Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.628442171216013
cohesive_energy=4.196040163280591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.62269906279264e-21, 2.4330974799250796e-20, 8.642829699748619e-20, 1.80751159141344e-19, 2.77227827334288e-19, 3.5886513554312403e-19, 4.2395516347600793e-19, 4.75567681563684e-19, 5.16791686356504e-19, 5.49918290441088e-19, 5.766041444569919e-19, 5.98103752708638e-19, 6.15394442942766e-19, 6.292500664735979e-19, 6.40290665658492e-19, 6.49011313077354e-19, 6.55814155065318e-19, 6.61029240008988e-19, 6.64938550995948e-19, 6.677872210511999e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.6672978447276e-19, 6.630383695080239e-19, 6.580203522903359e-19, 6.51384136672308e-19, 6.42741995908512e-19, 6.315812334760679e-19, 6.172049025391859e-19, 5.9866932106044e-19, 5.747007586158e-19, 5.43605714503128e-19, 5.031539588478959e-19, 4.50440745412662e-19, 3.8167372210474793e-19, 2.9187011959241397e-19, 1.7442095926040998e-19, 2.0511225486131397e-20, -1.81675615059162e-19, -4.48450842033234e-19, -8.04486533640714e-19, -1.292338103457276e-18, -1.98882992108322e-18]
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: 0.0160626386978016
Energy: -4.6352720191576795
Energy: -2.96122483964304
Energy: 0.01629529326660295
Energy: -4.6352720191576795
Energy: 1.370023900377293
Energy: -3.241196495241024
Energy: 1.370023899996379
Energy: -3.02498138709033
Energy: -3.2411964986971262
Energy: 0.0160626386978016
Energy: -4.635272019156469
Energy: 0.016295293267225525
Energy: 1.37002390000551
Energy: -4.635272019156469
Energy: 1.3700239003760475

minimum gb energy = -4.6352720191576795 eV
minimum distance =  2.55565631312435 Angstroms
sigma value = 1


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

Energy: -3.0877658188292667
Energy: -2.8599744645644933
Energy: -2.99417834942688
Energy: -3.186025877702983
Energy: -2.6356211718765117
Energy: -2.878079236906159
Energy: -2.77857921225508
Energy: -2.769067733166642
Energy: -2.668732996374902
Energy: -2.6510797118769753
Energy: -3.226415381353553
Energy: -2.715490362691753
Energy: -2.9513600379096268
Energy: -3.0779653672535963
Energy: -2.7837934741635655
Energy: -3.1295642876356715
Energy: -3.2523729466601727
Energy: -3.1390692703445455
Energy: -3.01747135042203
Energy: -3.1961636052899194
Energy: -2.796042416662241
Energy: -2.9483904776956593
Energy: -2.886640497975567
Energy: -3.006573160807047
Energy: -2.9098138271654013
Energy: -3.171730187156253
Energy: -3.120762901213733
Energy: -3.12725075597841
Energy: -3.031272619263114
Energy: -3.0132027015134306
Energy: -2.9563633893777244
Energy: -2.9936105380932156
Energy: -2.8883942420491273
Energy: -3.3743987057414615
Energy: -2.7907065496355936
Energy: -3.401389335545624
Energy: -3.0917393349117974
Energy: -3.308548971415338
Energy: -2.852255521863229
Energy: -3.3085694817603795
Energy: -2.7663353877410404
Energy: -3.268076923070051
Energy: -2.9745230259718465
Energy: -3.26807692224217
Energy: -2.9401718218060493
Energy: -3.1500230855231286
Energy: -3.0479752273275422
Energy: -3.150176840252435
Energy: -2.9344084706052076
Energy: -3.1169929211482073
Energy: -3.2086362464606912
Energy: -3.113054768729895
Energy: -3.0478877385333183
Energy: -3.198190997065574
Energy: -3.1849249395757013
Energy: -3.171846652145739
Energy: -3.226464417376756
Energy: -3.204218250881918
Energy: -3.1140539939585055
Energy: -3.111145177071545
Energy: -3.310738432735059
Energy: -3.0650900565769823
Energy: -2.850634915832151
Energy: -3.230574862062663
Energy: -2.8817395177330813
Energy: -2.6393187710046893
Energy: -3.0153185723299014
Energy: -2.811587956238725
Energy: -2.7798356416396066
Energy: -2.739702769515563
Energy: -2.86885487426197
Energy: -2.7764302283356024
Energy: -3.334413105177352
Energy: -2.778897565224055
Energy: -2.827306096841636
Energy: -2.6107581493628373
Energy: -2.9353428513272544
Energy: -2.698158870837539
Energy: -2.9231242138744973
Energy: -2.769346368580959
Energy: -3.1599281166640556
Energy: -3.165507101776936
Energy: -3.128565961334394
Energy: -3.247969171177136
Energy: -2.990880999984407
Energy: -3.112672289264825
Energy: -2.834160735365254
Energy: -3.117415904512291
Energy: -3.2076489317208914
Energy: -3.1526943683349895
Energy: -2.9525270315040246
Energy: -3.078790370992091
Energy: -3.0151890688638945
Energy: -3.1904357836617105
Energy: -3.065342764912175
Energy: -3.1325533778042662
Energy: -2.9248728479347146
Energy: -3.3290237388618906
Energy: -3.0167399203230265
Energy: -3.3284922335085882
Energy: -2.9452360636947605
Energy: -3.437969593775917
Energy: -2.8996714058875486
Energy: -3.37377962493884
Energy: -3.0327380705358546
Energy: -3.325118663313748
Energy: -2.9742796013219257
Energy: -3.325110756775302
Energy: -3.1205843941783225
Energy: -3.1780601217122864
Energy: -2.892073108422696
Energy: -3.178060122782539
Energy: -3.0796127339353085
Energy: -3.1941754026394773
Energy: -3.0150585595527364
Energy: -3.2026204572378694
Energy: -3.217988495112923
Energy: -2.9637697803287097
Energy: -3.072752058798139
Energy: -2.9635980079198245
Energy: -3.209361093628477
Energy: -3.064575363807129
Energy: -3.268830330070311
Energy: -3.0158577026657762
Energy: -2.903523089719395
Energy: -3.027687380922735
Energy: -3.159954926259655
Energy: -3.076105104752159
Energy: -2.9249451334381797
Energy: -2.582597971025664
Energy: -2.962388563734656
Energy: -2.697630255673588

minimum gb energy = -3.437969593775917 eV
minimum distance =  2.2307485313926 Angstroms
sigma value = 1


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

Energy: -1.9807410441893605
Energy: -2.1824041352590804
Energy: -1.9089000011491999
Energy: -2.2425055806309624
Energy: -2.293404296285836
Energy: -1.9583786976485262
Energy: -2.2913614041387773
Energy: -1.9097051321470755
Energy: -1.9551408934417784
Energy: -1.7539056765473768
Energy: -2.296944116109848
Energy: -1.8196578527921665
Energy: -1.945087298063745
Energy: -2.376297027322836
Energy: -1.985788416652454
Energy: -2.199082354511276
Energy: -2.1175850651821184
Energy: -2.222921638732777
Energy: -2.1160348650175513
Energy: -2.205582977795854
Energy: -1.8387609593093168
Energy: -2.1526592624481276
Energy: -2.1556505421864203
Energy: -2.189620693690687
Energy: -2.1153826344874647
Energy: -2.2087035252940055
Energy: -2.153813976356169
Energy: -2.216771025534231
Energy: -2.084370314716131
Energy: -2.2590252573595833
Energy: -2.2937520380874794
Energy: -2.11608177020592
Energy: -2.13888032896404
Energy: -2.292421378167668
Energy: -2.3953279918990016
Energy: -2.1790522348573913
Energy: -2.272564511431617
Energy: -2.337494982059033
Energy: -2.2085119128095085
Energy: -2.380527244183257
Energy: -2.253759028313086
Energy: -2.2384461328030523
Energy: -2.0386550255868334
Energy: -2.3364687386726612
Energy: -2.102940983609226
Energy: -2.212562742417627
Energy: -2.135002998913139
Energy: -2.267824951855187
Energy: -2.1635902104268165
Energy: -2.2936522085072957
Energy: -2.193459480630357
Energy: -2.2620567152497473
Energy: -2.204744686361242
Energy: -2.173751613004988
Energy: -2.318220153377582
Energy: -2.2992120559928417
Energy: -2.0778161092421694
Energy: -1.8807714665272541
Energy: -1.9326439924652243
Energy: -1.8444018823729902
Energy: -1.9642146605382822
Energy: -1.9372576387234235
Energy: -2.4270011263308797
Energy: -1.790189571267946
Energy: -2.0884259301423618
Energy: -1.8377091052312902
Energy: -2.347371941077122
Energy: -1.8747317974482245
Energy: -1.868858385450374
Energy: -2.0591710315698424
Energy: -1.8666332192201425
Energy: -1.9365510361604754
Energy: -2.236282937327624
Energy: -2.148462690755725
Energy: -2.243656439288894
Energy: -2.2330964208561186
Energy: -1.8876937482806058
Energy: -2.2031810648403582
Energy: -2.146687983886894
Energy: -2.0851913322112052
Energy: -2.0959727459397994
Energy: -2.1698710340101357
Energy: -2.106482436867531
Energy: -2.1950290172739595
Energy: -1.9966986801016893
Energy: -2.165221247281444
Energy: -2.327238087649581
Energy: -2.2377122464908514
Energy: -2.0534087633521247
Energy: -2.363545389066885
Energy: -2.1924521044940977
Energy: -2.34130005279182
Energy: -2.1939226403492427
Energy: -2.1077727209339736
Energy: -2.053477031508069
Energy: -2.3087608149208663
Energy: -2.209544984296892
Energy: -2.1691629646968016
Energy: -2.031934661070914
Energy: -2.163262127845872
Energy: 0.5963643894336053
Energy: -2.160567092327171
Energy: -2.228854256551609
Energy: -2.0986275104670797
Energy: -2.134202499626439
Energy: -2.2021010786053377
Energy: -2.2301387120628915
Energy: -2.084290139626357
Energy: -2.202534725698703
Energy: -2.234809746943498
Energy: -2.3930572247249873
Energy: -2.2607653796003553
Energy: -2.140859165653404
Energy: -1.8093756605200189
Energy: -2.0336607786111998
Energy: -1.9322651678893987

minimum gb energy = -2.4270011263308797 eV
minimum distance =  2.24907992775805 Angstroms
sigma value = 25


