Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
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=[1.450365591398598e-19, 2.16695991925134e-19, 2.71525680693882e-19, 3.14808482461392e-19, 3.51467886023946e-19, 3.83899145449374e-19, 4.1237783511872395e-19, 4.37003289983304e-19, 4.581792585548819e-19, 4.76387996000292e-19, 4.92047670421008e-19, 5.055043519699739e-19, 5.170448302646759e-19, 5.269174426833839e-19, 5.35341687424956e-19, 5.42508223508838e-19, 5.48578870775064e-19, 5.536802011777199e-19, 5.57905140961578e-19, 5.61303357602292e-19, 5.63905292455908e-19, 5.65734978171936e-19, 5.66816447399886e-19, 5.671689262593659e-19, 5.667892103971079e-19, 5.6557636268517e-19, 5.63432650348878e-19, 5.602635449668259e-19, 5.55702148089828e-19, 5.49405593918208e-19, 5.410502427718979e-19, 5.30278809261516e-19, 5.16690749228562e-19, 4.99821431449176e-19, 4.791277180444319e-19, 4.5393669482804995e-19, 4.233751755345e-19, 3.86233516805112e-19, 3.4081661576111397e-19, 2.84809327166376e-19, 2.1518193500600397e-19, 1.280743151157018e-19, 1.84251915086634e-20, -1.210646321242884e-19, -3.0212084569674597e-19, -5.43475938195774e-19, -8.7161613242868e-19, -1.3222699673336639e-18, -1.94970476768094e-18, -2.84645905149708e-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: 0.013653765058030117
Energy: 0.014229010976144332
Energy: 0.551536531383591
Energy: 0.09633339209112345
Energy: 0.014229010976144332
Energy: 0.5338211553276698
Energy: 0.09633339209112345
Energy: 0.5338211553276698
Energy: 0.5515365313885046
Energy: 0.0963333920917507
Energy: 0.013653765058030117
Energy: 0.014229010975517094
Energy: 0.09633339209234308
Energy: 0.5338211553282622
Energy: 0.014229010976144332
Energy: 0.5338211553276698

minimum gb energy = 0.013653765058030117 eV
minimum distance =  2.51607641828877 Angstroms
sigma value = 1


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

Energy: 1.0768968671316321
Energy: 0.7065786271912424
Energy: 0.7695520897017656
Energy: 0.7687367712505275
Energy: 0.7338519661211981
Energy: 0.7761946527281425
Energy: 0.7204752176196974
Energy: 0.7761946527281425
Energy: 0.7698524060512146
Energy: 0.7690261557247671
Energy: 1.1677640734233814
Energy: 0.7690261557240065
Energy: 0.7211795957341347
Energy: 0.719597642705181
Energy: 0.7203454870260267
Energy: 0.7195976427044203
Energy: 1.001381344052004
Energy: 0.7196403759712797
Energy: 0.7207937739605429
Energy: 0.7196403759720406
Energy: 0.7582348711650339
Energy: 0.7706636140529055
Energy: 0.7204267186983506
Energy: 0.7706636140536661
Energy: 0.757334783155145
Energy: 0.7688124214655069
Energy: 1.0007550972228716
Energy: 0.7688124214639853
Energy: 0.7575903892512169
Energy: 0.7997137430618565
Energy: 0.7826025302258524
Energy: 0.7997137430626171
Energy: 0.8674489432364811
Energy: 0.788024938717318
Energy: 0.7716648730889911
Energy: 0.7880249387157967
Energy: 0.7901725310934031
Energy: 0.7930682683652902
Energy: 0.7721241324497915
Energy: 0.7930682683652902
Energy: 0.7689427947239768
Energy: 0.787458213689214
Energy: 0.8670684080433979
Energy: 0.7874582136884533
Energy: 0.7568189551080963
Energy: 0.7862473768349052
Energy: 0.7808803015672602
Energy: 0.7862473768356658
Energy: 0.7716783545572644
Energy: 0.7685662189569298
Energy: 0.734215629715451
Energy: 0.7685662189576905
Energy: 0.7560577595878974
Energy: 0.7692170400502953
Energy: 0.734297025477029
Energy: 0.7692170400518168
Energy: 0.7337704425528212
Energy: 0.7192769883647944
Energy: 0.7192901206752846
Energy: 0.7192769883640338
Energy: 0.7035550068971722
Energy: 0.7204481469659141
Energy: 0.7199753839554461
Energy: 0.7204481469666749
Energy: 0.7687478871153115
Energy: 0.7683622531985043
Energy: 0.7028718505539907
Energy: 0.7683622531985043
Energy: 0.7204195937543274
Energy: 0.7198263728277668
Energy: 0.7339152937888425
Energy: 0.7198263728277668
Energy: 0.7200229306554085
Energy: 0.7697421294302709
Energy: 0.7714936433275692
Energy: 0.7697421294317923
Energy: 0.7556810227507602
Energy: 0.7194438267602672
Energy: 0.7210602356785382
Energy: 0.7194438267617886
Energy: 0.72348271000769
Energy: 0.7209921968981111
Energy: 0.7542508639540746
Energy: 0.7209921968996325
Energy: 0.7210071731713795
Energy: 0.7199517749978076
Energy: 0.7576012604788733
Energy: 0.7199517749978076
Energy: 0.7551148303187456
Energy: 0.7701993693921056
Energy: 0.7555937329240009
Energy: 0.7701993693921056
Energy: 0.7825133405084096
Energy: 0.7695190925570792
Energy: 0.7594913080491815
Energy: 0.7695190925578399
Energy: 0.7725780591883529
Energy: 0.7884068738459619
Energy: 0.8673138886811143
Energy: 0.7884068738452013
Energy: 0.7733129612719417
Energy: 0.7858770257481165
Energy: 0.7917736661714445
Energy: 0.7858770257473557
Energy: 0.8684518155714112
Energy: 0.7874382595135478
Energy: 0.7690982816955687
Energy: 0.7874382595135478
Energy: 0.7800905968256909
Energy: 0.7870049289063723
Energy: 0.7569304096157745
Energy: 0.7870049289056115
Energy: 0.7339541066262075
Energy: 0.7684355911336994
Energy: 0.771492646210973
Energy: 0.7684355911352209
Energy: 0.733818005495502
Energy: 0.7689864099616821
Energy: 0.7567409677212055
Energy: 0.7689864099632036
Energy: 0.7188037101592305
Energy: 0.7193519432228261
Energy: 0.7335750736009012
Energy: 0.7193519432213048
Energy: 0.7200861628300484
Energy: 0.7199627976302951
Energy: 0.7037425985696163
Energy: 0.7199627976302951
Energy: 0.7028903240515176
Energy: 0.7215898888785185
Energy: 0.7688898260721309
Energy: 0.7215898888769973

minimum gb energy = 0.7028718505539907 eV
minimum distance =  2.28124974083492 Angstroms
sigma value = 1


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

Energy: 1.225436942558867
Energy: 0.7384477684491859
Energy: 0.8121454488200671
Energy: 0.8108663685438654
Energy: 0.7745915471464864
Energy: 0.8128945536948129
Energy: 0.7549093930567237
Energy: 0.8128945536982823
Energy: 0.8094893774490882
Energy: 0.8110830469328332
Energy: 1.125772152650332
Energy: 0.8110830469293638
Energy: 0.7573341233950694
Energy: 0.7552537951784002
Energy: 0.7545911488616969
Energy: 0.755253795182737
Energy: 0.7551182259936033
Energy: 0.7557338725398818
Energy: 0.7571492962528725
Energy: 0.7557338725390144
Energy: 0.7980835713461141
Energy: 0.842848739202443
Energy: 0.7559697591566743
Energy: 0.842848739202443
Energy: 0.8001516541620523
Energy: 0.8153420359657513
Energy: 0.9492107296635586
Energy: 0.8153420359883021
Energy: 0.7971914641187532
Energy: 0.816198360101682
Energy: 0.8222837074332222
Energy: 0.8161983601042839
Energy: 0.7978868120194681
Energy: 0.8352054885747677
Energy: 0.8084515370956842
Energy: 0.8352054885687358
Energy: 0.8212474257802402
Energy: 0.8411873165674939
Energy: 0.7989482671376612
Energy: 0.8411873165709632
Energy: 0.7752689938176439
Energy: 0.8151403082206016
Energy: 0.8244392554079761
Energy: 0.8151403082214689
Energy: 0.7752212094847738
Energy: 0.8166771474250932
Energy: 0.7971581668313292
Energy: 0.8166771474233585
Energy: 0.7558883937027898
Energy: 0.7553304549483273
Energy: 0.7744125543288275
Energy: 0.75533045494746
Energy: 0.7544327217923943
Energy: 0.7549334453250657
Energy: 0.7343643231377801
Energy: 0.7549334453268004
Energy: 0.7333286563236465
Energy: 0.8105457243382874
Energy: 0.8107671726608379
Energy: 0.8105457243365528
Energy: 0.7744056776297435
Energy: 0.7550950132809674
Energy: 0.7545782598862615
Energy: 0.7550950132835694
Energy: 0.8111609078489767
Energy: 0.811731029752768
Energy: 0.7550674126350867
Energy: 0.8117310297571046
Energy: 0.7571093730457529
Energy: 0.7554479604908608
Energy: 0.7953679405302574
Energy: 0.7554479604925954
Energy: 0.7551309735910757
Energy: 0.7580955664368282
Energy: 0.7569415825007615
Energy: 0.7580955664350935
Energy: 0.79861575776201
Energy: 0.7554851853280949
Energy: 0.7554919054740351
Energy: 0.755485185325493
Energy: 0.7970038202800852
Energy: 0.8170167487003187
Energy: 0.7955955137539588
Energy: 0.8170167487055225
Energy: 0.7955944560489786
Energy: 0.8164095248356456
Energy: 0.823206547236797
Energy: 0.8164095248356456
Energy: 0.7986817853043696
Energy: 0.8354619898282384
Energy: 0.8081768766289805
Energy: 0.8354619898212997
Energy: 0.7988624348231427
Energy: 0.8344531672257489
Energy: 0.7983609476734339
Energy: 0.8344531672318202
Energy: 0.7753679480173874
Energy: 0.8151327243031798
Energy: 0.8248125362654634
Energy: 0.8151327243040472
Energy: 0.7752101310533304
Energy: 0.815728781664582
Energy: 0.7977278168989914
Energy: 0.8157287816602453
Energy: 0.7554448472721121
Energy: 0.7559923358274163
Energy: 0.7738733685490856
Energy: 0.7559923358300183
Energy: 0.7543281804176619
Energy: 0.7549888921999678
Energy: 0.7341721391004371
Energy: 0.7549888921991004
Energy: 0.7332780794336372
Energy: 0.7574565150105081
Energy: 0.8111764905985616
Energy: 0.7574565150035695

minimum gb energy = 0.7332780794336372 eV
minimum distance =  2.28809497183065 Angstroms
sigma value = 25


