Model name: model_name=EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9211406409740452
cohesive_energy=5.199020453881133
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.8173941134674194e-19, 2.822234140791e-19, 3.22497328127958e-19, 3.23641282244634e-19, 3.093001991937e-19, 3.07971994764114e-19, 3.32881034892912e-19, 3.7898366753626196e-19, 4.2868318672294197e-19, 4.743516294984779e-19, 5.156749692426059e-19, 5.535199835143199e-19, 5.893542661103639e-19, 6.25278270597912e-19, 6.62448768506712e-19, 6.997650644892059e-19, 7.34545114860078e-19, 7.64412891671106e-19, 7.8831256052048395e-19, 8.06306606296938e-19, 8.190006517681198e-19, 8.271669460716179e-19, 8.315745339917519e-19, 8.329091471278741e-19, 8.316145884076019e-19, 8.27666825181426e-19, 8.208463592504879e-19, 8.10683752861026e-19, 7.96448413467936e-19, 7.7724792868608e-19, 7.521754665406139e-19, 7.206718673862719e-19, 6.82995081661128e-19, 6.40183319824014e-19, 5.927092239819599e-19, 5.37740145846054e-19, 4.68042257913786e-19, 3.7482441699439795e-19, 2.5073263233782997e-19, 8.9216404775973e-20, -1.186801126399062e-19, -3.86818311276522e-19, -7.3279874232901785e-19, -1.1856427526926798e-18, -1.80828063619776e-18, -2.6995234323929397e-18, -4.02508427053284e-18, -6.086444727837239e-18, -9.467405926203059e-18, -1.5363656265818158e-17, -2.6564889680036998e-17, -5.0160946057271994e-17, -1.076439995495874e-16, -2.8335935731260594e-16]
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: 0.01704175638739083
Energy: 0.018562130820153146
Energy: 0.018037559542608595
Energy: 0.01741260132591914
Energy: 0.7705669012969047
Energy: 0.01768680513652325
Energy: 0.018562130820390082
Energy: 0.5729542986083925
Energy: 0.12993391391767267
Energy: 0.1301116284583515
Energy: 0.576664704742371
Energy: 0.13042021888538977
Energy: 0.018037559542608595
Energy: 0.12993391391793924
Energy: 0.1326257228608649
Energy: 0.01806527252337026
Energy: 0.5752604307911031
Energy: 0.1315359179914358
Energy: 0.01741260132618569
Energy: 0.13011162845861804
Energy: 0.01806527252337026
Energy: 0.017486520828143916
Energy: 0.13011036901177955
Energy: 0.017741610825997393
Energy: 0.7705669013018508
Energy: 0.5766647047436742
Energy: 0.5752604307903034
Energy: 0.13011036901204612
Energy: 0.5779271000481716
Energy: 0.13001714158442282
Energy: 0.0176868051362567
Energy: 0.13042021888538977
Energy: 0.13153591799116923
Energy: 0.017741610825997393
Energy: 0.13001714158415625
Energy: 0.018177454098487072

minimum gb energy = 0.01704175638739083 eV
minimum distance =  2.76642307703941 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.016760768629585
Energy: 1.9581127205358186
Energy: 1.9336979259278564
Energy: 2.0189156160669657
Energy: 1.8342088216686032
Energy: 2.3888740503539663
Energy: 2.204263445342745
Energy: 1.8326189299624238
Energy: 1.8329616809371596
Energy: 1.678336063614739
Energy: 1.8325354545910622
Energy: 1.831329012845333
Energy: 2.1600900499320868
Energy: 1.8348292934645996
Energy: 1.8382588153029848
Energy: 2.1592629208456477
Energy: 1.8403047217339514
Energy: 1.8309080891702858
Energy: 2.179565426195814
Energy: 1.7480610704083646
Energy: 1.9862957333368356
Energy: 2.1807077247810795
Energy: 1.9266250253717794
Energy: 1.98377200454667
Energy: 2.2633849577768994
Energy: 1.7003060523333997
Energy: 1.6997091338942774
Energy: 1.680610635958421
Energy: 1.7008070206020813
Energy: 1.6995710831961897
Energy: 1.9021613662324417
Energy: 1.7008174148086466
Energy: 1.7005987504865985
Energy: 1.902222844424226
Energy: 1.699848307862586
Energy: 1.7008431494667617
Energy: 1.9118000076385322
Energy: 1.8709707839214045
Energy: 1.9022851628210977
Energy: 1.9137053075635668
Energy: 1.8715538186018141
Energy: 1.9013812940286285
Energy: 1.8641853147533625
Energy: 1.7776312835136219
Energy: 1.7772825425856886
Energy: 1.8748158852303165
Energy: 1.7887799411951049
Energy: 1.8773104364268307
Energy: 1.7069155730744068
Energy: 1.808591263991089
Energy: 1.699797548527824
Energy: 1.6997488871740982
Energy: 1.900544648939152
Energy: 1.6985078862372125
Energy: 1.7015281954781767
Energy: 1.6773335673676188
Energy: 1.6994382691495682
Energy: 1.7015453648146135
Energy: 1.6785896010515193
Energy: 1.7000145209996256
Energy: 1.8356304790693172
Energy: 2.0233793891376872
Energy: 2.014224778177845
Energy: 1.8356713775215552
Energy: 2.0187729170860824
Energy: 1.8021458835160875
Energy: 1.834080312471734
Energy: 1.7335535289022923
Energy: 1.8317264833880436
Energy: 1.834593776299492
Energy: 1.6742300109976795
Energy: 1.8327761563473524
Energy: 1.8323699096237325
Energy: 1.7301692580375052
Energy: 1.8327473189161774
Energy: 1.8327257083412831
Energy: 1.6965962889793957
Energy: 1.8334823872832404
Energy: 1.782442646277199
Energy: 2.18324702502222
Energy: 2.1768382660607237
Energy: 1.7820751161741908
Energy: 2.179421583018825
Energy: 1.7976288916980567
Energy: 1.781584514125519
Energy: 1.7302737858362889
Energy: 1.7814380159156153
Energy: 1.7817736891039122
Energy: 1.7315262169854306
Energy: 1.7822751926283178
Energy: 1.7835412608867212
Energy: 1.780336563464432
Energy: 1.7807322843598377
Energy: 1.7832849176884822
Energy: 1.9275222718675489
Energy: 1.7814311936906015
Energy: 1.7293122137376733
Energy: 1.8974555144053737
Energy: 1.8973497231068153
Energy: 1.729341211009844
Energy: 1.906567466946628
Energy: 1.7462818770744002
Energy: 1.7376191698647794
Energy: 1.7307237432568179
Energy: 1.7308736264474192
Energy: 1.7396825585231588
Energy: 1.7328882622547819
Energy: 1.7309941192297158
Energy: 1.72918868651068
Energy: 1.728377196246342
Energy: 1.728994101043952
Energy: 1.729406507367165
Energy: 1.7280482960343508
Energy: 1.7272713218589986
Energy: 2.229227917976402
Energy: 1.728099924456631
Energy: 1.7292438774305632
Energy: 1.8891468784417582
Energy: 1.7278442363750592
Energy: 1.7301996001968651
Energy: 2.020689041124897
Energy: 1.8630175826632935
Energy: 2.0203988155850365
Energy: 2.022326696722665
Energy: 1.779313560042741
Energy: 2.0168846079702045
Energy: 2.017327286984023
Energy: 1.786079512672775
Energy: 1.783426579495286
Energy: 2.0177092140780633
Energy: 1.7850732942422114
Energy: 1.7819930712574068
Energy: 2.14704592000634
Energy: 1.7829469609945447
Energy: 1.7828772172708365
Energy: 1.6646117036904264
Energy: 1.7828222560596738
Energy: 1.782756351049124

minimum gb energy = 1.6646117036904264 eV
minimum distance =  2.47946699184774 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.372165747458213
Energy: 1.9346571292096795
Energy: 1.9352598631803921
Energy: 2.3639206731892553
Energy: 1.876395747008151
Energy: 2.3500680259845126
Energy: 2.1503207699071694
Energy: 1.8600018138761059
Energy: 1.8601162692168853
Energy: 2.042846684965527
Energy: 1.860018879907751
Energy: 1.860327069301944
Energy: 1.9982170473016938
Energy: 1.8662195095803542
Energy: 1.8654927693213932
Energy: 1.9996454467494185
Energy: 1.8669787950780188
Energy: 1.8663035441332025
Energy: 2.012764480367408
Energy: 1.8628796127386535
Energy: 1.8629189546613796
Energy: 2.014720082512932
Energy: 1.8616282572219767
Energy: 1.8685803528217715
Energy: 2.2880221809222685
Energy: 1.809065775399172
Energy: 1.8092515493150316
Energy: 1.7482374747782237
Energy: 1.8087416537395815
Energy: 1.8093269249986292
Energy: 2.0330926870428163
Energy: 1.8085645110547883
Energy: 1.808862846190821
Energy: 2.033239095338504
Energy: 1.8083162977837186
Energy: 1.8094390540409533
Energy: 2.033254860840392
Energy: 1.843610195737006
Energy: 1.843595999383947
Energy: 2.0339615323317988
Energy: 1.839510787179409
Energy: 1.886847396553303
Energy: 2.01996827056766
Energy: 1.7261281932551347
Energy: 1.7256925927744704
Energy: 1.8432555660884866
Energy: 1.726314838376088
Energy: 1.7273019162013978
Energy: 1.7392480898956237
Energy: 1.727556269017831
Energy: 1.7323825574845804
Energy: 1.7385575893148166
Energy: 1.7262080639348523
Energy: 1.7379623867466876
Energy: 1.7311018951092894
Energy: 1.709339111185595
Energy: 1.731749910649709
Energy: 1.7313276206655661
Energy: 1.7079299006136412
Energy: 1.7315734679386394
Energy: 2.013746209430709
Energy: 2.228089991638153
Energy: 2.2223340292334446
Energy: 2.012252148736824
Energy: 2.2254308175722977
Energy: 1.760061933177123
Energy: 1.8133086989808007
Energy: 1.7533042305563993
Energy: 1.8135052672736285
Energy: 1.8124737616756872
Energy: 1.9268485258215966
Energy: 1.8130758239466702
Energy: 1.8168773588854021
Energy: 1.816145360939083
Energy: 1.8212280319166303
Energy: 1.8167733659737455
Energy: 2.226532465959904
Energy: 1.8159150378580895
Energy: 1.9572120017532888
Energy: 2.019615577150616
Energy: 2.010541885263318
Energy: 1.9585030761219755
Energy: 2.0134680159136304
Energy: 1.8681382386191843
Energy: 1.8295878731737276
Energy: 1.8329512582738565
Energy: 1.8327995275149742
Energy: 1.8298130307485445
Energy: 1.9637377553410682
Energy: 1.8317107206965617
Energy: 1.8307213100920008
Energy: 1.9036434003214047
Energy: 1.921802507622286
Energy: 1.8305066194919342
Energy: 2.0501874281860326
Energy: 1.8316918987960102
Energy: 1.9145149127564336
Energy: 2.0495905118310684
Energy: 2.0494649544577923
Energy: 1.8537726879630492
Energy: 2.04894037600224
Energy: 1.9076102642064054
Energy: 1.7259510259524895
Energy: 1.8764464329908073
Energy: 1.8968739487300301
Energy: 1.7261802446904266
Energy: 1.8700213868944358
Energy: 1.727352062933308
Energy: 1.7258954370352289
Energy: 1.743238424881524
Energy: 1.7439955171341408
Energy: 1.7256954886314375
Energy: 1.7430428063701389
Energy: 1.7443014524379694
Energy: 2.212379241041102
Energy: 1.7426972761672967
Energy: 1.7430126789171358
Energy: 1.9952664654046741
Energy: 1.7426237924603865
Energy: 1.743198056869076
Energy: 2.228890697340459
Energy: 2.013658775972929
Energy: 1.7947062479860985
Energy: 2.227479912784013
Energy: 1.955564439073824
Energy: 2.256166623011353
Energy: 2.226226740955886
Energy: 1.8151884173723107
Energy: 1.815419636466687
Energy: 2.2124105989678524
Energy: 1.814921752984734
Energy: 1.8156894043711869
Energy: 2.1199762377876903
Energy: 1.8176243025307655
Energy: 1.8177313594874012
Energy: 1.9583295938744387
Energy: 1.8174287667896107
Energy: 1.8185682386955906
Energy: 2.0094226780810773
Energy: 1.9679380332647036
Energy: 1.8681645679576628
Energy: 2.01013562974896
Energy: 1.9680061795244048
Energy: 2.0104274417300223
Energy: 2.116375457477037
Energy: 1.8316301684711418
Energy: 1.834631845511157
Energy: 1.964138129506074
Energy: 1.830634044608903
Energy: 1.8348908394949082
Energy: 2.0497795604226283
Energy: 1.8302756851760507
Energy: 1.8304116076756825
Energy: 2.049724161574101
Energy: 1.8304200288281651
Energy: 1.8326813455879578
Energy: 2.0518682220425823
Energy: 1.9053598215459406
Energy: 1.903841532630128
Energy: 2.052526478206347
Energy: 1.9148863626229669
Energy: 2.0483654257659807
Energy: 2.0405926279697764
Energy: 1.7260525880997362
Energy: 1.7292448101187172
Energy: 2.0420406810936025
Energy: 1.72607016327681
Energy: 1.8981959289776427
Energy: 1.743323239227467
Energy: 1.7259877800153054
Energy: 1.7272993706915654
Energy: 1.743396529422036
Energy: 1.7262262694799893
Energy: 1.7476814971633223
Energy: 1.7412553526911048
Energy: 1.7192447509626667
Energy: 1.7415033812502543
Energy: 1.7414248683619278
Energy: 1.7084403724348936
Energy: 1.7410627816245492
Energy: 1.9587944866804494
Energy: 2.2338501676217515
Energy: 2.068172592826948
Energy: 1.9601604622082573
Energy: 2.228500704189176
Energy: 1.7959842991701787
Energy: 1.8033937307284384
Energy: 1.7540214991845595
Energy: 1.7531185480070184
Energy: 1.8034478628455615
Energy: 2.229405560856203
Energy: 1.8041290712654015
Energy: 1.8089289696421145
Energy: 1.776262713188122
Energy: 1.8057141476263356
Energy: 1.8047693629527697
Energy: 1.7779250123833705
Energy: 1.8059816484419873
Energy: 1.8134016811513258
Energy: 2.0188605669839617
Energy: 2.010374190539683
Energy: 1.8132207809188046
Energy: 2.0120941822555167
Energy: 1.8673527151746023
Energy: 1.8133076036374294
Energy: 1.8157578239459466
Energy: 1.817087669506427
Energy: 1.8138915582499644
Energy: 1.926101974240688
Energy: 1.8157899078611046
Energy: 1.8193344237948461
Energy: 1.8156171325072885
Energy: 1.8133022872206725
Energy: 1.8158016565818633
Energy: 2.024578351321982
Energy: 1.8128752389934792
Energy: 1.8145600002628781
Energy: 2.027818714023601
Energy: 2.025702044278569
Energy: 1.814610379818695
Energy: 2.0277016371050456
Energy: 2.0622815346152574
Energy: 1.725936896187612
Energy: 1.8486203317989405
Energy: 1.851433274763468
Energy: 1.7261337255852418
Energy: 1.840132540752915
Energy: 1.84987087340706
Energy: 1.7260616270536344
Energy: 1.784794498338272
Energy: 1.8434478657379927
Energy: 1.726166066934328
Energy: 1.7844759898291866
Energy: 1.7267408994696611
Energy: 2.3590807001644842
Energy: 1.7837011065835546
Energy: 1.7839090267726672
Energy: 1.7708571295198434
Energy: 1.7873222549356333
Energy: 1.7843320540312861
Energy: 2.357395848838315
Energy: 1.7851666513179019
Energy: 1.8171790535140093
Energy: 2.3578752831116567
Energy: 1.785656280234047
Energy: 1.8175680095608262

minimum gb energy = 1.7079299006136412 eV
minimum distance =  2.58037212797929 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.1477153669656994
Energy: 1.9473453767494404
Energy: 1.9480668442839704
Energy: 2.1476864766663404
Energy: 1.7928134811074696
Energy: 2.148220242210072
Energy: 2.0359369862712984
Energy: 1.7922444711718413
Energy: 1.7921657471562515
Energy: 2.049149659737203
Energy: 1.7921661060257013
Energy: 1.792169881392383
Energy: 1.979834842746068
Energy: 1.7912681199551397
Energy: 1.7916721806901816
Energy: 2.1200583021685526
Energy: 1.7912064879656455
Energy: 1.7920106832294693
Energy: 1.984464939518268
Energy: 1.7919915162202098
Energy: 1.7926858926946865
Energy: 1.9804557384691055
Energy: 1.9452703404621603
Energy: 1.981431730252621
Energy: 2.1547908032762098
Energy: 1.777010007870955
Energy: 1.777098859597016
Energy: 1.9483067679421175
Energy: 1.776596621453764
Energy: 1.7771394181813913
Energy: 1.7764811815980797
Energy: 1.7774382741146113
Energy: 1.7782028793557978
Energy: 1.7763774630778708
Energy: 1.777626271536766
Energy: 1.804304674909224
Energy: 1.7764976872511744
Energy: 1.7773650853773646
Energy: 1.7765551925818677
Energy: 1.7764840289654908
Energy: 1.8627379802237896
Energy: 1.776126341823923
Energy: 1.9424433154039507
Energy: 2.1554930307591125
Energy: 2.1587380505878246
Energy: 1.9428647618240207
Energy: 2.155489488008584
Energy: 1.836495579834371
Energy: 1.791707596097635
Energy: 1.8592874678946503
Energy: 1.8358434617539041
Energy: 1.7923522975482964
Energy: 2.156400035677745
Energy: 1.7932524744042655
Energy: 1.7925015666910404
Energy: 1.7936667836556597
Energy: 1.7933132515956351
Energy: 1.7925332044971216
Energy: 1.8990662150662068
Energy: 1.793128584325747
Energy: 1.7942715636987623
Energy: 2.3973795504284445
Energy: 2.0321094613812645
Energy: 1.7946381895920822
Energy: 2.0322704192901817
Energy: 2.033165687020533
Energy: 1.7804463935612784
Energy: 1.9079787291132102
Energy: 1.7806629041424693
Energy: 1.7804214998327712
Energy: 1.9087767802825437
Energy: 1.7802572374228849
Energy: 1.7780817864526952
Energy: 1.7825472967927531
Energy: 1.780899056905737
Energy: 1.7814753968413577
Energy: 1.9889122622991793
Energy: 1.7791325976432155
Energy: 1.7800600252591308
Energy: 1.9924165807599052
Energy: 1.991064298406613
Energy: 1.780136365760312
Energy: 1.9919802567988336
Energy: 1.9898172806901184
Energy: 1.8096112166002258
Energy: 1.9162949130720104
Energy: 1.9167597111053507
Energy: 1.809789660262836
Energy: 1.917832885929375
Energy: 1.9161185780902614
Energy: 1.8102115327997723
Energy: 1.7798079749003863
Energy: 1.7802164661785587
Energy: 1.8103779018163753
Energy: 1.7794457889810502
Energy: 1.8121225855628749
Energy: 2.1542168131725594
Energy: 1.7819496764347316
Energy: 1.7822195771910827
Energy: 2.0178595040229856
Energy: 1.781591439549889
Energy: 1.782255180234345
Energy: 2.1667171149346864
Energy: 1.7830311905866254
Energy: 1.7442568918891124
Energy: 2.165868278744516
Energy: 1.7849297510567
Energy: 1.753169127263572