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

Energy: -0.9596190377078215
Energy: -1.211766180312761
Energy: -1.3108680549593508
Energy: -1.1760266276057831
Energy: -1.230173546742447
Energy: -0.8904857228883652
Energy: -1.2747974941740037
Energy: -0.9857872019130667
Energy: -1.3624989556494809
Energy: -1.4271444400285027
Energy: -1.1744719589764534
Energy: -1.452014977071179
Energy: -1.408271130069192
Energy: -1.146041971937004
Energy: -1.442666570226736
Energy: -1.0528736775354068
Energy: -0.9738217958936041
Energy: -1.121859062172614
Energy: -1.072261195569582
Energy: -1.0293065342367596
Energy: -1.3913013450519558
Energy: -1.0501480278047617
Energy: -1.3142162020527188
Energy: -1.0306264974336914
Energy: -1.1867240552220597
Energy: -1.009021492945962
Energy: -1.0922747215125785
Energy: -1.0686271782511942
Energy: -1.2984386763933915
Energy: -0.9571239936498677
Energy: -1.3857200112943482
Energy: -1.0511560200519792
Energy: -1.1697580013457214
Energy: -1.099699824567104
Energy: -1.3201419741504958
Energy: -1.075040297059773
Energy: -1.2831187929614227
Energy: -1.1170400022849647
Energy: -1.1584528623624573
Energy: -1.1234645720302783
Energy: -1.2625524956153307
Energy: -1.167721116737208
Energy: -1.02607315939735
Energy: -1.2208305623251732
Energy: -1.381067291000812
Energy: -1.1157758302988094
Energy: -1.2281655752133462
Energy: -1.1891881957325432
Energy: -1.3033370758887153
Energy: -1.3015109758409844
Energy: 0.6161503241790005
Energy: -1.3007767798342016
Energy: -1.376365774539375
Energy: -1.280920817916247
Energy: -0.9657911102831966
Energy: -1.3946435360390996
Energy: -1.1475851021522538
Energy: -1.3010054003692375
Energy: -1.3296870883972067
Energy: -1.4520641524080635
Energy: -0.9624233021583043
Energy: -1.2927056047613446
Energy: -1.4174058060959902
Energy: -1.2753279199523873
Energy: -1.1797241157066907
Energy: -1.0690073605369006
Energy: -1.106569095170806
Energy: -1.3123679060161588
Energy: -0.9776861056267476
Energy: -1.1610672601610976
Energy: -1.2494748414077022
Energy: -1.1149085660325078
Energy: -1.129348299523197
Energy: -1.057556048723371
Energy: -1.0915388367761196
Energy: -1.0327575832031446
Energy: -1.2562539432172146
Energy: -1.1470628950520547
Energy: -1.1711319291045306
Energy: -0.9892145246932815
Energy: -1.1265582503104377
Energy: -1.127792552314522
Energy: -1.1344727857783847
Energy: -1.2591470235505238
Energy: -1.204753063461254
Energy: -1.166224235016674
Energy: -1.4752818376932912
Energy: -1.0622953361237988
Energy: -1.0465071103478072
Energy: -1.1877481269141776
Energy: -1.2662715160222633
Energy: -1.2737286417128246
Energy: -1.2535257766301793
Energy: -1.0940312588954393
Energy: -1.2070681390560258
Energy: -1.1518191143622456
Energy: 0.6119809650323321
Energy: -1.4505889884232268
Energy: -1.062646001152292
Energy: -1.3958329653006054

minimum gb energy = -1.4752818376932912 eV
minimum distance =  2.23483172778701 Angstroms
sigma value = 9


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

Energy: 0.10761471386755267
Energy: -0.4274135599137503
Energy: -0.423964845748097
Energy: -0.29498966768630214
Energy: -0.3658538069213427
Energy: 0.8490056060658494
Energy: -0.4163688486682479
Energy: 0.8490056060658494
Energy: -0.38750565949845006
Energy: -0.35723837780247497
Energy: 0.6704422120975418
Energy: -0.3953183018261302
Energy: -0.3740522906442881
Energy: -0.2157652793715663
Energy: -0.1324374821861162
Energy: -0.17239384058205384
Energy: -0.01333009576866433
Energy: -0.29270551667775957
Energy: -0.06708439950542562
Energy: -0.11077234566634042
Energy: -0.2634142859815013
Energy: -0.183186520614258
Energy: 0.806600144625821
Energy: -0.177871986519061
Energy: 0.9706488081374168
Energy: 1.3288961505795167
Energy: -0.04886993632835191
Energy: 1.328896150578323
Energy: -0.09854733353839924
Energy: 0.09413351549035485
Energy: -0.048163144969906674
Energy: 0.048178433128123956
Energy: -0.09611587804586269
Energy: -0.2622445450038681
Energy: 0.7796995375262418
Energy: -0.16012242992578937
Energy: -0.040395399252973904
Energy: -0.24806879686507374
Energy: 0.7778161373205912
Energy: -0.17750061112378013
Energy: 0.7549089671725732
Energy: -0.4398485251674235
Energy: -0.45111776007641413
Energy: -0.5018287979673431
Energy: 0.7063406313171015
Energy: -0.3909594400851348
Energy: -0.3358680575986051
Energy: -0.44123439476372944
Energy: -0.26523031419712184
Energy: -0.3827809758540137
Energy: 0.6771080019409471
Energy: -0.5449743427564324
Energy: -0.5383576896235894
Energy: -0.37932581136836885
Energy: 0.6762976204263031
Energy: -0.4417422227383729
Energy: 0.893786082219249
Energy: -0.13075552972413984
Energy: -0.18122394526580746
Energy: -0.23638718291874378
Energy: -0.06773804275665148
Energy: -0.30910218098885434
Energy: -0.10800342058886298
Energy: -0.12959067797733326
Energy: 0.9749822539179662
Energy: 1.1426876873888543
Energy: -0.0783021191359121
Energy: 1.1426876873888543
Energy: 0.9749176936743239
Energy: -0.03662603893551975
Energy: 0.03122732429346283
Energy: -0.0260893283429545
Energy: -0.13988779798527598
Energy: -0.16073687513866694
Energy: 0.7837483241490804
Energy: -0.10231362717972872
Energy: -0.13602676354696192
Energy: -0.254201331198271
Energy: -0.1671890632304187
Energy: -0.09033299643805902
Energy: 0.7548590320487653
Energy: -0.3358678478870417
Energy: 0.6298040163499161
Energy: -0.4987052417788615

minimum gb energy = -0.5449743427564324 eV
minimum distance =  2.25979951857143 Angstroms
sigma value = 25


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

Energy: 1.0692258951396987
Energy: 0.866864085725451
Energy: 0.9511716328464597
Energy: 0.9807042290992546
Energy: 0.8850691281147132
Energy: 1.05007468156826
Energy: 0.8963604160459475
Energy: 1.0500746815505766
Energy: 0.8967350648761352
Energy: 0.8511732971020336
Energy: 0.9036500998144805
Energy: 0.8511732940545728
Energy: 0.8920333519833008
Energy: 1.0657067876675874
Energy: 0.9886086770171857
Energy: 1.0657067878077804
Energy: 1.005305167172557
Energy: 1.2528991892134724
Energy: 0.9965130767793315
Energy: 1.2528991892134724
Energy: 0.9825809601876423
Energy: 1.0050056134431307
Energy: 1.0104366311880104
Energy: 1.00500561342689
Energy: 1.0098018738602055
Energy: 1.2540366264124716
Energy: 0.9883212707347981
Energy: 1.2540366264124716
Energy: 1.0104676532406807
Energy: 1.0567627001408624
Energy: 1.0075136767266386
Energy: 1.0567627026643962
Energy: 0.8753436650863009
Energy: 0.8643878583881237
Energy: 0.7744110613204798
Energy: 0.8643878526459319
Energy: 0.8638404935693593
Energy: 0.8666884660061647
Energy: 0.7782231083019433
Energy: 0.8666884653095974
Energy: 0.9064071153969441
Energy: 0.8913594196280574
Energy: 0.8967362614124658
Energy: 0.891359412081012
Energy: 0.9115972734087244
Energy: 0.8713048236550033
Energy: 0.8689005806939405
Energy: 0.871304823598933
Energy: 1.0074000609929825
Energy: 1.2266109524805409
Energy: 1.0128721578749016
Energy: 1.2266109524908422
Energy: 0.9984264866209535
Energy: 0.986054507274428
Energy: 0.8946218125778521
Energy: 0.9860545072670457
Energy: 0.9839155529463696
Energy: 1.2542274596437664
Energy: 1.0095132540834857
Energy: 1.2542274596467193
Energy: 1.011160418527513
Energy: 1.058784814876221
Energy: 1.0104714887869677
Energy: 1.0587848154576947
Energy: 0.7815985673539068
Energy: 0.8565806988780963
Energy: 0.8746163681772049
Energy: 0.8565806963146657

minimum gb energy = 0.7744110613204798 eV
minimum distance =  2.32527210027797 Angstroms
sigma value = 17