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

Energy: 1.1752295125306378
Energy: 0.7716909114764386
Energy: 0.8570923625308646
Energy: 0.8578478940087907
Energy: 0.8217575547156627
Energy: 0.8511347627389843
Energy: 0.7955326850286174
Energy: 0.8511347627389843
Energy: 0.8565242408693517
Energy: 0.8570667481900529
Energy: 0.7928364318863943
Energy: 0.8570667481910613
Energy: 0.7963082145763455
Energy: 0.795893373166225
Energy: 0.7952646426906065
Energy: 0.7958933731672333
Energy: 0.7938915907183626
Energy: 0.796174870464937
Energy: 0.7953504180243092
Energy: 0.796174870464937
Energy: 0.8353171558766318
Energy: 0.895897341636856
Energy: 0.7954367747946685
Energy: 0.895897341636856
Energy: 0.8343390319791957
Energy: 0.8739969002606074
Energy: 0.832718478281922
Energy: 0.8739969002606074
Energy: 0.8327334595147629
Energy: 0.8734996157847592
Energy: 0.8244116386264316
Energy: 0.8734996157847592
Energy: 0.8337065451522918
Energy: 0.8743456562206715
Energy: 0.8226709826069742
Energy: 0.8743456562196631
Energy: 0.8354448636666898
Energy: 0.8735281027115143
Energy: 0.7957700389281849
Energy: 0.8735281027125225
Energy: 0.7657501966718405
Energy: 0.7955885373401661
Energy: 0.794241743199087
Energy: 0.7955885373411745
Energy: 0.7653872394650008
Energy: 0.7959219065902753
Energy: 0.7951806201867385
Energy: 0.7959219065892671
Energy: 0.8560788730916781
Energy: 0.8572888139050973
Energy: 0.7645100031868353
Energy: 0.8572888139050973
Energy: 0.7954481506411152
Energy: 0.7958902707079868
Energy: 0.8221037173055005
Energy: 0.7958902707069786
Energy: 0.7940647485892507
Energy: 0.8578752314852989
Energy: 0.8588871945384126
Energy: 0.8578752314863072
Energy: 0.7945679636717629
Energy: 0.7952584960507573
Energy: 0.7963910970853115
Energy: 0.7952584960517657
Energy: 0.7971174260704939
Energy: 0.7987487606407876
Energy: 0.7946148196076076
Energy: 0.7987487606407876
Energy: 0.7955941868487426
Energy: 0.7958386922529417
Energy: 0.7975879950787619
Energy: 0.7958386922519334
Energy: 0.8323328414174486
Energy: 0.8737333597778695
Energy: 0.8380420881270032
Energy: 0.8737333597768613
Energy: 0.7951884357149276
Energy: 0.8745291075907166
Energy: 0.8345590303552388
Energy: 0.8745291075907166
Energy: 0.8229852896936843
Energy: 0.8861417016321486
Energy: 0.8932751847318398
Energy: 0.8861417016321486
Energy: 0.8230241927469134
Energy: 0.8746127062844663
Energy: 0.8343975191393905
Energy: 0.874612706283458
Energy: 0.7939754738138465
Energy: 0.7961307305538126
Energy: 0.7653084166630529
Energy: 0.7961307305558291
Energy: 0.7949973161272018
Energy: 0.7961633601494668
Energy: 0.7654525190553698
Energy: 0.796163360150475
Energy: 0.7642103025750212
Energy: 0.7964965639655974
Energy: 0.8564268319711336
Energy: 0.7964965639655974

minimum gb energy = 0.7642103025750212 eV
minimum distance =  2.29560652994369 Angstroms
sigma value = 9


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

Energy: 1.0979700924681985
Energy: 0.7998437505022659
Energy: 0.9079572802345826
Energy: 0.9073669912274582
Energy: 0.8735754569251213
Energy: 0.8870110214699685
Energy: 0.8401597310944648
Energy: 0.8870110214699685
Energy: 0.9071949085146848
Energy: 0.9071760756422118
Energy: 0.9044542299612623
Energy: 0.9071760756386034
Energy: 0.8351518054436686
Energy: 0.8874210286273483
Energy: 0.8394342569348041
Energy: 0.8874210286309565
Energy: 0.8351392664626184
Energy: 0.8427122122466616
Energy: 0.8384967258751256
Energy: 0.8427122122454587
Energy: 0.8336793460738413
Energy: 0.8420549985429886
Energy: 0.8406288197767131
Energy: 0.8420549985393804
Energy: 0.8811602452039332
Energy: 0.9447445489838704
Energy: 0.8392630725917867
Energy: 0.9447445489814649
Energy: 0.8408207781404619
Energy: 0.9414128427415331
Energy: 0.8408573459239346
Energy: 0.9414128427403304
Energy: 0.8401819973683232
Energy: 0.8434786031926745
Energy: 0.7923554470830438
Energy: 0.8434786031938774
Energy: 0.8404415193072124
Energy: 0.8432505781588437
Energy: 0.7924619607185167
Energy: 0.8432505781588437
Energy: 0.7906819229859193
Energy: 0.9062639764651199
Energy: 0.9057667854298461
Energy: 0.9062639764651199
Energy: 0.8749251704984121
Energy: 0.8427617466699824
Energy: 0.840333187731868
Energy: 0.8427617466699824
Energy: 0.9077940151953864
Energy: 0.9069691870612769
Energy: 0.9047877951506204
Energy: 0.9069691870600741
Energy: 0.906905687956311
Energy: 0.8881928500682092
Energy: 0.905660756966142
Energy: 0.8881928500682092
Energy: 0.8355222944936763
Energy: 0.8364311096348875
Energy: 0.8395983113747596
Energy: 0.8364311096336848
Energy: 0.8339518077343212
Energy: 0.8429985778093706
Energy: 0.839232548985109
Energy: 0.8429985778105733
Energy: 0.8729522720599437
Energy: 0.9470006613283825
Energy: 0.8386274156659771
Energy: 0.9470006613295852
Energy: 0.8714506599111334
Energy: 0.9444357491348822
Energy: 0.8402464420190942
Energy: 0.9444357491336793
Energy: 0.840051860983694
Energy: 0.8438495772999957
Energy: 0.7922862895521453
Energy: 0.8438495773011985
Energy: 0.8402921294317742
Energy: 0.8433151899876901
Energy: 0.7926424114739636
Energy: 0.8433151899876901
Energy: 0.7900960028487818
Energy: 0.8343213831219317
Energy: 0.9058984378960596
Energy: 0.8343213831267429

minimum gb energy = 0.7900960028487818 eV
minimum distance =  2.31365727242688 Angstroms
sigma value = 25


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

Energy: 0.9877182749517665
Energy: 0.82405004737937
Energy: 0.9607941508599701
Energy: 0.96032108012915
Energy: 0.9558012700958727
Energy: 0.8871464552439418
Energy: 0.8395355211991176
Energy: 0.8871464552454293
Energy: 0.9599510735550535
Energy: 0.9601365402950204
Energy: 0.9676150081238256
Energy: 0.9601365402965076
Energy: 0.9611085193636519
Energy: 0.887933488730054
Energy: 0.8392974738309846
Energy: 0.8879334887315414
Energy: 0.8348835718546992
Energy: 0.8392573061704847
Energy: 0.8416389730211244
Energy: 0.839257306180897
Energy: 0.8179637648211601
Energy: 0.8409446790098535
Energy: 0.8372618996688553
Energy: 0.8409446790098535
Energy: 0.8143389958353585
Energy: 0.839190140064215
Energy: 0.8402816793903308
Energy: 0.8391901400701649
Energy: 0.8149049640648978
Energy: 0.8886737742674528
Energy: 0.8421044030261639
Energy: 0.8886737742689401
Energy: 0.958052346487724
Energy: 0.9585018204764716
Energy: 1.0949072276925627
Energy: 0.9585018204764716
Energy: 0.9608776249055245
Energy: 0.8912671917736618
Energy: 0.9552051828796345
Energy: 0.8912671917721744
Energy: 0.9678865871342466
Energy: 0.9595122957449472
Energy: 0.9647770065187067
Energy: 0.9595122957449472
Energy: 0.9573296990922863
Energy: 0.88980524539276
Energy: 0.9588791411870727
Energy: 0.8898052453912725
Energy: 0.8381229427724027
Energy: 0.821288261494502
Energy: 0.8350139713514807
Energy: 0.821288261494502
Energy: 0.8408404510973244
Energy: 0.8398012904358145
Energy: 0.8198817794817461
Energy: 0.8398012904075527
Energy: 0.8399644010918005
Energy: 0.9251943080890059
Energy: 0.8148964866245415
Energy: 0.9251943080904934
Energy: 0.8384699138670987
Energy: 0.8390523144549822
Energy: 0.8148665027426045
Energy: 0.8390523144549822
Energy: 1.0934116839777641
Energy: 0.8197209915737196
Energy: 0.9568479416646611
Energy: 0.819720991575207

minimum gb energy = 0.8143389958353585 eV
minimum distance =  2.35642049440363 Angstroms
sigma value = 17