minimum gb energy = 1.7442568918891124 eV
minimum distance =  2.57429875683231 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.8289182083872828
Energy: 1.7110050622003175
Energy: 1.832886349428976
Energy: 1.8317209267064916
Energy: 1.6784256970560731
Energy: 1.8326481387418116
Energy: 1.8301513902660735
Energy: 1.6794333381287165
Energy: 1.6798231835789001
Energy: 2.0006264745911917
Energy: 1.6796777480922642
Energy: 1.6805925060293347
Energy: 1.7447768684132952
Energy: 1.6793425152608075
Energy: 1.6794092554614002
Energy: 1.9001056245271308
Energy: 1.6813561889652535
Energy: 1.6794425753608793
Energy: 1.748288721531955
Energy: 1.6808025072139146
Energy: 1.6792516616067514
Energy: 1.7434524810679057
Energy: 1.9004477025365
Energy: 1.6803492979203916
Energy: 2.08955912052686
Energy: 1.7291422351820924
Energy: 1.7297033269835032
Energy: 1.824831673902701
Energy: 1.749177707131416
Energy: 1.7294009716371108
Energy: 1.7451768609641893
Energy: 1.6420355623387572
Energy: 1.727845629779845
Energy: 1.7479475365579877
Energy: 1.641434531675475
Energy: 1.729587465820239
Energy: 1.7451670312342014
Energy: 1.7492420417948265
Energy: 1.7494575911436523
Energy: 1.7475802122083661
Energy: 1.7287864567412237
Energy: 1.7500116180236582
Energy: 1.840652358334604
Energy: 1.8338894960934895
Energy: 1.8361980450230175
Energy: 1.8436088097783878
Energy: 1.831568860703186
Energy: 1.799551250093477
Energy: 1.679625806755965
Energy: 1.8338613033446642
Energy: 1.8011902261665005
Energy: 1.68040456269262
Energy: 1.83177652226261
Energy: 1.799841391428567
Energy: 1.679936094934953
Energy: 1.6794767238643429
Energy: 1.679510085783329
Energy: 1.679708242029456
Energy: 1.6799555001156385
Energy: 1.6797244827982747
Energy: 1.6778960381624812
Energy: 1.744581284393692
Energy: 1.7439607988449668
Energy: 1.678309518866031
Energy: 1.743917387889192
Energy: 1.9007536162954757
Energy: 1.7463549771825655
Energy: 1.7292658981841458
Energy: 1.7290154846924093
Energy: 1.7291157771265093
Energy: 1.7294730810325485
Energy: 1.6805307492691581
Energy: 1.6399638194355424
Energy: 1.749525311619905
Energy: 1.7483964766772242
Energy: 1.6406410583495699
Energy: 1.7476705741693617
Energy: 1.748503026284582
Energy: 1.7462421453041856
Energy: 1.7493519207545314
Energy: 1.7492937037259833
Energy: 1.7288667154163864
Energy: 1.7481263747061466
Energy: 1.749219094910221
Energy: 1.8293058031375025
Energy: 1.9002633641911164
Energy: 1.900873109815008
Energy: 1.8308906394404363
Energy: 1.819362345324211
Energy: 1.8002022989222064
Energy: 1.8291726974453397
Energy: 1.6795391242283708
Energy: 1.7995989302706412
Energy: 1.8308268585056078
Energy: 1.6792887774237795
Energy: 1.8364443449241687
Energy: 2.0896954531191985
Energy: 1.6795220349562832
Energy: 1.6798709025523926
Energy: 1.8992307865538847
Energy: 1.6793433339530408
Energy: 1.6793756503145028
Energy: 1.8161412883716048
Energy: 1.680709325290858
Energy: 1.6815880749749008
Energy: 1.8179875358397606
Energy: 1.6799153943364362
Energy: 1.6790287866293414
Energy: 1.8116241005633629
Energy: 1.682509171372774
Energy: 1.6793682150969478
Energy: 1.8097787614336265
Energy: 1.6814146780631551
Energy: 1.6799156025929078
Energy: 1.7449209030964796
Energy: 1.6415357545125406
Energy: 1.7298625950957192
Energy: 1.7467683260786144
Energy: 1.6412261270962099
Energy: 1.7270609451546395
Energy: 1.745366080784621
Energy: 1.7287492633386525
Energy: 1.7479324948567843
Energy: 1.7482872353156267
Energy: 1.7482397640938123
Energy: 1.7486358459411673
Energy: 1.7460762044277582
Energy: 1.9024212438383203
Energy: 1.7482568196498156
Energy: 1.747284891092942
Energy: 1.9987562642101933
Energy: 1.7294574192265044
Energy: 1.8240129388469357
Energy: 1.8316523797775177
Energy: 1.8327631979961498
Energy: 1.8200423675046655
Energy: 1.834210662488377
Energy: 1.832698712267242
Energy: 1.6797761598627792
Energy: 1.6790780415914508
Energy: 1.6801717334062634
Energy: 1.6796132754286115
Energy: 1.8307226360617754
Energy: 1.6812023985148719
Energy: 1.6809378203878576
Energy: 1.6795512615565127
Energy: 1.6798394944500552
Energy: 1.681169209004571
Energy: 1.6800216836797806
Energy: 1.6790883322819297
Energy: 1.819443688379718
Energy: 1.7441744223717879
Energy: 1.7441457729515009
Energy: 1.8211756346955634
Energy: 1.7438486676295886
Energy: 1.6804786460000163
Energy: 1.7456071965492432
Energy: 1.7291202128025023
Energy: 1.7294269632613224
Energy: 1.7481995241748218
Energy: 1.729429716267028
Energy: 1.729477372230845
Energy: 1.6404974514452901
Energy: 1.7488423822738828
Energy: 1.7501687570919529
Energy: 1.6409559294156586
Energy: 1.7487166026800542
Energy: 1.7270806878564857
Energy: 1.744894485548331
Energy: 1.749069069387647
Energy: 1.7494636521329823
Energy: 1.7287928619919035
Energy: 1.748502046867211
Energy: 1.7505747083599807
Energy: 1.8291030127683854
Energy: 1.9014167594792972
Energy: 1.799018946341755
Energy: 1.8309255341834538
Energy: 1.844947323648747
Energy: 1.832340200657255

minimum gb energy = 1.6399638194355424 eV
minimum distance =  2.46893911755521 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.7355266902075677
Energy: 1.7186735548836563
Energy: 1.7132052221584415
Energy: 1.7387535254860866
Energy: 1.5894012183990898
Energy: 1.7136612252491843
Energy: 2.0751202818527026
Energy: 1.600327470713293
Energy: 1.600489640079621
Energy: 1.8026757589615825
Energy: 1.5903234355397593
Energy: 1.599945122350135
Energy: 2.17065083858204
Energy: 1.5892399117793212
Energy: 1.589139820672437
Energy: 1.739222667118244
Energy: 1.5893542379975747
Energy: 1.5894767318644833
Energy: 2.0475245342795434
Energy: 1.5914427465497112
Energy: 1.5912413519061457
Energy: 1.7404190142489537
Energy: 1.8341174037100585
Energy: 1.7421375397699994
Energy: 1.8404451651198483
Energy: 1.7329861108252043
Energy: 1.7302195541029035
Energy: 1.6665948211007042
Energy: 1.7318413280011604
Energy: 1.5901105959179023
Energy: 1.5896321963462112
Energy: 1.7320967619011374
Energy: 1.7329571112120155
Energy: 1.5895131007522552
Energy: 1.7319337188572759
Energy: 1.7195718106058846
Energy: 1.5903539088823788
Energy: 1.7210761204092073
Energy: 1.590670341783033
Energy: 1.5902581777215141
Energy: 1.7844559496586467
Energy: 1.5898320422872123
Energy: 1.5992891999257495
Energy: 1.7325448379141315
Energy: 1.7325991478931473
Energy: 1.600249906803463
Energy: 1.7315059789132705
Energy: 1.5891945865491854
Energy: 1.6654067857770594
Energy: 1.7335235950626595
Energy: 1.6681435923356367
Energy: 1.599257442419813
Energy: 1.7693048489153747
Energy: 1.599531614575375
Energy: 1.5891076431936912
Energy: 1.6568504732400724
Energy: 1.653789159241461
Energy: 1.6650405502600285
Energy: 1.6660801852841944
Energy: 1.6642986764210155
Energy: 1.664222884949443
Energy: 1.664240039810895
Energy: 1.6636946944168927
Energy: 1.6646934569780532
Energy: 1.668420658066307
Energy: 1.665201376597059
Energy: 2.0751207043342164
Energy: 1.6695269528935723
Energy: 1.738915621460499
Energy: 1.8640642912581034
Energy: 1.6649046268448502
Energy: 1.723917574198608

minimum gb energy = 1.5891076431936912 eV
minimum distance =  2.57514167350725 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.394998877408119
Energy: 1.6539975375684963
Energy: 1.559482394084007
Energy: 2.133805396299087
Energy: 1.4072241790022173
Energy: 2.138821464729682
Energy: 1.6694569200021248
Energy: 1.408087121623928
Energy: 1.408579067608584
Energy: 1.716837842689869
Energy: 1.4078336169878702
Energy: 1.408852329644791
Energy: 1.716999036689216
Energy: 1.4100046729526052
Energy: 1.4079092100664288
Energy: 1.5076586140136443
Energy: 1.4121429562459393
Energy: 1.4080002736171926
Energy: 1.7235142826844532
Energy: 1.408224222089491
Energy: 1.40803806803077
Energy: 1.7012070136561988
Energy: 1.4089635554328417
Energy: 1.5121186625958787
Energy: 1.6212215743068974
Energy: 1.4597084519640433
Energy: 1.4053371762277258
Energy: 1.4065318809416025
Energy: 1.5644904028945412
Energy: 1.4058223866396906
Energy: 1.4062330370716793
Energy: 1.8701784862182025
Energy: 1.4043119742316867
Energy: 1.4063422729549113
Energy: 1.8706643608240232
Energy: 1.4046418758147305
Energy: 1.4015630330468027
Energy: 1.339682464581631
Energy: 1.402662489856887
Energy: 1.4024436918338004
Energy: 1.456976072990572
Energy: 1.4044323610089515
Energy: 1.403118055836887
Energy: 1.6959491168250878
Energy: 1.4036092539680827
Energy: 1.4031491502177136
Energy: 1.6961041310763862
Energy: 1.4047795613583718
Energy: 1.7338646985301256
Energy: 1.495828816134871
Energy: 1.429793463724913
Energy: 1.54113187959691
Energy: 1.5570198762424106
Energy: 1.4033305496069588
Energy: 1.9286210261743781
Energy: 1.4042250717963132
Energy: 1.404058058060373
Energy: 1.8765360078321183
Energy: 1.4436517516616283
Energy: 1.3924611421519313
Energy: 1.924117772947904
Energy: 1.4030062829495042
Energy: 1.4026781864311526
Energy: 1.5049270542646196
Energy: 1.40276320066701
Energy: 1.403219645464921
Energy: 1.821794563868195
Energy: 1.406455735515659
Energy: 1.406680400511017
Energy: 1.694249499979525
Energy: 1.4059601072967196
Energy: 1.4067751492087481
Energy: 2.1586238519204586
Energy: 1.4073062410260229
Energy: 1.5074509108188467
Energy: 2.007393094205123
Energy: 1.4073980054702337
Energy: 2.0085455133444605
Energy: 1.8221910778788102
Energy: 1.405991219582085
Energy: 1.406290769864968
Energy: 1.693919971689314
Energy: 1.4753335567957209
Energy: 1.3389804579635511
Energy: 1.4089713546021863
Energy: 1.5024758760470587
Energy: 1.503592413417891
Energy: 1.4088894087816382
Energy: 1.5092253626166576
Energy: 1.7001786954229443
Energy: 1.410496493328381
Energy: 1.444805617838776
Energy: 1.4076676058902258
Energy: 1.4113426664134683
Energy: 1.5224701648614043
Energy: 1.407660906159062
Energy: 1.4091121772646629
Energy: 1.3366206509210743
Energy: 1.422954243875973
Energy: 1.4091252918519326
Energy: 1.601432895562515
Energy: 1.40938456405813
Energy: 1.4616054313800377
Energy: 1.6931347335499298
Energy: 1.397254974492247
Energy: 1.4075975874618474
Energy: 2.005485755398394
Energy: 1.3976128615099006
Energy: 1.4614554859422746
Energy: 1.5135921706948505
Energy: 1.443153044445222
Energy: 1.4615334379646954
Energy: 1.622395385663115
Energy: 1.4078354847771335
Energy: 1.4635759786056994
Energy: 1.4609659427128758
Energy: 1.4610294243715085
Energy: 1.4650911560884634
Energy: 1.461405824344966
Energy: 1.4616703179065842
Energy: 1.461805854429113
Energy: 1.461765273836382
Energy: 1.462261474177838
Energy: 1.5124759519572992
Energy: 1.4618638765812202
Energy: 1.4975848381496129
Energy: 2.343415174157099
Energy: 1.4087778292481739
Energy: 1.3912373784163217
Energy: 1.398601077879325
Energy: 1.4090612257229145
Energy: 1.3973838511466965
Energy: 2.333096796915189
Energy: 1.4074847871562628
Energy: 1.4080063860513383
Energy: 1.460707216534231
Energy: 1.4074954207269836
Energy: 1.3917977495531109
Energy: 1.7181488769452367
Energy: 1.4080104632252455
Energy: 1.4085134060747633
Energy: 1.5069562073560765
Energy: 1.408360770604157
Energy: 1.408744806604337
Energy: 1.7158944188753797
Energy: 1.408547394905981
Energy: 1.5123782979661675
Energy: 1.6978497350423818
Energy: 1.4078440942428825
Energy: 1.70277850836255
Energy: 1.7178872539865433
Energy: 1.45759977756537
Energy: 1.3966013332194422
Energy: 1.453469430748257
Energy: 1.5099386014943053
Energy: 1.4344089394496196
Energy: 1.5529191470952295
Energy: 1.8730301911839171
Energy: 1.8708545638114757
Energy: 1.553135680628299
Energy: 1.877801399917989
Energy: 2.1407549760870346
Energy: 1.4073909910045146
Energy: 1.3397425007399082
Energy: 1.405412711681828
Energy: 1.4066013863706919
Energy: 1.5087596485630024
Energy: 1.4054823264496659
Energy: 1.4038453509510505
Energy: 1.4306167598020796
Energy: 1.4041261276341592
Energy: 1.403706575365311
Energy: 1.5568619861250703
Energy: 1.402973867690388
Energy: 2.0447443783697383
Energy: 1.6957075799167185
Energy: 1.5355429863140728
Energy: 2.048461101692197
Energy: 1.6962031467354957
Energy: 1.4045835787815495
Energy: 1.9251914221437574
Energy: 1.423598180973707
Energy: 1.4235417705682751
Energy: 1.5503242454484838
Energy: 1.4766609285288488
Energy: 1.423682058838369
Energy: 1.9256008579128177
Energy: 1.404205369874551
Energy: 1.4049153444528408
Energy: 1.875710601786311
Energy: 1.404551427927862
Energy: 1.392924015679264
Energy: 2.106179640904395
Energy: 1.4040892582890707
Energy: 1.4048160903945162
Energy: 1.5955318114530008
Energy: 1.403536674472364
Energy: 1.4024194656424103
Energy: 2.135805984870555
Energy: 1.4050848649202505
Energy: 1.4053599178131695
Energy: 1.6911207297298596
Energy: 1.4047201704774475
Energy: 1.3970967344667717
Energy: 2.151808836318422
Energy: 1.4068290847768694
Energy: 1.4014440192930664
Energy: 1.491885883558205
Energy: 1.4069735762420554
Energy: 1.4021867999672584
Energy: 1.7081080700820361
Energy: 1.5047118678612776
Energy: 1.5099239233021804
Energy: 1.7082633435674097
Energy: 1.5029781411570398
Energy: 1.5112899145384933
Energy: 1.4081911096784265
Energy: 1.5231800100662802
Energy: 1.40838843732364
Energy: 1.4094879803344422
Energy: 1.5074944374053516
Energy: 1.407810989773253
Energy: 1.4094189345607753
Energy: 1.463303622979381
Energy: 1.4087602035423523
Energy: 1.4090746774757197
Energy: 1.5096019273032482
Energy: 1.4074485536937005
Energy: 1.944243282053311
Energy: 2.0062961828187076
Energy: 2.007399839249403
Energy: 1.9446021385567216
Energy: 2.005978679057223
Energy: 1.3971059094302907
Energy: 1.4612231357794645
Energy: 1.4630600836176004
Energy: 1.4423514240756437
Energy: 1.4091922326681985
Energy: 1.507255784400741
Energy: 1.4096010470122047
Energy: 1.460134666192748
Energy: 1.4617201731263207
Energy: 1.4624457409388536
Energy: 1.4623779892302902
Energy: 1.4613932047057638
Energy: 1.4626324686276493
Energy: 1.4620576192114956
Energy: 1.4616854060750646
Energy: 1.4625300953473703
Energy: 1.4621674459779008
Energy: 1.461306505088805
Energy: 1.4624327787285225
Energy: 2.073629181936996
Energy: 1.4079940090728604
Energy: 1.4085809310763346
Energy: 1.4990633577838142
Energy: 1.4075885268321233
Energy: 1.392139898456327

