297
Energy: 0.4119387353461138
Energy: 0.41064547699361154
Energy: 0.411938735345108
Energy: 0.013233997488858876
Energy: 0.013534970631397419
Energy: 0.411938735345108
Energy: 0.013534970631397419

minimum gb energy = 0.013140075485300924 eV
minimum distance =  2.43411554263005 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.672635503633518
Energy: 1.0457214876097665
Energy: 1.95412895307878
Energy: 1.0457214876323504
Energy: 1.4520617341893434
Energy: 0.9629810350095122
Energy: 0.9343976631339049
Energy: 0.9629810350019842
Energy: 1.4866540655432192
Energy: 0.9533216571188879
Energy: 0.9240133580552946
Energy: 0.9533216571176334
Energy: 1.2777900905990915
Energy: 1.0324396245811036
Energy: 0.9344245071636633
Energy: 1.032439624578594
Energy: 1.2766065523810282
Energy: 0.9640404502018566
Energy: 1.2777907968151077
Energy: 0.9640404502093846
Energy: 1.4464325906445035
Energy: 0.9515444950769069
Energy: 0.9518008566086565
Energy: 0.9515444950756523
Energy: 1.1029106675871994
Energy: 1.008506130171706
Energy: 0.9411649217888193
Energy: 1.0085061301729035
Energy: 0.9642123037977521
Energy: 0.9540556010212772
Energy: 1.2775534999435347
Energy: 0.9540556010614265
Energy: 1.1028852195602745
Energy: 0.952597761211889
Energy: 1.270272168649411
Energy: 0.9525977612131437
Energy: 1.4768398357950399
Energy: 0.9503030098772519
Energy: 1.2832925374058037
Energy: 0.9503030098835252
Energy: 0.9360240850423067
Energy: 1.0305451900404854
Energy: 1.2718823613939318
Energy: 1.0305451900417402
Energy: 0.9407684664871915
Energy: 0.9514489893123322
Energy: 1.4483871041843372
Energy: 0.9514489893123322
Energy: 1.1076260907124253
Energy: 0.9656217214484996
Energy: 1.2906906610249809
Energy: 0.9656217215062142
Energy: 0.9318894103869779
Energy: 0.9667520073732375
Energy: 1.3862825543191446
Energy: 0.966752007371983
Energy: 0.932127405206644
Energy: 0.9522884258960584
Energy: 1.4431653765176564
Energy: 0.9522884258960584
Energy: 0.938160727543982
Energy: 0.9513730720237329
Energy: 1.4417729741962169
Energy: 0.9513730720224784
Energy: 0.9297555633190658
Energy: 0.9638750298261608
Energy: 1.3875084941936955
Energy: 0.9638750298223968
Energy: 1.1093842520487855
Energy: 0.9631639940263375
Energy: 1.2893310697400417
Energy: 0.9631639940275921
Energy: 0.9380487179364426
Energy: 0.9490266139231435
Energy: 1.5089662068446654
Energy: 0.9490266139243981
Energy: 0.9334570210002541
Energy: 1.0309588123706435
Energy: 1.1197650716694547
Energy: 1.0309588123706435
Energy: 1.5134446695324102
Energy: 0.9497371888814286
Energy: 1.1325266946033161
Energy: 0.9497371888839379
Energy: 1.122191040027012
Energy: 0.9649083976542092
Energy: 1.26744558873476
Energy: 0.9649083976416624
Energy: 1.1231110043513899
Energy: 0.9575144388373564
Energy: 1.1021046497774065
Energy: 0.9575144388398658
Energy: 1.2732144983591704
Energy: 1.0067289764759504
Energy: 0.950659153904757
Energy: 1.006728976473441
Energy: 1.4414260798403107
Energy: 0.9510496812382517
Energy: 0.950064997532662
Energy: 0.9510496812332332
Energy: 1.27660386345333
Energy: 0.965467020388003
Energy: 1.2786417102456458
Energy: 0.9654670203905122
Energy: 1.277427791860631
Energy: 1.0361273197073613
Energy: 0.9340175354501036
Energy: 1.036127319708616
Energy: 1.563479319129822
Energy: 0.9539878677333408
Energy: 0.9254732171470408
Energy: 0.9539878677258128
Energy: 1.4536464401348335
Energy: 0.9544156760352046
Energy: 0.9376127562490802
Energy: 0.9544156760402233
Energy: 1.5055798467859254
Energy: 0.989403153935692
Energy: 0.954098121743175
Energy: 0.9894031539331827
Energy: 1.4518918160660648
Energy: 0.9651111843701907
Energy: 0.9295100082955265
Energy: 0.9651111843626627
Energy: 1.442255679069682
Energy: 0.9475627100174059
Energy: 0.9252572378640108
Energy: 0.9475627100174059
Energy: 1.2772404046241874
Energy: 1.0194947517480317
Energy: 0.9342425367978989
Energy: 1.019494751746777

minimum gb energy = 0.9240133580552946 eV
minimum distance =  2.26472575303323 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.840093267339868
Energy: 1.598952816754077
Energy: 1.9452117635441744
Energy: 1.5989528167555076
Energy: 1.3353749537270045
Energy: 1.0054771217722167
Energy: 0.9900785133884382
Energy: 1.0054771217736473
Energy: 1.332092049307182
Energy: 0.9687809225600934
Energy: 0.9667989409256109
Energy: 0.9687809225600934
Energy: 0.9948008024947186
Energy: 1.0622337396870611
Energy: 0.991731927621819
Energy: 1.0622337396856307
Energy: 0.9948130817308379
Energy: 0.9854748427717434
Energy: 1.3732295513779362
Energy: 0.9854748427331187
Energy: 1.3347367093817157
Energy: 0.9833659745304192
Energy: 0.9832754679745298
Energy: 0.9833659745289887
Energy: 0.9681404272980569
Energy: 1.0066309549566559
Energy: 0.968211873319685
Energy: 1.0066309549852341
Energy: 0.9837954999177656
Energy: 0.9836926489763335
Energy: 1.3728505987105062
Energy: 0.9836926489791945
Energy: 0.9674326018457192
Energy: 1.0054116468562664
Energy: 1.3313355790198567
Energy: 1.0054116468591274
Energy: 0.9920902043718842
Energy: 1.0056272783020677
Energy: 1.0056181120907044
Energy: 1.0056272783049287
Energy: 0.9825293110014182
Energy: 0.9848713835618824
Energy: 1.3317514875774747
Energy: 0.9848713835604518
Energy: 0.9846979940892829
Energy: 0.9840425725429643
Energy: 1.3322423149317673
Energy: 0.9840425725458255
Energy: 1.0213658578115952
Energy: 1.0817055136723122
Energy: 1.3351784713023618
Energy: 1.0817055137166265
Energy: 1.0213658578130256
Energy: 1.0820321510121427
Energy: 1.3356623294029983
Energy: 1.0820321510392907
Energy: 0.9838540231750778
Energy: 0.9846395751965848
Energy: 1.3310515067335555
Energy: 0.9846395751980155
Energy: 0.9830936519628002
Energy: 0.985159309380284
Energy: 1.3320447933365305
Energy: 0.9851593093860062
Energy: 0.9920902043733146
Energy: 1.0058700464411183
Energy: 1.0056961047898971
Energy: 1.005870046442549
Energy: 0.9682119276189668
Energy: 1.0048963337461738
Energy: 1.3314047183155504
Energy: 1.0048963337461738
Energy: 0.9837059089327541
Energy: 0.9848186522386203
Energy: 1.372850598704784
Energy: 0.9848186522429119
Energy: 0.9676865356722495
Energy: 1.005643662931271
Energy: 0.967942196487544
Energy: 1.0056436629327012
Energy: 1.3325537398572733
Energy: 0.9824964887235127
Energy: 0.9830394744630685
Energy: 0.9824964887278044
Energy: 0.9948165026803675
Energy: 0.9851733343727095
Energy: 1.3732295513807973
Energy: 0.9851733317416824
Energy: 0.9945557637663327
Energy: 1.0620337930696815
Energy: 0.991731927621819
Energy: 1.0620337930696815
Energy: 1.3310502906763326
Energy: 0.9680511228048847
Energy: 0.9667858915830605
Energy: 0.9680511228034541
Energy: 1.3351328214647336
Energy: 1.0061012944759147
Energy: 0.9900785133884382
Energy: 1.006101294505956
Energy: 1.840093267339868
Energy: 1.5989528167555076
Energy: 1.9452117635413133
Energy: 1.5989528167555076
Energy: 1.335374953728435
Energy: 1.0054771217464993
Energy: 0.9900785133898686
Energy: 1.005477121783661
Energy: 1.3320920493086121
Energy: 0.9687809225600934
Energy: 0.9667989409241803
Energy: 0.9687809225600934
Energy: 0.9948008024947186
Energy: 1.0622337396856307
Energy: 0.991731927621819
Energy: 1.0622337396856307