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

Energy: 1.3557341511699683
Energy: 0.9734249073923593
Energy: 1.06184255186742
Energy: 1.0624668429004165
Energy: 0.8392993242589901
Energy: 0.9113328482722508
Energy: 0.9966106697417293
Energy: 0.9113328482714085
Energy: 0.9058631459379543
Energy: 0.9060389150792733
Energy: 1.0627144120363825
Energy: 0.9060389150801156
Energy: 0.90635632866983
Energy: 0.9073526780625489
Energy: 0.9065455655550217
Energy: 0.907352678068446
Energy: 0.9057582491652867
Energy: 0.9407096200697588
Energy: 0.8422811678406417
Energy: 0.9407096200697588
Energy: 0.9040173555602699
Energy: 0.8983417122280394
Energy: 0.9055878489111556
Energy: 0.8983417122297241
Energy: 0.9630763112702686
Energy: 0.9040831314690237
Energy: 0.9025327875427884
Energy: 0.9040831314673389
Energy: 1.1499471706749878
Energy: 0.9083255455880199
Energy: 0.8605510684713271
Energy: 0.9083255455880199
Energy: 1.0667194732516065
Energy: 1.0589280523680091
Energy: 1.0608451102345329
Energy: 1.0589280523680091
Energy: 1.0561726382791397
Energy: 0.9651270074517685
Energy: 0.907303698427212
Energy: 0.9651270074509262
Energy: 0.902976578891277
Energy: 0.8610845169242922
Energy: 0.8549329007029888
Energy: 0.8610845169209226
Energy: 0.9705420231330361
Energy: 0.8574257979703016
Energy: 0.861282597440971
Energy: 0.8574257979719864
Energy: 0.9640483852235883
Energy: 0.8582190834072778
Energy: 0.8595976472706837
Energy: 0.8582190833685642
Energy: 0.9647128527112089
Energy: 0.8565294661814606
Energy: 0.8562175392001874
Energy: 0.8565294661814606
Energy: 1.0595971820945995
Energy: 0.9760316570754662
Energy: 1.1466092357713726
Energy: 0.9760316570746239
Energy: 1.0707070886039578
Energy: 1.0604889631504606
Energy: 1.1488778173014864
Energy: 1.060488963151303
Energy: 1.057755911649205
Energy: 0.9041257353917228
Energy: 0.9051274006910748
Energy: 0.9041257353925652
Energy: 1.0573429359562232
Energy: 0.9041870614762039
Energy: 0.9028813372242105
Energy: 0.9041870614762039
Energy: 0.9046927185117721
Energy: 0.9399181174835826
Energy: 0.9059661828006776
Energy: 0.9399181174852674
Energy: 0.9347579769212279
Energy: 0.8976601392199676
Energy: 0.9056920684040091
Energy: 0.8976601392191252
Energy: 0.9036678068996458
Energy: 0.9048355560561993
Energy: 1.0586559021350932
Energy: 0.9048355560570417
Energy: 0.9050910116701479
Energy: 0.9060631462853073
Energy: 0.9631870610884019
Energy: 0.9060631462853073
Energy: 0.9968750618880304
Energy: 0.9678807869247039
Energy: 0.9956037881181589
Energy: 0.9678807869272311
Energy: 1.05965048386405
Energy: 1.059831308989143
Energy: 1.0593425147443771
Energy: 1.059831308989143
Energy: 0.8626341654252502
Energy: 0.8580125778270615
Energy: 1.0605818078933154
Energy: 0.858012577827904
Energy: 0.8620134437702599
Energy: 0.8571080944738899
Energy: 0.9025401153793879
Energy: 0.8571080944494596
Energy: 0.8545552270559585
Energy: 0.859104711080418
Energy: 0.9732847617828618
Energy: 0.859104711080418
Energy: 0.8598223772493369
Energy: 0.8577032151986198
Energy: 0.9640035640026623
Energy: 0.8577032151994622
Energy: 0.8583395157359013
Energy: 0.9064332313184241
Energy: 0.9643071330213581
Energy: 0.9064332313184241
Energy: 1.1511033660981795
Energy: 1.0606851314225167
Energy: 1.0607567457948706
Energy: 1.0606851314242018

minimum gb energy = 0.8392993242589901 eV
minimum distance =  2.31986495001725 Angstroms
sigma value = 53


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

Energy: 1.2410924304557738
Energy: 0.8079176017997542
Energy: 0.9847357383772626
Energy: 0.9860746125191565
Energy: 1.119918133070726
Energy: 0.8606086681302189
Energy: 0.9647792225494453
Energy: 0.8606086681302189
Energy: 0.9824315997443896
Energy: 0.9677550574438281
Energy: 0.9696017741862919
Energy: 0.9677550574418888
Energy: 0.9686992053175646
Energy: 0.8615044356096838
Energy: 0.9672924820607977
Energy: 0.8615044356116233
Energy: 0.9758608893042218
Energy: 0.8609450077229539
Energy: 0.8019860300173276
Energy: 0.8609450077268328
Energy: 0.9671270491125011
Energy: 0.8622501040457641
Energy: 0.8054356363965927
Energy: 0.8622501040477036
Energy: 1.1219023881417607
Energy: 0.9656189170350742
Energy: 0.9639795933420721
Energy: 0.9656189170311953
Energy: 1.1219844551613112
Energy: 0.8623918170606968
Energy: 0.9715200082843038
Energy: 0.8623918170568181
Energy: 0.967673135756241
Energy: 0.9670353840415647
Energy: 0.9698347632670439
Energy: 0.9670353840396254
Energy: 0.963137656087381
Energy: 0.8624378445077653
Energy: 0.9652875970054733
Energy: 0.8624378445077653
Energy: 0.9760209453428992
Energy: 0.864792279175702
Energy: 0.8068250470113524
Energy: 0.8647922791776415
Energy: 0.9666422228546766
Energy: 0.8609520160591612
Energy: 0.7981110343406231
Energy: 0.8609520160630401
Energy: 1.1220411675834865
Energy: 0.8637712113873312
Energy: 0.9708624444427068
Energy: 0.8637712113873312

minimum gb energy = 0.7981110343406231 eV
minimum distance =  2.34132114844465 Angstroms
sigma value = 9


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

Energy: 1.2090914348660795
Energy: 0.9955958352645194
Energy: 1.1129778309986291
Energy: 1.1100159633110216
Energy: 0.9364274588622503
Energy: 0.8814751276029347
Energy: 1.079306764663261
Energy: 0.8814751276036525
Energy: 0.882523122557453
Energy: 0.8823865689210358
Energy: 1.0666515594667212
Energy: 0.8823865689217536
Energy: 0.8817900513784345
Energy: 0.8820533504400905
Energy: 1.151320424734414
Energy: 0.8820533504400905
Energy: 0.880254174320398
Energy: 0.8809750763926392
Energy: 1.1475915723502472
Energy: 0.8809750763926392
Energy: 0.8803129809224773
Energy: 0.8814372291718583
Energy: 1.152924898294843
Energy: 0.8814372291711405
Energy: 1.0802802255392494
Energy: 1.067815231934224
Energy: 1.077211230491636
Energy: 1.067815231934224
Energy: 1.0779677769593916
Energy: 0.9818590374609198
Energy: 1.0691352277437307
Energy: 0.9818590374602021
Energy: 0.9330401387420243
Energy: 0.9931243526285671
Energy: 0.9544403703213845
Energy: 0.9931243526300028
Energy: 0.8821169698140304
Energy: 0.9765702619430778
Energy: 1.0685302463142892
Energy: 0.9765702619445135
Energy: 0.9327901087390049
Energy: 0.9339146472762389
Energy: 1.0166492394074707
Energy: 0.9339146472762389
Energy: 0.9412538654061743
Energy: 0.9330034803527165
Energy: 1.146034540095565
Energy: 0.9330034803519988
Energy: 1.080509063212941
Energy: 0.9329925930055778
Energy: 0.9469642110439003
Energy: 0.9329925930055778
Energy: 1.083501337751052
Energy: 0.9320264431933356
Energy: 0.9326998835030986
Energy: 0.9320264431933356
Energy: 1.0692121693336225
Energy: 0.944681213916082
Energy: 0.9367278720690275
Energy: 0.944681213916082
Energy: 0.9878329753693889
Energy: 0.9924534799995639
Energy: 0.9377489556461257
Energy: 0.9924534799995639
Energy: 1.0703214856099539
Energy: 0.8822115827715717
Energy: 0.9354087958336132
Energy: 0.8822115827708539
Energy: 1.0717566834215937
Energy: 1.0690088403211506
Energy: 1.2066344496565256
Energy: 1.0690088403211506
Energy: 1.0842030876119246
Energy: 0.881336906996792
Energy: 0.9364370410278677
Energy: 0.8813369069996633
Energy: 1.1219999839942842
Energy: 0.8832951619761272
Energy: 0.882605708074768
Energy: 0.8832951619754095
Energy: 1.158846434116892
Energy: 0.8818798467705006
Energy: 0.8810498132264024
Energy: 0.8818798467690647
Energy: 1.1502308392979939
Energy: 0.8809317209971803
Energy: 0.8798258628382722
Energy: 0.8809317209892843
Energy: 1.147609640309874
Energy: 0.8815668631740016
Energy: 0.8798505221660554
Energy: 0.8815668631732838
Energy: 1.0780449477452565
Energy: 1.069614274516196
Energy: 1.0799408348060244
Energy: 1.0696142745197852
Energy: 1.070089413039548
Energy: 0.9838481477721989
Energy: 1.0775143166553902
Energy: 0.9838481477721989
Energy: 0.942365190937545
Energy: 0.9902950874220883
Energy: 0.9320416438468538
Energy: 0.9902950874213704
Energy: 1.0699811496236256
Energy: 0.9630886742494882
Energy: 0.882131510748881
Energy: 0.963088674250206
Energy: 1.0159045190460414
Energy: 0.9247150686498419
Energy: 0.9319412733644025
Energy: 0.9247150686484062
Energy: 1.1468815172188482
Energy: 0.9394253958688712
Energy: 0.939810207071427
Energy: 0.9394253958681535
Energy: 0.9483251714338141
Energy: 0.9235425173095214
Energy: 1.0784046545136106
Energy: 0.9235425173095214
Energy: 0.9345707442115705
Energy: 0.9327087882796022
Energy: 1.0654566853296503
Energy: 0.9327087882788845
Energy: 0.934508346470259
Energy: 0.926297328497992
Energy: 1.0703040611493775
Energy: 0.9262973284958385
Energy: 0.9396726957699563
Energy: 0.9903381330620427
Energy: 0.9875758290340872
Energy: 0.9903381330620427
Energy: 0.9337729077329093
Energy: 0.8828844259567972
Energy: 0.9902090869751033
Energy: 0.8828844259517725
Energy: 1.146677536649232
Energy: 1.068945206638605
Energy: 1.0700746718157361
Energy: 1.068945206638605

minimum gb energy = 0.8798258628382722 eV
minimum distance =  2.28447629805514 Angstroms
sigma value = 73