minimum gb energy = 1.3366206509210743 eV
minimum distance =  2.5736118379267 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.9192437820739582
Energy: 0.8362228378850398
Energy: 0.669482882810492
Energy: 0.6137722144891059
Energy: 1.1321905254201823
Energy: 0.9499721728617949
Energy: 0.9213642048943822
Energy: 1.244397877057231
Energy: 1.2199747803114014
Energy: 1.1648145640023155
Energy: 1.1759596108817572
Energy: 1.1901222238784934
Energy: 1.2803201392736676
Energy: 1.1940315139946904
Energy: 1.1945752719351768
Energy: 1.1789388459683026
Energy: 1.1859972211129002
Energy: 1.1855769962112506
Energy: 1.2951310423404638
Energy: 1.1761130492868546
Energy: 1.18322408821236
Energy: 1.266219680653664
Energy: 1.1948774267264968
Energy: 1.177934869310701
Energy: 1.2332438560958827
Energy: 0.7684510442872039
Energy: 0.7736525210957109
Energy: 1.2335834993974197
Energy: 0.61014910251839
Energy: 1.0940131981003363
Energy: 1.1530078011704732
Energy: 0.7685063294101623
Energy: 0.7685456014013452
Energy: 1.2638113758913185
Energy: 0.6097807798717824
Energy: 0.6671285881804795
Energy: 1.149785013203392
Energy: 1.1248403619736764
Energy: 1.197480495904287
Energy: 1.1515178292780832
Energy: 1.1389469772705922
Energy: 1.1521032905526731
Energy: 1.203085297726801
Energy: 1.2082077502217414
Energy: 1.206312860470558
Energy: 1.2074464132781892
Energy: 1.2241868729637864
Energy: 1.2126188150951933
Energy: 1.2792160628646028
Energy: 1.291453768682378
Energy: 1.284671297051511
Energy: 1.189128092430959
Energy: 1.1986955614398935
Energy: 1.1899890918283753
Energy: 0.6096728348238267
Energy: 1.2605661117025322
Energy: 0.6691985123494778
Energy: 0.6096909415215785
Energy: 1.2639202091726252
Energy: 0.6107403843495987
Energy: 0.6097759438221255
Energy: 1.2033922701885587
Energy: 1.2023679026796992
Energy: 0.6100934161564622
Energy: 1.2033185384811917
Energy: 0.6670298284707369
Energy: 1.2807597285142205
Energy: 1.2272645156585629
Energy: 1.2329210401193478
Energy: 1.186368732623114
Energy: 1.202621177749848
Energy: 1.1994196952010563
Energy: 1.3027804065209387
Energy: 1.808095643018126
Energy: 1.8073552779810989
Energy: 1.8195763888938783
Energy: 1.8063105638147388
Energy: 1.8229085310155915
Energy: 1.2482000178475754
Energy: 1.1402622313009751
Energy: 1.14106948709679
Energy: 1.2496553400788375
Energy: 1.180825996276177
Energy: 1.1853842136293808
Energy: 1.2514962223753687
Energy: 0.6097361869448086
Energy: 0.609703737358
Energy: 1.3575079966513117
Energy: 0.7678869701348071
Energy: 0.7690933502467465
Energy: 1.1339543474583333
Energy: 1.1103399980870015
Energy: 1.1511514358424457
Energy: 1.1344690168312785
Energy: 0.7690746419473249
Energy: 1.188124766931148
Energy: 1.196215035737942
Energy: 1.1883818687089773
Energy: 1.1873669577418682
Energy: 1.183550565390021
Energy: 1.180899589226155
Energy: 1.1991334436917915
Energy: 1.2802329830256047
Energy: 1.292678625072643
Energy: 1.2600420868159072
Energy: 1.2707012331200263
Energy: 1.2680048741666565
Energy: 1.1737917164398461
Energy: 0.9201895120217748
Energy: 1.174466837274159
Energy: 1.2235686186976515
Energy: 0.6100211682563776
Energy: 1.2692796887870748
Energy: 1.1740498396527406

minimum gb energy = 0.6096728348238267 eV
minimum distance =  2.55513306208538 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.1349313869981845
Energy: 2.089530677469097
Energy: 1.8241818392005655
Energy: 1.596647965279048
Energy: 2.314394929779592
Energy: 1.8239720756327573
Energy: 1.4001674803571216
Energy: 1.3188034865523024
Energy: 1.3201374078649428
Energy: 1.47478641122705
Energy: 1.3188594978112091
Energy: 1.2869760747708958
Energy: 1.3262514486839145
Energy: 1.3260136466722614
Energy: 1.322624603409881
Energy: 1.3267720969425048
Energy: 1.3263342973247132
Energy: 1.2753718716762488
Energy: 1.3297987077200144
Energy: 1.3586138841961803
Energy: 1.2891695647523025
Energy: 1.3247145662076838
Energy: 1.3207808347037664
Energy: 1.323335516573025
Energy: 1.3187693003782197
Energy: 1.3806813172986652
Energy: 1.3043325514918271
Energy: 1.3187074567027002
Energy: 1.7479601078855072
Energy: 1.3690871647488538
Energy: 1.5116554029318525
Energy: 1.304351508586062
Energy: 1.303847500819734
Energy: 1.5115156847533417
Energy: 1.5857520223828818
Energy: 1.2746967793851713
Energy: 1.5881461870740392
Energy: 1.3582247420421063
Energy: 1.3572362607382356
Energy: 1.3200909156146408
Energy: 1.3631223342873124
Energy: 1.2942074817285953
Energy: 1.3931287339803704
Energy: 1.337702120768526
Energy: 1.340142480972891
Energy: 1.3957977085951485
Energy: 1.3361850381892453
Energy: 1.4384769426967738
Energy: 1.50786760096835
Energy: 1.274168852912167
Energy: 1.2735488496975667
Energy: 1.3803345962887692
Energy: 1.2768117257498055
Energy: 1.2443542653294408
Energy: 1.9076132245463249
Energy: 1.2755806726017356
Energy: 1.2752837035265738
Energy: 1.9093402840556168
Energy: 1.275481717387328
Energy: 1.3030790307726343
Energy: 2.0464684446013552
Energy: 1.274592391359644
Energy: 1.3877356669520895
Energy: 1.7445640097011899
Energy: 1.274619297551557
Energy: 1.3052567532560604
Energy: 1.6968901136460373
Energy: 1.245354640027011
Energy: 1.273904877900213
Energy: 1.5179584621516247
Energy: 1.254466061160873
Energy: 1.269218307054574
Energy: 1.3032363817251622
Energy: 1.2515196473383887
Energy: 1.2978266527216868
Energy: 1.30329861353243
Energy: 1.2524731545833654
Energy: 1.304615244050571
Energy: 1.305428016778557
Energy: 1.2216503051778858
Energy: 1.2462285154099364
Energy: 1.3056272365194335
Energy: 1.2216178768485366
Energy: 1.3036428342852469
Energy: 1.7461199363658408
Energy: 1.48414967588016
Energy: 1.5004921283692636
Energy: 1.303836259349975
Energy: 1.703315466412077
Energy: 1.7234575704883643
Energy: 1.9860779239708077
Energy: 1.3045403116436074
Energy: 1.2214365539759695
Energy: 1.5866291319302668
Energy: 1.4447531303920251
Energy: 1.2213858012893666
Energy: 1.7638373970686487
Energy: 1.5052326366010427
Energy: 1.3038564589590662
Energy: 1.7674121220408419
Energy: 1.552785201860467
Energy: 1.303792229691224
Energy: 1.9903080163866496
Energy: 1.305974584580931
Energy: 1.3358150562248532
Energy: 1.5920942358148162
Energy: 1.3054218184027837
Energy: 1.2587665065411995
Energy: 1.884275370468966
Energy: 1.3063193752397098
Energy: 1.3031703349567354
Energy: 1.4174445028915303
Energy: 1.3053883191274716
Energy: 1.3040790317404758
Energy: 1.5822444378214884
Energy: 1.5036564386865992
Energy: 1.3031855333787583
Energy: 1.583520782740757
Energy: 1.5033365060106383
Energy: 1.3043637919516373
Energy: 1.8836648284926696
Energy: 1.3044512905223185
Energy: 1.279881484217263
Energy: 1.4175067544645255
Energy: 1.5792329168822905
Energy: 1.2213501731554604
Energy: 1.697269809086488
Energy: 1.5968269073788743
Energy: 1.598218611859542
Energy: 1.6970590042050333
Energy: 1.5969258699965991
Energy: 1.2976763607122808
Energy: 1.275576327666654
Energy: 1.2687819883849287
Energy: 1.2234461101866696
Energy: 1.2757541912017587
Energy: 1.2693794259042868
Energy: 1.3202294290867889
Energy: 1.2758107815903443
Energy: 1.6046270716901703
Energy: 1.2753653898291095
Energy: 1.2759628448835292
Energy: 1.330095650589211
Energy: 1.2751162366229856
Energy: 1.3252975489356038
Energy: 1.3196980431109069
Energy: 1.3189652423365847
Energy: 1.3254219033194747
Energy: 1.330681184639327
Energy: 1.2755370920591875
Energy: 1.963174134463875
Energy: 1.3187756470828742
Energy: 1.4327616224419562
Energy: 1.8998605660728294
Energy: 1.318234379723771
Energy: 1.4043952846403807

minimum gb energy = 1.2213501731554604 eV
minimum distance =  2.52893094444656 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.1956839007846516
Energy: 1.9931305741320209
Energy: 1.993649514256289
Energy: 1.6187526977727478
Energy: 1.4530847933143072
Energy: 1.6107585384429859
Energy: 1.6158006115091597
Energy: 1.4707346592562862
Energy: 1.399944204614238
Energy: 1.7557983494688942
Energy: 1.470871844758129
Energy: 1.3998526883612699
Energy: 1.472823520182904
Energy: 1.4715980018017865
Energy: 1.453442589985279
Energy: 1.4749349709844273
Energy: 1.4712617473891652
Energy: 1.4022824268528726
Energy: 1.4709787171287403
Energy: 1.4012516538645667
Energy: 1.4033789421726153
Energy: 1.4709747490835148
Energy: 1.4530927064581467
Energy: 1.4009785681253273
Energy: 1.4536455191250304
Energy: 1.5869614121044955
Energy: 1.4004877884527003
Energy: 1.4533293581126776
Energy: 1.586768462656028
Energy: 1.4956692611692886
Energy: 1.9078521223137386
Energy: 1.3646212937835824
Energy: 1.3648117228679855
Energy: 1.453774583615983
Energy: 1.587246071509501
Energy: 1.3647885453986794
Energy: 1.849445845729724
Energy: 1.525476433193921
Energy: 1.3943651277845295
Energy: 1.4540633354762995
Energy: 1.5267844288166954
Energy: 1.402291834444661
Energy: 1.5832440419288965
Energy: 1.3685110054696858
Energy: 1.3685041413382506
Energy: 1.5809797585207608
Energy: 1.3687482321401352
Energy: 1.5441358904235085
Energy: 1.908115283123548
Energy: 1.367963604951611
Energy: 1.3680656953488683
Energy: 1.493349980886986
Energy: 1.3678275492086915
Energy: 1.3687082258786798
Energy: 1.8835200267871017
Energy: 1.368728973396582
Energy: 1.3684448108191463
Energy: 1.88258677425552
Energy: 1.3684981048921203
Energy: 1.3686238331136846
Energy: 1.8749422706512169
Energy: 1.3693092290296758
Energy: 1.4070813139863796
Energy: 1.8708466658736873
Energy: 1.36902304722344
Energy: 1.4405759610177322
Energy: 1.9427411727401276
Energy: 1.3310224347814195
Energy: 1.4401531616336862
Energy: 1.551415611193662
Energy: 1.3304834983258842
Energy: 1.3999548002037019
Energy: 1.3688787852263102
Energy: 1.3305981238814828
Energy: 1.386303370698351
Energy: 1.3684193276012662
Energy: 1.3301443957144632
Energy: 1.3860778954670359
Energy: 1.367035880150794
Energy: 1.4976778337737884
Energy: 1.367809135769004
Energy: 1.3702506421646827
Energy: 1.4288774707135738
Energy: 1.3683633284211827
Energy: 1.4827772063388198
Energy: 1.6758106075917598
Energy: 1.6794343924148805
Energy: 1.4825260728395302
Energy: 1.6708091624517458
Energy: 1.4831410928015512
Energy: 1.4800141228697
Energy: 1.469905841881726
Energy: 1.4002126210673516
Energy: 1.6269063921894293
Energy: 1.470766840713225
Energy: 1.4588015990465715
Energy: 2.178682499414303
Energy: 1.473658117953038
Energy: 1.331238343191344
Energy: 2.183592200084299
Energy: 1.8140773637663197
Energy: 1.3864759495197345
Energy: 1.6195423023569095
Energy: 1.4527843231873436
Energy: 1.4703200768993154
Energy: 1.8476264559348412
Energy: 1.4527712759351066
Energy: 1.5104021232498015
Energy: 1.47093290682167
Energy: 1.4527793523097112
Energy: 1.3925771080750184
Energy: 1.470869135561428
Energy: 1.4528073583141718
Energy: 1.4014350631378756
Energy: 1.4702478296818915
Energy: 1.4008945485174609
Energy: 1.4009101072797727
Energy: 1.4733121403704172
Energy: 1.4527440959320892
Energy: 1.4712044125557673
Energy: 1.4533461806307844
Energy: 1.5260332535035974
Energy: 1.6148268052632275
Energy: 1.4533619012484278
Energy: 1.5259450438417528
Energy: 1.4380683987282474
Energy: 1.8117322949014694
Energy: 1.7560410422741897
Energy: 1.756622116335843
Energy: 1.8123820366875831
Energy: 1.7555376488711312
Energy: 1.7983498578540777
Energy: 1.8521813275018872
Energy: 1.525913843120378
Energy: 1.3681881434941354
Energy: 1.4534417178982069
Energy: 1.526158504219564
Energy: 1.4352455669275137
Energy: 1.5842269738558723
Energy: 1.4810317240165982
Energy: 1.5176300063597166
Energy: 1.5808825162921527
Energy: 1.4799934208397483
Energy: 1.5815481132932252
Energy: 1.8640181913237117
Energy: 1.3681548620690958
Energy: 1.3680976244366827
Energy: 1.4711106906816138
Energy: 1.3679670130912973
Energy: 1.396379949441696
Energy: 1.873548086107764
Energy: 1.3687279511415649
Energy: 1.3694459708853817
Energy: 1.8713052791077378
Energy: 1.3686424135485538
Energy: 1.4078363503165567
Energy: 1.8828637706192821
Energy: 1.3689039108944
Energy: 1.3687618837020294
Energy: 1.8830755670365842
Energy: 1.550891876920232
Energy: 1.4417493075776597
Energy: 1.94813721658051
Energy: 1.3731733890531506
Energy: 1.3685931061139816
Energy: 1.6056226837855259
Energy: 1.3302186120770303
Energy: 1.433518493236573
Energy: 1.3688212336455998
Energy: 1.3880966449297603
Energy: 1.3867192352020288
Energy: 1.3687207012835927
Energy: 1.3859549842499286
Energy: 1.3881114371729137
Energy: 1.3680326869531563
Energy: 1.4973718947489454
Energy: 1.5048449576156062
Energy: 1.3681598775998414
Energy: 1.3989567142177868
Energy: 1.3694209035010017
Energy: 1.3686988677011858
Energy: 1.5556116642299682
Energy: 1.3690494057966753
Energy: 1.368694637546247
Energy: 1.4706175158299155
Energy: 1.3689221615708738
Energy: 1.4785608620205721
Energy: 1.4537532077964208
Energy: 1.3948726298801695
Energy: 1.4784381836792446
Energy: 1.454119669622723
Energy: 1.3911901493684988
Energy: 2.1167639819585617
Energy: 1.4549921461493378
Energy: 1.3314736298589374
Energy: 2.1165085080912607
Energy: 1.4538010318477579
Energy: 1.3743780472195697