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

Energy: 0.926388360648617
Energy: 0.6825837959145106
Energy: 0.9197286745232572
Energy: 0.8412109996079006
Energy: 0.7285076261718861
Energy: 0.9498725058127887
Energy: 0.7701605649194433
Energy: 0.9498725058646312
Energy: 0.9030344334436301
Energy: 0.9431537844116769
Energy: 0.9017642837145651
Energy: 0.9431537845520779
Energy: 0.9425304975027871
Energy: 0.9316056723272632
Energy: 0.9081387694150882
Energy: 0.9316057645921588
Energy: 0.9527720326337074
Energy: 1.0092188007507834
Energy: 0.9573943145536143
Energy: 1.0092188007499472
Energy: 0.9517434560656193
Energy: 1.0141078469684905
Energy: 0.9416969950983919
Energy: 1.0141078469693265
Energy: 0.9498080265897224
Energy: 0.9490366177602606
Energy: 0.9843092761822411
Energy: 0.9490366177602606
Energy: 0.8482807224281709
Energy: 0.97036403436225
Energy: 0.8313960516834794
Energy: 0.9703640348879744
Energy: 0.8395219228638183
Energy: 0.7882232308802696
Energy: 0.9478883325775527
Energy: 0.7882232309128803
Energy: 0.8915547227560539
Energy: 0.8919314063871093
Energy: 0.8322924789426759
Energy: 0.8919314063210518
Energy: 0.968813458899132
Energy: 0.9407718041410946
Energy: 0.9487160528005459
Energy: 0.9407718041402585
Energy: 0.8795784780078514
Energy: 0.9229965995179441
Energy: 0.9643213800874177
Energy: 0.9229965995187801
Energy: 0.9448570098308032
Energy: 0.8355993861160569
Energy: 0.9121189357745503
Energy: 0.8355993877241303
Energy: 0.9203195318668382
Energy: 0.9246405207677383
Energy: 0.9449445899865134
Energy: 0.9246405207685743
Energy: 0.8967790817408594
Energy: 0.8835788527202234
Energy: 0.8753645874399462
Energy: 0.8835788527611959
Energy: 0.8366333694383215
Energy: 0.8876735403417295
Energy: 0.8762412356506678
Energy: 0.8876735403358763
Energy: 0.9024220562761969
Energy: 0.981009650888132
Energy: 0.8658406979350437
Energy: 0.9810096508889681
Energy: 0.908414895028947
Energy: 0.9805403583960819
Energy: 0.9860239776009321
Energy: 0.980540358396918
Energy: 0.9507574902306466
Energy: 1.0173687947528551
Energy: 0.9352968988644933
Energy: 1.0173687947536914
Energy: 0.9603819353096402
Energy: 0.9875651408346707
Energy: 0.9477701578519298
Energy: 0.9875651408271452
Energy: 0.9524062487481614
Energy: 0.9384022712096565
Energy: 0.849152750917724
Energy: 0.9384022712096565
Energy: 0.8985610724602995
Energy: 0.861723977604841
Energy: 0.9599675539332365
Energy: 0.8617239776056771
Energy: 0.8325224851629673
Energy: 0.890105627961028
Energy: 0.7921757501395954
Energy: 0.890105627999492
Energy: 0.9493275011198301
Energy: 0.8756208812506819
Energy: 0.8902516013095857
Energy: 0.8756208590459721
Energy: 0.9314954351286611
Energy: 1.0448834161546334
Energy: 0.8808902781109165
Energy: 1.0448834161537972
Energy: 0.9733323952818097
Energy: 0.9224783804142772
Energy: 0.9585798609638041
Energy: 0.9224783804142772
Energy: 0.9497152626845413
Energy: 0.9341675623958373
Energy: 0.926849357756873
Energy: 0.9341675624827611
Energy: 0.9552158660473925
Energy: 0.92675038363239
Energy: 0.930369642914795
Energy: 0.9267503836315538
Energy: 0.8316475528095719
Energy: 1.0336686439972316
Energy: 0.9532835045168377
Energy: 1.0336685081402746
Energy: 0.8782137446954049
Energy: 0.8836178162913072
Energy: 0.8987287995681265
Energy: 0.8836178169975308

minimum gb energy = 0.6825837959145106 eV
minimum distance =  2.29775800198831 Angstroms
sigma value = 53


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

Energy: 1.6064548224295696
Energy: 1.01890447956047
Energy: 1.1232153985530848
Energy: 1.0286329971405967
Energy: 1.0189818022740913
Energy: 1.0550841116615866
Energy: 1.0192623714167877
Energy: 1.0550841116750618
Energy: 1.021290833107407
Energy: 1.0222035284413526
Energy: 1.0873169998985015
Energy: 1.0222035284317277
Energy: 1.0197135087678053
Energy: 1.1376866257309954
Energy: 1.0214298961621795
Energy: 1.1376866257309954
Energy: 1.0148601367908474
Energy: 1.1382572360245315
Energy: 1.0301812313017684
Energy: 1.1382572360283814
Energy: 1.021807371615543
Energy: 1.1376719940295867
Energy: 1.0280855395315232
Energy: 1.1376719940276618
Energy: 0.9944673001436101
Energy: 1.0192564510304578
Energy: 1.0209314421505777
Energy: 1.0192564464875138
Energy: 0.9976592993031826
Energy: 1.0545574483494624
Energy: 1.0218056563030387
Energy: 1.0545574483417623
Energy: 1.022648500960926
Energy: 1.0208464986792884
Energy: 1.0869347363358095
Energy: 1.0208464986927637
Energy: 1.053512981212075
Energy: 1.0545944389428885
Energy: 1.019090681999242
Energy: 1.0545944389371136
Energy: 1.0610423952597046
Energy: 1.137670735200673
Energy: 1.0291659241859283
Energy: 1.137670735200673
Energy: 1.0230194781030177
Energy: 1.1047723121984332
Energy: 1.1060430798572591
Energy: 1.1047723121945832
Energy: 0.9940094989074616
Energy: 1.0553476073723875
Energy: 1.0577609750652142
Energy: 1.0553476073954877

minimum gb energy = 0.9940094989074616 eV
minimum distance =  2.32359031174125 Angstroms
sigma value = 9


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

Energy: 1.0064070909125389
Energy: 0.9354107261957288
Energy: 1.0888310520381008
Energy: 0.9682321137276976
Energy: 0.5127985255420466
Energy: 0.38826146416276996
Energy: 1.0028331491244162
Energy: 0.38826146415564516
Energy: 0.9691858177296486
Energy: 0.9205355139608385
Energy: 0.9319485175747628
Energy: 0.9205355139608385
Energy: 0.9445050943268855
Energy: 0.8995741827111574
Energy: 1.013067981482351
Energy: 0.8995741827118698
Energy: 0.8718645848689501
Energy: 0.8987694592656664
Energy: 0.9374907128982746
Energy: 0.8987694592678039
Energy: 0.7333296438876379
Energy: 0.5429752590254207
Energy: 0.9621397143843771
Energy: 0.5429752590175835
Energy: 1.0280170683874368
Energy: 0.92848319288306
Energy: 1.0073087353405212
Energy: 0.928483192881635
Energy: 1.0310703705773872
Energy: 0.9487098221608715
Energy: 0.9774616195092272
Energy: 0.9487098221601591
Energy: 0.9681108788258542
Energy: 1.068623381852428
Energy: 0.9634405647337297
Energy: 1.0686233818367534
Energy: 1.1590671641038826
Energy: 1.292459908714431
Energy: 0.9693716324712204
Energy: 1.292459908696619
Energy: 0.9908289012378869
Energy: 0.9748208207669228
Energy: 1.0369966765873402
Energy: 0.9748208207669228
Energy: 1.0029424134234792
Energy: 0.9164760843605492
Energy: 0.9372934956596904
Energy: 0.9164760843591242
Energy: 0.9961441180195363
Energy: 0.9072048091427837
Energy: 0.8369646873365858
Energy: 0.907204809142071
Energy: 0.9953251497623303
Energy: 0.8765769119797765
Energy: 0.9485252247581477
Energy: 0.8765769119264054
Energy: 0.9720690123647728
Energy: 0.9102158782576366
Energy: 0.9481491094956706
Energy: 0.9102158782547867
Energy: 0.966416429648898
Energy: 0.9897889593713164
Energy: 0.9530643714086535
Energy: 0.9897889593698915
Energy: 0.9595751176296134
Energy: 0.4824125721451115
Energy: 0.7707075198042913
Energy: 0.4824125749759866
Energy: 0.9380331044719196
Energy: 0.8673509408069907
Energy: 1.004728346815009
Energy: 0.8673509390643307
Energy: 0.9896448835506165
Energy: 0.9321075982891022
Energy: 0.6168861913223059
Energy: 0.9321075982883896
Energy: 0.9125219774321991
Energy: 0.9230686652849376
Energy: 0.9673000286219803
Energy: 0.92306866528565
Energy: 1.0092135156012545
Energy: 0.8812000275781995
Energy: 0.9298509949355784
Energy: 0.881200027577487
Energy: 0.9531994340816426
Energy: 0.8452718935177294
Energy: 0.9906771908307594
Energy: 0.8452718935191544
Energy: 0.9359451261875521
Energy: 0.69367016274663
Energy: 0.8289171518518
Energy: 0.6936701627579649
Energy: 1.0112830118693177
Energy: 0.9346314011827124
Energy: 1.0248488170499634
Energy: 0.9346314011819999
Energy: 0.9761285500692415
Energy: 0.9272134065426568
Energy: 1.0245343295721558
Energy: 0.9272134108590515
Energy: 0.9669302745183057
Energy: 1.0155329625324947
Energy: 0.9644916673948208
Energy: 1.0155329625345673
Energy: 0.9630577739344012
Energy: 1.059986213129937
Energy: 1.159507970588256
Energy: 1.0599862131292241
Energy: 1.0580100331299127
Energy: 0.9742555905478137
Energy: 0.9898180800147148
Energy: 0.9742555905485261
Energy: 0.9242900928491152
Energy: 1.0121741100992547
Energy: 0.9968141281045723
Energy: 1.0121741100978299
Energy: 0.8011371991318721
Energy: 0.9066309329502276
Energy: 1.0035342169396444
Energy: 0.9066309329495151
Energy: 0.9532306876072694
Energy: 0.8910514291712048
Energy: 0.9930833008016106
Energy: 0.8910514291690674
Energy: 0.9547942510146116
Energy: 0.9175126654176275
Energy: 0.9702311745119394
Energy: 0.9175126654204773
Energy: 0.9457397869545736
Energy: 1.1888088638464978
Energy: 0.9756530159780863
Energy: 1.188808863849348
Energy: 0.7928440262556717
Energy: 0.496823486442964
Energy: 0.9776513356760769
Energy: 0.49682348645222624
Energy: 1.0075042010781747
Energy: 0.8907030973868042
Energy: 0.9481387832154758
Energy: 0.8907030973875167

minimum gb energy = 0.38826146415564516 eV
minimum distance =  2.28878341609367 Angstroms
sigma value = 73