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

Energy: 1.3136635818242381
Energy: 0.9450270854777862
Energy: 1.070464150363443
Energy: 1.0106941824798448
Energy: 0.9469193390678389
Energy: 0.9038480038584871
Energy: 1.017462169249404
Energy: 0.9038480038584871
Energy: 0.8995214531917582
Energy: 0.9013644522785621
Energy: 1.0555162785483052
Energy: 0.9013644522785621
Energy: 0.8980976199425931
Energy: 0.9008076901525973
Energy: 1.1351831631346923
Energy: 0.9008076901525973
Energy: 0.900935807832915
Energy: 0.9044107426827547
Energy: 1.1334135286515132
Energy: 0.9044107426827547
Energy: 0.9703515670864753
Energy: 0.9047825967398719
Energy: 1.1331400735884631
Energy: 0.9047825967364553
Energy: 1.019041811470896
Energy: 1.0496334574937698
Energy: 1.0604538289872854
Energy: 1.049633457492631
Energy: 1.0188833078272883
Energy: 1.004071196808418
Energy: 1.0500359588171622
Energy: 1.004071196807279
Energy: 0.9545795806984282
Energy: 1.0057587081491044
Energy: 1.0521559498654505
Energy: 1.0057587081479655
Energy: 0.9541609920299557
Energy: 0.9287199681802891
Energy: 1.04804787391539
Energy: 0.9287199681791503
Energy: 0.9394156196258661
Energy: 0.8799724938435001
Energy: 1.049527436933327
Energy: 0.8799724938446389
Energy: 0.9355657240893951
Energy: 0.8808548246512609
Energy: 1.1118027293626167
Energy: 0.8808548246523997
Energy: 1.0528260066615234
Energy: 0.9492566404407475
Energy: 0.938768365170409
Energy: 0.9492566404407475
Energy: 1.0525781737630346
Energy: 0.9397656935536104
Energy: 0.936524521307864
Energy: 0.9397656935547491
Energy: 1.0697132031940664
Energy: 0.9924749601602626
Energy: 0.9341159212760569
Energy: 0.9924749601591237
Energy: 1.1332664187038128
Energy: 0.9366998028624484
Energy: 0.9341409819436156
Energy: 0.9366998028658651
Energy: 1.1340633315816957
Energy: 0.997924607665554
Energy: 0.9362193203477046
Energy: 0.9979246076666929
Energy: 1.0215804211520898
Energy: 1.0213166236828424
Energy: 1.0199069537821444
Energy: 1.0213166236817035
Energy: 1.0152667586610316
Energy: 0.97039900411411
Energy: 1.0193026421561089
Energy: 0.9703990041163878
Energy: 1.0330519466725123
Energy: 0.9696998565736348
Energy: 1.0106378078586726
Energy: 0.9696998565736348
Energy: 1.0156962642626644
Energy: 0.9720375998840155
Energy: 0.9379021540480463
Energy: 0.9720375998828766
Energy: 1.131641919117092
Energy: 1.0111222821236918
Energy: 1.0115903952593823
Energy: 1.0111222821248305

minimum gb energy = 0.8799724938435001 eV
minimum distance =  2.27635953105871 Angstroms
sigma value = 7


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

Energy: 1.6906572030922034
Energy: 0.9618229201242839
Energy: 1.0835467311916096
Energy: 1.0120297360885524
Energy: 0.950137615691846
Energy: 0.9164411069733758
Energy: 1.1222049761383293
Energy: 0.9164411069701547
Energy: 0.9075339256291461
Energy: 0.9101168442997878
Energy: 1.0546441867142946
Energy: 0.9101168442917347
Energy: 0.9075264935848686
Energy: 0.9102586550504868
Energy: 1.1220509452347507
Energy: 0.910258655053708
Energy: 0.9082686115255136
Energy: 0.9097013888014239
Energy: 1.1068784120556683
Energy: 0.9097013888022292
Energy: 0.9668855393690743
Energy: 0.9117559586031547
Energy: 1.1043397995384239
Energy: 0.9117559585991282
Energy: 1.1281588010738541
Energy: 0.9117054204546141
Energy: 0.9165896027108559
Energy: 0.9117054204538089
Energy: 1.133136177543129
Energy: 0.9140521828807202
Energy: 0.9118079819770072
Energy: 0.9140521828839415
Energy: 1.1022135651552964
Energy: 0.9166557990705667
Energy: 0.9145083897766736
Energy: 0.916655799063319
Energy: 1.0426737581897103
Energy: 0.9133755102706186
Energy: 0.9106068798609506
Energy: 0.9133755102722293
Energy: 1.116467939113318
Energy: 0.940015264762273
Energy: 0.9493509288759789
Energy: 0.9400152647614677
Energy: 1.0365318740397218
Energy: 1.0391671163377145
Energy: 1.0717975953618255
Energy: 1.0391671163409357
Energy: 1.0353742379809494
Energy: 0.9441790594312836
Energy: 0.9667098306684752
Energy: 0.944179059427257
Energy: 1.0391729619922474
Energy: 0.9575906450079995
Energy: 0.9593760202379789
Energy: 0.9575906450063889
Energy: 1.0456919428533331
Energy: 0.9573677419855906
Energy: 0.9568264474645037
Energy: 0.9573677419855906
Energy: 1.140781065645878
Energy: 0.915141648839982
Energy: 0.9668026449248115
Energy: 0.9151416488407873
Energy: 1.145224615805837
Energy: 0.9180662916905011
Energy: 1.0849114612402078
Energy: 0.9180662916921118
Energy: 0.9379969596671274
Energy: 0.9803158992797201
Energy: 1.0562293225063153
Energy: 0.9803158992773041
Energy: 0.9446040316333167
Energy: 0.8942639547728524
Energy: 1.0830454052862204
Energy: 0.8942639547712418
Energy: 0.9413849858296188
Energy: 0.9413629938430369
Energy: 1.0787633625386266
Energy: 0.9413629938422315
Energy: 0.9955916191569035
Energy: 0.9383651219949651
Energy: 1.1118579797387205
Energy: 0.9383651219885594
Energy: 1.128034757122247
Energy: 0.9154612113930793
Energy: 1.0888886313200423
Energy: 0.91546121139469
Energy: 1.128086418717461
Energy: 0.9137393232275551
Energy: 0.9119250017145499
Energy: 0.9137393232291656
Energy: 1.1046214301150092
Energy: 0.9126571642549687
Energy: 0.9101299181716169
Energy: 0.9126571642549687
Energy: 1.0408461813601368
Energy: 0.913196539755724
Energy: 0.9104584447904891
Energy: 0.913196539755724
Energy: 1.100544849718404
Energy: 0.9163970739799685
Energy: 0.9136240751020528
Energy: 0.9163970739848003
Energy: 1.0834667845355206
Energy: 1.0102033200212128
Energy: 1.4510016317946628
Energy: 1.0102033200244338
Energy: 1.0063083714843566
Energy: 0.9718450556891723
Energy: 1.012229836072251
Energy: 0.9718450556899778
Energy: 1.0147092287750834
Energy: 0.9711403524406987
Energy: 1.0057110942761396
Energy: 0.9711403524366723
Energy: 1.0111364040866861
Energy: 0.9777162776015019
Energy: 0.9593921531765918
Energy: 0.9777162776023073
Energy: 1.0735334831424532
Energy: 1.0105316740207855
Energy: 1.0079728710278109
Energy: 1.0105316740255808

minimum gb energy = 0.8942639547712418 eV
minimum distance =  2.28769307838782 Angstroms
sigma value = 29


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

Energy: 0.8626010175960155
Energy: 0.8659010196835983
Energy: 0.8854282500222211
Energy: 0.9371898286263175
Energy: 0.8723778275417916
Energy: 0.9518230896534685
Energy: 0.8799498459159513
Energy: 0.951823089653749
Energy: 0.8762402571628595
Energy: 0.9333653105222816
Energy: 0.8651885265727678
Energy: 0.9333653105236529
Energy: 0.8702616022031238
Energy: 0.8787012692491197
Energy: 0.8781726720172361
Energy: 0.8787012692480289
Energy: 0.8762134259939475
Energy: 0.8821079679514037
Energy: 0.8686076899769613
Energy: 0.8821079679522141
Energy: 0.8777807767647243
Energy: 0.9428002362681911
Energy: 0.8700455112201241
Energy: 0.9428002362690016
Energy: 0.8648706831531198
Energy: 0.9313668831264007
Energy: 0.8761942341213332
Energy: 0.9313668831261513
Energy: 0.8793584394619987
Energy: 0.8837019198326574
Energy: 0.8753647947894012
Energy: 0.8837019198351508
Energy: 0.8719760410789936
Energy: 0.8795288368146681
Energy: 0.878693308187246
Energy: 0.8795288368103047

minimum gb energy = 0.8626010175960155 eV
minimum distance =  2.31303392468495 Angstroms
sigma value = 5