minimum gb energy = 1.3301443957144632 eV
minimum distance =  2.52716988267994 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.798453329150597
Energy: 1.9165506442341809
Energy: 1.8742986208644135
Energy: 1.7467827750925224
Energy: 1.939331672079524
Energy: 1.9139842690052835
Energy: 1.8361740193641807
Energy: 1.5175614376888251
Energy: 1.4850785125939938
Energy: 1.4033759512783857
Energy: 1.518318451015541
Energy: 1.4726236529826318
Energy: 1.6487564299276691
Energy: 1.556576325761073
Energy: 1.4722894025639446
Energy: 1.649284016101635
Energy: 1.5575380384140098
Energy: 1.4975105473337476
Energy: 1.6471719889321303
Energy: 1.4948626416206912
Energy: 1.493595631860975
Energy: 1.6478947224870042
Energy: 1.641733329493242
Energy: 1.4927979410888086
Energy: 1.6167475846308739
Energy: 1.4449578562397318
Energy: 1.4794781857075652
Energy: 1.6154553186034721
Energy: 2.15451320476883
Energy: 1.618295290101612
Energy: 1.8779678661374193
Energy: 1.7163796927947035
Energy: 1.4059095510245743
Energy: 1.6387570681920964
Energy: 1.6283041072202833
Energy: 1.4062770050366011
Energy: 2.050143244502879
Energy: 1.4753790174452162
Energy: 1.479348297263522
Energy: 1.6397806385905218
Energy: 1.4785858681239605
Energy: 1.5115103264118355
Energy: 1.7996810289100573
Energy: 1.45733031012239
Energy: 1.4715746309759241
Energy: 1.8043168219935948
Energy: 1.4572729540399796
Energy: 1.3968120193736642
Energy: 1.8299626360213113
Energy: 1.4551858525593209
Energy: 1.4554478171828473
Energy: 1.651475510725562
Energy: 1.4602740094146158
Energy: 1.4583181574166248
Energy: 2.1666150486960234
Energy: 1.4570246496523063
Energy: 1.4574834124375857
Energy: 1.665108222779822
Energy: 1.457048940322622
Energy: 1.4573562523755879
Energy: 2.138558539004192
Energy: 1.4356211299605846
Energy: 1.4355646032039278
Energy: 1.634169289055628
Energy: 1.4932424581735404
Energy: 1.4765162531868086
Energy: 1.8802031748975407
Energy: 1.3663507400068247
Energy: 1.430316433740173
Energy: 1.8820310512218963
Energy: 1.3740440913073004
Energy: 1.3663475661809086
Energy: 1.6256931144430955
Energy: 1.367725690799166
Energy: 1.3663553913372861
Energy: 1.625482520525023
Energy: 1.3656587653425423
Energy: 1.3666771135765325
Energy: 1.630776566286155
Energy: 1.4801974204241244
Energy: 1.4749021706214689
Energy: 1.6340555947949558
Energy: 1.5331855525716584
Energy: 1.4753095450057083
Energy: 1.4147950326816239
Energy: 1.6511126964337375
Energy: 1.6508442312033622
Energy: 1.6453444364203023
Energy: 1.650670831092805
Energy: 1.5683809756177642
Energy: 1.6530833401384155
Energy: 1.6228825403673057
Energy: 1.4957276294869908
Energy: 1.4935002586414114
Energy: 1.623540922028192
Energy: 1.4949092806305182
Energy: 2.2309564018763397
Energy: 1.6209924550027477
Energy: 1.6355627230540903
Energy: 2.1523302290842796
Energy: 1.6209540023833895
Energy: 1.4069166254511638
Energy: 2.097234290173169
Energy: 1.641278410797172
Energy: 1.6864953613679228
Energy: 1.6389255958600617
Energy: 1.641032190244149
Energy: 1.4764358864264415
Energy: 1.6793191489367159
Energy: 1.8009592486872674
Energy: 1.3974010876957685
Energy: 1.6081637643676103
Energy: 1.7992751487010863
Energy: 1.5174268224727616
Energy: 1.4567510265884036
Energy: 1.680481643493072
Energy: 1.3970592041395677
Energy: 1.4567174828428993
Energy: 1.7990739585822324
Energy: 1.4580205298313809
Energy: 1.4589842915866653
Energy: 1.4950712803850925
Energy: 1.4563137069648104
Energy: 1.4589052470333392
Energy: 1.4963285960049966
Energy: 1.4556117601147245
Energy: 1.7042534849782869
Energy: 1.7273764883084781
Energy: 1.738461957146304
Energy: 1.7022605919304437
Energy: 1.72696630207077
Energy: 1.6993919462071132
Energy: 1.9720849901398967
Energy: 1.6287379834256617
Energy: 1.4774643671054404
Energy: 1.4376896150819216
Energy: 1.630494570366566
Energy: 1.4402099833564896
Energy: 1.7457933570071196
Energy: 1.8750162069926168
Energy: 1.6295993277293799
Energy: 1.3675253731500892
Energy: 1.8750364073129786
Energy: 1.366640795440574
Energy: 2.3889638906334523
Energy: 1.6389818847236977
Energy: 1.4762184907494627
Energy: 1.371332177993095
Energy: 1.6493116175473417
Energy: 1.4753504568247466
Energy: 1.655937400091703
Energy: 1.6323049432252086
Energy: 1.5082686370877245
Energy: 1.6576715294963371
Energy: 1.6263667547151375
Energy: 1.4759122989707103
Energy: 1.6482867086657453
Energy: 1.4942020794011897
Energy: 1.494618491264678
Energy: 1.650423650104708
Energy: 1.6642338330334259
Energy: 1.4966415249475273
Energy: 1.6202448484000749
Energy: 1.7341522057423795
Energy: 1.5776542700698417
Energy: 1.6203566539767496
Energy: 1.9466456683993878
Energy: 1.6207716055856252
Energy: 1.8659031491635487
Energy: 1.7163843533484753
Energy: 1.7174447603941339
Energy: 1.8894770836522743
Energy: 1.7185124261860785
Energy: 1.562001211495666
Energy: 2.005010701650885
Energy: 1.4759801965197685
Energy: 1.4765676869819644
Energy: 1.6414320653596222
Energy: 1.735995568390182
Energy: 1.517111973252029
Energy: 1.7989317897217925
Energy: 1.6902972411055797
Energy: 1.4919013556947416
Energy: 1.803963465583724
Energy: 1.6925257819384123
Energy: 1.6554338752981432
Energy: 1.8477311932127634
Energy: 1.4557496970990764
Energy: 1.4562380068307486
Energy: 1.6466969037282122
Energy: 1.4577145608669018
Energy: 1.4591588710859773
Energy: 2.175049652833414
Energy: 1.4572367968124855
Energy: 1.4572392793792668
Energy: 1.66496861854444
Energy: 1.4571355554806817
Energy: 1.4566971174383743
Energy: 2.1405165477736907
Energy: 1.4728089285554449
Energy: 1.4365107666568742
Energy: 1.6242926991518134
Energy: 1.6947257782995426
Energy: 1.4361986315089985
Energy: 2.126546416786659
Energy: 1.3662928328801578
Energy: 1.4299849051727245
Energy: 1.6493987108128587
Energy: 1.3724075403336717
Energy: 1.4757967199311515
Energy: 1.6217466992890488
Energy: 1.366848329694373
Energy: 1.3667899054027706
Energy: 1.6215161731762753
Energy: 1.3665458406728086
Energy: 1.3670910692383407
Energy: 1.6321365588873527
Energy: 1.4782756329775235
Energy: 1.4758436415954703
Energy: 1.6319177112529715
Energy: 1.60516328304459
Energy: 1.4758378268244827
Energy: 1.4752517793424786
Energy: 1.6556044525391191
Energy: 1.5006882248302398
Energy: 1.4768954699038532
Energy: 1.6586928807720247
Energy: 1.4997459122231467
Energy: 1.6599411956468333
Energy: 1.6222836358796466
Energy: 1.4964969507123478
Energy: 1.6666561724172315
Energy: 1.6238486160693326
Energy: 1.4927716307365588
Energy: 2.1528365025089173
Energy: 1.6202197147949642
Energy: 1.6213255441769299
Energy: 2.1545254783012204
Energy: 1.6206668862842164
Energy: 1.406602432264023
Energy: 2.147069203344311
Energy: 1.6577344124916706
Energy: 1.6844351595902147
Energy: 2.1506194291701632
Energy: 1.641043507412032
Energy: 1.4747783571238111
Energy: 1.6434033090545253
Energy: 1.6578194924160585
Energy: 1.3970855118438907
Energy: 1.4877824550372527
Energy: 1.8000059655730911
Energy: 1.5167630731875383
Energy: 1.452309520691494
Energy: 1.7998080248044974
Energy: 1.3973327124084305
Energy: 1.451477689840351
Energy: 1.7989173888225036
Energy: 1.3967157660522929
Energy: 1.452644872912302
Energy: 1.4552669853743636
Energy: 1.4521941867829153
Energy: 1.4539702107266435
Energy: 1.4931053431662356
Energy: 1.4519001301421495
Energy: 1.6907031933125138
Energy: 1.732910595997918
Energy: 1.9194637972105402
Energy: 1.6923685183702122
Energy: 1.729027681400896
Energy: 1.6980898224039653
Energy: 1.960698569259219
Energy: 1.5186094285015599
Energy: 1.4843890956356232
Energy: 1.5032523573115049
Energy: 1.5242757561309055
Energy: 1.472785815959444
Energy: 2.402980383005021
Energy: 1.7685312852857111
Energy: 1.3662588065428167
Energy: 1.3657177414008947
Energy: 1.7682315085578058
Energy: 1.413767761617015

minimum gb energy = 1.3656587653425423 eV
minimum distance =  2.5355917999597 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.8753142498726907
Energy: 1.407571620324378
Energy: 1.4074569076610621
Energy: 1.8794865949130333
Energy: 1.558602357529424
Energy: 1.8823421015368669
Energy: 1.923997344486385
Energy: 1.5764406327257678
Energy: 1.269223782996961
Energy: 1.2700150034849373
Energy: 1.5752382693134457
Energy: 1.2680736973136817
Energy: 1.5993003367935994
Energy: 1.1954854062766922
Energy: 1.2693361706969806
Energy: 1.5993086908706924
Energy: 1.1955695716792607
Energy: 1.2697110818080035
Energy: 1.597978149486155
Energy: 1.2692955803394557
Energy: 1.2697523671884097
Energy: 1.598226402749266
Energy: 1.2692087356193642
Energy: 1.2697439238298753
Energy: 1.5774232284498513
Energy: 1.2698523144187457
Energy: 1.269415624998467
Energy: 1.577178001420127
Energy: 1.2698072096945845
Energy: 1.5756226018374793
Energy: 1.5761607260257424
Energy: 1.2660293431304919
Energy: 1.5764566529954336
Energy: 1.5758582824678833
Energy: 1.5880655678389934
Energy: 1.576447025767612
Energy: 1.9244131915051943
Energy: 1.5756931748878755
Energy: 1.269360255781959
Energy: 1.6354723284266866
Energy: 1.5760336947948885
Energy: 1.2694589740875184

minimum gb energy = 1.1954854062766922 eV
minimum distance =  2.61103951552867 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.605408582020664
Energy: 2.1100099264583676
Energy: 1.8866401625772875
Energy: 1.669598624845427
Energy: 2.038468848874615
Energy: 1.9362044022539808
Energy: 1.8823778604552635
Energy: 1.840782271573926
Energy: 1.6946130376799728
Energy: 1.8069395503902936
Energy: 1.840383901968255
Energy: 1.7077524347037105
Energy: 1.598303239869851
Energy: 1.6453930061479474
Energy: 1.6141642225238686
Energy: 1.5377835735180727
Energy: 1.6461390032479921
Energy: 1.646091573810629
Energy: 1.5969776382084935
Energy: 1.6370794937265802
Energy: 1.5972301970995229
Energy: 1.595976848796557
Energy: 1.77985087080936
Energy: 1.5960279000333815
Energy: 1.5960074981704149
Energy: 1.7765079013815064
Energy: 1.59672604899238
Energy: 1.5971853096166893
Energy: 1.7599817199242216
Energy: 1.5959980541891245
Energy: 1.9642897946408175
Energy: 1.7998166740351966
Energy: 1.7922639841876629
Energy: 1.9706680907296676
Energy: 1.8277017753121259
Energy: 1.7150085300318012
Energy: 1.8596957415548374
Energy: 1.8535514309906544
Energy: 1.8252296268277215
Energy: 1.786328736265957
Energy: 1.8542069064506497
Energy: 1.8431060505675059
Energy: 2.444141853378276
Energy: 2.1414353657739484
Energy: 1.958974037486634
Energy: 1.637225008508631
Energy: 2.1441845386896
Energy: 1.7887588205301066
Energy: 1.859449163683604
Energy: 1.764774694116472
Energy: 1.8222788147256517
Energy: 1.8177845715171088
Energy: 1.8708956280555302
Energy: 1.8440734950783315
Energy: 2.28254153465536
Energy: 1.5945277960257223
Energy: 1.5945541609679255
Energy: 2.182346940227266
Energy: 1.5950500725836323
Energy: 1.8472804257942372
Energy: 1.9549217886590509
Energy: 1.7845474003460577
Energy: 1.668851729393113
Energy: 1.888378873058637
Energy: 1.6797107341239417
Energy: 1.835534744771588
Energy: 1.8320890113265762
Energy: 1.6972164930543312
Energy: 1.6969439269575224
Energy: 1.8325540444950728
Energy: 1.893128113569492
Energy: 1.754565205723245
Energy: 2.0098889547950436
Energy: 1.5867181399460952
Energy: 1.5872800948792236
Energy: 2.0327356317674496
Energy: 1.5871003379804427
Energy: 1.5876829379926662
Energy: 1.9965547432282937
Energy: 1.5879122062983997
Energy: 1.5877929264571415
Energy: 1.9320724431223297
Energy: 1.5891275252304404
Energy: 1.5881706989438156
Energy: 2.1482145654824585
Energy: 1.5903077629453086
Energy: 1.8391250363497644
Energy: 2.118215123138238
Energy: 1.5903256174077482
Energy: 1.6430753570344354
Energy: 1.860212768816929
Energy: 1.8228331738165737
Energy: 1.6378023777653017
Energy: 1.8638513315658212
Energy: 1.8233262901986835
Energy: 1.610097581088913
Energy: 2.1066680545932877
Energy: 1.7205205923181697
Energy: 1.7200395723965594
Energy: 2.1074575904602506
Energy: 1.6247749341666027
Energy: 1.8623681354681934
Energy: 1.9029628574098676
Energy: 1.8305199504936476
Energy: 1.699469142288979
Energy: 1.8063615247818028
Energy: 1.7526037837768393
Energy: 1.7364947489004747
Energy: 1.9780577271748325
Energy: 1.8355201615257053
Energy: 1.6699692067864018
Energy: 1.818893881159558
Energy: 1.8881742416950984
Energy: 1.5950731953692898
Energy: 1.701337793927006
Energy: 1.7177641341133902
Energy: 1.7168136114867816
Energy: 1.902198604951155
Energy: 1.71653572632058
Energy: 1.5952437514855873
Energy: 1.730543274517723
Energy: 1.7002156601452203
Energy: 1.676650955535615
Energy: 1.7467450940568516
Energy: 1.6997526683688544
Energy: 1.7247433340385314
Energy: 1.9684120530021236
Energy: 1.9979153695411913
Energy: 1.7149405234234598
Energy: 1.8714541762396604
Energy: 1.9897311681190073
Energy: 1.7147222387031709
Energy: 1.708977243171843
Energy: 1.685232297086441
Energy: 1.7095365548362669
Energy: 1.7123520694763084
Energy: 1.740407141104235
Energy: 1.7124760431599473
Energy: 1.742960545929187
Energy: 1.6316059985183
Energy: 1.6975870347020094
Energy: 1.7424437396240495
Energy: 1.6350414434016738
Energy: 1.7417160177728268
Energy: 1.8792862638830805
Energy: 1.6460487021956491
Energy: 1.7082161247022758
Energy: 1.875253259447556
Energy: 1.7736051915607252
Energy: 1.7178452899486534
Energy: 2.017572988634648
Energy: 2.09289215101018
Energy: 1.8558593457796013
Energy: 1.6493393059232526
Energy: 2.2247848425927215
Energy: 1.798649136885841
Energy: 1.825365627412104
Energy: 1.9371580976728768
Energy: 1.8554981746007737
Energy: 1.6492751061628304
Energy: 1.9372113032044818
Energy: 1.7990574629389555
Energy: 1.9632033355239444
Energy: 1.6464001023184118
Energy: 1.7185032422453483
Energy: 1.909992812726539
Energy: 1.858309486683935
Energy: 1.6455034764929755
Energy: 1.6044854403503181
Energy: 1.6619262906266605
Energy: 1.6078600866721249
Energy: 1.6041785989104749
Energy: 1.6613731932727505
Energy: 1.6049734290635238
Energy: 1.6091326403198083
Energy: 1.605764710480325
Energy: 1.604001410606247
Energy: 1.6119044455407179
Energy: 1.741534482143763
Energy: 1.6052051426522989
Energy: 1.6073365585905148
Energy: 1.9912345642537717
Energy: 1.8242844493622123
Energy: 1.6070434160447966
Energy: 2.1485584228254
Energy: 1.605807448869807
Energy: 1.7856207412959497
Energy: 1.7434035379821893
Energy: 1.8432133173465746
Energy: 1.7943711599307834
Energy: 1.7630431696616562
Energy: 1.8447633601995055
Energy: 1.8816691228176836
Energy: 1.9527449387259115
Energy: 1.8732250072044134
Energy: 1.6239165372578837
Energy: 1.9558868853006621
Energy: 1.719915253400893
Energy: 1.8156638487153893
Energy: 1.8540826497302414
Energy: 1.8258728686246044
Energy: 1.8924583772038235
Energy: 1.9123125660572313
Energy: 1.815166255666604
Energy: 2.2209496908705115
Energy: 1.78409730361583
Energy: 1.6648279623245683
Energy: 2.0339014581114894
Energy: 1.6795838077218928
Energy: 1.790741429025382
Energy: 1.874146950302914
Energy: 1.594928925687248
Energy: 1.594461041938098
Energy: 1.8743940145196878
Energy: 1.5945466972078814
Energy: 1.8470292321094908
Energy: 1.8356550691731528
Energy: 1.7381688826902695
Energy: 1.7762883657006292
Energy: 1.8380012928575955
Energy: 1.744898851917624
Energy: 1.780031944567755
Energy: 2.029259964908734
Energy: 1.5903309653967819
Energy: 1.5930314709735791
Energy: 2.0313392821379055
Energy: 1.588589630244752
Energy: 1.7104432235034028
Energy: 1.8484923542142337
Energy: 1.587724013756016
Energy: 1.5880235832993777
Energy: 1.8507909856578675
Energy: 1.5892372746874643
Energy: 1.5882106538227543
Energy: 1.977737158354706
Energy: 1.5883278174385107
Energy: 1.588043890174138
Energy: 1.7719969577936499
Energy: 1.588306947344209
Energy: 1.5875788854737394
Energy: 1.980740058949982
Energy: 1.7750545325643357
Energy: 1.640725320765017
Energy: 1.9826442301239127
Energy: 1.975187638515688
Energy: 1.6175713795633484
Energy: 1.8862688101851703
Energy: 1.772855287826282
Energy: 1.8046142114996713
Energy: 1.8865409725561315
Energy: 1.6942153270254416
Energy: 1.7603293011547305
Energy: 1.9848877763111858
Energy: 1.688367182862331
Energy: 1.7205402689236027
Energy: 1.9454216248851737
Energy: 1.6893015713819777
Energy: 1.86261514642777
Energy: 1.8292232607746552
Energy: 1.8481975830622037
Energy: 1.681671500484402
Energy: 1.808147105473568
Energy: 1.854051099687957
Energy: 1.6328798660233326
Energy: 2.2953949098466397
Energy: 1.71900319829814
Energy: 1.6634741349093976
Energy: 1.7498177915498456
Energy: 1.7153027667682017
Energy: 1.663623144699212
Energy: 1.8783731441788605
Energy: 1.7009424609299817
Energy: 1.6751314946999
Energy: 1.7023580126842108
Energy: 1.7055993185897071
Energy: 1.6997668426873551
Energy: 1.9747411504799142
Energy: 1.695242222744498
Energy: 1.7515680473854094
Energy: 1.9932482057873737
Energy: 1.7018656838825958
Energy: 1.7006710655070212
Energy: 1.7012294464139777
Energy: 1.8035826125680892
Energy: 1.641130490556544
Energy: 1.7012516194899552
Energy: 1.8464307785361642
Energy: 1.7023608592298325
Energy: 1.7353126420869016
Energy: 1.5856119623460918
Energy: 1.6433536708661147
Energy: 1.7338566658561347
Energy: 1.7355160597150163
Energy: 1.7334749168766124
Energy: 2.033337748690124
Energy: 1.616597132219013
Energy: 1.618865185978577
Energy: 2.115612828146648
Energy: 1.6999196562809127
Energy: 1.740021452511579
Energy: 1.8836067004507064
Energy: 1.8409712898674913
Energy: 1.8330221288060393
Energy: 1.7970638276283324
Energy: 1.8405768121811683
Energy: 1.7077001662860265