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

Energy: 0.98524387816649
Energy: 0.002967376855159179
Energy: 0.3778682847467669
Energy: 0.9063017480970796
Energy: 0.5091843005049159
Energy: 0.959671952039277
Energy: 0.8698034893762736
Energy: 0.9596719517613256
Energy: 0.8490619697447485
Energy: 0.8315859176015175
Energy: 0.8939740603981657
Energy: 0.8315859187799923
Energy: -0.40634596242668997
Energy: -0.5349600283491724
Energy: 0.903941772333396
Energy: -0.4738360065754573
Energy: -0.4161617698606179
Energy: -0.499316721095533
Energy: 0.5455227238462937
Energy: -0.4991002881809033
Energy: -0.44581849529330475
Energy: 0.45774806271859775
Energy: 0.5171572400067038
Energy: 0.4577490950890114
Energy: 0.883306302002437
Energy: 0.9016517840588744
Energy: 0.9373214428895447
Energy: 0.9016517846385161
Energy: 0.9217058044010363
Energy: 0.9213328467986657
Energy: 0.9242019742737834
Energy: 0.9213328467308669
Energy: 0.9223998804228857
Energy: 0.27214085042088787
Energy: 0.8276973813369711
Energy: 0.2842386270110665
Energy: 0.24234175429025717
Energy: 1.2397412213981933
Energy: 0.9107736907081039
Energy: 1.23974122138915
Energy: 0.924684651687988
Energy: 0.9208690529159157
Energy: 0.9828874597403153
Energy: 0.9208690526718507
Energy: 0.9501846487688256
Energy: 0.9121242240539886
Energy: 0.9634624141089599
Energy: 0.912124224055119
Energy: 0.9049745116798429
Energy: 1.1368736245437108
Energy: 0.9399856272927083
Energy: 1.1368736245459714
Energy: 0.9226769058987518
Energy: 0.8803508522096432
Energy: 0.9625482638600313
Energy: 0.8803508528819268
Energy: 0.3681582721647194
Energy: 0.9019885425325452
Energy: 0.9068415456693849
Energy: 0.9019885429540072
Energy: 0.5403365365114617
Energy: 0.9025612323239985
Energy: 0.2321376056322649
Energy: 0.902561232888945
Energy: 0.594376860254826
Energy: 0.9933231740143559
Energy: 0.9116649699473206
Energy: 0.9933231740832851
Energy: 0.31693560448796293
Energy: 0.37059488856683503
Energy: 0.87681617351832
Energy: 0.3705948871928769
Energy: 0.3672001772680614
Energy: 0.872396976287318
Energy: 1.0067642951346916
Energy: 0.8723969765573569
Energy: 0.4038243841605674
Energy: 0.22200875538602277
Energy: 0.8578797616451613
Energy: 0.22200876010225973
Energy: 0.3872012261695238
Energy: 0.4121801033556258
Energy: 0.8898914857798628
Energy: 0.41218025495157756
Energy: 0.9717273616181917
Energy: 0.8195759659095782
Energy: 0.88934528810085
Energy: 0.819457097298479

minimum gb energy = -0.5349600283491724 eV
minimum distance =  2.30798004413367 Angstroms
sigma value = 7


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

Energy: 0.20152552635291282
Energy: 0.8004058385183032
Energy: 1.0261066457581747
Energy: 0.8899077992337576
Energy: 0.7160825505805998
Energy: 0.9769189100836231
Energy: 0.7847301055654752
Energy: 0.9769189100820246
Energy: 0.8171975180781441
Energy: 0.8151890886000854
Energy: 0.9180766601311687
Energy: 0.8151890888054012
Energy: 0.9036868928201832
Energy: 0.852033319503642
Energy: 0.9938741952956
Energy: 0.8520333195412101
Energy: 0.7977710356128932
Energy: 0.77381765460555
Energy: 0.9444081904649672
Energy: 0.7738176546127076
Energy: 0.8313028953306971
Energy: 0.7313907515033514
Energy: 0.9468342331997308
Energy: 0.7313907476052213
Energy: 0.9328633080901557
Energy: 0.8047584354770998
Energy: 0.695332669864815
Energy: 0.804758435467508
Energy: 1.0055031449732585
Energy: 0.733434835837515
Energy: 0.9118850170379053
Energy: 0.7334348358063415
Energy: 0.9625095046947274
Energy: 0.8441849133221412
Energy: 0.864765909082307
Energy: 0.8441849133261379
Energy: 0.7487099015958828
Energy: 0.7053210388141616
Energy: 0.7332541575249205
Energy: 0.7053210396994066
Energy: 0.805446507921422
Energy: 0.870781549910904
Energy: 0.7457741697403618
Energy: 0.8707815499125026
Energy: 0.8728671186307457
Energy: 0.8341312148875641
Energy: 1.021152100998082
Energy: 0.8341312149283294
Energy: 0.870291941016756
Energy: 0.8144208648745896
Energy: 0.7004446082617065
Energy: 0.8144208638902655
Energy: 0.885595151531606
Energy: 0.9487089116160641
Energy: 0.9066702842551772
Energy: 0.9487089116160641
Energy: 0.7453691453687183
Energy: 0.8151197346753175
Energy: 0.8920260242863505
Energy: 0.8151197346633277
Energy: 1.0892739069136952
Energy: 0.8000273603304705
Energy: 0.8535086654935699
Energy: 0.8000273603296711
Energy: 1.0798795276828441
Energy: 0.8681497338615617
Energy: 0.8123813715161435
Energy: 0.8681497338767487
Energy: 0.7743230537806952
Energy: 0.6893800959872854
Energy: 0.9078148303756728
Energy: 0.6893800959984758
Energy: 0.8818018529332343
Energy: 0.8425101583015113
Energy: 0.974011482664657
Energy: 0.8425101583230566
Energy: 0.8763075508767099
Energy: 0.85576336882753
Energy: 0.8408416980148362
Energy: 0.8557633688235334
Energy: 0.6785837909197908
Energy: 0.815104825386501
Energy: 0.9388697411303707
Energy: 0.8151048254639984
Energy: 0.9959597286036059
Energy: 0.7534284551679726
Energy: 0.7670383871568198
Energy: 0.7534284551639759
Energy: 0.9893473451800983
Energy: 0.7601563742380627
Energy: 0.7765175490640907
Energy: 0.7601563742356648
Energy: 0.9624547699144047
Energy: 0.8150748148802981
Energy: 0.8938369722953664
Energy: 0.815074814685337
Energy: 0.7723491187792701
Energy: 0.7832199598308591
Energy: 0.8935226477830704
Energy: 0.7832199598300598
Energy: 0.9372846688410461
Energy: 0.9636940270888632
Energy: 0.7000797223609382
Energy: 0.9636940270904618
Energy: 0.8227838398410506
Energy: 0.7605978912693706
Energy: 0.9692032027385379
Energy: 0.7605978912582164
Energy: 0.8348473417375326
Energy: 0.786968975823517
Energy: 0.6313476811270559
Energy: 0.7869689758187576
Energy: 0.7240788907089858
Energy: 0.9327459396288552
Energy: 0.8695952459185886
Energy: 0.9327459396232599
Energy: 0.7905845873165602
Energy: 0.7996961240545692
Energy: 0.906458719591082
Energy: 0.799696123397021
Energy: 1.0862625293572197
Energy: 0.8033663479219278
Energy: 0.8691825853099517
Energy: 0.8033663478692091

minimum gb energy = 0.20152552635291282 eV
minimum distance =  2.2891793665101 Angstroms
sigma value = 29


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

Energy: 1.1697721052236112
Energy: 0.9420147715208826
Energy: 0.8520074518963697
Energy: 0.9138302699591697
Energy: 0.855199374423071
Energy: 0.9673153557217128
Energy: 0.8632359740465279
Energy: 0.9673153557004905
Energy: 0.8702728643549347
Energy: 0.9514730556306563
Energy: 1.0877678732833655
Energy: 0.9514730559977445
Energy: 0.910622827785204
Energy: 0.871170111859568
Energy: 0.8682948740044373
Energy: 0.871170111850875
Energy: 0.868386578755509
Energy: 0.874774040646214
Energy: 0.9053599975858383
Energy: 0.8747740406255486
Energy: 0.8699920534083404
Energy: 0.9592928507812626
Energy: 0.9101764351888089
Energy: 0.9592928507804274
Energy: 0.9213547924708293
Energy: 0.9562266565623261
Energy: 0.8656178179493932
Energy: 0.95622665656477
Energy: 0.86314396805609
Energy: 0.8644483153649855
Energy: 0.9083989523286117
Energy: 0.8644483176872065
Energy: 0.9049180757221646
Energy: 0.8745774048233035
Energy: 0.8647237857749019
Energy: 0.8745774067988853

minimum gb energy = 0.8520074518963697 eV
minimum distance =  2.32189210272334 Angstroms
sigma value = 5