minimum gb energy = 0.9667858915830605 eV
minimum distance =  2.25641046026681 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5652339793961114
Energy: 1.116265800365403
Energy: 1.882566854180474
Energy: 1.116265800362077
Energy: 1.422916621266842
Energy: 1.0805615800063184
Energy: 1.0526668347806403
Energy: 1.0805615800063184
Energy: 1.4217444208319034
Energy: 1.0168312178482881
Energy: 1.015994457316864
Energy: 1.016831217849951
Energy: 1.2262862171447533
Energy: 1.0428623669381658
Energy: 1.052880284320994
Energy: 1.0428623669381658
Energy: 1.268846736252466
Energy: 1.0226561898736157
Energy: 1.2267617747926376
Energy: 1.0226561898736157
Energy: 1.42112286431291
Energy: 1.0662725644256024
Energy: 1.0652455681006698
Energy: 1.0662725644256024
Energy: 1.0417981617837395
Energy: 1.0435339627323998
Energy: 1.0503015070920434
Energy: 1.0435339627323998
Energy: 1.0236184558411612
Energy: 1.0808315294425266
Energy: 1.4491162450673507
Energy: 1.0808315294441895
Energy: 1.041791145936615
Energy: 1.158462856916683
Energy: 1.2469528644552759
Energy: 1.158462856918346
Energy: 1.0330531065537478
Energy: 1.0700599419566725
Energy: 1.2462785380741381
Energy: 1.0700599419566725
Energy: 1.030174241803213
Energy: 1.1583207450122344
Energy: 1.411077674773823
Energy: 1.1583207450089084
Energy: 1.0426057098482975
Energy: 1.0748299935050085
Energy: 1.411435106190984
Energy: 1.0748299934834276
Energy: 1.0299645499319423
Energy: 1.0698394030336942
Energy: 1.2462690216699135
Energy: 1.0698394030370204
Energy: 1.0418598683878577
Energy: 1.1576875199027348
Energy: 1.2476193715639157
Energy: 1.1576875199010719
Energy: 1.0580579167601198
Energy: 1.0672074971465
Energy: 1.4242355329798309
Energy: 1.0672074971465
Energy: 1.0434784581835228
Energy: 1.0428375759730997
Energy: 1.0510042260934362
Energy: 1.0428375759730997
Energy: 1.3120955559190537
Energy: 1.0824803845393698
Energy: 1.0767045762569774
Energy: 1.082480384537707
Energy: 1.2671028079636975
Energy: 1.0220697279525113
Energy: 1.2260135777284935
Energy: 1.0220697279541742
Energy: 1.2260868944049297
Energy: 1.0586519987292546
Energy: 1.0531199925998362
Energy: 1.0586519987275917
Energy: 1.2263830241312932
Energy: 1.0862028153261152
Energy: 1.017510720258777
Energy: 1.0862028153261152
Energy: 1.424999602234793
Energy: 1.080534657237256
Energy: 1.0159943151659914
Energy: 1.080534657235593
Energy: 1.456860190640583
Energy: 1.0498974683531703
Energy: 1.0790410011876332
Energy: 1.0498974683548332
Energy: 1.4238926458253411
Energy: 1.189859529956093
Energy: 1.0528133461207705
Energy: 1.1898595299577561
Energy: 1.4220264975775299
Energy: 1.0170180600815537
Energy: 1.017885062688644
Energy: 1.0170180600832166
Energy: 1.2257462473100584
Energy: 1.0427759914550079
Energy: 1.0229140977724274
Energy: 1.042775991453345

minimum gb energy = 1.0159943151659914 eV
minimum distance =  2.26186265201897 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.1618185143503432
Energy: 1.1920940856539979
Energy: 1.8848782863220677
Energy: 1.192094085655779
Energy: 1.1133138880115487
Energy: 1.0691686648886427
Energy: 1.1402358514700894
Energy: 1.0691686648749816
Energy: 1.069197766210002
Energy: 1.0695193316680986
Energy: 1.0694414625843534
Energy: 1.0695193316686848
Energy: 1.1150101133986186
Energy: 1.0705102969313784
Energy: 1.1165540859580925
Energy: 1.0705102969303866
Energy: 1.069546272509636
Energy: 1.07056099592673
Energy: 1.0689314346830128
Energy: 1.0705609959289168
Energy: 1.5845417333999465
Energy: 1.0690557688403535
Energy: 1.114910165748454
Energy: 1.0690557688393614
Energy: 1.0693491707182283
Energy: 1.069980657963342
Energy: 1.0710062661330835
Energy: 1.0699806579635447
Energy: 1.0700616983409392
Energy: 1.0691173921074157
Energy: 1.4617708365192312
Energy: 1.0691173921072354
Energy: 1.14707406202269
Energy: 1.069024637822191
Energy: 1.1131482281558855
Energy: 1.0690246378211992
Energy: 1.1459778848027726
Energy: 1.1128728680497662
Energy: 1.112951985740427
Energy: 1.1128728680495859
Energy: 1.1146042110549328
Energy: 1.2021800713643929
Energy: 1.461079089605316
Energy: 1.2021800713641901
Energy: 1.0692449066507472
Energy: 1.1131247230051724
Energy: 1.0695876131250894
Energy: 1.1131247230043837
Energy: 1.1467295129096546
Energy: 1.1359374841543037
Energy: 1.134724614428797
Energy: 1.1359374841549126
Energy: 1.069899903053454
Energy: 1.482180100315147
Energy: 1.06976881763762
Energy: 1.482180100315147
Energy: 1.1348591410430389
Energy: 1.135485138782574
Energy: 1.146729512910444
Energy: 1.1354851387829796
Energy: 1.0690896090898117
Energy: 1.1136326149969273
Energy: 1.0693367976891681
Energy: 1.1136326149961384
Energy: 1.4611236453515486
Energy: 1.202167522905408
Energy: 1.1148158120026412
Energy: 1.202167522902838
Energy: 1.1129899438185404
Energy: 1.1128767861727882
Energy: 1.1459778848035618
Energy: 1.1128767861715934
Energy: 1.1129903122272191
Energy: 1.0690783853075099
Energy: 1.1470740613740762
Energy: 1.0690783853080958
Energy: 1.4623403668014712
Energy: 1.0696900018987352
Energy: 1.0696466571126155
Energy: 1.0696900018975406
Energy: 1.0704225824796392
Energy: 1.069955680167585
Energy: 1.0699402908216815
Energy: 1.0699556801677879

minimum gb energy = 1.0689314346830128 eV
minimum distance =  2.3227018885235 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2805659231144986
Energy: 1.1919828087767788
Energy: 1.763308521859469
Energy: 1.1919828087785072
Energy: 1.3841396597084963
Energy: 1.2714347795871426
Energy: 1.1545150431846554
Energy: 1.2714347795844385
Energy: 1.1837015460366762
Energy: 1.1518532047841847
Energy: 1.1513140825148143
Energy: 1.1518532047844077
Energy: 1.1658954417009115
Energy: 1.229252383354198
Energy: 1.151617225948634
Energy: 1.2292523833554247
Energy: 1.1847546865429273
Energy: 1.1655483513770282
Energy: 1.3910577919213103
Energy: 1.1655483513758016
Energy: 1.3956371392214195
Energy: 1.2162654989491073
Energy: 1.2278552105819494
Energy: 1.2162654989530381
Energy: 1.1823260289632342
Energy: 1.2166549780068519
Energy: 1.177946001982
Energy: 1.2166549779972895
Energy: 1.1870730370631193
Energy: 1.225454222248817
Energy: 1.3939633579107344
Energy: 1.225454222247841
Energy: 1.1975972725659048
Energy: 1.2162999142563695
Energy: 1.2160927647181108
Energy: 1.2162999142568716
Energy: 1.182843471587476
Energy: 1.202998415383041
Energy: 1.2010379903659933
Energy: 1.2029984153823163
Energy: 1.222801097662703
Energy: 1.2152311442796442
Energy: 1.43712045128538
Energy: 1.215231144280397
Energy: 1.1880321215168586
Energy: 1.2568950805340353
Energy: 1.153923201270938
Energy: 1.2568950805332828
Energy: 1.3853459088886035
Energy: 1.1711191419390559
Energy: 1.1535199925858781
Energy: 1.1711191419388052
Energy: 1.3849496161881605
Energy: 1.2712338941159762
Energy: 1.2362802586949067
Energy: 1.2712338941169519
Energy: 1.3822534943984028
Energy: 1.2714416020489154
Energy: 1.2549367281230446
Energy: 1.2714416020489154
Energy: 1.3847371343454589
Energy: 1.1950812441734178
Energy: 1.1561238201942534
Energy: 1.1950812441724419
Energy: 1.1845170521400066
Energy: 1.2711846718011313
Energy: 1.1519849913121891
Energy: 1.2711846718038355

minimum gb energy = 1.1513140825148143 eV
minimum distance =  2.25251281834886 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.616586266091661
Energy: 1.556074556792627
Energy: 1.6714243073728043
Energy: 1.556074556792627
Energy: 1.2843883148469477
Energy: 1.2347179420249428
Energy: 1.17783243642081
Energy: 1.2347179420249428
Energy: 1.2205847759210988
Energy: 1.165462612812863
Energy: 1.144999787761729
Energy: 1.1654626128156418
Energy: 1.1658466510070595
Energy: 1.16554897994376
Energy: 1.1767815252299172
Energy: 1.16554897994376
Energy: 1.1790194030287335
Energy: 1.155406067008213
Energy: 1.3199548369014058
Energy: 1.155406067008213
Energy: 1.294063205744872
Energy: 1.2272174893849301
Energy: 1.2719755304519904
Energy: 1.227217489454372
Energy: 1.2028324538094568
Energy: 1.1655229216374663
Energy: 1.3190158943784416
Energy: 1.1655229216374663
Energy: 1.150655153524914
Energy: 1.1666568165405178
Energy: 1.3298259177454244
Energy: 1.1666568165432967
Energy: 1.1518953705881607
Energy: 1.2285664685630395
Energy: 1.1870717400561466
Energy: 1.2285664685616502
Energy: 1.3171117404733703
Energy: 1.2057601092161103
Energy: 1.2267734049465921
Energy: 1.205760109214721
Energy: 1.2389088233422523
Energy: 1.2385736094252089
Energy: 1.3042786635125518
Energy: 1.2385736094182613
Energy: 1.2245797127579112
Energy: 1.229515753637557
Energy: 1.1882355399619373
Energy: 1.2295157536431147
Energy: 1.3184153296450012
Energy: 1.2091874437832895
Energy: 1.1821859936069354
Energy: 1.2091874437819
Energy: 1.2334300875797495
Energy: 1.232736425502946
Energy: 1.206360653240707
Energy: 1.2327364255015565
Energy: 1.2341832400404487
Energy: 1.1994117441486825
Energy: 1.3754494668709212
Energy: 1.1994117441500718
Energy: 1.2805780325770215
Energy: 1.2289871089599766
Energy: 1.1889534005407392
Energy: 1.2289871089585873
Energy: 1.1493117908214656
Energy: 1.2257565205701555
Energy: 1.2263861676142427
Energy: 1.225756520568766
Energy: 1.1505653086584038
Energy: 1.2175742632234205
Energy: 1.2790873487101857
Energy: 1.2175742632206417
Energy: 1.1954215432267132
Energy: 1.291288346334677
Energy: 1.2926802915101965
Energy: 1.2912883463332876
Energy: 1.2934317166072464
Energy: 1.206341216867015
Energy: 1.3955415981430765
Energy: 1.2063412168684042
Energy: 1.173092722943684
Energy: 1.2295398053808493
Energy: 1.2596657633818176
Energy: 1.2295398053780702
Energy: 1.180668907583454
Energy: 1.2770169130183722
Energy: 1.1763382327302567
Energy: 1.2770169130142042
Energy: 1.2703252470648823
Energy: 1.1927939260308014
Energy: 1.188984492210276
Energy: 1.1927939260294118
Energy: 1.4027047871471672
Energy: 1.3325625585594463
Energy: 1.2422246977224962
Energy: 1.3325625585608358
Energy: 1.335095968171349
Energy: 1.3329285832652005
Energy: 1.2452583801655208
Energy: 1.3329285832624216
Energy: 1.2544198144772225
Energy: 1.1972257149480443
Energy: 1.199110831555559
Energy: 1.1972257149480443
Energy: 1.179604402257961
Energy: 1.2257290739362254
Energy: 1.166248003899861
Energy: 1.2257290739390043
Energy: 1.1734764758330918
Energy: 1.1741904420295983
Energy: 1.3085983410646307
Energy: 1.1741904420295983
Energy: 1.2265182732450588
Energy: 1.193571174386759
Energy: 1.3848214205718403
Energy: 1.193571174389538
Energy: 1.2020032862085879
Energy: 1.2944826030688144
Energy: 1.2530345456067031
Energy: 1.2944826030702037