minimum gb energy = 1.5377835735180727 eV
minimum distance =  2.48507637143228 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.925943227789594
Energy: 1.9188068398738027
Energy: 1.7749418011385811
Energy: 1.7770646993249268
Energy: 1.8918527998589323
Energy: 1.918137838280092
Energy: 1.7374184584725443
Energy: 1.7405867389653313
Energy: 1.7046351755062918
Energy: 1.7006860964182071
Energy: 1.7414413698259708
Energy: 1.9256850396424063
Energy: 2.03320939158043
Energy: 1.7295174746172859
Energy: 1.6700382486443377
Energy: 1.6518830526804646
Energy: 1.7313210847191898
Energy: 2.055442192812357
Energy: 1.773391030535393
Energy: 1.714943917244397
Energy: 1.77144871441093
Energy: 1.7714396016031915
Energy: 1.7591652515898226
Energy: 1.7726437092868446
Energy: 1.7730747492882233
Energy: 1.8787594326276515
Energy: 1.7736173049608421
Energy: 1.7716510792202118
Energy: 1.7719513504375008
Energy: 1.7745303211394057
Energy: 1.7742817990332982
Energy: 1.756039501345224
Energy: 1.8352299303770494
Energy: 1.7709904233822482
Energy: 1.834593216263083
Energy: 1.8394470829791507
Energy: 2.230748720735944
Energy: 1.7774795977969553
Energy: 1.831786487378087
Energy: 1.8386422664077127
Energy: 1.7768266433939477
Energy: 1.8308405441071367
Energy: 2.4669239955335454
Energy: 2.0685218201778763
Energy: 2.0691697751919254
Energy: 1.6460106157100844
Energy: 2.057937415121623
Energy: 1.7660188948636804
Energy: 2.113466739884468
Energy: 1.766612669726855
Energy: 1.7006151742134812
Energy: 1.6986389473962493
Energy: 1.797973997323819
Energy: 1.6973339690589284
Energy: 1.8842573982907802
Energy: 1.5822552366624956
Energy: 1.5820436360118852
Energy: 1.8863896173398418
Energy: 1.6542044159706748
Energy: 1.6535477638365668
Energy: 1.6942954125449283
Energy: 1.5825906833461085
Energy: 1.582396391551498
Energy: 1.693972122240826
Energy: 1.6297165627941366
Energy: 1.6329778982886958
Energy: 1.7560257081704391
Energy: 1.9564924449173227
Energy: 1.7435787577411563
Energy: 1.7569848471916565
Energy: 1.9562832014497438
Energy: 1.8843303234574103
Energy: 2.1196106375788006
Energy: 1.798608151804903
Energy: 1.7983054003010415
Energy: 1.6694063484876314
Energy: 1.798487713983399
Energy: 1.6588425211221176
Energy: 1.810793243397476
Energy: 1.7982222280419382
Energy: 1.797624053599109
Energy: 1.7344306635964952
Energy: 1.798403408290905
Energy: 1.8202874742534683
Energy: 1.8046754196279142
Energy: 1.8409714366534151
Energy: 1.8233006595569046
Energy: 1.8364431880268788
Energy: 1.8342390372556334
Energy: 1.821798946561759
Energy: 1.8062920515716088
Energy: 1.8236797430408387
Energy: 1.8234742732551978
Energy: 1.8057422469533477
Energy: 1.8672837086914038
Energy: 1.8662024481170651
Energy: 2.0936745858625
Energy: 1.6455298573008454
Energy: 1.764053674225606
Energy: 2.0950540564340874
Energy: 1.6469691615117223
Energy: 1.764468566491307
Energy: 1.818942058555597
Energy: 1.8177341492869334
Energy: 1.8731366039520745
Energy: 1.8692718114300275
Energy: 1.8732401372673877
Energy: 1.9106431340251693
Energy: 1.6325470069923922
Energy: 1.8739607316795497
Energy: 1.653691073444116
Energy: 1.6337882343030716
Energy: 2.0087547577598546
Energy: 1.6537857346929719
Energy: 1.634532774282885
Energy: 1.8766328067524496
Energy: 1.6540783734106028
Energy: 1.696378540314287
Energy: 1.8809718301284426
Energy: 1.65403549765189
Energy: 1.7518512497475323
Energy: 1.8739914460542837
Energy: 1.8164674966563055
Energy: 1.8837632146428092
Energy: 1.8738561769034794
Energy: 1.88662492049953
Energy: 1.8006771751964286
Energy: 1.6729396758412747
Energy: 1.8009261438758437
Energy: 1.8025374779550039
Energy: 1.7314935240655018
Energy: 1.6546856755299009
Energy: 1.7966450533945098
Energy: 1.820074737631264
Energy: 1.820643638589341
Energy: 1.7963621510938037
Energy: 1.8732976730421138
Energy: 1.8322157454710026
Energy: 1.7482463011662774
Energy: 1.8804118700593169
Energy: 1.821617751499164
Energy: 1.8136490775295189
Energy: 1.914814248668992
Energy: 1.8215767006325587
Energy: 2.1283858161537794
Energy: 1.8630927310804692
Energy: 1.787861763155253
Energy: 2.055073743023588
Energy: 1.8059843219195473
Energy: 1.8445305405355892
Energy: 1.835675901137416
Energy: 1.806384097630134
Energy: 1.806554377392071
Energy: 1.7803505598890084
Energy: 2.137666321299669
Energy: 1.8622300150572075
Energy: 1.7563780019983977
Energy: 1.745914247110136
Energy: 1.7441246135344497
Energy: 1.8102018102454507
Energy: 1.7424378684324782
Energy: 1.8035046701433488
Energy: 2.078669180007864
Energy: 1.653806286724077
Energy: 1.6335841204023922
Energy: 2.0138207469496447
Energy: 1.571228513088731
Energy: 1.6325802840865156
Energy: 1.7932421625100314
Energy: 1.6537650846192882
Energy: 1.6532589696609252
Energy: 1.794021401793543
Energy: 1.5825561075610364
Energy: 1.5820721925045327
Energy: 1.7993649066746014
Energy: 1.8528759896527829
Energy: 1.859933007729347
Energy: 1.6980703560170136
Energy: 1.7062918241724065
Energy: 1.6984069222492357
Energy: 2.110644221123417
Energy: 1.979854282191972
Energy: 1.981433360077069
Energy: 2.1038905672880603
Energy: 1.7143834122292831
Energy: 2.03996863092008
Energy: 1.9049552072170988
Energy: 1.7694706733084387
Energy: 1.7689848544624223
Energy: 1.83746569637321
Energy: 1.7694189439716694
Energy: 1.7687989977899325
Energy: 1.9171258729727474
Energy: 1.687234530725595
Energy: 1.7272803764355626
Energy: 1.7710729882871366
Energy: 1.7692885391789173
Energy: 1.7263261832227481
Energy: 1.7848065792505345
Energy: 1.8575687108194872
Energy: 1.839155868930711
Energy: 1.7837145860767747
Energy: 2.2260989980965493
Energy: 1.862357450719718
Energy: 1.7853250278735981
Energy: 1.8410843000200379
Energy: 1.8380102590234118
Energy: 1.7837808290206372
Energy: 1.673421496289461
Energy: 1.8414499728207052
Energy: 2.1554077117116797
Energy: 1.6458270607673102
Energy: 1.6462024853146044
Energy: 2.0321767133685027
Energy: 1.6706024029937867
Energy: 1.7962127751194248
Energy: 1.8173603402916247
Energy: 1.7403983171509079
Energy: 1.7053883523993896
Energy: 1.7007634322831866
Energy: 1.7411163857268646
Energy: 1.9238830485721834
Energy: 1.7366954322919428
Energy: 1.8971488973386386
Energy: 1.774878618431417
Energy: 1.5448155945027329
Energy: 1.8889873661699108
Energy: 1.792009480976552

minimum gb energy = 1.5448155945027329 eV
minimum distance =  2.55507198395069 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.7987668296261496
Energy: 2.1846410375634284
Energy: 2.010513861875211
Energy: 1.790042007634091
Energy: 2.2776579603621565
Energy: 1.7899635181873708
Energy: 2.0233649654777395
Energy: 1.6668777342769825
Energy: 1.8140558230242965
Energy: 1.8902970198791287
Energy: 1.6663633793680068
Energy: 1.634911716102645
Energy: 1.628262309856462
Energy: 1.5649629230868738
Energy: 1.565172316612577
Energy: 1.703673500953039
Energy: 1.6569372926389119
Energy: 1.6335974656320122
Energy: 1.6071770559474023
Energy: 1.564692605298424
Energy: 1.6076920182870036
Energy: 1.6068784579817548
Energy: 1.9289754316445027
Energy: 1.606963321568104
Energy: 1.607136697001669
Energy: 1.740771850067136
Energy: 1.6854586403046508
Energy: 1.6070411033834358
Energy: 2.0337503881635715
Energy: 1.6070945980165412
Energy: 1.7821183593415264
Energy: 1.6066018800068282
Energy: 1.638059992618612
Energy: 2.0081564280321778
Energy: 1.646000089525938
Energy: 1.7413677535666614
Energy: 1.876506908628502
Energy: 1.6072128103338685
Energy: 1.6073082465534534
Energy: 1.872770107945857
Energy: 1.6074095448835426
Energy: 1.6077087548521545
Energy: 1.7501084911960452
Energy: 1.6078233403617668
Energy: 1.9330012443603763
Energy: 1.615903034538284
Energy: 1.6075049560705454
Energy: 1.6079113482326122
Energy: 1.8250859270938027
Energy: 1.7009540281966185
Energy: 1.6080487944473867
Energy: 1.6668020755583302
Energy: 1.800165036245107
Energy: 1.7015563684746364
Energy: 1.6643778942274976
Energy: 1.6292010068616594
Energy: 1.6981006131261502
Energy: 1.8013707903606877
Energy: 1.6291932786307681
Energy: 1.7808126223467877
Energy: 1.6463966054611303
Energy: 1.8503094897567312
Energy: 1.863549826934218
Energy: 1.6660281388334612
Energy: 2.0552867248473183
Energy: 1.8142651833632506
Energy: 1.7516559019594662
Energy: 1.8017834560140307
Energy: 1.6341920577079827
Energy: 1.9849896992208278
Energy: 1.9060838772380237
Energy: 1.633889026938185
Energy: 1.7514319215700516
Energy: 1.7858662075866016
Energy: 1.6452283786520585
Energy: 1.7955302709687255
Energy: 1.7875875398392522
Energy: 1.645128507573494
Energy: 1.9079412631196941
Energy: 1.7002019314560797
Energy: 1.7024403738959464
Energy: 1.874477368341092
Energy: 1.6998636624967403
Energy: 1.7014895366769969
Energy: 1.5601926348187467
Energy: 1.5897833401233865
Energy: 1.623159201306694
Energy: 1.560146284043591
Energy: 2.0213060754593934
Energy: 1.560107991291923
Energy: 1.561377556988129
Energy: 1.560983506082701
Energy: 1.5599858251811614
Energy: 1.5608797752346832
Energy: 1.7782039156626879
Energy: 1.559498376114639
Energy: 1.5601799227502304
Energy: 1.5606405687628733
Energy: 1.5611724199805717
Energy: 1.5604094756751663
Energy: 1.7089747762894942
Energy: 1.56079742595602
Energy: 1.9271510913388619
Energy: 1.85489868179807
Energy: 1.878484354039983
Energy: 1.8420437075155056
Energy: 1.7545778116812392
Energy: 1.6196854894894646
Energy: 1.9128624446198987
Energy: 1.7549508123006463
Energy: 1.7142934424942913
Energy: 1.9641785551930375
Energy: 1.7541644862348635
Energy: 1.6297372732172717
Energy: 1.964007215915761
Energy: 1.7144881244821473
Energy: 1.7130369754934636
Energy: 1.981180886112023
Energy: 1.841745318681492
Energy: 1.6966661929677695
Energy: 1.7886225245744647
Energy: 1.855461256369922
Energy: 1.825604190734999
Energy: 1.8446782563031248
Energy: 1.7553793739779204
Energy: 1.869690730621544
Energy: 2.0393222105695927
Energy: 1.6443672766780464
Energy: 1.6435450529976134
Energy: 2.039292475717222
Energy: 1.5909278692169977
Energy: 1.8428750815650017
Energy: 1.753902778691076
Energy: 1.8552853750975922
Energy: 1.856290343270204
Energy: 1.753663378698683
Energy: 1.7544635952423646
Energy: 1.857516717152877
Energy: 1.745321911630454
Energy: 1.8237817305400197
Energy: 1.670648210830551
Energy: 1.7453813359528356
Energy: 1.5604746056541132
Energy: 1.592819541985417
Energy: 1.7535343729820372
Energy: 1.5596982816584883
Energy: 1.5602422484161385
Energy: 1.753396878369697
Energy: 1.560142430858478
Energy: 1.5598263525689415
Energy: 1.7341565279621998
Energy: 1.5598127668121342
Energy: 1.5604511969966328
Energy: 1.7354946195162793
Energy: 1.5597742526736165
Energy: 1.5603462841188815
Energy: 1.7346540935439152
Energy: 1.7299670892277648
Energy: 1.7282683254984001
Energy: 1.7347093716160655
Energy: 1.5597734244725145
Energy: 1.6227996601484276
Energy: 1.7010590735337707
Energy: 1.701479752725152
Energy: 1.6341540754467199
Energy: 1.7009804491813731
Energy: 1.6652856799628828
Energy: 1.6337575039001115
Energy: 1.8305799990027263
Energy: 1.6042028357869762
Energy: 1.6039129092897428
Energy: 1.8313426735666776
Energy: 1.6747448957464448
Energy: 1.6299040599268788
Energy: 2.0117148192869085
Energy: 1.7131138466426237
Energy: 1.7016990359879718
Energy: 1.8910832566793183
Energy: 1.7474998815196658
Energy: 1.703449352127817
Energy: 2.0722260097954943
Energy: 2.17382409857267
Energy: 1.9194381049014293
Energy: 1.6469825425023528
Energy: 2.2579551499230277
Energy: 1.9160210869617829

minimum gb energy = 1.559498376114639 eV
minimum distance =  2.47263037815207 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.1505605579179514
Energy: 1.8012818002179491
Energy: 1.8016482017863398
Energy: 2.1524759965463782
Energy: 1.9333302871854137
Energy: 1.8013062527642316
Energy: 1.4870329802331825
Energy: 1.6170501132011714
Energy: 1.6174707327388065
Energy: 1.8495195250932384
Energy: 1.6166294075768994
Energy: 1.5913702250904962
Energy: 1.591026658927677
Energy: 1.4857655064633788
Energy: 1.4865985265266097
Energy: 1.7358742050042035
Energy: 1.4865999849016844
Energy: 1.5796864272685698
Energy: 1.5909559329340224
Energy: 1.4860148651276723
Energy: 1.4860066501542049
Energy: 1.5905096150935527
Energy: 1.864772289035919
Energy: 1.5905613093668545
Energy: 1.5912657434325121
Energy: 1.567410569814272
Energy: 1.5675881095144342
Energy: 1.59147808670775
Energy: 1.5666361571642526
Energy: 1.5675604933596885
Energy: 1.7836466711996566
Energy: 1.5673237111730804
Energy: 1.5673041516684725
Energy: 1.792049988236757
Energy: 1.591165964682637
Energy: 1.5675992783272936
Energy: 1.590774225557507
Energy: 1.5895959314835904
Energy: 1.5894057982398924
Energy: 1.5906310186521357
Energy: 1.5915656607294022
Energy: 1.5894178236238032
Energy: 1.5859575105893233
Energy: 1.6020545554536636
Energy: 1.5931742563469184
Energy: 1.6608665628865837
Energy: 1.5915941175803645
Energy: 1.5911934878025569
Energy: 1.7324708874067614
Energy: 1.5907309960805407
Energy: 1.590310099021756
Energy: 1.734149243681343
Energy: 1.6163560470575327
Energy: 1.591373306353513
Energy: 1.6192500761589363
Energy: 1.5849308279522425
Energy: 1.5846291124099516
Energy: 1.6205432806300206
Energy: 1.585956723911031
Energy: 1.7264900676966972
Energy: 1.5910935503047443
Energy: 1.7681983765867435
Energy: 1.7751610292473579
Energy: 1.7343443486140124
Energy: 1.8377183705597209
Energy: 1.8693404222889025
Energy: 2.2230321162379703
Energy: 1.6173429525704872
Energy: 1.6188021904127092
Energy: 2.222147849452481
Energy: 1.616756614506334
Energy: 1.681628553761209
Energy: 2.223529850920984
Energy: 1.8562293116201816
Energy: 1.6816731022026334
Energy: 2.225654504234856
Energy: 1.6196291888303025
Energy: 1.6817133689907375
Energy: 2.122580044366335
Energy: 1.6167065420860323
Energy: 1.5912595526838877
Energy: 1.7343135888969528
Energy: 1.616668672555309
Energy: 1.590364474560621
Energy: 1.5934131158909912
Energy: 1.4864036275953292
Energy: 1.4860351019410212
Energy: 1.5919450978094907
Energy: 1.485819634706737
Energy: 1.5798080008538862
Energy: 1.5900839586522852
Energy: 1.5668411081240274
Energy: 1.591206084200084
Energy: 1.5929190632995516
Energy: 1.767008474706357
Energy: 1.5905725578120733
Energy: 1.6193516714313065
Energy: 1.5669976809542043
Energy: 1.5665947947006864
Energy: 1.6193786592032766
Energy: 1.567362550694413
Energy: 1.5673848146364757
Energy: 1.8517296744741807
Energy: 1.5900538253447734
Energy: 1.5667248588022777
Energy: 1.7340403792718613
Energy: 1.589828074018636
Energy: 1.567330054510618
Energy: 1.9672682799308812
Energy: 1.5894014002769923
Energy: 1.5895927130080443
Energy: 1.5925478743527852
Energy: 1.5895056671314687
Energy: 1.5905074465803626
Energy: 1.5915759138955183
Energy: 1.5913542577872277
Energy: 1.590670222147536
Energy: 1.5918351037774812
Energy: 2.1699655913382934
Energy: 1.5912186839412599
Energy: 1.8518764575690612
Energy: 1.5902274542527288
Energy: 1.7756381557517125
Energy: 1.8529804481134708
Energy: 1.6163846753297857
Energy: 1.5906300025073778
Energy: 2.2646316460402
Energy: 1.5858266066230313
Energy: 1.5856421939289869
Energy: 2.265379902974168
Energy: 1.5862019414112938
Energy: 1.6713223879038297
Energy: 2.1201339750133426
Energy: 1.616541914640892
Energy: 1.5916009512016385
Energy: 1.733672020362585
Energy: 1.6175530408996712
Energy: 1.7758111752590227
Energy: 2.2236202798351052
Energy: 1.8511204332859368
Energy: 1.6817418285832328
Energy: 2.22617760958763
Energy: 1.7940596251212957
Energy: 1.6817340388400868

minimum gb energy = 1.4857655064633788 eV
minimum distance =  2.54244554561454 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.5369970386319673
Energy: 1.971476354068548
Energy: 1.9713245816086427
Energy: 1.6519560007369332
Energy: 2.1974974888097742
Energy: 2.0477945078501767
Energy: 1.779994875527461
Energy: 1.692273017493893
Energy: 1.6923555923679656
Energy: 1.88102579728146
Energy: 1.956518560806461
Energy: 1.6924959747068535
Energy: 2.2001658568383395
Energy: 1.510819753986653
Energy: 1.5104063984390683
Energy: 1.958179565035736
Energy: 1.7155654870815784
Energy: 1.5107831415824577
Energy: 1.692756639155778
Energy: 1.5108885087140136
Energy: 1.5106464798779011
Energy: 1.692143898817735
Energy: 1.7156901686011996
Energy: 1.6917336091075852
Energy: 1.4985181187392065
Energy: 1.7113422103287856
Energy: 1.7084164470776873
Energy: 1.5016222748008101
Energy: 1.711078767935864
Energy: 1.7082932631280994
Energy: 1.510576652390227
Energy: 1.4559691688235414
Energy: 1.45811962498841
Energy: 1.6416355396278266
Energy: 1.4555494425605024
Energy: 1.6408214676587694
Energy: 1.620946707802878
Energy: 1.4550747836209132
Energy: 1.4551004856758705
Energy: 1.622540812046659
Energy: 1.4556674596792532
Energy: 1.4557085720205505
Energy: 1.456253220094748
Energy: 1.6655589596958191
Energy: 1.838511059644172
Energy: 1.8310292719148105
Energy: 1.667564145547935
Energy: 1.6627152124029412
Energy: 1.4555086694665442
Energy: 1.6829998056467927
Energy: 1.4588793360888916
Energy: 1.4552442211416095
Energy: 1.6651743734256286
Energy: 1.4551521034103896
Energy: 1.4549946931671847
Energy: 1.4580646132813175
Energy: 1.4560776993713773
Energy: 1.4551569279486707
Energy: 1.4562914518798964
Energy: 1.4556326478117507
Energy: 1.7770255503945116
Energy: 1.664146763886997
Energy: 1.456175613088265
Energy: 1.9373997317276117
Energy: 1.6639114527267411
Energy: 1.456045747766703
Energy: 1.7935796335338583
Energy: 1.6919306166451822
Energy: 1.6919500963392538
Energy: 1.794076315643206
Energy: 1.692190233814178
Energy: 1.691779824434955
Energy: 1.6589681958954468
Energy: 1.6930223736635992
Energy: 1.6929893729794077
Energy: 1.659244174973884
Energy: 1.6923916628346032
Energy: 1.6927577992494955
Energy: 1.955261150821495
Energy: 1.6913521894578922
Energy: 1.691817781169581
Energy: 1.9566675857342317
Energy: 1.8780032966482683
Energy: 1.6926133136687147
Energy: 2.1991804686229988
Energy: 1.6736080026333964
Energy: 1.6738867227943721
Energy: 2.1982263705397127
Energy: 1.6739789066846953
Energy: 1.80986195232205
Energy: 2.1568712652173856
Energy: 1.8774172877840063
Energy: 1.9644551541914297
Energy: 1.9569650534068173
Energy: 1.881479308829293
Energy: 1.692758002819882
Energy: 1.7155487477959306
Energy: 1.6925545688578008
Energy: 1.8391755770920772
Energy: 1.7130417787524934
Energy: 1.8312150193182324
Energy: 1.868034631802232