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

Energy: 1.2010098526163477
Energy: 0.5705729850904993
Energy: 0.4840255077984449
Energy: 0.6672718301401795
Energy: 0.7230962127410995
Energy: 0.737998365689792
Energy: 0.9131181659357187
Energy: 0.737998365689792
Energy: 0.9014601712136555
Energy: 0.7657694230026445
Energy: 0.8643552458678245
Energy: 0.7657694230041545
Energy: 0.7121431828614679
Energy: 0.7255453240518612
Energy: 0.846030519666264
Energy: 0.7255453239891918
Energy: 0.8491898900064119
Energy: 0.7032855088832771
Energy: 0.9835131567755978
Energy: 0.7032855084093103
Energy: 0.7301920841648667
Energy: 0.71669240828745
Energy: 0.9899074539281434
Energy: 0.7166924082859398
Energy: 0.7391414092032519
Energy: 0.7017588798607125
Energy: 0.8552617718917789
Energy: 0.7017588798576924
Energy: 0.7641595044343614
Energy: 0.9711265618866527
Energy: 1.058771402271914
Energy: 0.9711265618881629
Energy: 0.6774336844301119
Energy: 1.008256125957363
Energy: 1.1747166862647835
Energy: 1.008256125956608
Energy: 0.9794680410785639
Energy: 0.7323338611967175
Energy: 0.788881447558231
Energy: 0.7323338607898816
Energy: 0.7100068679041834
Energy: 0.7554587711703034
Energy: 0.8185603543697649
Energy: 0.7554587711687933
Energy: 1.1911940631102143
Energy: 0.7556804391738544
Energy: 0.8023015732016423
Energy: 0.7556804855429251
Energy: 1.1832224927530255
Energy: 0.7585689240863954
Energy: 0.6842678169061038
Energy: 0.7585689240856403
Energy: 0.8192360067089858
Energy: 0.8176234667386034
Energy: 0.9572649838227468
Energy: 0.8176234667604998
Energy: 0.7490857993870645
Energy: 0.7206959674534977
Energy: 0.9702800884465402
Energy: 0.7206959674534977
Energy: 0.7615717923419675
Energy: 0.7307468361461168
Energy: 0.7749521825680348
Energy: 0.7307468361461168
Energy: 0.6842648485989653
Energy: 0.6668057278041053
Energy: 1.1559351065320214
Energy: 0.6668057278033502
Energy: 0.9021694330322569
Energy: 0.7355209635492027
Energy: 0.6190401399152804
Energy: 0.7355209635476926
Energy: 0.8459471469620284
Energy: 0.711652313731825
Energy: 0.8996802976844189
Energy: 0.7116523137310699
Energy: 0.8402165706471287
Energy: 0.7132266142678725
Energy: 0.7085619044646663
Energy: 0.7132266142656074
Energy: 0.9866416893275902
Energy: 0.7221487888290834
Energy: 0.830830248442273
Energy: 0.7221487888283283
Energy: 1.1873748534396467
Energy: 0.6978871342242676
Energy: 0.7302243324476972
Energy: 0.6978871342235126
Energy: 0.8602659192928481
Energy: 0.7162479560052855
Energy: 0.7509735799264088
Energy: 0.7162479560060406
Energy: 1.097636941873071
Energy: 0.7441466467026786
Energy: 0.7646293922438543
Energy: 0.7441466467011686
Energy: 1.1467667262311847
Energy: 0.9988143689579696
Energy: 0.6972788910527589
Energy: 0.9988143689557044
Energy: 0.7708856404352564
Energy: 0.7313625135992965
Energy: 0.9761260643791613
Energy: 0.7313625138928747
Energy: 0.8257910940158847
Energy: 0.7454820099194452
Energy: 0.7105496290275439
Energy: 0.7454820097836045
Energy: 0.8046467569634974
Energy: 0.768554259478048
Energy: 0.7036583202230097
Energy: 0.7685542594765379
Energy: 0.8495341673179273
Energy: 0.7435585168014424
Energy: 1.178032991739227
Energy: 0.7435585167999321
Energy: 0.9660919731691163
Energy: 0.8445871471034344
Energy: 0.7463631451446595
Energy: 0.8445871471049446
Energy: 0.9618910646427308
Energy: 0.7277726715106642
Energy: 0.7499146300501862
Energy: 0.7277726715106642
Energy: 0.7995433198900734
Energy: 0.7275343656882246
Energy: 0.7530045581474504
Energy: 0.7275343656867147
Energy: 1.1605886692579106
Energy: 0.6849866713683496
Energy: 0.7166091356972564
Energy: 0.6849866713683496

minimum gb energy = 0.4840255077984449 eV
minimum distance =  2.26666118630924 Angstroms
sigma value = 1


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

Energy: 0.15959166503228886
Energy: 0.2949956785804705
Energy: 0.24792514277505023
Energy: 0.7089571171593728
Energy: -0.2432608038520924
Energy: 0.6837471102525408
Energy: 0.9301915945086412
Energy: 0.6837471105906495
Energy: 0.46825594846276064
Energy: 0.7207305515782185
Energy: 0.8886159214103668
Energy: 0.7207305533970777
Energy: 0.8050372154177821
Energy: 0.05000455806974356
Energy: 0.9019234020773242
Energy: 0.04259311864513965
Energy: -0.2303941684774747
Energy: 0.6054853301615545
Energy: 0.16659442827550247
Energy: 0.6054853320910288
Energy: 0.6604578739618516
Energy: 0.6588033401821243
Energy: 0.3628109867897282
Energy: 0.6588033400746413
Energy: 0.6732251915208116
Energy: 0.6510459633617536
Energy: 0.9205554431530993
Energy: 0.6510430077694767
Energy: 0.6835967473248601
Energy: 0.6668197012928581
Energy: -0.5407997951990491
Energy: 0.6668197040133409
Energy: 0.7554685275125079
Energy: 0.9576550816005526
Energy: 1.016576222405635
Energy: 0.9576550814440499
Energy: 1.0873763758275086
Energy: 0.9588910160869037
Energy: 0.8524554635406925
Energy: 0.958886985041257
Energy: 0.6069826987325315
Energy: 0.7259319469146701
Energy: 0.8394621479598718
Energy: 0.725931949193737
Energy: 1.282602073713816
Energy: 0.735184972450949
Energy: 0.8655300866153729
Energy: 0.7351849711454932
Energy: 1.2655538246374314
Energy: 0.71050097002796
Energy: 0.8500011045410445
Energy: 0.7105009700404878
Energy: 0.628109904592878
Energy: 0.7329072198012448
Energy: 1.0518435040722494
Energy: 0.7329072197950285
Energy: 0.8123191518769158
Energy: 0.9096484057251952
Energy: 1.0233802270081382
Energy: 0.9096483959431971
Energy: 0.775941910950982
Energy: 0.6396876286656076
Energy: -0.11230845699251919
Energy: 0.6396876287282467
Energy: -0.7980292823170456
Energy: 0.6489476590419752
Energy: 0.1466392564581494
Energy: 0.6489476590210954
Energy: 0.6855304560570821
Energy: 0.6652044986350334
Energy: 0.7816112504277174
Energy: 0.6652035572742414
Energy: 0.6680115532675902
Energy: 0.6573474025489622
Energy: 1.033064847022938
Energy: 0.6573474023078965
Energy: 0.6128267595481676
Energy: 0.7622161256165294
Energy: -0.45513841607943695
Energy: 0.7622161258398473
Energy: 1.1281036348736226
Energy: 0.6712785586703581
Energy: 0.2705557305277383
Energy: 0.671278450847435
Energy: 1.1249793396557437
Energy: 0.6779771068630849
Energy: 0.6911831704598993
Energy: 0.677977028843184
Energy: -0.2712447713292875
Energy: 0.6846925811889318
Energy: 0.6875859122730297
Energy: 0.6846925811044166
Energy: 0.36372984543554404
Energy: 0.6732491276594689
Energy: 0.6802479225328709
Energy: 0.6732491276886529

minimum gb energy = -0.7980292823170456 eV
minimum distance =  2.27419946408107 Angstroms
sigma value = 17


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

Energy: 0.641849608144526
Energy: 0.5778493924880874
Energy: 0.8779165448251924
Energy: 0.6516947569821075
Energy: 0.8462440297701055
Energy: 0.6147199169044174
Energy: 0.8358084762347128
Energy: 0.6147199169044174
Energy: 1.056865246593064
Energy: 0.6214441887101072
Energy: 0.8347992094203416
Energy: 0.62144418870823
Energy: 1.0432688415985132
Energy: 0.7272395545913708
Energy: 0.8019291682722842
Energy: 0.7272395545907254
Energy: 0.8706720678927476
Energy: 0.6516088018831034
Energy: 0.8936191497933388
Energy: 0.6516088018824582
Energy: 0.6931804699495818
Energy: 0.6522787020218395
Energy: 0.4266066590164744
Energy: 0.6522787020211942
Energy: 0.6955371128942857
Energy: 0.6508085333327328
Energy: 0.6334704774060719
Energy: 0.650808533330797
Energy: 0.6979132039147585
Energy: 0.6401666803293492
Energy: 0.4628195951763291
Energy: 0.640166680331285
Energy: 0.804007992094838
Energy: 0.6568890298282803
Energy: 0.4502586119388954
Energy: 0.6568890298269899
Energy: 0.8533452860898082
Energy: 0.7242865158548757
Energy: 0.8198220926840722
Energy: 0.7242865158587473
Energy: -0.02998481354956247
Energy: 0.6243570872669366
Energy: 0.6457961448769596
Energy: 0.6243570872662914
Energy: 0.663940653162809
Energy: 0.5971191489893469
Energy: 0.7988989207492996
Energy: 0.5971191387999522
Energy: 0.5391447049471249
Energy: 0.606557534949339
Energy: 0.648972097385821
Energy: 0.606557534947403
Energy: 0.5477066029858222
Energy: 0.6215422568843435
Energy: 0.6582656506283469
Energy: 0.6215422568856339
Energy: 1.067088787567533
Energy: 0.6131488790984078
Energy: 0.6673381998349694
Energy: 0.6131488791313163
Energy: 0.5244672292592306
Energy: 0.6232779451781603
Energy: 0.49866743065359004
Energy: 0.623277945177515
Energy: 0.6642152282319406
Energy: 0.6154448037125797
Energy: 0.6691003198720326
Energy: 0.6154448037080628
Energy: 0.6601514843975365
Energy: 0.6127874553687889
Energy: 0.4698404536474965
Energy: 0.6127874553687889
Energy: 0.6770710331652148
Energy: 0.6117868524315074
Energy: 0.6224180773681068
Energy: 0.6117868506649453
Energy: -0.6130911603259271
Energy: 0.5719987742384195
Energy: 0.5855637006467982
Energy: 0.5719987744002639
Energy: 0.8268156469299409
Energy: 0.6124794985789733
Energy: 0.8341226460083281
Energy: 0.6124794985763923
Energy: 0.8371334022115787
Energy: 0.7792711385631632
Energy: 1.0581614207070542
Energy: 0.7792711385657443
Energy: 0.5016440598085716
Energy: 0.7295295135278846
Energy: 1.0505953018335012
Energy: 0.7295295135265941
Energy: 0.8763326032995131
Energy: 0.6490343503437584
Energy: 0.8332877255208517
Energy: 0.6490343503437584
Energy: 0.5020942537403402
Energy: 0.6533658540810496
Energy: 0.6947720518050323
Energy: 0.6533658540804044
Energy: 0.6223749899619287
Energy: 0.6829499070241235
Energy: 0.7534595519204104
Energy: 0.682949907025414
Energy: 0.4750852234781708
Energy: 0.633200364634842
Energy: 0.6855536478844921
Energy: 0.6332003646361325
Energy: 0.4874685873560932
Energy: 0.7264114266156135
Energy: 0.9908633934356854
Energy: 0.726411426614323
Energy: 0.8225803826332987
Energy: 0.7075435766651417
Energy: 0.8637244085583721
Energy: 0.7075435766664323
Energy: 0.6401352388697863
Energy: 0.5917868476412027
Energy: -0.00909770100805709
Energy: 0.5917868476424931
Energy: 0.8055580807042809
Energy: 0.6140710679528096
Energy: 0.6733149000210839
Energy: 0.6140710679521644
Energy: 0.6560991285974134
Energy: 0.6133905398016088
Energy: 0.6596100019425722
Energy: 0.613390539799673
Energy: 0.6588948266184402
Energy: 0.6189066061758248
Energy: 0.47150735982587066
Energy: 0.6189066061758248
Energy: 0.6640092043056539
Energy: 0.612329831608726
Energy: 1.064801889501831
Energy: 0.612329831608726
Energy: 0.5968646270005735
Energy: 0.6259867759449507
Energy: 0.6067973192594917
Energy: 0.62598677594366
Energy: 0.6541188770332675
Energy: 0.605551125720371
Energy: 0.6668548062688857
Energy: 0.6055511257197257
Energy: 0.49291908720584887
Energy: 0.6103667298768203
Energy: 0.6661314950197541
Energy: 0.6103667298781107
Energy: 0.5873667158864677
Energy: 0.6116414613913944
Energy: 0.6707973758670225
Energy: 0.611641460715449