minimum gb energy = 1.144999787761729 eV
minimum distance =  2.25129229302604 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.1041278077459342
Energy: 1.1071368293585413
Energy: 1.7045893623542108
Energy: 1.1071368293585413
Energy: 1.1146113008454355
Energy: 1.1940042107117048
Energy: 1.1049580957656335
Energy: 1.194004210713304
Energy: 1.2736392585489251
Energy: 1.131390491666074
Energy: 1.1142073762310583
Energy: 1.1313904928068785
Energy: 1.1142332643160135
Energy: 1.1317855447095924
Energy: 1.273603200945637
Energy: 1.1317855447095924
Energy: 1.1049749190089475
Energy: 1.194076964454659
Energy: 1.1142902829938621
Energy: 1.194076964454659
Energy: 1.7045893623545376
Energy: 1.1071368293553427
Energy: 1.1041278077452799
Energy: 1.1071368293604316
Energy: 1.1049580957649794
Energy: 1.1940042107117048
Energy: 1.1146113008457625
Energy: 1.1940042107110869
Energy: 1.1142073762307312
Energy: 1.1313904896824247
Energy: 1.273639258548598
Energy: 1.1313904865774544
Energy: 1.2736032009427656
Energy: 1.1317855447102103
Energy: 1.1142332643156865
Energy: 1.1317855447098832
Energy: 1.1142902829938621
Energy: 1.194076964455604
Energy: 1.1049749190080023
Energy: 1.1940769644549862
Energy: 1.1041278077456071
Energy: 1.1071368293588322
Energy: 1.7045893623487578
Energy: 1.1071368293588322
Energy: 1.1146113008451444
Energy: 1.1940042107117048
Energy: 1.1049580957656335
Energy: 1.1940042107104325
Energy: 1.2736392585501974
Energy: 1.1313904866663298
Energy: 1.1142073762310583
Energy: 1.1313904858129802

minimum gb energy = 1.1041278077452799 eV
minimum distance =  2.26247142592064 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.3444622119594736
Energy: 1.469546661656931
Energy: 1.6116211801590885
Energy: 1.469546661656931
Energy: 1.3651722020243213
Energy: 1.3523946215673461
Energy: 1.2235475346654698
Energy: 1.3523946215602427
Energy: 1.2377982045451925
Energy: 1.1811388400808471
Energy: 1.1812534905580647
Energy: 1.181138840077295
Energy: 1.1763962641246182
Energy: 1.1887865622683134
Energy: 1.2391643034854536
Energy: 1.1887865622683134
Energy: 1.1880258930171368
Energy: 1.3555266260326373
Energy: 1.3579847212346183
Energy: 1.3555266260326373
Energy: 1.503847324761558
Energy: 1.3958760389099751
Energy: 1.319408652117921
Energy: 1.3958760389123428
Energy: 1.225660216407856
Energy: 1.2527266971616455
Energy: 1.359639685895201
Energy: 1.2527266971604616
Energy: 1.1866962114738406
Energy: 1.222958509033944
Energy: 1.2133477019034773
Energy: 1.2229585090327604
Energy: 1.2292564914689168
Energy: 1.1846142041100771
Energy: 1.185107673823744
Energy: 1.1846142041100771
Energy: 1.3301079492443793
Energy: 1.356466454689934
Energy: 1.2046445138743942
Energy: 1.35646645468875
Energy: 1.2396972362413956
Energy: 1.3843203864431033
Energy: 1.2375220871723154
Energy: 1.384320386447839
Energy: 1.3626892366182477
Energy: 1.2635785988213128
Energy: 1.2257940737768578
Energy: 1.263578598817761
Energy: 1.225960553701818
Energy: 1.2263462203014666
Energy: 1.2285710948306563
Energy: 1.2263462202967308
Energy: 1.1930578776467837
Energy: 1.188599181372753
Energy: 1.3079481949581393
Energy: 1.1885991813692012
Energy: 1.19114838624428
Energy: 1.2241679878832061
Energy: 1.228309101993323
Energy: 1.2241679878808382
Energy: 1.2288313088951017
Energy: 1.2254354377012204
Energy: 1.2308216772262832
Energy: 1.2254354376953007
Energy: 1.3185340276432826
Energy: 1.334212268187383
Energy: 1.3756097638188722
Energy: 1.3342122681921187
Energy: 1.2418116216062178
Energy: 1.3553437783178333
Energy: 1.2066194759869748
Energy: 1.355343778319017
Energy: 1.3702854099586534
Energy: 1.199165672258604
Energy: 1.210616370522163
Energy: 1.199165672256236
Energy: 1.2256086318890258
Energy: 1.2263298350380722
Energy: 1.1899248711865809
Energy: 1.2263298350357046
Energy: 1.2037550898369007
Energy: 1.2309432213597318
Energy: 1.2359137915916139
Energy: 1.2309432213620997
Energy: 1.323071290888976
Energy: 1.1869922018765269
Energy: 1.3576836034679738
Energy: 1.186992201874159
Energy: 1.2406652709174215
Energy: 1.3789070368646161
Energy: 1.3396000807560724
Energy: 1.3789070368693517
Energy: 1.219699925164149
Energy: 1.2192602427247645
Energy: 1.3880245070435988
Energy: 1.2192602427259487
Energy: 1.1865375675065748
Energy: 1.2253941429737554
Energy: 1.1961683464309563
Energy: 1.225394142978491
Energy: 1.3009350596184892
Energy: 1.2372220661743762
Energy: 1.213671667218575
Energy: 1.237222066179112
Energy: 1.5774952228852794
Energy: 1.2010849246738116
Energy: 1.3215648361144425
Energy: 1.2010849246749955
Energy: 1.3685282110789292
Energy: 1.2121422930753034
Energy: 1.327403356929209
Energy: 1.2121422930717516
Energy: 1.3741305971229616
Energy: 1.2370571915433233
Energy: 1.2145566908922245
Energy: 1.237057191548059
Energy: 1.1761162971787393
Energy: 1.2260039233314828
Energy: 1.1959832531529828
Energy: 1.2260039233314828
Energy: 1.2092198668015302
Energy: 1.219385688796544
Energy: 1.4051913439736443
Energy: 1.2193856887977277
Energy: 1.2365887867599874
Energy: 1.187071618875609
Energy: 1.3515194415634209
Energy: 1.1870716188779769
Energy: 1.3980230570908656
Energy: 1.1871744203328414
Energy: 1.3530345179822298
Energy: 1.1871744203304735
Energy: 1.204726573155192
Energy: 1.2278251413166725
Energy: 1.2356492867239117
Energy: 1.2278251413202244
Energy: 1.2166513470484108
Energy: 1.226539418689261
Energy: 1.1928539601203718
Energy: 1.2265394186928127

minimum gb energy = 1.1761162971787393 eV
minimum distance =  2.24698959418626 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.3788911285966636
Energy: 1.2365360117526696
Energy: 1.6637961500258118
Energy: 1.2365360117757653
Energy: 1.379566723883908
Energy: 1.2610723823303636
Energy: 1.225999380807439
Energy: 1.2610723823307477
Energy: 1.1576005219359635
Energy: 1.2197588758171878
Energy: 1.154052828579826
Energy: 1.2197588758177642
Energy: 1.1600227175551223
Energy: 1.2024762519963572
Energy: 1.227322814967005
Energy: 1.2024762519965493
Energy: 1.2370546489686576
Energy: 1.2033173624109312
Energy: 1.3639226193603204
Energy: 1.2033173624107392
Energy: 1.234472557985065
Energy: 1.3606541226922355
Energy: 1.2283315991683843
Energy: 1.3606541226918512
Energy: 1.211560238109184
Energy: 1.2783413540147681
Energy: 1.2982907643621269
Energy: 1.278341354014576
Energy: 1.2051846747042714
Energy: 1.2033898041508289
Energy: 1.1970428440054455
Energy: 1.2033898041506368
Energy: 1.3687906562730183
Energy: 1.2210299140836947
Energy: 1.1951485304265224
Energy: 1.2210299140844416
Energy: 1.2137755792788072
Energy: 1.2209237520879477
Energy: 1.19779096198707
Energy: 1.2209237520872005
Energy: 1.2127650049694483
Energy: 1.2033062172464444
Energy: 1.1966589807942491
Energy: 1.2033062172469993
Energy: 1.3133581568323696
Energy: 1.3671920984627568
Energy: 1.3596870220206376
Energy: 1.3671920984619885
Energy: 1.2345174361626625
Energy: 1.214553039879096
Energy: 1.2243922507024203
Energy: 1.2145530398794802
Energy: 1.2099736544597743
Energy: 1.210946814089103
Energy: 1.4397018260177894
Energy: 1.2109468140911732
Energy: 1.157850911861265
Energy: 1.2049627771282454
Energy: 1.1894976373751922
Energy: 1.2049627771282454
Energy: 1.233511131881022
Energy: 1.2332982413111822
Energy: 1.190258973205947
Energy: 1.2332982413113742
Energy: 1.3898984569875559
Energy: 1.3875132759539608
Energy: 1.35910806915556
Energy: 1.3875132759539608
Energy: 1.4084726552501172
Energy: 1.2239840948345975
Energy: 1.3593430996979994
Energy: 1.2239840948349603
Energy: 1.2715596867156336
Energy: 1.2366613778389604
Energy: 1.1954698944426558
Energy: 1.2366613778389604
Energy: 1.1588114498892743
Energy: 1.214631948040258
Energy: 1.1550576491513438
Energy: 1.214631948040258
Energy: 1.2490726447622125
Energy: 1.2456900581905266
Energy: 1.4860024299490195
Energy: 1.2456900581905266
Energy: 1.2353039292529646
Energy: 1.2126581884049006
Energy: 1.229052458380905
Energy: 1.2126581884035768