minimum gb energy = 1.4549946931671847 eV
minimum distance =  2.53417480646366 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.7443638576776967
Energy: 1.955976383064593
Energy: 1.6725296970635004
Energy: 1.6721268159690386
Energy: 2.120609769321249
Energy: 1.6731504156339414
Energy: 1.702727901337653
Energy: 1.7357957573418092
Energy: 1.7360105047312715
Energy: 1.95498937476988
Energy: 1.8583482673731302
Energy: 1.7354901072447997
Energy: 2.0708737274957962
Energy: 1.6015854243052814
Energy: 1.5663119037015327
Energy: 1.9329006174110304
Energy: 1.6010335141857788
Energy: 1.5671629096346626
Energy: 1.7161508151413465
Energy: 1.5675757759756166
Energy: 1.5673151681790192
Energy: 1.717432305110775
Energy: 1.5398363693068071
Energy: 1.5671745782747941
Energy: 1.6015760138638298
Energy: 1.6960637666281355
Energy: 1.694063958642516
Energy: 1.6031675313125302
Energy: 1.6969413405644305
Energy: 1.4758356011181002
Energy: 1.5499395487831096
Energy: 1.4758452274536613
Energy: 1.602502802143168
Energy: 1.3827008481078236
Energy: 1.4766746748586488
Energy: 1.6022657098339292
Energy: 1.5513793255187247
Energy: 1.476941286018777
Energy: 1.4763548756426061
Energy: 1.5513020915210844
Energy: 1.4786252559676343
Energy: 1.4591540124572664
Energy: 1.3580693028192812
Energy: 1.7236691175185421
Energy: 1.5751150504610176
Energy: 1.759866918021693
Energy: 1.7239346825732464
Energy: 1.5746867372935343
Energy: 1.3587647221908656
Energy: 1.6668842705825018
Energy: 1.3559602260501444
Energy: 1.3599204289192321
Energy: 1.612807583050778
Energy: 1.3565854303944063
Energy: 1.3555844408355704
Energy: 1.747410784857974
Energy: 1.752968309680988
Energy: 1.355653218604912
Energy: 1.7473273793316444
Energy: 1.7505410040998959
Energy: 1.6465667943224689
Energy: 1.356024098309628
Energy: 1.5764947795204942
Energy: 1.7478732937692039
Energy: 1.3555106614425727
Energy: 1.7499454752681942
Energy: 1.6140837027978048
Energy: 1.3568235560736865
Energy: 1.35618706170148
Energy: 1.611138654150336
Energy: 1.3569455692413233
Energy: 1.3561970999667772
Energy: 1.6104691220408207
Energy: 1.7599761886047525
Energy: 1.7585645700584265
Energy: 1.612987632138894
Energy: 1.7608309328516558
Energy: 1.7623169146906406
Energy: 1.4773213998861219
Energy: 1.7866101723605343
Energy: 1.4577135341631435
Energy: 1.478476195789944
Energy: 1.5487948232031878
Energy: 1.4762133317294033
Energy: 1.4764146897769315
Energy: 1.7592637997424223
Energy: 1.5761236349091061
Energy: 1.475772682694739
Energy: 1.5760764958533295
Energy: 1.476480191310912
Energy: 1.9915233096062335
Energy: 1.602462546045301
Energy: 1.4756534149006884
Energy: 1.9017378929460935
Energy: 1.603880731685898
Energy: 1.4762434511018847
Energy: 1.6383294338517336
Energy: 1.7376093729309436
Energy: 1.7363994663553108
Energy: 1.6351974319882132
Energy: 1.73731328415688
Energy: 1.4758368497297443
Energy: 1.6386809425654367
Energy: 1.7367511920264298
Energy: 1.7371772852816552
Energy: 1.6346881409794474
Energy: 1.737028228337128
Energy: 1.475245690621439
Energy: 1.9590241677563032
Energy: 1.736199551432619
Energy: 1.4754275050714643
Energy: 1.955995350641607
Energy: 1.7026274132590338
Energy: 1.7345730780351392
Energy: 2.2435366977039615
Energy: 1.6919029455679975
Energy: 1.69207189077149
Energy: 2.2429076137908
Energy: 1.6924393051741693
Energy: 1.7299294539289032
Energy: 2.0787004289820254
Energy: 1.9562194771912655
Energy: 1.7352194833972194
Energy: 1.955471382837557
Energy: 1.8468464775322313
Energy: 1.733498866228654
Energy: 1.725819264340787
Energy: 1.7132317756119682
Energy: 1.8999739630914578
Energy: 1.7290423375171236
Energy: 1.8346504421978214
Energy: 1.5678383155976539
Energy: 1.6314113476968353
Energy: 1.7366474626052801
Energy: 1.7367310339684292
Energy: 1.6308368727071176
Energy: 1.8596702713937754
Energy: 1.8990649427707205
Energy: 2.0677672685043413
Energy: 1.5395443919965581
Energy: 1.7350235879231144
Energy: 1.9565895365387476
Energy: 1.539641631514142
Energy: 1.7344784918720855
Energy: 1.7129556961154775
Energy: 1.6016946133847851
Energy: 1.5665628078401197
Energy: 1.7126520964087706
Energy: 1.6036861394017075
Energy: 1.5671037280658453
Energy: 1.6027593439054335
Energy: 1.6946570822222216
Energy: 1.4772940362834106
Energy: 1.6027075934313677
Energy: 1.6021557483700481
Energy: 1.6951338804034448
Energy: 1.5482008803133611
Energy: 1.6944517811597992
Energy: 1.694399705211731
Energy: 1.3825727436769466
Energy: 1.8170603488817443
Energy: 1.6025538335928537
Energy: 1.5463678207991849
Energy: 1.4769960140674507
Energy: 1.4766183510056088
Energy: 1.5457776255029099
Energy: 1.4791715526070506
Energy: 1.4766438713942232
Energy: 1.3560239305629245
Energy: 1.4583334076196681
Energy: 1.586786134145435
Energy: 1.6036121635159017
Energy: 1.5099296729584293
Energy: 1.5870712690443722
Energy: 1.3565485480945716
Energy: 1.7217698836127289
Energy: 1.3557793923411907
Energy: 1.356633227478107
Energy: 1.7238546914156487
Energy: 1.3560103656853715
Energy: 1.35637683206581
Energy: 1.7518456406529612
Energy: 1.7493438432212427
Energy: 1.356494298172127
Energy: 1.6458621046865034
Energy: 1.356426244987099
Energy: 1.5372818917217361
Energy: 1.7209652676357743
Energy: 1.7237449196823111
Energy: 1.6675417803687977
Energy: 1.356599538539222
Energy: 1.7234848126535003
Energy: 1.5640596036607937
Energy: 1.3567731249130477
Energy: 1.3562478908768276
Energy: 1.5649950278217626
Energy: 1.3587869637233563
Energy: 1.35575328957742
Energy: 1.6143510704077202
Energy: 1.7594155564924039
Energy: 1.7595278481578087
Energy: 1.3558982607140533
Energy: 1.3560887605769014
Energy: 1.7602347165012782
Energy: 1.4763623191648751
Energy: 1.7878977019346467
Energy: 1.7873590996273494
Energy: 1.476393637722062
Energy: 1.8278302129454878
Energy: 1.5868205095161527
Energy: 1.476696671774713
Energy: 1.575242189607957
Energy: 1.476286566751035
Energy: 1.47639590185325
Energy: 1.6562923801739298
Energy: 1.4784994511436762
Energy: 1.9549118040690963
Energy: 1.4758163428550337
Energy: 1.4760354803299423
Energy: 1.8361573397888529
Energy: 1.5464212758310174
Energy: 1.4765388600087954
Energy: 1.5411390896829376
Energy: 1.7364789551382063
Energy: 1.7370567711072022
Energy: 1.622802902459802
Energy: 1.7351671759768963
Energy: 1.7358134256443927
Energy: 1.6355980762481548
Energy: 1.7140093483976948
Energy: 1.6920828100526744
Energy: 1.476777746794731
Energy: 2.1355380283039196
Energy: 1.6921573753218146
Energy: 1.8369483152763468
Energy: 1.7355788313280698
Energy: 1.7360635063043683
Energy: 1.8382582846684585
Energy: 1.7353557120163954
Energy: 1.6448902448582752
Energy: 1.930648660681736
Energy: 1.593619420577248
Energy: 1.730057702777333
Energy: 1.9311788597974908
Energy: 1.4770557708802252
Energy: 1.7300624631008898
Energy: 2.0668596827510903
Energy: 1.598266838854495
Energy: 1.7305038256017582
Energy: 1.9331150383081872
Energy: 1.7028378005120512
Energy: 1.7349975569671132
Energy: 1.5383347413424389
Energy: 1.7367049449106424
Energy: 1.7361821190817825
Energy: 1.5377383625080983
Energy: 1.8597786165778245
Energy: 1.8989810543687158

minimum gb energy = 1.3555106614425727 eV
minimum distance =  2.53158936872882 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.5721992727725107
Energy: 1.9548325051390905
Energy: 1.6450198403767244
Energy: 1.7870809624065953
Energy: 2.0235363206088426
Energy: 1.6446704853524172
Energy: 1.9372055631757892
Energy: 1.7147887372755117
Energy: 1.7142679833275631
Energy: 1.9004240789076687
Energy: 1.8131046935341402
Energy: 1.7164200646001153
Energy: 1.995843877461796
Energy: 1.3907464093783188
Energy: 1.576677299910187
Energy: 1.9047537695701424
Energy: 1.499752607907293
Energy: 1.5582422973750107
Energy: 1.709561923174591
Energy: 1.3896092255186119
Energy: 1.5597796380198816
Energy: 1.709619644172328
Energy: 1.4359257214135879
Energy: 1.5582934324090225
Energy: 1.5432238174665185
Energy: 1.67317634547151
Energy: 1.4826044670276144
Energy: 1.5451442819436754
Energy: 1.6070287576773308
Energy: 1.4855028159201942
Energy: 1.5839870115229495
Energy: 1.476843088978095
Energy: 1.5794109485136778
Energy: 1.4934723068421292
Energy: 1.4756838979573559
Energy: 1.576560585274941
Energy: 1.8450174808648392
Energy: 1.4838054540773393
Energy: 1.483957396095967
Energy: 1.8420227431064249
Energy: 1.4834727610343381
Energy: 1.4880810057420601
Energy: 1.8113480122612247
Energy: 1.2964598738532955
Energy: 1.4945973060735633
Energy: 1.709202313886719
Energy: 1.296277529250284
Energy: 1.538757624092411
Energy: 1.34863739155231
Energy: 1.4301793734893742
Energy: 1.344350928404146
Energy: 1.3451993533075226
Energy: 1.4391861674593553
Energy: 1.3450277938041522
Energy: 1.3445370970476047
Energy: 1.6875259336324402
Energy: 1.6875261735390334
Energy: 1.3443519486287911
Energy: 1.6742519551551844
Energy: 1.4947508949096544
Energy: 1.5120932326350924
Energy: 1.2842347802157552
Energy: 1.4821853534812002
Energy: 1.6338608227989975
Energy: 1.2840280936883828
Energy: 1.481916487680854
Energy: 1.5903707574694776
Energy: 1.2838570120914103
Energy: 1.2837726092623667
Energy: 1.5810730496910679
Energy: 1.2833459865751715
Energy: 1.653515904577049
Energy: 1.5840377019158864
Energy: 1.6295570594796178
Energy: 1.630509929680755
Energy: 1.5880973280892967
Energy: 1.6298672290432332
Energy: 1.6291786502690029
Energy: 1.2841577766200167
Energy: 1.6065687784046603
Energy: 1.28332252139065
Energy: 1.2867858071149019
Energy: 1.6083007184859983
Energy: 1.2839678453584484
Energy: 1.2833294232994958
Energy: 1.2899363996413835
Energy: 1.2854892137720102
Energy: 1.2832705555910637
Energy: 1.2868473483444656
Energy: 1.482202809712337
Energy: 1.7129460054139878
Energy: 1.3453989781148914
Energy: 1.536541628355431
Energy: 1.6889555322457612
Energy: 1.3453087243502202
Energy: 1.6878842530877125
Energy: 1.4806029468705335
Energy: 1.3457900545983785
Energy: 1.3452544047669937
Energy: 1.4824066809735705
Energy: 1.3457374629870138
Energy: 1.3441250157722073
Energy: 1.4399835291872958
Energy: 1.7098260382504988
Energy: 1.7123547949574842
Energy: 1.4393674963346887
Energy: 1.7128774266181812
Energy: 1.3430084737373031
Energy: 1.4856313026458807
Energy: 1.7776676858887683
Energy: 1.484189842629399
Energy: 1.485133049666933
Energy: 1.4568331309569673
Energy: 1.4778567140510135
Energy: 1.896930555463262
Energy: 1.541701597208367
Energy: 1.540901951802993
Energy: 1.8971713098977114
Energy: 1.541712653002009
Energy: 1.4747884312761887
Energy: 1.9305839086760543
Energy: 1.7362369816297287
Energy: 1.6707421471795558
Energy: 1.7637275921201796
Energy: 1.7379486184670119
Energy: 1.481377918350589
Energy: 1.5012831489361085
Energy: 1.7160565995776471
Energy: 1.5855452605847493
Energy: 1.5032947486736588
Energy: 1.7156521254064574
Energy: 1.474334142279397
Energy: 1.5184183812739354
Energy: 1.7152410853974698
Energy: 1.707513672492064
Energy: 1.518187896913054
Energy: 1.7145553609702626
Energy: 1.7105681769850676
Energy: 1.9033216944092932
Energy: 1.8506761805121141
Energy: 1.4818514360967499
Energy: 1.908615230245667
Energy: 1.6193798238726398
Energy: 1.707424279576954
Energy: 1.995220452865123
Energy: 1.667389895708602
Energy: 1.6667960959812138
Energy: 1.899604245359307
Energy: 1.4831466655698855
Energy: 1.7066453529964807
Energy: 1.9467526404961395
Energy: 1.7147401917562257
Energy: 1.7148163001671306
Energy: 1.901309175709591
Energy: 1.905311233593692
Energy: 1.7159197319238497
Energy: 1.5612772751542383
Energy: 1.7071912219293346
Energy: 1.7511715277741697
Energy: 1.5845661493970231
Energy: 1.812047219427043
Energy: 1.5596667899138223

minimum gb energy = 1.2832705555910637 eV
minimum distance =  2.54640720116707 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.466092210456732
Energy: 1.8301122432961838
Energy: 1.6329780087472026
Energy: 1.6017587107473772
Energy: 1.960043077013063
Energy: 1.6848933353332816
Energy: 1.7656808602498233
Energy: 1.5946600362212342
Energy: 1.5947709484535226
Energy: 1.7388313390152372
Energy: 1.7398618463424216
Energy: 1.595093926803976
Energy: 1.8092614355675962
Energy: 1.4099027765041918
Energy: 1.3409736780274017
Energy: 1.6738749557938783
Energy: 1.4229232974138735
Energy: 1.4918462313790894
Energy: 1.5948283443070022
Energy: 1.3412443084408505
Energy: 1.3409247008097473
Energy: 1.5944327860118779
Energy: 1.4229580712254113
Energy: 1.478851266088737
Energy: 1.577331071280989
Energy: 1.487695157873351
Energy: 1.412700809198844
Energy: 1.5675196028374307
Energy: 1.488194035330343
Energy: 1.4116149320348135
Energy: 1.3436411225857838
Energy: 1.4119765301293807
Energy: 1.488986274626039
Energy: 1.4973737834655771
Energy: 1.412193398906945
Energy: 1.4052286464068342
Energy: 1.6797306567117776
Energy: 1.410574516373885
Energy: 1.4105757164142023
Energy: 1.5984046846191369
Energy: 1.410884091556855
Energy: 1.4107445450511495
Energy: 1.6713510432366372
Energy: 1.4895791515672716
Energy: 1.2446492898574613
Energy: 1.5823991798701287
Energy: 1.1848093401674837
Energy: 1.403194257260793
Energy: 1.2939874984456492
Energy: 1.5374874559068044
Energy: 1.2943310376791104
Energy: 1.2939647960692484
Energy: 1.2745271399209017
Energy: 1.293956371833915
Energy: 1.335274489262393
Energy: 1.5405049772061155
Energy: 1.397451867833841
Energy: 1.410669276135005
Energy: 1.5405281241551703
Energy: 1.5356936522277516
Energy: 1.3491084972040766
Energy: 1.2148776125609944
Energy: 1.2149993987687369
Energy: 1.4702298676042118
Energy: 1.2149385228656837
Energy: 1.3525186664910953
Energy: 1.501662833315639
Energy: 1.2149383511024423
Energy: 1.2149341754348724
Energy: 1.5016603338132386
Energy: 1.2149144676523675
Energy: 1.5141271846136208
Energy: 1.4811740716285122
Energy: 1.4669527247975813
Energy: 1.4777523236744807
Energy: 1.479520401001988
Energy: 1.467319249860913
Energy: 1.4783661812914093
Energy: 1.169561450434636
Energy: 1.3798834820503845
Energy: 1.1677242507929644
Energy: 1.1687165210744639
Energy: 1.3816249196466852
Energy: 1.1680034026248414
Energy: 1.1681670633334298
Energy: 1.4561283174524986
Energy: 1.4560785981846518
Energy: 1.168020103360101
Energy: 1.4566711920094995
Energy: 1.4560251893954648
Energy: 1.2759050916043626
Energy: 1.1457477674480747
Energy: 1.1457155003509367
Energy: 1.2770306969144334
Energy: 1.1458242793330422
Energy: 1.470656632440126
Energy: 1.3142404200564517
Energy: 1.1460117259484053
Energy: 1.145879931069803
Energy: 1.31412915393032
Energy: 1.1458148071013003
Energy: 1.4740524442220695
Energy: 1.5346633245663965
Energy: 1.4494304433557066
Energy: 1.4494068469519592
Energy: 1.1455114147476946
Energy: 1.4494873342387204
Energy: 1.449795107609016
Energy: 1.1458227714102982
Energy: 1.5183902379334706
Energy: 1.1457988156740728
Energy: 1.146510061914059
Energy: 1.5187071370493468
Energy: 1.1458062877333437
Energy: 1.542370494483089
Energy: 1.4562254020033383
Energy: 1.4566467862594539
Energy: 1.5396750478810075
Energy: 1.4564086180002571
Energy: 1.4567317948014238
Energy: 1.3816370563046354
Energy: 1.1679961902187586
Energy: 1.1678937936395655
Energy: 1.3813295620727553
Energy: 1.1681223965115237
Energy: 1.4887684223798225
Energy: 1.302922705106039
Energy: 1.168057250633566
Energy: 1.1677910964422906
Energy: 1.3037132726429472
Energy: 1.1676911449541683
Energy: 1.167504076667003
Energy: 1.2151814275970845
Energy: 1.4786154101509068
Energy: 1.4787312568545807
Energy: 1.2152196707564682
Energy: 1.4782328559146278
Energy: 1.4780632469111
Energy: 1.2154675222431301
Energy: 1.4836346243718472
Energy: 1.214982430758903
Energy: 1.2155452444390875
Energy: 1.483911661838277
Energy: 1.2149992759842219
Energy: 1.6083697474269927
Energy: 1.476086477834821
Energy: 1.516951149949642
Energy: 1.5903488703661646
Energy: 1.4766545232313502
Energy: 1.5169333440602972
Energy: 1.6114513967832664
Energy: 1.2940124621533111
Energy: 1.2938877450696655
Energy: 1.6111026192043425
Energy: 1.2940375948406373
Energy: 1.3964339659436162
Energy: 1.3454965892197692
Energy: 1.2948948596225816
Energy: 1.2941364709399938
Energy: 1.4872401296696809
Energy: 1.2947596545600883
Energy: 1.372447587054256
Energy: 1.3906313424067702
Energy: 1.583011459509127
Energy: 1.2937464106382337
Energy: 1.4842369595659888
Energy: 1.525737146683015
Energy: 1.294493374001679
Energy: 1.411416705935995
Energy: 1.2927987102069776
Energy: 1.411495062998931
Energy: 1.4113895892874102
Energy: 1.3315712994097002
Energy: 1.4112882558498907
Energy: 1.7337136030336877
Energy: 1.3861566255521185
Energy: 1.2929768145575522
Energy: 1.698587487027317
Energy: 1.2201456834953623
Energy: 1.4491754668164538
Energy: 1.7300439397169953
Energy: 1.5942735467866533
Energy: 1.594026436109848
Energy: 1.635381673198098
Energy: 1.5943280345292052
Energy: 1.4109177847915164
Energy: 1.399086630743632
Energy: 1.5958089407764302
Energy: 1.5008458365518804
Energy: 1.5289213366134868
Energy: 1.595800061926515
Energy: 1.4460967703611394
Energy: 1.5873904281549085
Energy: 1.5946029230295546
Energy: 1.594299912995743
Energy: 1.5026267266278874
Energy: 1.594733461817064
Energy: 1.5952535631839813
Energy: 1.7436014601258314
Energy: 1.654328853984911
Energy: 1.4263057730183668
Energy: 1.6729062620464565
Energy: 1.505014242863882
Energy: 1.5961541740599714
Energy: 1.8090029501162168
Energy: 1.4595685436026493
Energy: 1.4288655811491713
Energy: 1.674031655928482
Energy: 1.4900295896159221
Energy: 1.5775179160561232
Energy: 1.765680861872478
Energy: 1.5946330879006305
Energy: 1.594780026536402
Energy: 1.7389689216413442
Energy: 1.7403070387900879
Energy: 1.5950864520437795