minimum gb energy = -0.6130911603259271 eV
minimum distance =  2.27857700025905 Angstroms
sigma value = 89


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

Energy: 1.4863508190646622
Energy: 0.33193665341117595
Energy: 0.40240276973854994
Energy: 0.4850040117469612
Energy: 0.38577153458175756
Energy: 0.4594963355075287
Energy: 0.37328428138810815
Energy: 0.35407030696246367
Energy: 0.5056560182817644
Energy: 0.4277827168168012
Energy: 0.200631518636759
Energy: 0.4449181136334384
Energy: 0.4346757932594704
Energy: 0.4953984889871884
Energy: 0.3506216485405345
Energy: 0.4953985019260002
Energy: 0.27247089921291223
Energy: 0.42668849631004313
Energy: 0.44634671036685053
Energy: 0.4266884961379084
Energy: 0.42251093798133144
Energy: 0.4423615770707474
Energy: 0.4711309355547734
Energy: 0.4423615775955551
Energy: 0.39708373900753535
Energy: 0.39638712960717903
Energy: 0.3756835424976194
Energy: 0.39638712960211403
Energy: 0.39087271630507464
Energy: 0.3621738966008309
Energy: 0.37657843837090405
Energy: 0.36217388380882864
Energy: 0.3401090684645869
Energy: 0.3627322170359009
Energy: 0.4039076338083361
Energy: 0.37154396368075193
Energy: 0.27156142531542465
Energy: 0.47371140326871364
Energy: 0.2658518765488698
Energy: 0.47371337137016034
Energy: 0.35187333836339363
Energy: 0.4202684740881401
Energy: 0.4892413192381185
Energy: 0.43681806549383234
Energy: 0.5279684695650076
Energy: 0.3628397172198038
Energy: 0.33141051111204595
Energy: 0.362873227981716
Energy: 0.5100479840385207
Energy: 0.43673947101282967
Energy: 0.41022741256551226
Energy: 0.4367394710482466
Energy: 0.3608062193691366
Energy: 0.44541927875057635
Energy: 0.38234233053957195
Energy: 0.4454192647012918
Energy: 0.35627667803186774
Energy: 0.4272291934591054
Energy: 0.3976301184808371
Energy: 0.4272291932768406

minimum gb energy = 0.200631518636759 eV
minimum distance =  2.28864223165504 Angstroms
sigma value = 13


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

Energy: 1.2606489028899515
Energy: 0.2035770369747197
Energy: 0.18096494011147635
Energy: 0.2594798108855821
Energy: 0.5724725778826191
Energy: 0.24988822325704965
Energy: 0.37818545848390883
Energy: 0.2498882232733256
Energy: -0.41965227059051313
Energy: 0.25048050578459147
Energy: 0.3546833125928658
Energy: 0.2504805057909603
Energy: 0.7453462092301271
Energy: 0.269185029764043
Energy: 0.27648234115064946
Energy: 0.269185029766166
Energy: 0.38926615755417043
Energy: 0.26840719755465525
Energy: 0.6676801002185778
Energy: 0.26840719755465525
Energy: 0.3801317150247899
Energy: 0.2648560763731577
Energy: 0.7185656730461552
Energy: 0.26485607637032715
Energy: 0.35072496693682254
Energy: 0.2435226508080477
Energy: -0.4652009118657893
Energy: 0.24352265081724714
Energy: 0.36564229213874877
Energy: 0.17938293622814286
Energy: 0.7080508665130606
Energy: 0.17938293619276044
Energy: 0.05186042361330825
Energy: 0.24033368703878877
Energy: 0.8031299721339222
Energy: 0.24033368697091878
Energy: 0.08436325692297499
Energy: 0.2444994188324904
Energy: 0.33076210642976833
Energy: 0.24449941879151108
Energy: 0.12688638485335793
Energy: 0.18213360391969005
Energy: 0.7047435651025591
Energy: 0.18213360417431504
Energy: 0.40821432986854184
Energy: -0.46964756233198346
Energy: 0.31641003054738603
Energy: -0.4696475636031141
Energy: 0.4709147227074451
Energy: -0.45714024493154315
Energy: 0.3651894471825505
Energy: -0.45714024495914146
Energy: 0.370009709538547
Energy: -0.4870088600625573
Energy: 0.49471352820878295
Energy: -0.4870079472511868
Energy: 0.5916580452227732
Energy: 0.24969045072836663
Energy: 0.4060008413314752
Energy: 0.24969045072836663
Energy: 0.5987092708290722
Energy: 0.24778115519759158
Energy: 0.12008600782473909
Energy: 0.24778115520042215
Energy: 0.5563746081434374
Energy: 0.2571625008800882
Energy: 0.20084593673972767
Energy: 0.2571625008822111
Energy: 0.7917700499899671
Energy: 0.21801565702610023
Energy: 0.09815827212779392
Energy: 0.21801565705794443
Energy: 0.7231699528135933
Energy: 0.2690922769678982
Energy: 0.3671611457796286
Energy: 0.2690922769820512
Energy: 0.27662720046037054
Energy: 0.24233722470798352
Energy: 0.31195201650107773
Energy: 0.24233722471287275
Energy: 0.9005172744123763
Energy: 0.3941069417899125
Energy: 0.3544538276156259
Energy: 0.39410694178431566
Energy: 0.32318655056382584
Energy: 0.2673685461159171
Energy: 0.6884441704966021
Energy: 0.26736854609398003
Energy: 0.38395340126252425
Energy: 0.2578987028659402
Energy: 0.6659937267834024
Energy: 0.25789870286664784
Energy: 0.2413013929199755
Energy: 0.2023595977345231
Energy: 0.36848984649201505
Energy: 0.20235959774089193
Energy: 0.35660244840294847
Energy: 0.20570153511238845
Energy: 0.757032685081479
Energy: 0.2057015351010661
Energy: 0.06324816297711558
Energy: 0.23824717562670789
Energy: 0.7784584322365583
Energy: 0.23824717578798757
Energy: 0.09956103494671717
Energy: 0.22531167587225062
Energy: 0.25068449907338497
Energy: 0.2253116758793271
Energy: 0.06596082592517334
Energy: 0.19035017251461347
Energy: 0.7818752738115624
Energy: 0.19035017761592646
Energy: -0.274915968169237
Energy: 0.24184582070316696
Energy: 0.4970283431127365
Energy: 0.24184582070104402
Energy: 0.5337788146735692
Energy: -0.4418658014653883
Energy: 0.3682917079140024
Energy: -0.4418658014540659
Energy: 0.42781000040619754
Energy: -0.38412091445374685
Energy: 0.49153382367865917
Energy: -0.38412091421398253
Energy: 0.60034950505928
Energy: 0.24723317139904524
Energy: 0.357805636459212
Energy: 0.24723317138913817
Energy: 0.5725168392739948
Energy: 0.2469165260022721
Energy: 0.10185056802138961
Energy: 0.24691652600581038
Energy: 0.5630929848901773
Energy: 0.27339244189730433
Energy: 0.17591949392914305
Energy: 0.2733924418937661
Energy: 0.6334676978039364
Energy: 0.24651348765330802
Energy: 0.11686235144403041
Energy: 0.24651348770001286

minimum gb energy = -0.4870088600625573 eV
minimum distance =  2.27313016301416 Angstroms
sigma value = 37