minimum gb energy = 1.154052828579826 eV
minimum distance =  2.251173481916 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.3927337635540933
Energy: 1.2034411338005753
Energy: 1.6896288282740803
Energy: 1.2034411337674
Energy: 1.416598374016425
Energy: 1.2488748078996452
Energy: 1.1858476247095362
Energy: 1.2488748079009733
Energy: 1.1348473783159567
Energy: 1.1869671540330693
Energy: 1.1847670828876
Energy: 1.1869671540330693
Energy: 1.1385233073009056
Energy: 1.1735259577231056
Energy: 1.1854707492648564
Energy: 1.1735259577217776
Energy: 1.1808382536016937
Energy: 1.1862824454741172
Energy: 1.1955964188774928
Energy: 1.186282445472789
Energy: 1.1796363397546055
Energy: 1.1725406048790974
Energy: 1.176821071254704
Energy: 1.1725406048790974
Energy: 1.1792577335844185
Energy: 1.238992430011361
Energy: 1.4177183722953934
Energy: 1.2389924300126893
Energy: 1.1759415891280132
Energy: 1.17262155872423
Energy: 1.1831229256555689
Energy: 1.17262155872423
Energy: 1.4177823875918112
Energy: 1.1878113784344448
Energy: 1.217236330839721
Energy: 1.1878113784344448
Energy: 1.2169389545793807
Energy: 1.1726269964263425
Energy: 1.1391377433824237
Energy: 1.1726269964236857
Energy: 1.2062887265517934
Energy: 1.1878233826154738
Energy: 1.1817987143617878
Energy: 1.1878233826141456
Energy: 1.4072563010075128
Energy: 1.1882134840186707
Energy: 1.3938200887040824
Energy: 1.188213484019999
Energy: 1.3964067636430426
Energy: 1.188135263902058
Energy: 1.406213501805845
Energy: 1.1881352639007599
Energy: 1.2172446447867222
Energy: 1.2076158225687348
Energy: 1.2851707169916904
Energy: 1.2076158225700628
Energy: 1.1848405025816493
Energy: 1.1748985865474466
Energy: 1.1349667064877347
Energy: 1.1748985865487747
Energy: 1.341865827964758
Energy: 1.2529156164774538
Energy: 1.1858836918622313
Energy: 1.2529156164747972
Energy: 1.1896572556278942
Energy: 1.1750864618257097
Energy: 1.1794581810806561
Energy: 1.1750864618283663
Energy: 1.196483704693144
Energy: 1.3532611261263217
Energy: 1.4166669380451005
Energy: 1.35326112612765
Energy: 1.1832275477106753
Energy: 1.1739301855763025
Energy: 1.1893502453315326
Energy: 1.173930185574974
Energy: 1.1842462569827803
Energy: 1.1862967412638692
Energy: 1.1963423518495837
Energy: 1.1862967412625407
Energy: 1.135972002690916
Energy: 1.185061620034366
Energy: 1.187009241175469
Energy: 1.1850616200356943
Energy: 1.1358718948879496
Energy: 1.1858796842185018
Energy: 1.1889502506781564
Energy: 1.1858796842185018
Energy: 1.4162418294092283
Energy: 1.2537885586571866
Energy: 1.1844743748651734
Energy: 1.2537885586558584
Energy: 1.3982797793084416
Energy: 1.1964404185433795
Energy: 1.3937443093602675
Energy: 1.1964404185540052
Energy: 1.3955078625304185
Energy: 1.3550414316789672
Energy: 1.1354865967828331
Energy: 1.3550414316736543
Energy: 1.2810725870809554
Energy: 1.1870912486333036
Energy: 1.1895621036858304
Energy: 1.1870912486333036
Energy: 1.1349391700450409
Energy: 1.1719308934798935
Energy: 1.2155166592356461
Energy: 1.1719308934785655
Energy: 1.184503305151109
Energy: 1.1859664028313728
Energy: 1.4186914238030761
Energy: 1.1859664028313728
Energy: 1.180194483390266
Energy: 1.1718690166574555
Energy: 1.171390657888013
Energy: 1.1718690166574555
Energy: 1.4175022541436906
Energy: 1.2167038290937493
Energy: 1.417299814165777
Energy: 1.2167038290950773
Energy: 1.1716173472362519
Energy: 1.171705912741189
Energy: 1.1801944832960223
Energy: 1.171705912741189

minimum gb energy = 1.1348473783159567 eV
minimum distance =  2.26358438590025 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.9949446213017111
Energy: 1.049152782018683
Energy: 1.6711361273143437
Energy: 1.049152782018683
Energy: 1.3133978825330315
Energy: 1.0742603743142234
Energy: 1.0477540853816163
Energy: 1.0742603743137606
Energy: 1.2264322690985363
Energy: 1.0080400653934791
Energy: 1.0078206333604083
Energy: 1.0080400653930164
Energy: 1.3116211423064004
Energy: 1.0502001715046665
Energy: 1.0493241450188941
Energy: 1.050200171505566
Energy: 1.3137351268906892
Energy: 1.0080270077906577
Energy: 1.009142250282905
Energy: 1.008027007790221
Energy: 1.2281957622541297
Energy: 1.007953096643107
Energy: 1.0082361688857255
Energy: 1.0079530966422072
Energy: 1.3114537790478744
Energy: 1.0082378602163415
Energy: 1.45218253519905
Energy: 1.0082378602154165
Energy: 0.9997272949328931
Energy: 1.0078222803980592
Energy: 1.4500664412408413
Energy: 1.0078222803971597
Energy: 1.51488680970202
Energy: 1.1008284389604985
Energy: 1.100811151228568
Energy: 1.1008284389600358

minimum gb energy = 0.9949446213017111 eV
minimum distance =  2.29978505138085 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.166562711247734
Energy: 1.0583400946609054
Energy: 1.6242738016066354
Energy: 1.0583400946596508
Energy: 1.3575775763514624
Energy: 1.0729105063809974
Energy: 1.2161593795260006
Energy: 1.0729105064085431
Energy: 1.1212754283396011
Energy: 1.163148669674163
Energy: 1.0186847467073121
Energy: 1.1631486696478148
Energy: 1.1205437378469718
Energy: 1.063961480608425
Energy: 1.2357243590707132
Energy: 1.0639614806146982
Energy: 1.075047086211358
Energy: 1.0287655859924045
Energy: 1.0406727059592764
Energy: 1.0287655859961684
Energy: 1.0871196907018714
Energy: 1.0552268969265568
Energy: 1.0407158378810364
Energy: 1.0552268969215381
Energy: 1.1561241008405716
Energy: 1.1705721285869382
Energy: 1.1970689389687073
Energy: 1.1705721285856836
Energy: 1.1564066541812894
Energy: 1.2378123243462722
Energy: 1.3639455966737821
Energy: 1.2378123243462722
Energy: 1.4136129230075931
Energy: 1.034320835398804
Energy: 1.1564019057399482
Energy: 1.034320835402511
Energy: 1.3167313042251394
Energy: 1.034423178260832
Energy: 1.1535649605796383
Energy: 1.0344231782583226
Energy: 1.029500261698974
Energy: 1.0312759416257218
Energy: 1.0921732934525779
Energy: 1.0312759416269766
Energy: 1.0284423088018084
Energy: 1.1594852450783775
Energy: 1.094358151352548
Energy: 1.1594852450833961
Energy: 1.264019267702471
Energy: 1.0942549825258694
Energy: 1.0922843852031519
Energy: 1.094254982527124
Energy: 1.0339587264801564
Energy: 1.0283019327683758
Energy: 1.0924732059754931
Energy: 1.028301932767121
Energy: 1.086118554902059
Energy: 1.2022390808548309
Energy: 1.5445757008942855
Energy: 1.20223908085734
Energy: 1.3142112077405745
Energy: 1.0519377400999974
Energy: 1.153510082136456
Energy: 1.0519377400999974
Energy: 1.3148958351574662
Energy: 1.1022719625856876
Energy: 1.2526514338411858
Energy: 1.1022719625919613
Energy: 1.0229189636120908
Energy: 1.1527089323655653
Energy: 1.1957167094982144
Energy: 1.15270893236682
Energy: 1.162472912556203
Energy: 1.043118974304838
Energy: 1.1668489147878363
Energy: 1.043118974304838
Energy: 1.0612998235170745
Energy: 1.1627315205796418
Energy: 1.0417863513458943
Energy: 1.1627315205758777
Energy: 1.0599967623826563
Energy: 1.0628214023600666
Energy: 1.0504678606044457
Energy: 1.0628214023588118
Energy: 1.1747774052594722
Energy: 1.0281720796186826
Energy: 1.0352821148739377
Energy: 1.0281720796149187
Energy: 1.1210358116717658
Energy: 1.162101403943029
Energy: 1.0188665739914875
Energy: 1.1621014039380104
Energy: 1.4300810975339129
Energy: 1.0382076492618093
Energy: 1.522336279314525
Energy: 1.038207649263064
Energy: 1.5339560063271456
Energy: 1.0382764094262762
Energy: 1.5295849149101672
Energy: 1.038276409423767
Energy: 1.2621175224705827
Energy: 1.1588525113583767
Energy: 1.0192263209305514
Energy: 1.1588525113571224
Energy: 1.1501842473864443
Energy: 1.1778346920345446
Energy: 1.0188303569740178
Energy: 1.1778346920345446
Energy: 1.0610953068697973
Energy: 1.1623047737738612
Energy: 1.2165318694608618
Energy: 1.1623047737726067
Energy: 1.060487277013316
Energy: 1.3082521678452446
Energy: 1.044137770838477
Energy: 1.3082521678489516
Energy: 1.4346022346148313
Energy: 1.2804911127191294
Energy: 1.169176534603568
Energy: 1.2804911127153655
Energy: 1.0871934701776471
Energy: 1.2367357946143942
Energy: 1.2001265559169052
Energy: 1.2367357946156488
Energy: 1.1915496114307214
Energy: 1.054331930267925
Energy: 1.4923134305908956
Energy: 1.0543319302691798
Energy: 1.4773672359447652
Energy: 1.0526273359463176
Energy: 1.1567887191078738
Energy: 1.0526273359525908