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

Energy: 1.2432945363569998
Energy: 0.8233437609754392
Energy: 1.0215651600207356
Energy: 0.8543113656431703
Energy: 0.872586537456639
Energy: 0.8524209908485875
Energy: 1.001138309881861
Energy: 0.8524209908485875
Energy: 1.0008996776021064
Energy: 0.9239532065719336
Energy: 1.004145242005587
Energy: 0.9239532065719336
Energy: 0.8737103705316749
Energy: 0.8499720698029982
Energy: 0.9909885225113323
Energy: 0.8499720698029982
Energy: 0.9883800368536165
Energy: 0.8486113574825843
Energy: 0.9977341116707514
Energy: 0.8486113574818237
Energy: 0.8488821685966377
Energy: 0.8494140134930037
Energy: 0.9980447633807069
Energy: 0.8494140134937644
Energy: 0.8486166765680315
Energy: 0.848734606007988
Energy: 0.9917566549750313
Energy: 0.848734606007988
Energy: 0.856789542025344
Energy: 0.8529964401076042
Energy: 1.1043728165389708
Energy: 0.8529964401076042
Energy: 0.8770566324057255
Energy: 0.8756709213117544
Energy: 1.1126915058613642
Energy: 0.8756709213117544
Energy: 1.055749332108601
Energy: 0.8268070081810012
Energy: 0.832636276836718
Energy: 0.8268070081817619
Energy: 0.8760597617990997
Energy: 0.8254838774145201
Energy: 0.8272408160759889
Energy: 0.8254838774152806
Energy: 1.113946109418789
Energy: 0.8243356820172982
Energy: 0.8242269612123804
Energy: 0.8243356820165374
Energy: 1.1000381307597698
Energy: 0.8251114488094115
Energy: 0.8242421826040599
Energy: 0.8251114488094115
Energy: 0.8755881050519303
Energy: 0.8729695476138449
Energy: 1.0008351337451202
Energy: 0.8729695476130842
Energy: 0.8513125448870245
Energy: 0.8489919910958255
Energy: 0.9985048057647861
Energy: 0.8489919910958255
Energy: 0.8522201611200573
Energy: 0.8512275555263208
Energy: 0.9895599649228661
Energy: 0.851227555527842
Energy: 0.8495587923863441
Energy: 0.8490945103923152
Energy: 0.8716465453991336
Energy: 0.8490945103915547
Energy: 1.0087883535081859
Energy: 0.8536109769530859
Energy: 0.8730408541298491
Energy: 0.8536109769530859
Energy: 1.0061313688736613
Energy: 0.9256100756863003
Energy: 1.0017966291912714
Energy: 0.9256100756855395
Energy: 0.9920946832621304
Energy: 0.928879897072379
Energy: 0.8713146432407409
Energy: 0.9288798970716182
Energy: 0.9972917640400863
Energy: 0.8520426255454534
Energy: 0.9904115613421023
Energy: 0.8520426255462141
Energy: 0.997869968717119
Energy: 0.8485623933647766
Energy: 0.8492173023278249
Energy: 0.8485623933678194
Energy: 0.9911256444318374
Energy: 0.8492705218026679
Energy: 0.8498936038980301
Energy: 0.8492705218019073
Energy: 1.1025965692905382
Energy: 0.8514689170485532
Energy: 0.8534613498719573
Energy: 0.8514689170485532
Energy: 1.114866544872431
Energy: 0.8730620011520415
Energy: 0.8757138582798887
Energy: 0.8730620011535628
Energy: 0.8248893445395398
Energy: 0.827948254562355
Energy: 1.0558900848428256
Energy: 0.8279482545608338
Energy: 0.8306521843111152
Energy: 0.8267433251122362
Energy: 0.8771853211793893
Energy: 0.826743325112997
Energy: 0.8249891365295079
Energy: 0.8271905995738303
Energy: 0.9064235828061157
Energy: 0.827190599574591
Energy: 0.8236323745818227
Energy: 0.8262417477721316
Energy: 1.1011373590919753
Energy: 0.8262417477721316
Energy: 0.9995916650358059
Energy: 0.8725272215273808
Energy: 0.8746266513299973
Energy: 0.8725272215266201
Energy: 0.9999005968116089
Energy: 0.849859959399048
Energy: 0.850187716222989
Energy: 0.8498599593967658
Energy: 0.9896698780767058
Energy: 0.8503056234146095
Energy: 0.8494683465633609
Energy: 0.8503056234146095
Energy: 0.8732490590533853
Energy: 0.849115585142157
Energy: 0.8488130135624172
Energy: 0.8491155851413963

minimum gb energy = 0.8233437609754392 eV
minimum distance =  2.28383517411125 Angstroms
sigma value = 1


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

Energy: 1.3434924497044345
Energy: 0.7744100412977222
Energy: 0.9855498819528984
Energy: 0.8052046066213485
Energy: 0.8344197540585572
Energy: 0.8068727158696322
Energy: 1.012688674834049
Energy: 0.8068727158685804
Energy: 1.0134552271190034
Energy: 0.9001795486497866
Energy: 1.015719281276945
Energy: 0.9001795486518662
Energy: 0.8307672687859443
Energy: 0.9010833374406533
Energy: 1.0005676743238863
Energy: 0.9010833374396015
Energy: 0.8044025048042308
Energy: 0.8032667586387252
Energy: 0.9966828389359135
Energy: 0.8032667586376734
Energy: 0.8024642051977361
Energy: 0.8040361532618543
Energy: 0.9960565821409239
Energy: 0.8040361532608025
Energy: 0.8008117687826758
Energy: 0.8025237470226347
Energy: 1.0018666459273675
Energy: 0.802523747021583
Energy: 0.8107504817541906
Energy: 0.8095657068570258
Energy: 1.165313609533852
Energy: 0.809565706855974
Energy: 1.0014205109553835
Energy: 0.845181992729965
Energy: 1.164895447964088
Energy: 0.845181992729965
Energy: 1.008794297715274
Energy: 0.8102567572851914
Energy: 0.8082012548240405
Energy: 0.8102567572893987
Energy: 1.0031569390803592
Energy: 0.8028906278412912
Energy: 0.8011054893658409
Energy: 0.8028906278412912
Energy: 1.1611519068693805
Energy: 0.8138626921626684
Energy: 0.8034624351199338
Energy: 0.8138626921616166
Energy: 1.1609900023386126
Energy: 0.8036009119453373
Energy: 0.8033180317287683
Energy: 0.8036009119442856
Energy: 0.9998520000184313
Energy: 0.9012274757762941
Energy: 1.0144695465677878
Energy: 0.9012274757762941
Energy: 0.8319122406717985
Energy: 0.8990367965737099
Energy: 1.0134876625930773
Energy: 0.8990367965747617
Energy: 0.8309264646701033
Energy: 0.8055341519974967
Energy: 1.0026025575975617
Energy: 0.8055341519964448
Energy: 0.8029674203311655
Energy: 0.8042548366139156
Energy: 1.0100890530378661
Energy: 0.8042548366139156
Energy: 0.8209513426871945
Energy: 0.8089242150087386
Energy: 0.9999027447059526
Energy: 0.8089242150108421
Energy: 0.8009496777520989
Energy: 0.8030896314614417
Energy: 1.1651003611562996
Energy: 0.8030896314593382
Energy: 0.8047277121772771
Energy: 0.8159078926401462
Energy: 1.1655405163503838
Energy: 0.8159078926433015
Energy: 1.0098062220741042
Energy: 0.8416396671369873
Energy: 1.0031532814173565
Energy: 0.8416396671380391
Energy: 1.0109084463579203
Energy: 0.805466334522068
Energy: 0.8077769092246359
Energy: 0.8054663345231199
Energy: 1.0015951691813705
Energy: 0.8030864677373557
Energy: 0.8028596208299329
Energy: 0.8030864677373557
Energy: 1.1613854867121614
Energy: 0.8037097631612884
Energy: 0.8022519237302361
Energy: 0.8037097631623402

minimum gb energy = 0.7744100412977222 eV
minimum distance =  2.28923889926434 Angstroms
sigma value = 17


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

Energy: 1.4512129984593065
Energy: 0.7778785045083699
Energy: 0.9871542869429484
Energy: 0.8019388724704039
Energy: 0.8159503070902361
Energy: 0.7985985279036755
Energy: 0.929010328640794
Energy: 0.7985985279023754
Energy: 1.032685965209792
Energy: 0.7952520217336118
Energy: 0.9562420918052025
Energy: 0.7952520217355621
Energy: 1.0398935955683537
Energy: 0.8422161266362842
Energy: 0.919859625156171
Energy: 0.8422161266362842
Energy: 0.9026051894353622
Energy: 0.7768538282947124
Energy: 1.0484228893317966
Energy: 0.7768538282940624
Energy: 0.777791347231233
Energy: 0.7767480138055906
Energy: 1.0356965858431948
Energy: 0.7767480138062407
Energy: 0.7775161047763888
Energy: 0.7763363773175505
Energy: 0.8141680985188442
Energy: 0.7763363773201509
Energy: 0.7849713494519807
Energy: 0.7786055076979954
Energy: 0.9125305032710875
Energy: 0.7786055076979954
Energy: 1.0450727728874474
Energy: 0.7794821261617757
Energy: 1.0315755417449217
Energy: 0.7794821261604755
Energy: 0.9649881834170462
Energy: 0.845288036281091
Energy: 0.9419173168873102
Energy: 0.8452880362784905
Energy: 1.041101542381781
Energy: 0.7950413215841514
Energy: 0.8103836397542707
Energy: 0.7950413215848015
Energy: 1.0447625458064456
Energy: 0.8105295135530324
Energy: 0.9228262052777191
Energy: 0.8105295135549827
Energy: 1.034634207256895
Energy: 0.7946628074277479
Energy: 0.7950634620236617
Energy: 0.7946628074270977
Energy: 0.930874922518886
Energy: 0.7947641615347606
Energy: 0.7967910339698445
Energy: 0.7947641615354106
Energy: 1.089712318981173
Energy: 0.797346044272204
Energy: 0.804376524628962
Energy: 0.7973460442741543
Energy: 1.0447115767142858
Energy: 0.7952613990678137
Energy: 0.7982226519134297
Energy: 0.7952613990639131
Energy: 0.7950620586329676
Energy: 0.9025477032562581
Energy: 0.9952142573069903
Energy: 0.9025477032556081
Energy: 0.7946464961458743
Energy: 0.7945345384559089
Energy: 1.045373442144666
Energy: 0.7945345384578593
Energy: 0.8096139697763137
Energy: 0.8012917840383593
Energy: 0.9232456493383434
Energy: 0.8012917840383593
Energy: 0.7968521549571911
Energy: 0.7947184673776831
Energy: 0.9154876441982345
Energy: 0.7947184673737825
Energy: 0.9467882615838812
Energy: 0.7971459702988817
Energy: 0.7957801635666935
Energy: 0.7971459702975815
Energy: 0.9555976281539657
Energy: 0.800808851937726
Energy: 1.0839872040841927
Energy: 0.8008088519383761
Energy: 0.9200595882678672
Energy: 0.8401336711136608
Energy: 1.0917436799148224
Energy: 0.8401336711143108
Energy: 1.048901290137541
Energy: 0.7779731431097535
Energy: 0.9022004298114015
Energy: 0.7779731431123539
Energy: 1.0450907811317711
Energy: 0.7765768557568213
Energy: 0.7768648823472702
Energy: 0.776576855755521
Energy: 0.9216706453480039
Energy: 0.7772697739340139
Energy: 0.7801342278063337
Energy: 0.7772697739327137
Energy: 0.9156663916086841
Energy: 0.779912877102033
Energy: 0.7858561575458517
Energy: 0.779912877102033
Energy: 0.9229104478210783
Energy: 0.7793676059496512
Energy: 1.0490157410982932
Energy: 0.7793676059477009
Energy: 0.9289985590832339
Energy: 0.8440836164232769
Energy: 0.9561057223088003
Energy: 0.8440836164278276
Energy: 0.8115390488846245
Energy: 0.7948492049700441
Energy: 1.0392692741700273
Energy: 0.7948492050492967
Energy: 0.9206424909487849
Energy: 0.7952329640160037
Energy: 1.034652072173288
Energy: 0.7952329640153537
Energy: 0.7945442228206185
Energy: 0.79484301620607
Energy: 1.034932324388874
Energy: 0.7948430162054199
Energy: 0.7945465555495935
Energy: 0.7940409844893306
Energy: 0.932047206377401
Energy: 0.7940409844847798
Energy: 0.8027903838179642
Energy: 0.7992046485839988
Energy: 1.0379192769060317
Energy: 0.7992046485846489
Energy: 0.936516997769411
Energy: 0.8190915733142966
Energy: 1.0445644662116997
Energy: 0.8190915733155967
Energy: 1.2870467947486663
Energy: 0.8061925446024518
Energy: 0.7960825275321266
Energy: 0.8061925446018017
Energy: 1.0422813723184357
Energy: 0.7944858602826542
Energy: 0.7950930953402674
Energy: 0.7944858602813542
Energy: 1.032015343770925
Energy: 0.8007833539068022
Energy: 0.7963592792896406
Energy: 0.8007833539048519

minimum gb energy = 0.7763363773175505 eV
minimum distance =  2.28197079757733 Angstroms
sigma value = 89