minimum gb energy = 1.1455114147476946 eV
minimum distance =  2.52552569225918 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.320899066255138
Energy: 0.4568788548908972
Energy: 0.32104864918127046
Energy: 0.3210895578445215
Energy: 0.45754759490026037
Energy: 0.3216294489060919
Energy: 0.45731605010133874
Energy: 0.3234958620287699
Energy: 0.32449272457476025
Energy: 0.45780810432195473
Energy: 0.3236401465793294
Energy: 0.3241816814276188
Energy: 0.4580093000886446
Energy: 0.32137522553863085
Energy: 0.32138084173163756
Energy: 0.45761840720237223
Energy: 0.3213217837146036
Energy: 0.45827074529898554
Energy: 0.32336570401408954
Energy: 0.3212058984668062
Energy: 0.32106388917455164
Energy: 0.32412304890235666
Energy: 0.32147964033598586
Energy: 0.45719506139541466
Energy: 0.4584167675168749
Energy: 0.45799561822277135
Energy: 0.4581122827839725
Energy: 0.4571641728348333
Energy: 0.45769069394285467
Energy: 0.457872696199575
Energy: 0.3231558070766989
Energy: 0.32414575038664123
Energy: 0.3210545523478831
Energy: 0.3210781486590422
Energy: 0.32432025488038624
Energy: 0.3214996617375295
Energy: 0.45787656534589066
Energy: 0.32423191904379695
Energy: 0.3238580870439215
Energy: 0.45800642268345343
Energy: 0.32404465800592025
Energy: 0.3235643768951415
Energy: 0.4579402783577568
Energy: 0.32153452592602655
Energy: 0.321164233508355
Energy: 0.45795607820514966
Energy: 0.32139232509748916
Energy: 0.45818712358195174
Energy: 0.3256651215137033
Energy: 0.3213074470311148
Energy: 0.4572241850320473
Energy: 0.3254029331748614
Energy: 0.32124927800820985
Energy: 0.4572907058892123
Energy: 0.3210934783801519
Energy: 0.4575439578097114
Energy: 41.60917532890652
Energy: 0.32110008135537565
Energy: 0.45758987282580654
Energy: 0.4577343964606261

minimum gb energy = 0.320899066255138 eV
minimum distance =  2.69380069710789 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.8977812936648224
Energy: 1.954498747423544
Energy: 1.8430483851036672
Energy: 1.7171477525173318
Energy: 1.99108270741703
Energy: 1.7246652244120038
Energy: 1.7293957788444834
Energy: 1.7489684017249636
Energy: 1.7490675961995614
Energy: 1.7687250951974944
Energy: 1.7730991596129757
Energy: 1.7491063799391309
Energy: 1.6532619460494207
Energy: 1.7104579158104092
Energy: 1.6182920746671337
Energy: 1.6535860968352802
Energy: 1.6373615219901145
Energy: 1.7488783513219237
Energy: 1.5608016700787566
Energy: 1.7104953406203287
Energy: 1.6647981925580042
Energy: 1.5586564153270912
Energy: 1.3980421089832904
Energy: 1.8004309560915472
Energy: 1.3873792246782213
Energy: 1.7493487441077848
Energy: 1.7490700241094967
Energy: 1.3876672248565474
Energy: 1.773070168633183
Energy: 1.8002958901561679
Energy: 1.6663426604359797
Energy: 1.8010729873615718
Energy: 1.6609925431259294
Energy: 1.4095845839344918
Energy: 1.8023558636869217
Energy: 1.5282352295502846
Energy: 1.5587689775574893
Energy: 1.3842905557063012
Energy: 1.61407550025611
Energy: 1.5588283219097372
Energy: 1.3847351116812134
Energy: 1.589089428226395
Energy: 1.5582046702287777
Energy: 1.6101098616983858
Energy: 1.4868295615292735
Energy: 1.558380453205475
Energy: 1.3355967750603952
Energy: 1.4857534330919755
Energy: 1.7056720447257043
Energy: 1.6098122651636866
Energy: 1.70644993487315
Energy: 1.7094415491702926
Energy: 1.271941424359283
Energy: 1.7065938635936986
Energy: 1.2712483923960134
Energy: 1.384190816521916
Energy: 1.384099753320972
Energy: 1.2713721099935196
Energy: 1.3845075114937588
Energy: 1.3838597049989425
Energy: 1.5685745744171282
Energy: 1.6104379961751971
Energy: 1.6101164545920523
Energy: 1.323349430686132
Energy: 1.6218048968172931
Energy: 1.4370371907567445
Energy: 1.271273519567371
Energy: 1.6409448081351232
Energy: 1.6411527931481635
Energy: 1.2713366660812628
Energy: 1.4989380111493475
Energy: 1.2717688775740186
Energy: 1.271099705994357
Energy: 1.3726987789070138
Energy: 1.2708495617372084
Energy: 1.2709718555631044
Energy: 1.2820492701217052
Energy: 1.2713915568536325
Energy: 1.546487246087278
Energy: 1.2052663129280028
Energy: 1.5545832338607999
Energy: 1.3795566445868575
Energy: 1.2056325204970326
Energy: 1.5552969268468795
Energy: 1.523015765620908
Energy: 1.2049087918062427
Energy: 1.204906506758677
Energy: 1.5229990583334745
Energy: 1.2055721713142744
Energy: 1.2048637684720134
Energy: 1.5222503172018158
Energy: 1.5257737024639773
Energy: 1.5267526110360967
Energy: 1.2508917385585683
Energy: 1.5192129696033654
Energy: 1.5263085383028254
Energy: 1.174022990003053
Energy: 1.5527185385435007
Energy: 1.5539019511907057
Energy: 1.1740751463306593
Energy: 1.3024647120316948
Energy: 1.174384327558551
Energy: 1.1740459033049029
Energy: 1.174128728698338
Energy: 1.1740083860238764
Energy: 1.1743038198945046
Energy: 1.2612578265861416
Energy: 1.1741003977687263
Energy: 1.5020508362198968
Energy: 1.1744390712862534
Energy: 1.5168799320980177
Energy: 1.2612619350175536
Energy: 1.1751935685710404
Energy: 1.5171543892229473
Energy: 1.5013105570551588
Energy: 1.1741305901287384
Energy: 1.174210853521365
Energy: 1.5008658569958582
Energy: 1.174380292581724
Energy: 1.174033539217934
Energy: 1.519536265969622
Energy: 1.525770294928455
Energy: 1.5258962786582386
Energy: 1.5194694736624346
Energy: 1.175758464805238
Energy: 1.5262658153459572
Energy: 1.205542601526407
Energy: 1.371476495891584
Energy: 1.2054681101851807
Energy: 1.2054857439289877
Energy: 1.6163823202586778
Energy: 1.2050184698799915
Energy: 1.2050363539800517
Energy: 1.584947027351833
Energy: 1.5865352485781306
Energy: 1.2052051861451156
Energy: 1.585608857404672
Energy: 1.5865942902748813
Energy: 1.5372193182217246
Energy: 1.2709014571560668
Energy: 1.2712005956383567
Energy: 1.3026752640892139
Energy: 1.2708322031989685
Energy: 1.3952489251812195
Energy: 1.4057515936718805
Energy: 1.2712211347045517
Energy: 1.2710476604359962
Energy: 1.4059307214435846
Energy: 1.2710299101171698
Energy: 1.270999594403237
Energy: 1.6216461192182328
Energy: 1.5717923448444573
Energy: 1.5719042777166867
Energy: 1.6212099498445232
Energy: 1.4385810615738635
Energy: 1.6106341395025106
Energy: 1.3852106873882104
Energy: 1.5717474919499206
Energy: 1.451324386814862
Energy: 1.3840983561971942
Energy: 1.228645572565981
Energy: 1.383818355006062
Energy: 1.31436394757025
Energy: 1.7066521169870994
Energy: 1.7074127310387741
Energy: 1.3143037577224232
Energy: 1.7116638814161276
Energy: 1.7082996940011679
Energy: 1.6216639505673627
Energy: 1.5587465250294943
Energy: 1.5558128620804457
Energy: 1.3452893118376883
Energy: 1.558767485077975
Energy: 1.453417446920839
Energy: 1.3838392624258882
Energy: 1.5592754461715324
Energy: 1.6138337933295166
Energy: 1.383799028643077
Energy: 1.5592498357584927
Energy: 1.5889894619254712
Energy: 1.7932052511825225
Energy: 1.648943032686855
Energy: 1.5589206200316819
Energy: 1.793002786895595
Energy: 1.357128195685425
Energy: 1.558538282059593
Energy: 1.7742657920443523
Energy: 1.6479483505189714
Energy: 1.7631071716994675
Energy: 1.7735536224043902
Energy: 1.531707172129312
Energy: 1.7489345938256948
Energy: 1.462322898640191
Energy: 1.5588151179668865
Energy: 1.5589047669683822
Energy: 1.4626418023585788
Energy: 1.5596125978858566
Energy: 1.6451092981386435

minimum gb energy = 1.1740083860238764 eV
minimum distance =  2.53922161848807 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.9460804629134543
Energy: 2.1192444170676277
Energy: 1.8217842649679985
Energy: 1.5485662547051664
Energy: 1.910890331609045
Energy: 1.9637180751506016
Energy: 1.774926738841226
Energy: 1.906944900983293
Energy: 1.9073078957853005
Energy: 1.9356680225046257
Energy: 1.9278345851324663
Energy: 1.9068873655663219
Energy: 1.9757829479494171
Energy: 1.552586090251059
Energy: 1.9655302154831433
Energy: 1.9768255878854932
Energy: 1.5597700100804275
Energy: 1.8957913333547407
Energy: 1.6371135453284924
Energy: 1.750924239638421
Energy: 1.965325969789452
Energy: 1.6392969892778402
Energy: 1.6845819292533128
Energy: 1.965299625330718
Energy: 1.6382832042313393
Energy: 1.9076736442557607
Energy: 1.9071196071623817
Energy: 1.6390169210811287
Energy: 1.9415263304201626
Energy: 1.9772966738546813
Energy: 1.8196957593884855
Energy: 1.9776659416178561
Energy: 1.778544601648042
Energy: 1.5830901210986918
Energy: 1.9703935425251045
Energy: 1.7786734296298023
Energy: 1.638526597885301
Energy: 1.7106135439062662
Energy: 1.9772910353918058
Energy: 1.6388824078012068
Energy: 1.694472567627067
Energy: 1.6395644912243776
Energy: 1.6387401151612146
Energy: 1.4380261744504257
Energy: 1.5665894919646657
Energy: 1.6389428928065752
Energy: 1.4905698860428338
Energy: 1.640996161074815
Energy: 1.8461069515743234
Energy: 1.8426825179807047
Energy: 1.8440130582066134
Energy: 1.7943675604712759
Energy: 1.4229451285580577
Energy: 1.84667975374076
Energy: 1.3292193632689602
Energy: 1.4251128373119988
Energy: 1.4227113349835157
Energy: 1.5953173636324358
Energy: 1.4241340139657372
Energy: 1.4227881006962975
Energy: 1.8054558032196173
Energy: 1.7427845169089438
Energy: 1.7417990415344569
Energy: 1.4778558837944675
Energy: 1.589262523447687
Energy: 1.7404630460729889
Energy: 1.328590103275401
Energy: 1.6650848884494993
Energy: 1.7725682948965102
Energy: 1.329298921643961
Energy: 1.5808611406840678
Energy: 1.3290874469993936
Energy: 1.3304857416702272
Energy: 1.4664038543271185
Energy: 1.328528333925508
Energy: 1.3289459208636145
Energy: 1.4665246890599684
Energy: 1.3288936131957012
Energy: 1.5726975273492405
Energy: 1.3290544357097536
Energy: 1.7106903987240913
Energy: 1.4666487642340298
Energy: 1.3290692736597745
Energy: 1.7129961288408233
Energy: 1.5446517398437871
Energy: 1.3308035744022697
Energy: 1.329936769714457
Energy: 1.544495965118543
Energy: 1.3310574248166456
Energy: 1.3302386235414247
Energy: 1.584996122269199
Energy: 1.7402436079701242
Energy: 1.7427402629421955
Energy: 1.5906375865909619
Energy: 1.3300780608229592
Energy: 1.7413856766741904
Energy: 1.4249452792916775
Energy: 1.4311367833510347
Energy: 1.5395685024409702
Energy: 1.4250005859204118
Energy: 1.4305620163246757
Energy: 1.424094038173656
Energy: 1.4226597918124808
Energy: 1.8596431718203856
Energy: 1.8630235509784665
Energy: 1.4228687057898717
Energy: 1.5158131284418692
Energy: 1.4227469654762444
Energy: 1.7543425135431447
Energy: 1.8460647973131088
Energy: 1.638142730353174
Energy: 1.5185739881071512
Energy: 1.8417895793970194
Energy: 1.6383013290454724
Energy: 1.6908336643818345
Energy: 1.6378530004744822
Energy: 1.6379974117349423
Energy: 1.6911277506082703
Energy: 1.637128176265498
Energy: 1.705726604535742
Energy: 1.69662177688056
Energy: 1.6472809947444988
Energy: 1.9125650030611212
Energy: 1.7015557847976475
Energy: 1.7048132831908345
Energy: 1.9112964413473708
Energy: 1.9467916473690643
Energy: 1.4454120967570403
Energy: 1.913623228427597
Energy: 1.976644773158936
Energy: 1.461857010132031
Energy: 1.847600076442425
Energy: 1.7748783844371414
Energy: 1.9070478584832078
Energy: 1.9064704102342047
Energy: 1.7751342764740048
Energy: 1.907301428874951
Energy: 1.9066565718120785