minimum gb energy = 1.0186847467073121 eV
minimum distance =  2.30044284514341 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9701628731633458
Energy: 0.9699146954216606
Energy: 1.6597123568520609
Energy: 0.9699146954233953
Energy: 1.058731324177685
Energy: 1.1546465532493821
Energy: 1.0876920392796456
Energy: 1.1546465532476473
Energy: 1.20719559620384
Energy: 1.0184416335054298
Energy: 1.0196432089498026
Energy: 1.0184416335054298
Energy: 1.0883201184149451
Energy: 1.019076130343115
Energy: 1.0178090989246475
Energy: 1.019076130343115
Energy: 1.070143339864507
Energy: 1.0570878451925905
Energy: 1.0697913724256765
Energy: 1.0570878451925905
Energy: 1.0711343796619643
Energy: 1.0693506905727095
Energy: 1.072282283644729
Energy: 1.0693506905727095
Energy: 1.0172449428630008
Energy: 1.1018369120765465
Energy: 1.2066764811103028
Energy: 1.1018369120765465
Energy: 1.0174304109041497
Energy: 1.0194092504191015
Energy: 1.208820350398539
Energy: 1.0194092504173669
Energy: 1.191608542199362
Energy: 1.0569819166549166
Energy: 0.9699279688893951
Energy: 1.0569819166549166
Energy: 1.1916085421958926
Energy: 1.0565264001623809
Energy: 0.978327064820389
Energy: 1.0565264001623809
Energy: 1.0173784086748567
Energy: 1.01921494411109
Energy: 1.2088203504315
Energy: 1.01921494411109
Energy: 1.0174902772001604
Energy: 1.1018629208391004
Energy: 1.2066764811103028
Energy: 1.1018629208391004
Energy: 1.0698310464622889
Energy: 1.0691170372116434
Energy: 1.072910065826148
Energy: 1.0691170372133785
Energy: 1.0701110492060364
Energy: 1.0568525060948395
Energy: 1.071791286225097
Energy: 1.0568525060948395
Energy: 1.088390784998948
Energy: 1.018892657810401
Energy: 1.0186759433271324
Energy: 1.018892657810401
Energy: 1.2071955962021055
Energy: 1.0187667501171023
Energy: 1.0196440190808003
Energy: 1.0187667501171023
Energy: 1.0596230127630972
Energy: 1.154660384581561
Energy: 1.0879125199488107
Energy: 1.154660384583296
Energy: 0.970162873161611
Energy: 0.9699146954216606
Energy: 1.6597123568572651
Energy: 0.9699146954233953
Energy: 1.058731324177685
Energy: 1.1546465532459123
Energy: 1.0876920392813805
Energy: 1.1546465532459123
Energy: 1.2071955962021055
Energy: 1.0184416335054298
Energy: 1.0196432089498026
Energy: 1.018441633503695
Energy: 1.0883201184149451
Energy: 1.01907613034485
Energy: 1.0178090989229125
Energy: 1.019076130343115
Energy: 1.0701433398662417
Energy: 1.057087845190856
Energy: 1.0697913724239418
Energy: 1.0570878451925905
Energy: 1.0711343796446167
Energy: 1.0693506905709744
Energy: 1.0722822836429946
Energy: 1.0693506905709744
Energy: 1.0172449428647357
Energy: 1.1018369120782812
Energy: 1.2066764811068333
Energy: 1.1018369120782812

minimum gb energy = 0.9699146954216606 eV
minimum distance =  2.28921081082829 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4027824920349068
Energy: 1.2890764840024749
Energy: 1.6249388580364124
Energy: 1.2890764840035467
Energy: 1.3799365278863867
Energy: 1.1256518906884052
Energy: 1.2648277379994233
Energy: 1.1256518906915731
Energy: 1.1431038519535053
Energy: 1.0875236872938756
Energy: 0.9971257975259051
Energy: 1.0875236872981648
Energy: 1.1057919304020112
Energy: 1.0658039562314443
Energy: 1.339774420016484
Energy: 1.0658039562282275
Energy: 1.0195921500138672
Energy: 0.9989465916843271
Energy: 1.0347655449933855
Energy: 0.9989465916821826
Energy: 1.027224017841325
Energy: 1.039707091713566
Energy: 1.0350169882688771
Energy: 1.039707091713566
Energy: 1.008387127438486
Energy: 1.0086872271312308
Energy: 1.1108313469366018
Energy: 1.0086872271290865
Energy: 0.9978604617432
Energy: 1.0987708126370563
Energy: 1.0828292755855935
Energy: 1.0987708126338396
Energy: 1.3953735467495032
Energy: 1.1566351068117067
Energy: 1.3106259855553235
Energy: 1.1566351068095622
Energy: 1.0645321255252107
Energy: 1.1556907142396209
Energy: 1.314714526926666
Energy: 1.1556907142342598
Energy: 1.085541408019129
Energy: 1.1539626795514393
Energy: 1.0825441503577415
Energy: 1.1539626795503668
Energy: 1.08575794086568
Energy: 1.0125058276900314
Energy: 1.2292239294817435
Energy: 1.0125058276878869
Energy: 1.0702443269835722
Energy: 1.0098372132459956
Energy: 1.00882629458059
Energy: 1.009837213247068
Energy: 1.0609529187065365
Energy: 0.999066510384726
Energy: 1.011318695056708
Energy: 0.999066510384726
Energy: 1.072189801319896
Energy: 1.0265347078632288
Energy: 1.0087185029767196
Energy: 1.0265347078610843
Energy: 1.0734592898760782
Energy: 1.0073206208385803
Energy: 1.012394163008086
Energy: 1.0073206208364358
Energy: 1.3477693938581943
Energy: 1.0514771474170954
Energy: 1.1647469406210955
Energy: 1.0514771474192397
Energy: 1.0858125642773115
Energy: 1.0872267703464016
Energy: 1.2385290689652857
Energy: 1.0872267761146448
Energy: 1.2996871373487815
Energy: 1.2499787774087956
Energy: 1.2654016172809608
Energy: 1.2499787774270237
Energy: 1.3545921586915195
Energy: 1.2780389312493423
Energy: 1.0937169220938878
Energy: 1.2780389312461256
Energy: 1.1882101843674093
Energy: 1.1557245584466314
Energy: 1.3976767832427512
Energy: 1.1557245584294757
Energy: 0.997950434165405
Energy: 1.0014620377322587
Energy: 1.120068982569339
Energy: 1.0014620377322587
Energy: 1.1035473006598782
Energy: 1.04211678841893
Energy: 1.037662132375041
Energy: 1.0421167884124964
Energy: 1.0298354362217503
Energy: 1.0078228534302422
Energy: 1.0471713256943496
Energy: 1.007822853428098
Energy: 1.0195719032451165
Energy: 1.0280288200917524
Energy: 1.049568074949844
Energy: 1.0280288200906802
Energy: 1.1288138365191602
Energy: 1.0972429812794373
Energy: 1.0047803892442901
Energy: 1.0972429812783653
Energy: 1.0263940091122141
Energy: 1.1035455634243128
Energy: 1.1004801353786797
Energy: 1.1035455634210962
Energy: 1.4104071317636346
Energy: 1.0432087252696993
Energy: 1.4685554508632623
Energy: 1.0432087252686273
Energy: 1.3946926747428758
Energy: 1.0439648360600844
Energy: 1.047906744565732
Energy: 1.0439648360579399
Energy: 1.1316070423238866
Energy: 1.0899241295704503
Energy: 1.0041345789550027
Energy: 1.0899241295683058
Energy: 1.131876960008382
Energy: 0.9982019152118945
Energy: 1.0894346380676996
Energy: 0.9982019152129665
Energy: 1.0293848564975394
Energy: 1.0262921846539563
Energy: 1.035484931602605
Energy: 1.0262921846507396
Energy: 1.0204915304072042
Energy: 1.008306142442209
Energy: 1.049620735459721
Energy: 1.0083061424400646
Energy: 1.100068291527665
Energy: 1.009265616764067
Energy: 1.120166846887805
Energy: 1.009265616768356
Energy: 0.9996735358433696
Energy: 1.027683858937009
Energy: 1.0815918618745508
Energy: 1.02768385893272
Energy: 1.2575947105077574
Energy: 1.043355453127373
Energy: 1.3760986329140106
Energy: 1.0433554531295175
Energy: 1.4871235558419091
Energy: 1.2793941390154457
Energy: 1.0958235109869627
Energy: 1.2793941390154457
Energy: 1.2830475666047785
Energy: 1.2062135839224737
Energy: 1.361193624272499
Energy: 1.2062135839224737