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

Energy: 1.5601981015468183
Energy: 0.7508841153783172
Energy: 0.7270903013470568
Energy: 0.7275496343327659
Energy: 0.7269759471447557
Energy: 0.8003487417507095
Energy: 0.7270433403767245
Energy: 0.8003487417507095
Energy: 0.7199554536247389
Energy: 0.800251934523194
Energy: 0.7437259584306253
Energy: 0.800251934523194
Energy: 0.7205971979337576
Energy: 0.8006812566111255
Energy: 0.7244120312501696
Energy: 0.8006812566111255
Energy: 0.7236642982726189
Energy: 0.725147306962075
Energy: 0.7386951894190339
Energy: 0.7251473069603739
Energy: 0.7242701567413383
Energy: 0.7241623046087509
Energy: 0.7375062333044657
Energy: 0.7241623046087509
Energy: 0.7235764181401978
Energy: 0.7231085659155979
Energy: 0.7256655289140941
Energy: 0.7231085659138968
Energy: 0.7260780364497466
Energy: 0.728221971220566
Energy: 0.7181898095495469
Energy: 0.728221971220566
Energy: 0.7284289129813776
Energy: 0.7267770003508163
Energy: 0.7185760380732858
Energy: 0.7267770003491152
Energy: 0.7474438000522757
Energy: 0.8017728661086924
Energy: 0.7273072349873103
Energy: 0.8017728661103934
Energy: 0.7257338184555956
Energy: 0.8025295476943933
Energy: 0.7177087713712693
Energy: 0.8025295476943933
Energy: 0.7371289898655772
Energy: 0.7239262208442193
Energy: 0.7262735973604815
Energy: 0.7239262208459203
Energy: 0.739755190727524
Energy: 0.7262704509182388
Energy: 0.7274621034785997
Energy: 0.7262704509182388
Energy: 0.725382263999452
Energy: 0.7226608983542504
Energy: 0.72217980294965
Energy: 0.7226608983559515
Energy: 0.7181491532157679
Energy: 0.7253677653390049
Energy: 0.7260056641272236
Energy: 0.7253677653390049

minimum gb energy = 0.7177087713712693 eV
minimum distance =  2.31052496065276 Angstroms
sigma value = 13


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

Energy: 1.364278523494622
Energy: 0.6818461514383628
Energy: 0.9049262751185194
Energy: 0.6881571138544584
Energy: 0.6906811696989226
Energy: 0.6866910848099395
Energy: 0.8350602914309727
Energy: 0.686691084803523
Energy: 0.6901617871581176
Energy: 0.684702791183245
Energy: 0.8473586169355206
Energy: 0.6847027911882356
Energy: 1.0002903049982717
Energy: 0.6893820564803406
Energy: 0.8257610881830091
Energy: 0.6893820564782017
Energy: 0.8309635678348434
Energy: 0.6871658509135851
Energy: 0.8268899545902109
Energy: 0.6871658509171499
Energy: 0.8283563561693186
Energy: 0.6860214933549695
Energy: 0.8234831917192695
Energy: 0.6860214933521178
Energy: 0.8278403937424546
Energy: 0.6856361194654055
Energy: 0.8239401732822332
Energy: 0.685636119458276
Energy: 0.8286001006977994
Energy: 0.6843888777215962
Energy: 0.8448282595891267
Energy: 0.6843888777187443
Energy: 0.6836041768024708
Energy: 0.6881037630876949
Energy: 0.8305865587939052
Energy: 0.6881037630898337
Energy: 0.6838864887123536
Energy: 0.6851842141318939
Energy: 0.8287108447434158
Energy: 0.685184214129755
Energy: 0.6863757114250861
Energy: 0.6845052100321403
Energy: 1.3644885684073043
Energy: 0.6845052100307143
Energy: 0.8244060449413456
Energy: 0.6843944281302177
Energy: 0.828946633264287
Energy: 0.6843944281280787
Energy: 0.8289787421930124
Energy: 0.7262114496196971
Energy: 0.8233355743146227
Energy: 0.7262114496268264
Energy: 0.826109514464219
Energy: 0.7282412103793147
Energy: 0.9998264286888694
Energy: 0.7282412103793147
Energy: 0.8344055882669574
Energy: 0.6877616902033963
Energy: 0.8269288660366012
Energy: 0.6877616901941278
Energy: 0.833524896237738
Energy: 0.6863335440771761
Energy: 0.6913430907063124
Energy: 0.6863335440679077
Energy: 0.8235696047419381
Energy: 0.685206719860271
Energy: 0.688559030239989
Energy: 0.6852067198581322
Energy: 0.6945623304233348
Energy: 0.684577256035863
Energy: 0.6870621955967121
Energy: 0.684577256036576
Energy: 0.9524267814858496
Energy: 0.6880154876802417
Energy: 0.8232395959035147
Energy: 0.6880154876759641
Energy: 0.8275496887233033
Energy: 0.6839574936505781
Energy: 0.850768514074288
Energy: 0.6839574936428006
Energy: 1.0126792706763423
Energy: 0.6854848983144727
Energy: 0.823162895159593
Energy: 0.6854848983216023
Energy: 0.8277509792452603
Energy: 0.7392441680470768
Energy: 0.8234429684503042
Energy: 0.7392441680485027
Energy: 0.8307824100358765
Energy: 0.6879352553557423
Energy: 0.8279766777654687
Energy: 0.6879352553521775
Energy: 0.690380697132903
Energy: 0.683957208803559
Energy: 0.8263075237999133
Energy: 0.683957208803559
Energy: 0.8249655363927073
Energy: 0.685599163172143
Energy: 0.8344747290867734
Energy: 0.6855991631806984
Energy: 0.6861711250488542
Energy: 0.6841707950398676
Energy: 0.8331119721549199
Energy: 0.6841707950427194
Energy: 0.6844699647041408
Energy: 0.6838860693772326
Energy: 0.8260969543081274
Energy: 0.683886069372955
Energy: 0.6848381983461177
Energy: 0.6880615202160382
Energy: 0.6959759221089586
Energy: 0.6880615202253064
Energy: 0.8226063091580019
Energy: 0.6840899484912054
Energy: 0.9535632872401973
Energy: 0.6840899484940571
Energy: 0.8512477458655869
Energy: 0.7289693225399324
Energy: 0.8227853395620325
Energy: 0.7289693225342937
Energy: 0.9656614442952971
Energy: 0.725659758852075
Energy: 1.0138662747445544
Energy: 0.7256597588549267
Energy: 0.8328451283371996
Energy: 0.6856325230897449
Energy: 0.8226406751794844
Energy: 0.6856325230854672
Energy: 0.8344191478352876
Energy: 0.6888490555763369
Energy: 0.6925188579812624
Energy: 0.6888490555763369
Energy: 0.9660216315939555
Energy: 0.6839461598142809
Energy: 0.6845822486683678
Energy: 0.6839461598142809
Energy: 0.9522076118061992
Energy: 0.6855530490267673
Energy: 0.6894307623576087
Energy: 0.685553049028193

minimum gb energy = 0.6818461514383628 eV
minimum distance =  2.30092137779532 Angstroms
sigma value = 37


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

Energy: 1.3334338002167248
Energy: 0.6327066759467525
Energy: 0.6421977505808741
Energy: 0.6431004607497361
Energy: 0.7430942911044266
Energy: 0.6417198945443429
Energy: 0.8849547729531498
Energy: 0.6417198945467961
Energy: 0.9834336385358822
Energy: 0.7193978727858804
Energy: 0.8793577743774211
Energy: 0.7193978727858804
Energy: 0.9854023492942983
Energy: 0.641920492651322
Energy: 0.8762771383610227
Energy: 0.641920492651322
Energy: 0.8608287135466749
Energy: 0.6248758154735754
Energy: 0.9736499695721877
Energy: 0.6248758154723488
Energy: 0.8689747221247232
Energy: 0.6245774260764312
Energy: 0.7437699449090566
Energy: 0.6245774260752046
Energy: 0.7620093715096095
Energy: 0.6295273277794123
Energy: 0.8625174969975593
Energy: 0.629527327780639
Energy: 0.7559307006393674
Energy: 0.6239251097170009
Energy: 0.7575546356787376
Energy: 0.6239251097182275
Energy: 0.7460775404009167
Energy: 0.6260811105425046
Energy: 0.991599454198199
Energy: 0.6260811105437312
Energy: 0.7455492987095825
Energy: 0.6209323836276834
Energy: 0.6200621854265836
Energy: 0.62093238362891
Energy: 0.7665385714196497
Energy: 0.7663337705552015
Energy: 1.1790479612693991
Energy: 0.7663337705552015
Energy: 0.9796298362555559
Energy: 0.6203570740749604
Energy: 0.6201674019886027
Energy: 0.6203570740737339
Energy: 0.9776573982901917
Energy: 0.6980526063432376
Energy: 0.9832498127767885
Energy: 0.6980526063407845
Energy: 0.978486035797751
Energy: 0.6218948107775283
Energy: 0.9841562941115248
Energy: 0.621894810778755
Energy: 0.9736499695734143
Energy: 0.7104554487272534
Energy: 0.6204854633129232
Energy: 0.7104554487260268
Energy: 0.74376994490783
Energy: 0.6996421553006544
Energy: 0.6255665247149979
Energy: 0.6996421553031076
Energy: 1.0962472126237948
Energy: 0.6986508049600055
Energy: 0.761901220145008
Energy: 0.698650804958779
Energy: 0.7575546356750578
Energy: 0.6404962499411546
Energy: 0.6493556141544058
Energy: 0.6404962499423813
Energy: 0.9915994542031052
Energy: 0.6441715651306684
Energy: 0.6411011305667966
Energy: 0.644171565131895
Energy: 0.8613216897028817
Energy: 0.6416641405992224
Energy: 0.6505523168014747
Energy: 0.641664140600449

minimum gb energy = 0.6200621854265836 eV
minimum distance =  2.30100722232999 Angstroms
sigma value = 25