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

Energy: 1.0047029314076643
Energy: -0.20547431994572682
Energy: -0.1216923973526461
Energy: 0.15664752887385638
Energy: 0.48586850528988246
Energy: -0.07781609126366967
Energy: -0.03170927743185414
Energy: -0.07716842974899255
Energy: 0.6251221504657423
Energy: -0.2850064424424354
Energy: -0.0980501549240989
Energy: -0.16227334375754032
Energy: 0.7104758972812305
Energy: -0.303098886967325
Energy: 0.1720033177881576
Energy: -0.41672406529026335
Energy: 0.3557159170651259
Energy: -0.3531329711026893
Energy: 0.57292444393868
Energy: -0.16194101978089892
Energy: -0.01693735618107711
Energy: -0.0475120417008779
Energy: 0.2867825374762294
Energy: -0.0654135101674345
Energy: 0.050213939605218826
Energy: -0.416101364915812
Energy: 0.45910528897698716
Energy: -0.12301553672061603
Energy: -0.56216264717535
Energy: -0.10765346573396437
Energy: 1.0874016308557701
Energy: -0.10762589039785153
Energy: -0.08111337508479877
Energy: -0.2238703522905552
Energy: 1.0143025347245904
Energy: -0.9969326413411593
Energy: -1.1233172422533098
Energy: -0.2251809230789678
Energy: -0.016245792522075756
Energy: -0.25192298414805353
Energy: -0.07840232613171219
Energy: -0.26752520260515655
Energy: 1.004701285651609
Energy: -0.18317753291540398
Energy: -0.2318657714525486
Energy: -0.07722081645957747
Energy: 0.043577486526270706
Energy: -0.08292119926043444
Energy: 0.05312739255149691
Energy: -0.17666434645272827
Energy: 0.6251221279668618
Energy: -0.1105275645214636
Energy: 0.1720033177577205
Energy: -0.3102315121476566
Energy: 0.6851882513923565
Energy: -0.1687586969684872
Energy: 0.5729244454744548
Energy: -0.6513477935659034
Energy: 0.35808620044568196
Energy: -0.33037240878421176
Energy: -0.09421118457093147
Energy: -0.047049415436211786
Energy: -0.029606633949792325
Energy: -0.05055466436218855
Energy: 0.4591065873694952
Energy: -0.7232075532788607
Energy: 0.05519927658547595
Energy: -0.29360429858405973
Energy: 1.106638084886528
Energy: -0.10770709072728639
Energy: -0.2768858082891748
Energy: -0.10772058876307065
Energy: 1.014302534701486
Energy: -0.1909619551370374
Energy: -0.0811407893983988
Energy: -0.15115045431402346
Energy: 0.43445718860775867
Energy: -0.6762943359427562
Energy: -0.04219978471045398
Energy: -0.1560121648212626

minimum gb energy = -1.1233172422533098 eV
minimum distance =  2.31370495223971 Angstroms
sigma value = 25


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

Energy: 1.1090695237506292
Energy: -0.2957834351563151
Energy: -0.30621349091258804
Energy: 0.06719177496246463
Energy: 0.08225995472575486
Energy: -0.42380391916179466
Energy: -0.2302454248665932
Energy: -0.42380391912381005
Energy: 0.22536973159691195
Energy: -0.4957285571056414
Energy: -0.2552661024889868
Energy: -0.4957337162986008
Energy: 0.6829067542175088
Energy: -0.44583467504173885
Energy: -0.46568497552837224
Energy: -0.4458346747538075
Energy: -0.07288715436400232
Energy: -0.7534468824760987
Energy: -0.2495506424385381
Energy: -0.7534468825967938
Energy: -0.3663302257177024
Energy: -0.7743675806281018
Energy: -0.3743609957310387
Energy: -0.7743657347317722
Energy: -0.3392846428464887
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Energy: -0.20367640599966255
Energy: -0.5978702738990301
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Energy: -0.24155375799972473
Energy: -0.06962842081884744
Energy: -0.24155375003548205
Energy: -0.35245573817420783
Energy: -0.2707320190111273
Energy: -0.20719400082357647
Energy: -0.2707320190225357
Energy: -0.3154642121782045
Energy: -0.675802337072742
Energy: 0.13001685695644646
Energy: -0.6758023370765448
Energy: -0.2332163047747173
Energy: -0.1891789007186048
Energy: 1.0045839512978172
Energy: -0.1891788667311237
Energy: -0.6276540387473141
Energy: -0.7722739455278935
Energy: -0.04303198803476081
Energy: -0.7722739438031576
Energy: -0.30549795435991434
Energy: -0.2784992891369569
Energy: -0.07333044017858252
Energy: -0.27849928915121736
Energy: -0.41691101594392704
Energy: -0.2331630017717968
Energy: 0.8231466145510169
Energy: -0.23316300180031768
Energy: -0.5606802386326855
Energy: -0.2811954354760343
Energy: 0.02866044599706507
Energy: -0.2811954182447061
Energy: -0.5266240902819184
Energy: -0.713564937127787
Energy: -0.06974340161073779
Energy: -0.7135704142521031
Energy: -0.25449014931515707
Energy: -0.2199916961787375
Energy: 0.06968337549848103
Energy: -0.21999169569599983
Energy: 0.22671043881224942
Energy: -0.8447210629783116
Energy: -0.351033135689251
Energy: -0.8447210624442797
Energy: -0.03613250178047876
Energy: -0.7877542689871735
Energy: -0.37605231635415165
Energy: -0.7878613708727764
Energy: -0.2774964605649016
Energy: -0.7326349486185202
Energy: -0.3857104450300897
Energy: -0.7326364361360306
Energy: -0.02201855772555121
Energy: -0.2860327535723014
Energy: -0.36025627480706496
Energy: -0.2860327535152596
Energy: -0.1680995411130218
Energy: -0.4164282407627072
Energy: -0.12793730106617532
Energy: -0.4164282726358397
Energy: 0.052248544021393166
Energy: -0.3056987551938499
Energy: -0.3959693052379057
Energy: -0.30569875527271456
Energy: 0.9940090444761911
Energy: -0.3214484974000076
Energy: -0.545099924283283
Energy: -0.3214484973344095
Energy: -0.044418528467326725
Energy: -0.46248387851603623
Energy: -0.2667944155584874
Energy: -0.4624838787545314
Energy: 0.30483014701372435
Energy: -0.4255900992110313
Energy: -0.47839787306214426
Energy: -0.4255900997108815

minimum gb energy = -0.8447210629783116 eV
minimum distance =  2.2759494980344 Angstroms
sigma value = 41


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

Energy: -0.12469269963473892
Energy: -0.8610363107403965
Energy: -0.750313361138385
Energy: -0.18054183914864833
Energy: 0.24121367898828788
Energy: -0.8421052175532174
Energy: -0.6838264918276599
Energy: -0.8421052310256207
Energy: -0.01633734375431683
Energy: -0.8038338965759693
Energy: -0.6854349849196982
Energy: -0.8038338964786133
Energy: -0.1423859027169077
Energy: -0.8062924292018686
Energy: -0.5682593666417545
Energy: -0.8062924292096626
Energy: -0.7224252016374445
Energy: -0.7388468494018285
Energy: -0.5958576126062863
Energy: -0.7388468489188038
Energy: -0.30108230563911526
Energy: -0.85472120513814
Energy: -0.48486250584647034
Energy: -0.8547212040326458
Energy: -0.3846707871482877
Energy: -0.5685388010622192
Energy: -0.42674119611682904
Energy: -0.5685388010029836
Energy: -0.2874578571038697
Energy: -0.4907910758574218
Energy: -0.27111375625778944
Energy: -0.49079107588307164
Energy: -0.3884089977606598
Energy: -0.6484828181527881
Energy: -0.06649547635652005
Energy: -0.6484763977282624
Energy: -0.3922831143768797
Energy: -1.0845867717699118
Energy: 0.012601221929360052
Energy: -1.084586771616438
Energy: -0.792013321959184
Energy: -0.8545294150359424
Energy: -0.2533583796655223
Energy: -0.854529414836483
Energy: -0.696224007496954
Energy: -0.7980184071147912
Energy: 0.11400938591451887
Energy: -0.798018407085953
Energy: -0.4968447815361696
Energy: -0.8178645785049437
Energy: 0.22168817803067076
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Energy: -0.8747143811240518
Energy: -0.8646861600549746
Energy: 0.12429811334480628
Energy: -0.8646861600510776
Energy: -0.8793686836344754
Energy: -0.9698325476022756
Energy: 0.18323006060598643
Energy: -0.9698325476131874
Energy: -0.8535290737184501
Energy: -0.8200960924726274
Energy: 0.09212159394787597
Energy: -0.8200960924734066
Energy: -0.8725011620672605
Energy: -0.8726597846829046
Energy: 0.06422155023626663
Energy: -0.8726597846836841
Energy: -0.661705955744781
Energy: -0.8872802086407565
Energy: 0.19490329324101213
Energy: -0.8872802086384184
Energy: -0.6426179315868538
Energy: -0.8119486621538842
Energy: -0.07469829624271088
Energy: -0.8119486621585607
Energy: -0.31306084228465186
Energy: -0.819679831320387
Energy: 0.0025158628740291535
Energy: -0.8196798313227253
Energy: -0.6593128195513782
Energy: -0.6850209281201384
Energy: -0.09443792624300998
Energy: -0.6850209544456642
Energy: -0.5404712611697565
Energy: -0.569528862595577
Energy: -0.3858698669574808
Energy: -0.5695288625644003
Energy: -0.2838503472089304
Energy: -0.7811915859820706
Energy: -0.2820269625785391
Energy: -0.7811915858839352
Energy: -0.2595360016623506
Energy: -0.6444983950330643
Energy: -0.6921377387526817
Energy: -0.6444983950057848
Energy: -0.035044292230979886
Energy: -0.8120021304657652
Energy: -0.41771978792574466
Energy: -0.8120021291608825
Energy: -0.05530097234078585
Energy: -0.8123675400122838
Energy: -0.6437076195454258
Energy: -0.8123675480312612
Energy: -0.14783250497380315
Energy: -0.8074720946775684
Energy: -0.6625194747034994
Energy: -0.8074720946923772
Energy: 0.11798409130960931
Energy: -0.8859526091678959
Energy: -0.6590965049170698
Energy: -0.8859549798221891
Energy: 0.12709084221946765
Energy: -0.8259995044358242
Energy: -0.6879445562307932
Energy: -0.8259995044420594
Energy: 0.1335114571029228
Energy: -0.810807761959305
Energy: -0.8625741675697737
Energy: -0.8108077619561875
Energy: 0.19041223454021403
Energy: -0.8048298901720923
Energy: -0.8120422319190281
Energy: -0.8048298901923572
Energy: 0.11724288104951401
Energy: -0.8773863670604993
Energy: -0.9388671961730675
Energy: -0.87738636705972

minimum gb energy = -1.0845867717699118 eV
minimum distance =  2.2620554910256 Angstroms
sigma value = 15