minimum gb energy = 0.9971257975259051 eV
minimum distance =  2.29584539869468 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1629713857545485
Energy: 1.3141190057440761
Energy: 1.62420749102577
Energy: 1.31411900574465
Energy: 1.2003843784719164
Energy: 1.2010042034296535
Energy: 1.2150964936187105
Energy: 1.2010042034290798
Energy: 1.2062592717254985
Energy: 0.9487636169571416
Energy: 0.9482263413361014
Energy: 0.9487636169579704
Energy: 1.0338873535711164
Energy: 0.9852427017871851
Energy: 1.3134851680160675
Energy: 0.9852427017868981
Energy: 0.9851277080902924
Energy: 0.9846515629318989
Energy: 1.1098735585989739
Energy: 0.984651562930783
Energy: 0.984675219354558
Energy: 1.1117286531356805
Energy: 1.108557122793898
Energy: 1.1117286531348196
Energy: 0.9844647977322215
Energy: 0.9483006375000919
Energy: 1.1130173244341581
Energy: 0.9483006374998051
Energy: 0.9849333871825303
Energy: 0.9846715943467326
Energy: 1.1111613059354262
Energy: 0.9846715943444689
Energy: 1.20099037475295
Energy: 0.9842084500306272
Energy: 0.9486047154057933
Energy: 0.984208450030914
Energy: 0.9848836788278517
Energy: 0.984007325639976
Energy: 0.9496121732561698
Energy: 0.9840073256408048
Energy: 1.1628715343400082
Energy: 1.144453832349813
Energy: 1.1124344275201097
Energy: 1.144453832349526
Energy: 1.1678182791954357
Energy: 1.1410723219581622
Energy: 1.1120704799477268
Energy: 1.1410723219578753
Energy: 1.208985437416476
Energy: 0.9846526853092453
Energy: 0.9485926007731894
Energy: 0.9846526853086716
Energy: 1.20350482839365
Energy: 0.9850577476975692
Energy: 0.9495600672727172
Energy: 0.9850577476989719
Energy: 0.983939671505916
Energy: 0.9844267432459187
Energy: 1.0939332846421665
Energy: 0.9844267432467795

minimum gb energy = 0.9482263413361014 eV
minimum distance =  2.2994715439517 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.0800111149062765
Energy: 0.9774518188621379
Energy: 1.5984304080317104
Energy: 0.9774518188633139
Energy: 1.0708637689617702
Energy: 1.1969887346756074
Energy: 1.0732430577816952
Energy: 1.1969887346744317
Energy: 1.202317499186411
Energy: 1.0572812657044897
Energy: 1.0565875502249409
Energy: 1.0572812657044897
Energy: 0.9950303947483659
Energy: 1.047018411628695
Energy: 1.0987576752517658
Energy: 1.0470184116310466
Energy: 0.9772791987416489
Energy: 1.082791553698389
Energy: 1.1578672918947872
Energy: 1.0827915537030923
Energy: 1.1803616527108993
Energy: 1.1366173656584753
Energy: 1.1180034449147518
Energy: 1.1366173656572993
Energy: 0.9924438166159509
Energy: 1.1133474349583818
Energy: 0.9946370467127837
Energy: 1.1133474349560302
Energy: 1.0002141778653986
Energy: 0.9952561814631201
Energy: 0.9933485529139168
Energy: 0.9952561814642961
Energy: 1.1539769212538276
Energy: 1.083848262899606
Energy: 0.9767800002845889
Energy: 1.0838482629054855
Energy: 1.2405609991736517
Energy: 1.138607138575019
Energy: 1.1102103753481578
Energy: 1.1386071385832504
Energy: 1.0633647496381058
Energy: 1.1135506089963478
Energy: 1.2001995829680125
Energy: 1.1135506089951719
Energy: 1.0899912982007232
Energy: 1.1133300860233966
Energy: 0.9922685569635025
Energy: 1.1133300860245725
Energy: 1.0634729861453576
Energy: 0.9786889216525376
Energy: 1.0889315729508748
Energy: 0.9786889216537135
Energy: 1.1720284401435215
Energy: 0.977377274346266
Energy: 1.2291941018444983
Energy: 0.97737727434509
Energy: 1.0646688171647456
Energy: 1.1127723231727757
Energy: 1.2159728950081474
Energy: 1.1127723231657205
Energy: 1.0572113375719112
Energy: 1.1134910326249718
Energy: 1.2050279206440586
Energy: 1.113491032623796
Energy: 1.0517827024891075
Energy: 1.2540080253275012
Energy: 0.9765245387233513
Energy: 1.2540080253286772
Energy: 1.1573979355943442
Energy: 1.2533199166491789
Energy: 1.08414723216289
Energy: 1.2533199166491789
Energy: 0.9920216296826551
Energy: 1.0579992756514658
Energy: 1.0006124124527505
Energy: 1.05799927565029
Energy: 1.0006575266932323
Energy: 1.0577426072984972
Energy: 0.992048299116615
Energy: 1.0577426072867382
Energy: 1.083591592500307
Energy: 1.2531081769482868
Energy: 1.1571280835249527
Energy: 1.2531081769494627
Energy: 0.97650663254595
Energy: 1.254039360103871
Energy: 1.0517827024879316
Energy: 1.254039360103871
Energy: 1.2050279206440586
Energy: 1.1146533186365346
Energy: 1.0570237740932606
Energy: 1.114653318641238
Energy: 1.2159728950069717
Energy: 1.1133879085358345
Energy: 1.065272849561457
Energy: 1.1133879083947802
Energy: 1.2285282509145579
Energy: 0.9767329515674471
Energy: 1.172092484810147
Energy: 0.9767329515709747
Energy: 1.0859896505914821
Energy: 0.9829348292410779
Energy: 1.063472986143006
Energy: 0.9829348292387261
Energy: 0.9932739307232765
Energy: 1.1135981913049011
Energy: 1.089869577035098
Energy: 1.1135981913072528
Energy: 1.2001995829668366
Energy: 1.1134363251476478
Energy: 1.0632580923231845
Energy: 1.113436325148824
Energy: 1.1105096158119294
Energy: 1.1383959276782962
Energy: 1.2405620753869468
Energy: 1.138395927680648
Energy: 0.9767786784540256
Energy: 1.0825196950524492
Energy: 1.154633399400557
Energy: 1.0825196950618565
Energy: 0.9925493589677707
Energy: 0.9948606018557187
Energy: 1.0003004239598987
Energy: 0.9948606018545428
Energy: 0.9957315246556039
Energy: 1.1143297707056719
Energy: 0.9929046945639752
Energy: 1.11432977070332
Energy: 1.1166062207603418
Energy: 1.1368921140410897
Energy: 1.1804931095771423
Energy: 1.1368921140857202
Energy: 1.1576975658011315
Energy: 1.0834767646545107
Energy: 0.9772423664881796
Energy: 1.0834767646568626
Energy: 1.1620320136705484
Energy: 1.047336525117933
Energy: 0.9946681913368197
Energy: 1.0473365251144056

minimum gb energy = 0.97650663254595 eV
minimum distance =  2.30770126027763 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1494060115088207
Energy: 1.2399885911891209
Energy: 1.5283411737660857
Energy: 1.2399885911899253
Energy: 1.091251626823801
Energy: 0.9913486867805816
Energy: 1.0757400265191226
Energy: 0.9913486867809723
Energy: 1.1980394248040411
Energy: 1.1901606998112686
Energy: 1.1298033902315876
Energy: 1.190160699810648
Energy: 1.102185335996897
Energy: 1.1742650128923475
Energy: 1.152298959405874
Energy: 1.1742650128919336
Energy: 1.0077455451841444
Energy: 1.0090095408386266
Energy: 1.0665147485273165
Energy: 1.0090095408386266
Energy: 1.181734396877754
Energy: 1.0381741535481
Energy: 1.0665835482762671
Energy: 1.038174153526053
Energy: 0.9925843301297768
Energy: 1.189895971261195
Energy: 1.038795822143323
Energy: 1.189895971260597
Energy: 1.059342741917034
Energy: 1.1533628770853566
Energy: 1.0956294045177413
Energy: 1.153362877086368
Energy: 0.9922368310179172
Energy: 1.0085358642992077
Energy: 1.0384339839679186
Energy: 1.0085358642998055
Energy: 1.1466498144918906
Energy: 1.039895072962368
Energy: 1.0662308002555325
Energy: 1.0398950729613565
Energy: 1.0082388924118026
Energy: 1.0088747145797896
Energy: 1.0659254151366784
Energy: 1.0088747145801802
Energy: 1.042683212418976
Energy: 1.1942386179306526
Energy: 1.094791862426189
Energy: 1.194238617932262
Energy: 1.1990889104662328
Energy: 1.0092225651424642
Energy: 1.1303064805206426
Energy: 1.0092225651422573
Energy: 1.0825046358395212
Energy: 1.0080628389618305
Energy: 1.122238212954521
Energy: 1.0080628389618305
Energy: 1.149344621195921
Energy: 1.0372900228198585
Energy: 1.0701585730790222
Energy: 1.0372900227385669
Energy: 1.1307490237501177
Energy: 0.976327048377561
Energy: 1.1189954329648242
Energy: 0.9763270483741123
Energy: 1.1989435369470232
Energy: 1.0094773512650526
Energy: 1.1306667562764716
Energy: 1.0094773512662711
Energy: 1.0557757151254195
Energy: 1.0098144846610035
Energy: 1.1497039525013888
Energy: 1.0098144846618082
Energy: 1.0081823939360774
Energy: 1.0087571640789155
Energy: 1.0686807075569424
Energy: 1.008757164078088
Energy: 1.009274414035207
Energy: 1.0411350831539825
Energy: 1.0686930542996904
Energy: 1.0411350831545803