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

Energy: 1.432006522464434
Energy: 0.5621801431270502
Energy: 0.7981296365715385
Energy: 0.5587845008658865
Energy: 0.9411026491220976
Energy: 0.5564192087260273
Energy: 0.748345095045969
Energy: 0.5564192087269851
Energy: 1.2675759300591711
Energy: 0.555294892822518
Energy: 0.7513100869904283
Energy: 0.5552948928234758
Energy: 0.9728724602809802
Energy: 0.5616281839088897
Energy: 0.7478291664853488
Energy: 0.5616281839098475
Energy: 0.9479625782053355
Energy: 0.620908747840783
Energy: 0.9505506335403027
Energy: 0.620908747840783
Energy: 0.9404063578125198
Energy: 0.6179345924410914
Energy: 1.1065658649777648
Energy: 0.6179345924420492
Energy: 0.9436346000090635
Energy: 0.6207775228488129
Energy: 0.9484153333511194
Energy: 0.6207775228497707
Energy: 0.747564305960381
Energy: 0.5610864970081234
Energy: 1.1011418236688892
Energy: 0.5610864970071655
Energy: 0.7512359069526086
Energy: 0.5555060464554109
Energy: 1.1043757342853455
Energy: 0.5555060464554109
Energy: 0.7520906453008301
Energy: 0.5561803453201303
Energy: 1.1049026672478268
Energy: 0.5561803453201303
Energy: 0.5562186544083384
Energy: 0.5601900753893078
Energy: 1.2028432864449512
Energy: 0.5601900753902657
Energy: 0.5590157568103574
Energy: 0.5560120358237879
Energy: 0.9509577792307542
Energy: 0.5560120358247457
Energy: 0.5571918556352988
Energy: 0.5550779228140942
Energy: 0.9394471223484687
Energy: 0.5550779228121785
Energy: 0.5681177063210735
Energy: 0.5626484289911874
Energy: 0.9381101940850293
Energy: 0.5626484289911874
Energy: 0.7516360841042092
Energy: 0.5550684470956405
Energy: 0.9483152345630619
Energy: 0.5550684470946828
Energy: 0.7521405203125971
Energy: 0.5565620844114473
Energy: 0.9470561261816631
Energy: 0.5565620844104893
Energy: 0.9479791965815905
Energy: 0.5577374607410104
Energy: 0.9404729462279029
Energy: 0.5577374607410104
Energy: 0.7639960961044666
Energy: 0.6220425606899067
Energy: 0.9477652004587394
Energy: 0.6220425606908645
Energy: 1.1036537719962198
Energy: 0.6186578136258398
Energy: 0.943122550404385
Energy: 0.6186578136277553
Energy: 0.9491435854808947
Energy: 0.6185183880492617
Energy: 0.9408477166808435
Energy: 0.6185183880463883
Energy: 1.2039467340191818
Energy: 0.5594258405810172
Energy: 0.7537454917965647
Energy: 0.5594258405810172
Energy: 0.9506759062911492
Energy: 0.5544652502673465
Energy: 0.5558805558419244
Energy: 0.5544652502663888
Energy: 1.101127228736282
Energy: 0.5582715231513236
Energy: 0.7474670914962459
Energy: 0.5582715231513236
Energy: 1.09987679231227
Energy: 0.5572782448993273
Energy: 0.5625432212683893
Energy: 0.5572782449002851
Energy: 0.9487482282719885
Energy: 0.554809795783098
Energy: 0.5553911452221149
Energy: 0.5548097957840559
Energy: 1.2603051937545682
Energy: 0.5568292237247385
Energy: 0.5606673796660703
Energy: 0.5568292237247385

minimum gb energy = 0.5544652502663888 eV
minimum distance =  2.31448669211591 Angstroms
sigma value = 41


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

Energy: 1.5919488831648045
Energy: 0.5153731886604821
Energy: 0.756920299309006
Energy: 0.5072023239476633
Energy: 1.1117072899472622
Energy: 0.5065520431305789
Energy: 0.6664751176126947
Energy: 0.5065520431290083
Energy: 1.119726993369443
Energy: 0.5048330738368318
Energy: 0.6714929370950701
Energy: 0.5048330738391876
Energy: 1.11015642999399
Energy: 0.5080139008024619
Energy: 0.8392830172913707
Energy: 0.5080139008024619
Energy: 1.119614428762733
Energy: 0.504326050134992
Energy: 0.9758861592413024
Energy: 0.5043260501357774
Energy: 1.1145046645552141
Energy: 0.5061451460842081
Energy: 0.9726887628849569
Energy: 0.5061451460842081
Energy: 1.1190009924336228
Energy: 0.5596345084040564
Energy: 1.118535184859532
Energy: 0.559634508402486
Energy: 0.9794161039633252
Energy: 0.5585256807160867
Energy: 0.9764717513234942
Energy: 0.5585256807153015
Energy: 0.8308071630902317
Energy: 0.5575119751206924
Energy: 1.2520123911609837
Energy: 0.5575119751199071
Energy: 0.8293372181496981
Energy: 0.5044621499972819
Energy: 1.1198116456025449
Energy: 0.5044621499957114
Energy: 0.6759856949954111
Energy: 0.5106191638275591
Energy: 1.397845246530544
Energy: 0.5106191638299147
Energy: 0.6694186749407338
Energy: 0.504019071782503
Energy: 1.1218342329568138
Energy: 0.504019071782503
Energy: 0.6674959198863425
Energy: 0.507378750077918
Energy: 1.120149086993766
Energy: 0.507378750077918
Energy: 0.5136029544128736
Energy: 0.5083962770242715
Energy: 1.1173040351594283
Energy: 0.5083962770250567
Energy: 0.5068359648741262
Energy: 0.5061364018572565
Energy: 1.1192314357004138
Energy: 0.5061364018596123
Energy: 0.5106088516776749
Energy: 0.5065283275280782
Energy: 1.1161027367501002
Energy: 0.5065283275257225
Energy: 0.6735496319137958
Energy: 0.5091395231820638
Energy: 1.1117653387021569
Energy: 0.5091395231812785
Energy: 0.6743186934539764
Energy: 0.5038616732106667
Energy: 1.1191243863452438
Energy: 0.5038616732090961
Energy: 0.6679204447440836
Energy: 0.5082906645403579
Energy: 1.1164624686797096
Energy: 0.5082906645403579
Energy: 0.97239238348642
Energy: 0.506961315802936
Energy: 1.1147260339618008
Energy: 0.506961315806077
Energy: 1.024717581798817
Energy: 0.5566821169254395
Energy: 1.1181765010424733
Energy: 0.5566821169262245
Energy: 0.973358304779255
Energy: 0.5095264922717289
Energy: 1.1203168127858751
Energy: 0.5095264922725142
Energy: 1.2532263744416543
Energy: 0.5562300740789969
Energy: 1.1126040600774951
Energy: 0.5562300740797823
Energy: 0.9777291203377692
Energy: 0.5095235528722772
Energy: 0.9724316906188005
Energy: 0.5095235528707067
Energy: 1.1174445316933692
Energy: 0.558321751635003
Energy: 0.8419676202933118
Energy: 0.5583217516326472
Energy: 1.2529762753458893
Energy: 0.5065214577157783
Energy: 0.972769347722479
Energy: 0.5065214577142078
Energy: 1.2581649039003258
Energy: 0.5086510691977423
Energy: 0.6687594690635296
Energy: 0.5086510691977423
Energy: 1.119280454906839
Energy: 0.5043213381075186
Energy: 0.6731883809456348
Energy: 0.5043213381067333
Energy: 1.2556776384375448
Energy: 0.508444850393253
Energy: 0.6725789128352849
Energy: 0.5084448503940384
Energy: 1.2532210967862434
Energy: 0.5069413177891855
Energy: 0.5074249921222248
Energy: 0.5069413177915413
Energy: 1.11989566884923
Energy: 0.505532892410934
Energy: 0.5062831577883576
Energy: 0.5055328924101486
Energy: 1.1186825595452583
Energy: 0.5066217175413821
Energy: 0.5147091378137132
Energy: 0.5066217175429526

minimum gb energy = 0.5038616732090961 eV
minimum distance =  2.31575168841583 Angstroms
sigma value = 15