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

Energy: -0.34853263621167446
Energy: -1.6607316951816284
Energy: -1.4904306889203522
Energy: -0.3723954503236961
Energy: -0.2652797433563808
Energy: -1.197164740213466
Energy: -1.1851444746104114
Energy: -1.1971647402246908
Energy: -0.4917972096891344
Energy: -1.5952985719261596
Energy: -1.300683964459309
Energy: -1.5952985718265185
Energy: -0.6456221928011913
Energy: -0.3010904746479803
Energy: -1.298594134723982
Energy: -0.3010904751528499
Energy: -0.3679381401930496
Energy: -1.686437403773195
Energy: -1.2082865679978907
Energy: -1.6864374037236747
Energy: -0.6855808794432939
Energy: -1.646312121373707
Energy: -1.2752569419592719
Energy: -1.6463121060502444
Energy: -0.7315708438019126
Energy: -1.801331066418446
Energy: -1.3066585139986036
Energy: -1.8013313797675106
Energy: -0.5234110029340369
Energy: -1.3399642509010716
Energy: -0.9490571199015783
Energy: -1.3399642509360659
Energy: -0.9283916547055838
Energy: -1.509322498163632
Energy: -0.5591652441494556
Energy: -1.5093224972508328
Energy: -1.056918122758384
Energy: -1.4682505670835098
Energy: -0.5120070044540552
Energy: -1.4682505654381666
Energy: -1.11695770181838
Energy: -0.36922806173586753
Energy: -0.8057603046390661
Energy: -0.369228061474519
Energy: -0.9443432910810735
Energy: -1.3671813409119355
Energy: -0.40186400116351617
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Energy: -1.2764926764216862
Energy: -1.4241387337511904
Energy: -0.68865060768125
Energy: -1.4241387324991905
Energy: -1.2655223237795217
Energy: -1.2949530063084838
Energy: -0.5768979407386715
Energy: -1.2949530057026521
Energy: -1.2919130403991357
Energy: -1.43075474882094
Energy: -0.05925777554925384
Energy: -1.4307544867583102
Energy: -1.2736044019343589
Energy: -1.3130105450522087
Energy: -0.41347177237319355
Energy: -1.313010545062113
Energy: -1.3263803636063214
Energy: -1.3400587006235933
Energy: -0.41214608460455543
Energy: -1.340058700625574
Energy: -1.4301863013144838
Energy: -1.5352719256915264
Energy: -0.3739861417156452
Energy: -1.535271925269791
Energy: -1.4721316623119929
Energy: -1.4475683106925357
Energy: -0.4976467317718582
Energy: -1.4475683106898947
Energy: -1.3627225026620053
Energy: -1.3330962320603836
Energy: -0.17376211221838633
Energy: -1.3330962320617041
Energy: -1.3708263922861486
Energy: -1.317627340358787
Energy: -0.09481144688609872
Energy: -1.3176273408762018
Energy: -1.2645964785495587
Energy: -1.6242285492806467
Energy: -0.646701459963593
Energy: -1.6242285490060928
Energy: -1.0140115219291117
Energy: -1.4362426819440122
Energy: -0.586299549177244
Energy: -1.4362426819506147
Energy: -1.2027601337305647
Energy: -1.6865940945546383
Energy: -0.4006065664563571
Energy: -1.6865940945770879
Energy: -1.2892630313809057
Energy: -1.7413398122809527
Energy: -0.8108821551645624
Energy: -1.7413398122961388
Energy: -0.8059571789775706
Energy: -1.0076208723173414
Energy: -0.5661192189465454
Energy: -1.0076208722948923
Energy: -0.9701849078556501
Energy: -1.2330770954177517
Energy: -0.5545825687784687
Energy: -1.2330770954131298
Energy: -0.9719237493889804
Energy: -1.5298433740405388
Energy: -1.004401435983573
Energy: -1.529843374219413
Energy: -0.8065451786530587
Energy: -1.1377528559604622
Energy: -0.7366940825245164
Energy: -1.1377528571787878
Energy: -0.7798678445080587
Energy: -1.4698544250107992
Energy: -1.1634943366285984
Energy: -1.4698544249104375
Energy: -0.18237934712416898
Energy: -1.4320251062438842
Energy: -0.9976144717074411
Energy: -1.4320251062617115
Energy: -0.5888133150954242
Energy: -1.2837063315911226
Energy: -1.0852558969154569
Energy: -1.283706331794427
Energy: -0.6497649536056894
Energy: -1.575522996514563
Energy: -1.3633029474714302
Energy: -1.575522996769969
Energy: -0.3059905059161399
Energy: -1.348521798870699
Energy: -1.1030890772365693
Energy: -1.348521798868058
Energy: -0.4230182406476937
Energy: -0.32530191498315164
Energy: -1.2427565113627004
Energy: -0.3253019149824914
Energy: -0.4007729608297669
Energy: -1.1945027999430922
Energy: -1.2609837437504314
Energy: -1.1945027999424322
Energy: -0.47996174474698466
Energy: -1.2720785390963938
Energy: -1.1977002513738242
Energy: -1.2720785390970542

minimum gb energy = -1.8013313797675106 eV
minimum distance =  2.25134893975364 Angstroms
sigma value = 85


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

Energy: 0.5845678240899863
Energy: -0.9605245438989487
Energy: -0.9373233267836378
Energy: -0.7258623376168435
Energy: 0.0179280152330648
Energy: -0.9647996776684423
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Energy: -0.7785362833156569
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Energy: -0.7785007713929066
Energy: -0.6597736988019534
Energy: -0.7785007714198214
Energy: -0.27677668831734376
Energy: -0.9967932013564126
Energy: 0.011342209924837386
Energy: -0.9967932106413421
Energy: -0.4268932170064385
Energy: -0.7595307516833808
Energy: -0.5047575297743674
Energy: -0.7595307512529251
Energy: -0.37387181121751706
Energy: -0.97079443873927
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Energy: -0.970794438980827
Energy: -0.5912312069823623
Energy: -0.8962771987090907
Energy: -0.3109253575707181
Energy: -0.8962807180464041
Energy: -0.48990202684675516
Energy: -0.934398576936276
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Energy: -0.9343985873328369
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Energy: -0.7525529341582081
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Energy: -0.7848956817127153
Energy: 0.38519419691065504
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Energy: -0.1731063032188396
Energy: -0.7893787922625374
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Energy: -0.803431557065063
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Energy: -0.8034315576700749
Energy: -0.5580224381385397
Energy: -0.658420690007571
Energy: -0.2931411204142899
Energy: -0.6584206901071872
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Energy: -0.8462128167667189
Energy: 0.14869262081015489
Energy: -0.8462117158188179
Energy: -0.297370812105071
Energy: -0.8515987109566305
Energy: 0.16217645566532338
Energy: -0.8515990960542691
Energy: 0.12235858021282477
Energy: -0.7610207557142915
Energy: -0.4634863036025391
Energy: -0.7610207557234538
Energy: -0.2745194070726226
Energy: -0.7651826885857647
Energy: -0.43699220187074117
Energy: -0.7651826869023353
Energy: 0.30145351089767547
Energy: -0.8970028807812331
Energy: -0.27902235218609883
Energy: -0.8970028802981449
Energy: 0.3058736397578172
Energy: -0.9595382824559735
Energy: -0.7185307546927181
Energy: -0.9595382824084691
Energy: 0.0776651711752936
Energy: -0.8802308030475364
Energy: -0.5956154069115097
Energy: -0.8802308030126303
Energy: -0.021035552114559496
Energy: -0.7266090477362556
Energy: -0.7140080594964919
Energy: -0.7266090477585893
Energy: -0.08862480595355803
Energy: -1.017549558058823
Energy: -0.7930723006601089
Energy: -1.01754955823226
Energy: 0.1942394918143821
Energy: -0.6557021899472179
Energy: -0.5587164998249832
Energy: -0.6557021899575257
Energy: 0.29759524273285587
Energy: -0.6460825182372003
Energy: -0.6637496075676885
Energy: -0.6460825182349097
Energy: -0.17863170592852978
Energy: -0.7681349893870639
Energy: -0.9561338632395263
Energy: -0.7681349893870639
Energy: 0.11876646667760996
Energy: -0.6428213195076169
Energy: -0.6984096567171529
Energy: -0.6428213195505663

minimum gb energy = -1.0319380181227553 eV
minimum distance =  2.25030215190531 Angstroms
sigma value = 113


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

Energy: 0.018172801192649315
Energy: 0.3975943047566531
Energy: 1.331583739589506
Energy: 0.01898738675230228
Energy: -1.9858686678728013
Energy: -3.4199100936786055
Energy: -1.9667067809638443
Energy: -3.463203112505178
Energy: -3.057747772560218
Energy: -3.5381712106281276
Energy: -2.123018017648928
Energy: -3.4815890865286434
Energy: 0.019201614199450063
Energy: -3.7791447971746686
Energy: -1.858522424830529
Energy: -3.615836577647631
Energy: -1.975493262013794
Energy: -3.3679106853836944
Energy: -2.0803206537601464
Energy: -3.3463451823351527
Energy: -3.3235356338879503
Energy: -3.656963738126399
Energy: -2.026153958185137
Energy: -3.429629063758645

minimum gb energy = -3.7791447971746686 eV
minimum distance =  2.43106978612683 Angstroms
sigma value = 1