minimum gb energy = 0.9763270483741123 eV
minimum distance =  2.27388562863923 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1484063388536039
Energy: 0.9673305266833705
Energy: 1.335863437964409
Energy: 0.9673305266802109
Energy: 1.0038452762503678
Energy: 1.095723218370982
Energy: 0.9832669900364853
Energy: 1.095723218370982
Energy: 1.1063231690406476
Energy: 1.110622535706112
Energy: 1.1158029187980647
Energy: 1.1106225357076913
Energy: 1.0376875083961477
Energy: 1.1498206465673464
Energy: 1.080955832054184
Energy: 1.149820646568926
Energy: 1.02146331596036
Energy: 1.0822254630454147
Energy: 0.984222062600685
Energy: 1.0822254630485744
Energy: 1.057931346035038
Energy: 1.063362392728743
Energy: 1.0172985097339713
Energy: 1.063362392728743
Energy: 0.950741258317286
Energy: 1.0818769302195195
Energy: 1.0125790804595085
Energy: 1.0818769302210993
Energy: 0.9950949308396579
Energy: 1.0783572352985507
Energy: 1.0780960822352244
Energy: 1.0783572353001307
Energy: 0.9461988068491004
Energy: 1.0846396417583626
Energy: 0.9632673622236736
Energy: 1.0846396417583626
Energy: 1.0317727278715738
Energy: 1.1206995843518905
Energy: 1.0175592124502575
Energy: 1.12069958435505
Energy: 0.9506960931536237
Energy: 1.0829437792588792
Energy: 0.9586581712835754
Energy: 1.0829437792588792
Energy: 0.9949746956265781
Energy: 1.0783305675527262
Energy: 1.0813198685490135
Energy: 1.078330567554306
Energy: 0.9464138339081569
Energy: 1.0812762420308826
Energy: 1.0166161929689963
Energy: 1.0812762420308826
Energy: 1.0316337934761246
Energy: 1.084323779053363
Energy: 0.9941505954925315
Energy: 1.084323779053363
Energy: 1.0260356750501385
Energy: 1.0822144125389421
Energy: 0.9791616170832604
Energy: 1.0822144125389421
Energy: 1.03812784452758
Energy: 1.0815825263449244
Energy: 1.0210048547066028
Energy: 1.0815825263480838
Energy: 1.1050548713987347
Energy: 1.110161312396105
Energy: 1.1201018285327635
Energy: 1.110161312396105
Energy: 1.0131363666380924
Energy: 1.0473390053937166
Energy: 1.0610368142088467
Energy: 1.0473390053952962
Energy: 1.1507119031593123
Energy: 0.9645884164044294
Energy: 0.9806392352822818
Energy: 0.9645884164044294
Energy: 1.0052139693826714
Energy: 0.9663524506025913
Energy: 0.9827196974056724
Energy: 0.9663524506057509
Energy: 1.1274889294579373
Energy: 1.1092065968672757
Energy: 1.1201872048969144
Energy: 1.1092065968656961
Energy: 0.9881587752322957
Energy: 0.9483796446141193
Energy: 1.1010906406533614
Energy: 0.9483796446172789
Energy: 1.0261817035779839
Energy: 1.0809012730721466
Energy: 0.9809226428882352
Energy: 1.0809012730721466
Energy: 1.055318899253239
Energy: 1.0799053155515368
Energy: 0.9997353097785898
Energy: 1.0799053155515368
Energy: 0.9476154021390271
Energy: 1.0807950198107403
Energy: 1.0163997273182104
Energy: 1.0807950198139
Energy: 1.0494931412677015
Energy: 1.0809952799538625
Energy: 1.0182960681003046
Energy: 1.0809952799538625

minimum gb energy = 0.9461988068491004 eV
minimum distance =  2.26877968856819 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.196764485360147
Energy: 1.048122881146117
Energy: 1.1987694512072944
Energy: 1.0481228811487069
Energy: 0.9288733925462136
Energy: 1.0079552658954856
Energy: 1.0298468448835212
Energy: 1.0079552663563536
Energy: 1.0196921056692987
Energy: 1.023183075064512
Energy: 1.0948943560512343
Energy: 1.0231830750632167
Energy: 1.0132805641607814
Energy: 0.8911388534584352
Energy: 1.0475349287666045
Energy: 0.891138853473977
Energy: 1.079756625167848
Energy: 1.0042885859665867
Energy: 0.9157278263367904
Energy: 1.0042885859691768
Energy: 0.9553178209045021
Energy: 1.0041240655706425
Energy: 0.9547309917057389
Energy: 1.004124065566757
Energy: 0.9167344489082583
Energy: 0.9874028182244693
Energy: 0.9943594122270683
Energy: 0.9874028182218789
Energy: 0.9515118238465841
Energy: 0.9861307765839326
Energy: 0.9888585700436476
Energy: 0.9861307765761615
Energy: 0.9920956041749419
Energy: 0.9874376342171918
Energy: 0.8955714563495201
Energy: 0.9874376342171918
Energy: 1.0026699227077174
Energy: 0.9646939164051683
Energy: 0.9411197405705324
Energy: 0.9646939164051683
Energy: 0.9389946759198283
Energy: 0.9896636891087357
Energy: 0.9260217055824236
Energy: 0.9896636891100309
Energy: 0.9522673365273889
Energy: 1.0009958275258444
Energy: 0.963222192654103
Energy: 1.0009958275271396
Energy: 0.9359531753662347
Energy: 0.9883167488646288
Energy: 0.9296873324386214
Energy: 0.9883167488646288
Energy: 1.004987331372991
Energy: 0.9895426504026512
Energy: 0.9411551156095095
Energy: 0.9895426504039464
Energy: 0.9546882383173324
Energy: 0.987274573724966
Energy: 0.8920507893814744
Energy: 0.9872745737262612
Energy: 0.9441004471488114
Energy: 0.9865974171184049
Energy: 0.9634237279760085
Energy: 0.9865974171209951
Energy: 0.9141390932115379
Energy: 0.9873082731528408
Energy: 0.9973223432404714
Energy: 0.9873082731554309
Energy: 0.9560151035889668
Energy: 0.9884906977704595
Energy: 0.9580884894383919
Energy: 0.9884906977704595
Energy: 0.9985928911820356
Energy: 1.0038822229533653
Energy: 0.9122422738896103
Energy: 1.0038822229533653
Energy: 0.9871163083981818
Energy: 1.038315079192302
Energy: 0.9344102697724916
Energy: 1.0383150791935971
Energy: 1.0191513979274238
Energy: 1.0172745698452166
Energy: 1.0954266633168976
Energy: 1.0172745698452166
Energy: 0.9304364758454435
Energy: 0.9849482161401062
Energy: 1.033887830928186
Energy: 0.9849482161401062
Energy: 1.0774893530219063
Energy: 1.0473747609269235
Energy: 0.9210839514772917
Energy: 1.0473747609256283
Energy: 1.0618208579198565
Energy: 0.9028688753169756
Energy: 0.9213274173427065
Energy: 0.9028688753143852
Energy: 1.0272986199821696
Energy: 1.0177140021419253
Energy: 1.0951851817426594
Energy: 1.017714002139335
Energy: 0.9277533824035579
Energy: 0.9875802365816295
Energy: 1.038748877536322
Energy: 0.9875802365816295
Energy: 0.9989884156306091
Energy: 1.008235962561438
Energy: 0.9224802293476076
Energy: 1.0082359625588477
Energy: 0.9976008952044357
Energy: 0.9995910227158514
Energy: 0.9857023927649222
Energy: 0.9995910227145562
Energy: 0.9226955312280477
Energy: 0.9910920951413321
Energy: 0.9974703674815844
Energy: 0.9910920951387417
Energy: 0.9539233307861397
Energy: 0.9883641488935988
Energy: 0.9846832160404838
Energy: 0.9883641488935988
Energy: 0.9938035670959579
Energy: 0.9900690189912996
Energy: 0.8996525119575245
Energy: 0.9900690189912996
Energy: 0.9565320368056898
Energy: 0.9889234424192815
Energy: 0.96615911711498
Energy: 0.9889234424192815