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

Energy: 1.4505650975308546
Energy: 0.4774815459348125
Energy: 0.7285692417214911
Energy: 0.47378135003508043
Energy: 1.2442323937099953
Energy: 0.4705852521720517
Energy: 0.6113257387250244
Energy: 0.47058525217338215
Energy: 1.2539847552160681
Energy: 0.4709444749759941
Energy: 0.6120359756593684
Energy: 0.47094447497466374
Energy: 1.307115044476149
Energy: 0.4730073103133214
Energy: 0.7605780911967316
Energy: 0.4730073103166475
Energy: 1.2437756474440753
Energy: 0.4682690350323018
Energy: 0.8763688634731546
Energy: 0.46826903502831047
Energy: 1.3008137669130058
Energy: 0.4688602304049894
Energy: 0.8716696785392525
Energy: 0.4688602304089807
Energy: 1.05942743876265
Energy: 0.4750410665692574
Energy: 1.1170406066128626
Energy: 0.4750410665752443
Energy: 1.1246053242251894
Energy: 0.5151989932869528
Energy: 0.9409061654307627
Energy: 0.515198993284292
Energy: 1.0576213225640034
Energy: 0.7462832517137435
Energy: 1.116104784832011
Energy: 0.7462832517184
Energy: 1.0566118764770969
Energy: 0.47142701434390777
Energy: 1.1955640218475538
Energy: 0.47142701434656864
Energy: 0.8807944494914848
Energy: 0.4690124720825782
Energy: 1.2888077438405698
Energy: 0.46901247208390867
Energy: 0.8145172508624715
Energy: 0.4712819914310561
Energy: 1.2411068543322132
Energy: 0.4712819914330518
Energy: 0.8729841655786545
Energy: 0.4698535671786322
Energy: 1.4166669777061898
Energy: 0.4698535671786322
Energy: 0.6086190818680499
Energy: 0.46875259518726203
Energy: 1.1887082988934419
Energy: 0.46875259518925766
Energy: 0.6131613719091409
Energy: 0.4684344888144293
Energy: 1.2357819950822961
Energy: 0.4684344888204162
Energy: 0.604778631544172
Energy: 0.46784478841907423
Energy: 1.4170233691745526
Energy: 0.4678447884250007
Energy: 0.5466927404798385
Energy: 0.47044327199180824
Energy: 1.4222253905954807
Energy: 0.4704432719984605
Energy: 0.5369384477865998
Energy: 0.46756414328560164
Energy: 1.2396828206300805
Energy: 0.4675641432762886
Energy: 0.5405514795833334
Energy: 0.4700647070352067
Energy: 1.2417870491587126
Energy: 0.47006470703786757
Energy: 0.6844806874189721
Energy: 0.47270754192114334
Energy: 1.2435098928255115
Energy: 0.4727075419191477
Energy: 0.6791134113802259
Energy: 0.4673598623586008
Energy: 1.2415999684662993
Energy: 0.46735986235993116
Energy: 0.6860079937205422
Energy: 0.4721508851512661
Energy: 1.306178284129747
Energy: 0.4721508851512661
Energy: 0.8633681230357078
Energy: 0.4667743025591315
Energy: 1.29738083823522
Energy: 0.46677430256179236
Energy: 0.8751650244600071
Energy: 0.4685031469051215
Energy: 1.2346405128214777
Energy: 0.4685031469044563
Energy: 0.8703470740694665
Energy: 0.46912664628198036
Energy: 1.0639452852221416
Energy: 0.46912664628597167
Energy: 1.1212442556835496
Energy: 0.6254453802016071
Energy: 1.23455699638222
Energy: 0.6254453801943501
Energy: 0.9343935295739738
Energy: 0.5130584781063281
Energy: 1.1146742576420299
Energy: 0.513058478097015
Energy: 1.1243759932795883
Energy: 0.5151744993901006
Energy: 1.0639072016261317
Energy: 0.5151744993861094
Energy: 1.1830830164944395
Energy: 0.5181155081782431
Energy: 1.0662750795574059
Energy: 0.5181155081968691
Energy: 1.1791956553566538
Energy: 0.46894430214148997
Energy: 0.8716926260132568
Energy: 0.46894430214215516
Energy: 1.2422356617651529
Energy: 0.4680033257646033
Energy: 0.8143165733166223
Energy: 0.46800332576720377
Energy: 1.1869680265263678
Energy: 0.47513749185996235
Energy: 0.842703691413031
Energy: 0.47513749186528403
Energy: 1.4170005230137463
Energy: 0.4708526415728482
Energy: 0.6124302817398629
Energy: 0.4708526415622047
Energy: 1.24517139291496
Energy: 0.47010634273158486
Energy: 0.6118759197311925
Energy: 0.47010634272825885
Energy: 1.2420879901603892
Energy: 0.4719817183425337
Energy: 0.4779091668046378
Energy: 0.47198171834452934
Energy: 1.2442439086572257
Energy: 0.471404520802666
Energy: 0.47029652104630804
Energy: 0.4714045208073225
Energy: 1.250203774777425
Energy: 0.4724822996258519
Energy: 0.4706806032520237
Energy: 0.4724822996318389

minimum gb energy = 0.4667743025591315 eV
minimum distance =  2.30928192924889 Angstroms
sigma value = 85


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

Energy: 1.471336888195684
Energy: 0.4388210009954156
Energy: 0.4221247016452631
Energy: 0.4228875657722277
Energy: 1.3100715280494077
Energy: 0.4216181676685363
Energy: 0.5435812823726652
Energy: 0.4216181676685363
Energy: 1.3099462475382961
Energy: 0.4210995564989013
Energy: 0.5473382316088633
Energy: 0.4210995564994782
Energy: 1.0934703913205577
Energy: 0.4236691913559762
Energy: 0.7752706476073978
Energy: 0.4236691913553992
Energy: 1.3162255426536975
Energy: 0.4198496532051702
Energy: 0.7783316095214087
Energy: 0.41984965320574713
Energy: 1.097836737449562
Energy: 0.4205775375977558
Energy: 0.7750789255217628
Energy: 0.42057753759717886
Energy: 1.0949691404495465
Energy: 0.42115017233331586
Energy: 0.9948981918687626
Energy: 0.4211501723344697
Energy: 1.2056505007659493
Energy: 0.42079104401443956
Energy: 0.7756514589455878
Energy: 0.4207910440138626
Energy: 1.0971487077851294
Energy: 0.4205457428783769
Energy: 0.9902288330184587
Energy: 0.42054574287895385
Energy: 1.0968669353663185
Energy: 0.49376151397022683
Energy: 1.2038143501418035
Energy: 0.49376151397080376
Energy: 0.9910889104122177
Energy: 0.4208917139780636
Energy: 1.0593197171088702
Energy: 0.42089171397748665
Energy: 0.8817321694288658
Energy: 0.42069169716276733
Energy: 1.20394979404273
Energy: 0.42069169716103655
Energy: 0.9903602014939453
Energy: 0.4200046299618361
Energy: 1.203901923194495
Energy: 0.42000462996125915
Energy: 0.7752867597008161
Energy: 0.4218291115991807
Energy: 0.9872054780863635
Energy: 0.42182911160033454
Energy: 0.6636715933719525
Energy: 0.4198278312851239
Energy: 1.315180610458381
Energy: 0.4198278312862778
Energy: 0.777461751878308
Energy: 0.4218865871648317
Energy: 1.201093230998093
Energy: 0.42188658716367783
Energy: 0.545308067723505
Energy: 0.42481617351065337
Energy: 1.2011259056610621
Energy: 0.4248161735094995
Energy: 0.5426307892678415
Energy: 0.41980221752658353
Energy: 1.3147534977889677
Energy: 0.41980221752658353
Energy: 0.5434654754731054
Energy: 0.4202083223122607
Energy: 1.3083298744835372
Energy: 0.4202083223128376
Energy: 0.42271828498111064
Energy: 0.42409210785378093
Energy: 1.3084892103275652
Energy: 0.42409210785378093
Energy: 0.420913890942371
Energy: 0.42009038593206516
Energy: 1.3156791976339275
Energy: 0.42009038593206516
Energy: 0.4239855303077541
Energy: 0.42147146982416406
Energy: 1.306060584547445
Energy: 0.42147146982358713
Energy: 0.5467496316730369
Energy: 0.42223501371111516
Energy: 1.3091612290975483
Energy: 0.4222350137122691
Energy: 0.5446394761934457
Energy: 0.41987848055528
Energy: 1.3171960948111088
Energy: 0.41987848055528
Energy: 0.5436633384035443
Energy: 0.42037274959284104
Energy: 1.093583652699641
Energy: 0.4203727495922641
Energy: 0.7747801645358894
Energy: 0.42026071736666876
Energy: 1.310246985371253
Energy: 0.42026071736666876
Energy: 0.7768710771698469
Energy: 0.42017878767982747
Energy: 1.3101532371638693
Energy: 0.42017878767925054
Energy: 0.7753354396691768
Energy: 0.4224671204166785
Energy: 1.0954712589291116
Energy: 0.4224671204201402
Energy: 0.9906133401639846
Energy: 0.4207387589815357
Energy: 1.3184062815173494
Energy: 0.42073875897980484
Energy: 0.9919889969173402
Energy: 0.4209954155014375
Energy: 1.0977795737630716
Energy: 0.4209954155043222
Energy: 1.1048412744227243
Energy: 0.49232275659757085
Energy: 0.879803167766586
Energy: 0.4923227565987247
Energy: 0.9891434420038453
Energy: 0.49240125538740315
Energy: 1.104358170371744
Energy: 0.4924012553868262
Energy: 1.2058977713508492
Energy: 0.42078969002381056
Energy: 0.8824632872694884
Energy: 0.4207896900376572
Energy: 1.3154626787175963
Energy: 0.41983558983949615
Energy: 0.8839642967686757
Energy: 0.41983558983949615
Energy: 1.0562824305228862
Energy: 0.4231397393693045
Energy: 0.7752343529961695
Energy: 0.4231397393698814
Energy: 1.3150228073283474
Energy: 0.4199391011397695
Energy: 0.7781083701777519
Energy: 0.4199391011397695
Energy: 1.3113547351908943
Energy: 0.42045520719854806
Energy: 0.7748756742993665
Energy: 0.42045520719854806
Energy: 1.2012985506484013
Energy: 0.4200124280930634
Energy: 0.5435938628766355
Energy: 0.42001242809248646
Energy: 1.3167390344762653
Energy: 0.41976996843497505
Energy: 0.5447894740920488
Energy: 0.419769968435552
Energy: 1.309060130562407
Energy: 0.4226964261784811
Energy: 0.5476373824403115
Energy: 0.4226964261779041
Energy: 1.1998277261923542
Energy: 0.4242745914033351
Energy: 0.4200189803763244
Energy: 0.42427459140391205
Energy: 1.3153641563079803
Energy: 0.4199502020818358
Energy: 0.4203859569370843
Energy: 0.4199502020812589
Energy: 1.305844928470124
Energy: 0.42010184120272087
Energy: 0.4226664332373354
Energy: 0.4201018412032978

minimum gb energy = 0.41976996843497505 eV
minimum distance =  2.31703195892934 Angstroms
sigma value = 113


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

Energy: 0.015447471777845171
Energy: 0.016557874876039165
Energy: 1.1903023769134755
Energy: 0.3780016063823982
Energy: 0.016475918086013685
Energy: 0.1037560083219563
Energy: 0.9058125869667941
Energy: 0.10375600832239983
Energy: 0.01617462472550333
Energy: 0.10233196851489407
Energy: 0.9046700889549681
Energy: 0.10233196851489407
Energy: 0.01714825817665709
Energy: 0.10433376663359051
Energy: 0.9022946145231233
Energy: 0.1043337666327281
Energy: 0.9050875247281447
Energy: 0.10351673777330699
Energy: 0.905068082906577
Energy: 0.10351673777244456
Energy: 0.01592171045416481
Energy: 0.10204679615722437
Energy: 0.9043332237056277
Energy: 0.10204679615766789

minimum gb energy = 0.015447471777845171 eV
minimum distance =  2.52275590148458 Angstroms
sigma value = 1