minimum gb energy = 0.8911388534584352 eV
minimum distance =  2.26710737020111 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.1523653942797834
Energy: 0.974068272440278
Energy: 1.0940915267117677
Energy: 0.9740682724413752
Energy: 0.8954782380154347
Energy: 0.857384215920449
Energy: 0.876278302662733
Energy: 0.8573842159193518
Energy: 0.9445077330991414
Energy: 0.9524245590687369
Energy: 1.066712819981678
Energy: 0.9524245590676396
Energy: 0.958151403881617
Energy: 0.9311926978508551
Energy: 0.8940188337576185
Energy: 0.9311926977916576
Energy: 1.0494251534121926
Energy: 0.9316129303865027
Energy: 0.8587985066341839
Energy: 0.931612930388697
Energy: 0.9775245664721758
Energy: 0.9280224994132372
Energy: 0.9302110475967819
Energy: 0.9280224994143343
Energy: 0.8532590301467617
Energy: 0.9209450566786396
Energy: 0.9776356157800419
Energy: 0.9209450566786396
Energy: 0.9083592691558864
Energy: 0.9988389595983729
Energy: 0.9435851661080283
Energy: 0.9988389595961784
Energy: 0.9682300254276263
Energy: 0.9100474024337676
Energy: 0.8456116958771647
Energy: 0.9100474024282819
Energy: 0.9334435163990507
Energy: 0.9237071197150412
Energy: 0.9047617854682247
Energy: 0.9237071197194299
Energy: 0.8691586908223952
Energy: 0.9096359351550345
Energy: 0.9089677629520485
Energy: 0.909635935157229
Energy: 0.8986380808206937
Energy: 0.9120075063070132
Energy: 0.942372949919772
Energy: 0.9120075063081103
Energy: 0.9068866533114992
Energy: 0.910901898307055
Energy: 0.8634918905631244
Energy: 0.9109018983048606
Energy: 0.9120484591271479
Energy: 0.9260694420878612
Energy: 0.9055948959369775
Energy: 0.9260694420911527
Energy: 0.9096332185981936
Energy: 0.9095231504816995
Energy: 0.8614272212491039
Energy: 0.9095231504838938
Energy: 0.8995382400422371
Energy: 0.9244258551842381
Energy: 0.9451081632644025
Energy: 0.924425855177655
Energy: 0.8667357998207111
Energy: 0.9099455929077206
Energy: 0.9110480173910597
Energy: 0.9099455929000404
Energy: 0.941048196548355
Energy: 0.9133896290779719
Energy: 0.9022925733907203
Energy: 0.9133896290790691
Energy: 0.9220296402731994
Energy: 0.9108092480378598
Energy: 0.8382482924687326
Energy: 0.9108092480389571
Energy: 0.9115391260567269
Energy: 0.9180603328267173
Energy: 0.9385271768239053
Energy: 0.9180603328311059
Energy: 0.8507326579278547
Energy: 0.9233056393003299
Energy: 0.9789388870463955
Energy: 0.9233056393014271
Energy: 0.8951123055608472
Energy: 0.929748930487667
Energy: 0.9305281403183857
Energy: 0.9297489304866197
Energy: 0.9579829430947777
Energy: 0.9341639076496772
Energy: 0.8566090401604007
Energy: 0.9341639076430942
Energy: 0.9602252581589674
Energy: 0.8606740193932071
Energy: 0.9022365940559514
Energy: 0.8606740193964986
Energy: 0.9372684487865564
Energy: 0.9560484263702712
Energy: 0.9848119223217917
Energy: 0.9560484263702712
Energy: 0.8706189777033123
Energy: 0.9136171015309721
Energy: 0.9845062758486937
Energy: 0.9136171015298749
Energy: 1.0233189255112802
Energy: 0.9625145807748896
Energy: 0.8736022960035555
Energy: 0.9625145807748896
Energy: 0.894114018825576
Energy: 0.856260227861713
Energy: 0.8731687335372716
Energy: 0.856260227861713
Energy: 0.9469564661308134
Energy: 0.9546335803687271
Energy: 0.9842789147512981
Energy: 0.9546335803665329
Energy: 0.8691250139431393
Energy: 0.9226828385494327
Energy: 0.9875722426601493
Energy: 0.9226828385582101
Energy: 0.9746498059805768
Energy: 0.9336423617295926
Energy: 0.8742023039694685
Energy: 0.9336423617306897
Energy: 0.9749199399882328
Energy: 0.9147900210028937
Energy: 0.9098950197098256
Energy: 0.9147900210028937
Energy: 0.8567169963693994
Energy: 0.9234024122160385
Energy: 0.9790649827204949
Energy: 0.9234024122182328
Energy: 0.9073255821458777
Energy: 0.9177548677984041
Energy: 0.9385314296796413
Energy: 0.917754867792918
Energy: 0.9235358103502025
Energy: 0.9120850377565805
Energy: 0.8639563273336963
Energy: 0.9120850377565805
Energy: 0.9288413315514221
Energy: 0.9161611771643869
Energy: 0.9059176071637887
Energy: 0.9161611771621927
Energy: 0.8746111873166141
Energy: 0.9115594861945457
Energy: 0.9110497414908282
Energy: 0.9115594861967402

minimum gb energy = 0.8382482924687326 eV
minimum distance =  2.27156720601519 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.3171878080845274
Energy: 0.919314240836754
Energy: 0.9420096365826999
Energy: 0.9193142408348507
Energy: 0.8085536522641145
Energy: 0.9147423486281219
Energy: 0.8600541540685368
Energy: 0.9147423486290736
Energy: 0.8493553301243968
Energy: 0.9178731373111627
Energy: 1.0935131107080533
Energy: 0.9178731373121143
Energy: 0.8404271786889579
Energy: 0.9559473359834294
Energy: 0.8998487567403496
Energy: 0.9559473359834294
Energy: 1.022693163106403
Energy: 0.873415666457432
Energy: 0.7742240423256258
Energy: 0.8734156664593353
Energy: 0.859738006560199
Energy: 0.9374772238780705
Energy: 0.8825989564817733
Energy: 0.9374772238790221
Energy: 0.7791922837123751
Energy: 0.8725488901687407
Energy: 1.0021400450554676
Energy: 0.8725488901677891
Energy: 0.8645863043792568
Energy: 0.9634770173468016
Energy: 0.8964797427702826
Energy: 0.9634770173487047
Energy: 0.9382564988164883
Energy: 0.8431914797621134
Energy: 0.814745603330117
Energy: 0.843191479763065
Energy: 0.871685643659549
Energy: 0.8500283520604577
Energy: 0.8582856409633223
Energy: 0.8500283520604577
Energy: 0.7847818602261625
Energy: 0.8431552997377222
Energy: 0.9291330283589061
Energy: 0.8431552997396254
Energy: 0.8532321810401035
Energy: 0.8619849856072582
Energy: 0.8715730426801989
Energy: 0.8619849856082098
Energy: 0.8693160231413624
Energy: 0.8430312925905991
Energy: 0.8061994900845885
Energy: 0.8430312925896475
Energy: 0.883716009143858
Energy: 0.8550663168204398
Energy: 0.851961290956534
Energy: 0.8550663168175849
Energy: 0.817462211599292
Energy: 0.8430217013835035
Energy: 0.8710906883755952
Energy: 0.8430217013835035
Energy: 0.8504327408302252
Energy: 0.8412051518959691
Energy: 0.850388512089157
Energy: 0.8412051518950173
Energy: 0.8158524727496907
Energy: 0.8425817026150262
Energy: 0.8231197947088955
Energy: 0.8425817026150262
Energy: 0.8865082317197629
Energy: 0.8420965047231517
Energy: 0.8547949867221466
Energy: 0.8420965047231517
Energy: 0.870295930578378
Energy: 0.8445290368376949
Energy: 0.8310291245639506
Energy: 0.8445290368376949
Energy: 0.8586954054141436
Energy: 0.8279338415606413
Energy: 0.8778985711229147
Energy: 0.8279338415596897
Energy: 0.7829839280966255
Energy: 0.8445292005722707
Energy: 0.8584012301348785
Energy: 0.8445292005722707
Energy: 0.8719434980128735
Energy: 0.8267534382399793
Energy: 0.860121539530757
Energy: 0.8267534382390278
Energy: 0.93835681580255
Energy: 0.8452834047036603
Energy: 0.812410877988064
Energy: 0.8452834047027087
Energy: 0.877520665121985
Energy: 0.8987398804309777
Energy: 0.8543457040325316
Energy: 0.8987398804300262
Energy: 0.7774964106012499
Energy: 0.8748583862083436
Energy: 0.9057847241191477
Energy: 0.8748583862092737
Energy: 0.8594684010657635
Energy: 0.8211835972842559
Energy: 0.8974437984081727
Energy: 0.8211835972823526
Energy: 0.9387495630164151
Energy: 0.8737123805390931
Energy: 0.7733308301509639
Energy: 0.8737123805400445
Energy: 0.8924651002677297
Energy: 0.8391803254507112
Energy: 0.8093492787157981
Energy: 0.8391803254507112
Energy: 0.8420084211743596
Energy: 0.9177672535376996
Energy: 0.9663149176469216
Energy: 0.9177672535367478
Energy: 0.8123361767796099
Energy: 0.7804373828364404
Energy: 0.8595740579328116
Energy: 0.7804373828383436
Energy: 1.3166319504891666
Energy: 0.9195289531064971
Energy: 0.7758864646146832
Energy: 0.9195289531055454
Energy: 0.8908746296245498
Energy: 0.8093082878844695
Energy: 0.787163892062203
Energy: 0.8093082878844695
Energy: 0.8503412720199071
Energy: 0.9174539979727009
Energy: 0.9659817207486082
Energy: 0.917453997971771
Energy: 0.8157762786943777
Energy: 0.7838196775515774
Energy: 0.9001692861899557
Energy: 0.7838196775515774
Energy: 1.0225157513227692
Energy: 0.8740506463572566
Energy: 0.7762239141397461
Energy: 0.8740506463591599
Energy: 0.9116366352051906
Energy: 0.8348367912869714
Energy: 0.8217196954397311
Energy: 0.8348367912850684
Energy: 0.7809795634037646
Energy: 0.8740771398749753
Energy: 0.9052570682316041
Energy: 0.8740771398759268
Energy: 0.8323217620895031
Energy: 0.824089275274394
Energy: 0.8963443877149191
Energy: 0.824089275274394
Energy: 0.9384685924724305
Energy: 0.8448947255814792
Energy: 0.8144954991814263
Energy: 0.8448947255814792
Energy: 0.8949379576533456
Energy: 0.8275508426730462
Energy: 0.8330957555469988
Energy: 0.8275508426720947
Energy: 0.7905296619809523
Energy: 0.8449980809158631
Energy: 0.8580052938627701
Energy: 0.8449980809149116
Energy: 0.8535903402664506
Energy: 0.8277157245395796
Energy: 0.8725684571151308
Energy: 0.8277157245386281
Energy: 0.8705594810178788
Energy: 0.8294638299011897
Energy: 0.8078104325833975
Energy: 0.8294638299021413

minimum gb energy = 0.7733308301509639 eV
minimum distance =  2.27044623647045 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01486322464692405
Energy: 0.0154044975059577
Energy: 1.4219049152760166
Energy: 0.015404497505226173
Energy: 0.01541062553747156
Energy: 0.9459054943972449
Energy: 0.015412457713053999
Energy: 0.9459054943972449
Energy: 1.4219049152731311
Energy: 0.015404497506648589
Energy: 0.014863224646233164
Energy: 0.01540449750453529
Energy: 0.01540930392878845
Energy: 0.9459054943965539
Energy: 0.01541619921050991
Energy: 0.9459054943965539
Energy: 0.01486322464692405
Energy: 0.015404497505226173
Energy: 1.421904915274594
Energy: 0.0154044975059577
Energy: 0.015414210769701
Energy: 0.9459054943972449
Energy: 0.015412026556034736
Energy: 0.9459054943972449

minimum gb energy = 0.014863224646233164 eV
minimum distance =  2.34920720661693 Angstroms
sigma value = 1