minimum gb energy = 1.328528333925508 eV
minimum distance =  2.53803464077326 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.5487027604785006
Energy: 2.1967501307111137
Energy: 2.196588942370301
Energy: 1.6121625149016958
Energy: 2.022198856659923
Energy: 1.9938187760027202
Energy: 1.7918776693063845
Energy: 1.9454197544418528
Energy: 1.944502955119304
Energy: 1.9897318077945696
Energy: 1.9898643024761438
Energy: 1.9453426924100976
Energy: 1.8329060028438242
Energy: 1.7844169663312297
Energy: 2.0265477046353686
Energy: 1.9610688972627661
Energy: 1.7838677483199428
Energy: 1.9391810680336825
Energy: 1.9489268335817311
Energy: 1.7846948169464716
Energy: 2.0251602353463563
Energy: 1.95053921639353
Energy: 1.7755338194445869
Energy: 2.026345253424285
Energy: 1.6314667318603007
Energy: 1.9452735841474282
Energy: 1.9457426835870701
Energy: 1.63197488732018
Energy: 1.9913929270415565
Energy: 2.034511055039243
Energy: 2.002018050610086
Energy: 2.031069350100521
Energy: 2.042398892216979
Energy: 1.5715423059639215
Energy: 2.030520623426772
Energy: 1.8157680287982327
Energy: 1.6299695798948934
Energy: 2.0306053341257426
Energy: 2.0292557322790836
Energy: 1.6300087356036277
Energy: 2.0360013543866473
Energy: 1.6324753043926084
Energy: 1.630080166045656
Energy: 1.5778651888103576
Energy: 1.723285662202105
Energy: 1.629870275221252
Energy: 1.5784184048723875
Energy: 1.6308390447701517
Energy: 1.7434838379406599
Energy: 1.5779407894617796
Energy: 1.8943520274248355
Energy: 1.8354417159041683
Energy: 1.4192478794103323
Energy: 1.8946059373705597
Energy: 1.8786235288450837
Energy: 1.417855112382316
Energy: 1.4177550952212088
Energy: 1.8818626260322546
Energy: 1.4189328620261303
Energy: 1.4178199450978213
Energy: 1.8819740531159743
Energy: 1.4206966820381726
Energy: 1.8199594019763563
Energy: 1.6210403717751154
Energy: 1.4190300583572169
Energy: 1.8220244452545102
Energy: 1.4177914983624496
Energy: 1.5498408507885284
Energy: 1.4191201021399062
Energy: 1.4180636729790408
Energy: 1.6872259749261227
Energy: 1.4187967251413016
Energy: 1.417643912386756
Energy: 1.4189905694483056
Energy: 1.420083563372882
Energy: 1.4180495726475526
Energy: 1.8319851662209108
Energy: 1.4193446899412279
Energy: 1.9037668474153382
Energy: 1.7452683493117813
Energy: 1.8938001157530877
Energy: 1.5509648628535364
Energy: 1.7462663933144917
Energy: 1.6523648270757554
Energy: 1.6624689598966298
Energy: 1.6292427898901156
Energy: 1.6291704167314234
Energy: 1.662714610133285
Energy: 1.6296785719382407
Energy: 1.720685904261419
Energy: 1.7124882253691704
Energy: 1.5993963131011502
Energy: 1.9602076919291762
Energy: 1.7121321794608648
Energy: 1.4646353996429728
Energy: 2.0365016408215015
Energy: 1.8325213753871017
Energy: 1.5992450283989281
Energy: 1.9613802168161296
Energy: 1.962409114136872
Energy: 1.5983660670485471
Energy: 1.8835756876190899
Energy: 1.9897311254123689
Energy: 1.9449340405194837
Energy: 1.9446830888337383
Energy: 1.989844869512112
Energy: 1.9638093140558712
Energy: 1.9194074409842543
Energy: 2.0943210789244513
Energy: 1.9465787721910501
Energy: 2.0853862330087978
Energy: 1.5882703296010003
Energy: 1.9461643924885994
Energy: 1.8818491331670382
Energy: 1.7919385577280713
Energy: 1.9453744176779162
Energy: 1.944919922220281
Energy: 1.7922702144987437
Energy: 1.9909740012021666
Energy: 1.9457169064331352
Energy: 2.035798595794987
Energy: 1.7841505824316248
Energy: 2.0257039098583265
Energy: 2.0372121243348236
Energy: 1.7852744356347945
Energy: 1.9390357742008337
Energy: 1.9460626689679743
Energy: 1.784334803654983
Energy: 2.0268980513777484
Energy: 1.9461409237787648
Energy: 1.7837658658539273
Energy: 2.02758310814584
Energy: 1.6315097663467295
Energy: 1.9453206230949298
Energy: 1.9452556096124594
Energy: 1.6315959843244683
Energy: 1.9902466711977504
Energy: 2.03313661203501
Energy: 2.0018575943119847
Energy: 2.0332293706046936
Energy: 2.0442319215748608
Energy: 1.5725521106880687
Energy: 2.022659628433093
Energy: 1.8175700396607515
Energy: 1.6315843106124037
Energy: 2.0337813382797894
Energy: 2.0307359239341927
Energy: 1.631753698481839
Energy: 2.030764805063549
Energy: 1.8796598629802546
Energy: 1.63253348227848
Energy: 1.577850294825959
Energy: 1.723102687623514
Energy: 1.6305429109443024
Energy: 1.5782245007327627
Energy: 1.6303622186163726
Energy: 1.7433521513132313
Energy: 1.5784460792481905
Energy: 1.8943918833455753
Energy: 1.7443518572884775
Energy: 1.41950597369416
Energy: 1.8925367706553429
Energy: 1.8795314844043396
Energy: 1.4182742886148454
Energy: 1.4179301288305786
Energy: 1.8826824992178004
Energy: 1.4184638366910194
Energy: 1.418031317525039
Energy: 1.8818834044096608
Energy: 1.419368122582572
Energy: 1.8166325559460135
Energy: 1.6219404450651147
Energy: 1.418734223321335
Energy: 1.8160200868187106
Energy: 1.4183388984559235
Energy: 1.5499336138009912
Energy: 1.4189559558413902
Energy: 1.4181974131084527
Energy: 1.6861666081740865
Energy: 1.419074797891857
Energy: 1.4176188124777362
Energy: 1.9126041774146902
Energy: 1.4198483411315175
Energy: 1.418040275843115
Energy: 1.8036118157256436
Energy: 1.4189217858366465
Energy: 1.66278160777299
Energy: 1.8997656262391207
Energy: 1.8954534194082924
Energy: 1.5511874823623562
Energy: 1.7464901843314289
Energy: 1.6522294243822435
Energy: 1.662503057871331
Energy: 1.6290515180823815
Energy: 1.6289676707520968
Energy: 1.6627197925681239
Energy: 1.6314950364947014
Energy: 1.7206545529495618
Energy: 1.7140828090354403
Energy: 1.4649353503275662
Energy: 1.7225686777964515
Energy: 1.7214177392808094
Energy: 1.4650685940504997
Energy: 1.7229983834296243
Energy: 1.8321483372762928
Energy: 1.5990155731962288
Energy: 1.9628812168440852
Energy: 1.8334155391785742
Energy: 1.553130081508789
Energy: 1.8841133698511388
Energy: 1.9896056161024143
Energy: 1.962571225348668
Energy: 1.9445187095479461
Energy: 1.9896706072736332
Energy: 1.9618778145611842
Energy: 1.945009389626387
Energy: 2.096009303609961
Energy: 1.9465875833070216
Energy: 2.08409602191491
Energy: 1.5875744123025435
Energy: 1.9469046918045296
Energy: 1.8811162076837171

minimum gb energy = 1.4176188124777362 eV
minimum distance =  2.52026963973656 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.2843974191341383
Energy: 2.1843845278384966
Energy: 2.1851834781780886
Energy: 1.7680099697485552
Energy: 2.114161327235491
Energy: 1.9454186221825092
Energy: 1.6856442388202584
Energy: 1.8890434088349595
Energy: 1.8899685137874742
Energy: 1.9589434743042402
Energy: 1.9592182191448353
Energy: 1.8069315097635996
Energy: 1.7958519879623414
Energy: 1.8236662128098458
Energy: 1.8813850114811927
Energy: 1.7955936375363737
Energy: 1.8235431048630522
Energy: 1.8818725376032508
Energy: 1.892752603438902
Energy: 1.8232053282753484
Energy: 2.008522921724769
Energy: 1.8930149895872885
Energy: 1.6570285505160716
Energy: 1.8751180179333247
Energy: 1.5547578145724625
Energy: 1.88984844951868
Energy: 1.8889468071940874
Energy: 1.5549179050333382
Energy: 1.9594980368639128
Energy: 1.8916154139757293
Energy: 2.0195413368052453
Energy: 1.9551824493803562
Energy: 1.9580397014942816
Energy: 1.8533227118295124
Energy: 1.9578959168609078
Energy: 1.8529463395767787
Energy: 1.5544744493702431
Energy: 1.8352899986692899
Energy: 1.8371992415461094
Energy: 1.55487013195248
Energy: 1.825464340610491
Energy: 1.5570808590376481
Energy: 1.5563753896264492
Energy: 1.665070577558563
Energy: 1.5571962479328956
Energy: 1.5565948957045788
Energy: 1.856529823087474
Energy: 1.556746160452437
Energy: 1.857755759492559
Energy: 1.5556045389305102
Energy: 1.5568973662877605
Energy: 1.967560821993374
Energy: 1.5575999368912443
Energy: 1.945049778048258
Energy: 1.7276708128937728
Energy: 1.5543778179970427
Energy: 1.5543407113395482
Energy: 1.910841087877609
Energy: 1.5582553754479813
Energy: 1.5545304850431343
Energy: 1.9557443305507418
Energy: 1.5557497111303467
Energy: 1.556008322860956
Energy: 2.031977754725233
Energy: 1.4218923973120272
Energy: 1.837334357171469
Energy: 1.7972630395722593
Energy: 1.74750245319981
Energy: 1.8280140827416338
Energy: 1.7978554004693383
Energy: 1.7472814020681506
Energy: 1.7261054125293103
Energy: 1.798014081531523
Energy: 1.8894018011638567
Energy: 1.8079819076575185
Energy: 1.798330008799454
Energy: 1.9194212672298876
Energy: 1.8071397305417953
Energy: 2.088403169472641
Energy: 1.8913812118247102
Energy: 2.072716448157708
Energy: 1.9345951919823592
Energy: 1.8911134828098723
Energy: 1.9100331794312702

minimum gb energy = 1.4218923973120272 eV
minimum distance =  2.51230271303925 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.7285540324767172
Energy: 1.8203501040233
Energy: 2.400123468073104
Energy: 2.11362065519747
Energy: 1.7597313796378187
Energy: 2.266279006808826
Energy: 2.0804142785045037
Energy: 1.6460717972400158
Energy: 1.6464406868073647
Energy: 2.17749297095859
Energy: 1.6769914714521863
Energy: 1.646097894089868
Energy: 2.150755069464272
Energy: 1.9801005774370914
Energy: 1.9793057558497775
Energy: 2.1523617481484165
Energy: 1.9252145918370163
Energy: 1.9825260119705501
Energy: 1.959039892460742
Energy: 1.8790259602485837
Energy: 1.9826302473400357
Energy: 1.9593842745877756
Energy: 1.562172867093347
Energy: 1.9824001258757842
Energy: 1.9704994866515062
Energy: 1.6459238351575685
Energy: 1.6458090902997513
Energy: 1.9748245290903879
Energy: 1.6748881575747614
Energy: 1.6461481436974554
Energy: 2.120940335513652
Energy: 1.676673629273135
Energy: 1.6770166480069846
Energy: 1.8549648535860053
Energy: 1.675592059981698
Energy: 1.6758739496680906
Energy: 1.6735576806414918
Energy: 1.67667290305743
Energy: 1.6770033989174151
Energy: 1.6739779958844525
Energy: 1.8012020842136798
Energy: 1.652628567292377
Energy: 1.6733477205844796
Energy: 1.693487570011481
Energy: 1.6938821247986577
Energy: 1.6736665991412165
Energy: 1.9749892021467712
Energy: 1.6461770210937088
Energy: 1.6353446728662564
Energy: 1.957175867186446
Energy: 1.779863684054711
Energy: 1.8465746281608768
Energy: 1.9604114642741164
Energy: 1.9628323906318432
Energy: 1.6350432874946121
Energy: 2.16041916481886
Energy: 2.1533327151353143
Energy: 1.8531219399802354
Energy: 2.157136539527788
Energy: 1.9624625033734744
Energy: 1.8547540532045341
Energy: 1.8949983775885042
Energy: 1.870485738320932
Energy: 1.8549268608902432
Energy: 1.807493340721487
Energy: 1.8246068544748066
Energy: 1.825869787946879
Energy: 1.983409886868834
Energy: 1.943800164072481
Energy: 1.8266216045787915
Energy: 1.9735683110861955
Energy: 2.000602090693817
Energy: 1.6461372316486877
Energy: 1.6464371007905858
Energy: 1.6465310598565843
Energy: 1.646088645396501
Energy: 2.1025981591742418
Energy: 1.646502992875899
Energy: 1.9441453657586505
Energy: 2.153788202045641
Energy: 2.1625010642768605
Energy: 1.8604360224751606
Energy: 2.153755930275445
Energy: 1.9820982288010434
Energy: 1.5625464617923788
Energy: 1.562579457866359
Energy: 1.6870811996364994
Energy: 1.5631221160785647
Energy: 1.9878239601367207
Energy: 1.8069851398889316
Energy: 1.5634212681529416
Energy: 1.7919291367576102
Energy: 1.5625690119446018
Energy: 1.5629680829393613
Energy: 1.8219304382687016
Energy: 1.5622732511742388
Energy: 1.5629008271524554
Energy: 1.5642545402810428
Energy: 1.5644938628677498
Energy: 1.5633364375776337
Energy: 1.921826755235105
Energy: 1.5643075113901999
Energy: 2.2148521966454653
Energy: 1.9064024311713927
Energy: 1.8146859548277088
Energy: 1.8752396707813312
Energy: 1.9063729267203782
Energy: 1.7822147302763658
Energy: 1.811927327641025
Energy: 1.813617372108978
Energy: 1.8144664152678145
Energy: 1.8120385838749717
Energy: 1.8973098957638925
Energy: 1.8791917254607224
Energy: 1.8154403614294565
Energy: 1.9588739842940774
Energy: 1.9587072802232945
Energy: 1.8167804720106968
Energy: 1.9594183835547851
Energy: 1.9883314172205249
Energy: 1.9069374768513485
Energy: 1.959000752218208
Energy: 1.9990878118496156
Energy: 1.907600753829826
Energy: 1.7368687402423066
Energy: 1.863178010784119
Energy: 1.6716431794415043
Energy: 1.8129171710563272
Energy: 1.8620554332816615
Energy: 1.6718259572701761
Energy: 1.9076824371941952
Energy: 1.8851469991686474
Energy: 1.6430512380690094
Energy: 1.8163972784102387
Energy: 2.006135615589074
Energy: 1.9246286496380154
Energy: 1.819059739650683
Energy: 1.8862476778135235
Energy: 1.9465352211009659
Energy: 1.813329786387047
Energy: 1.8790105643758503
Energy: 1.9456309039562931
Energy: 1.8119114944227435
Energy: 1.8776841750602427
Energy: 1.908022757854036
Energy: 1.941776757770459
Energy: 1.8664942476387643
Energy: 1.9085113018781328
Energy: 1.8651827994027297
Energy: 1.8129311179224996
Energy: 1.96217523876547
Energy: 1.5648747529337474
Energy: 1.565335916197336
Energy: 1.9550199404906345
Energy: 1.5635758526696675
Energy: 1.564317467143541
Energy: 1.9752752922034964
Energy: 1.5624117363139887
Energy: 1.5623315834659772
Energy: 1.9246028081672901
Energy: 1.5629947678102887
Energy: 1.5624008893254626
Energy: 2.0549934682013866
Energy: 1.5638400761016633
Energy: 1.5636650699060182
Energy: 1.9873564885223152
Energy: 1.5635413685356903
Energy: 1.5632248756598672
Energy: 2.1501069752080384
Energy: 1.9060543356948458
Energy: 1.911385789201625
Energy: 2.1519279801730287
Energy: 1.7749950344851948
Energy: 2.061275411011728
Energy: 2.173655731193309
Energy: 1.6464568763229668
Energy: 1.6462902956740892
Energy: 2.176699636112692
Energy: 1.6462847648444783
Energy: 1.647236409007501
Energy: 2.728962121826998
Energy: 1.8261475141904469
Energy: 2.1092661564530957
Energy: 1.9578936914040272
Energy: 1.8268929715066713
Energy: 2.1531356480068915

minimum gb energy = 1.562172867093347 eV
minimum distance =  2.53173744119667 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.401575206205103
Energy: 2.1145611464248364
Energy: 2.156929174506507
Energy: 2.154638251579667
Energy: 2.571212221096567
Energy: 2.154788521110131
Energy: 1.373603957128778
Energy: 1.5351135802526932
Energy: 1.534868955831974
Energy: 1.8185708380646686
Energy: 1.8190524877261782
Energy: 1.5366314438331765
Energy: 1.7782146739007487
Energy: 1.9529253254237857
Energy: 1.7014664468574296
Energy: 1.777069830225021
Energy: 1.9581070893209707
Energy: 1.7906439824314284
Energy: 1.7405024052233284
Energy: 1.477679602926621
Energy: 1.4778000417215829
Energy: 1.7374546670038276
Energy: 1.6107708596719306
Energy: 1.5349661225842213
Energy: 1.6165878496811825
Energy: 1.7767490694163233
Energy: 1.7478215706158167
Energy: 1.6164463229663182
Energy: 1.7770327712255438
Energy: 1.5349434157154864
Energy: 2.0759630425820963
Energy: 1.7693654370677736
Energy: 1.7715706296652132
Energy: 1.9206267565226633
Energy: 1.7699336555871013
Energy: 1.775125005725879
Energy: 1.769196359843725
Energy: 1.6612586922626524
Energy: 1.4023662550352878
Energy: 1.769673365914851
Energy: 1.7166198638028318
Energy: 1.7793313430534201
Energy: 1.8178609619001413
Energy: 1.535664110903346
Energy: 1.4782466821738054
Energy: 1.8201697838981854
Energy: 1.6169232720123843
Energy: 1.4784421281481985
Energy: 1.374028067707942
Energy: 1.7437169993899944
Energy: 2.0755467158094185
Energy: 2.0766409114384357
Energy: 1.7437948071243536
Energy: 2.0864845096259392
Energy: 1.3736512443998348
Energy: 1.7754554831429186
Energy: 2.0777766258779526
Energy: 1.7381927409139053
Energy: 1.7782371328123125
Energy: 2.0870226580346856
Energy: 1.8188819307748085
Energy: 1.5349495493580867
Energy: 1.4780722902728367
Energy: 1.8204283956305078
Energy: 1.7679759356962141
Energy: 1.478999547875441
Energy: 1.7419557349380579
Energy: 1.7420150622270554
Energy: 1.797391925012593
Energy: 1.742162112461867
Energy: 1.9614245717259475
Energy: 1.743430508284259
Energy: 1.5600076256337991
Energy: 1.5348184619193352
Energy: 1.535453244067399
Energy: 1.5602306939594341
Energy: 1.7700334751166986
Energy: 1.5341196429835577
Energy: 2.0746888979260545
Energy: 1.7730261522020485
Energy: 1.7408814156762173
Energy: 1.9752607457837272
Energy: 1.780295499943894
Energy: 1.7424178272075637
Energy: 1.7694890200294289
Energy: 1.7172599603802994
Energy: 1.5349413179842712
Energy: 1.770517926069526
Energy: 1.717815960856178
Energy: 1.7733058629833212
Energy: 1.7750572177594406
Energy: 1.7182450017617787
Energy: 1.403192710413877
Energy: 1.7761412205829152
Energy: 1.716704250979675
Energy: 1.745284704446571
Energy: 1.3738058772418205
Energy: 1.5352876734202
Energy: 1.5349062863857859
Energy: 1.3739057751114587
Energy: 1.5599869322929223
Energy: 1.535990548258161

minimum gb energy = 1.373603957128778 eV
minimum distance =  2.58563240242782 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.791782065293467
Energy: 2.6139261418385065
Energy: 2.267505093126756
Energy: 2.381127821964712
Energy: 2.1197975731731318
Energy: 2.271424640130874
Energy: 2.046524218179837
Energy: 2.027129669547226
Energy: 2.0264507158490024
Energy: 2.147050214045007
Energy: 2.0814187026502067
Energy: 1.8946135826552766
Energy: 2.0284459847353906
Energy: 1.9927230609641216
Energy: 2.0783017423094137
Energy: 2.028564356519124
Energy: 1.982121680028744
Energy: 2.0213954337884403
Energy: 2.0346888083598262
Energy: 1.9837544277731767
Energy: 1.976216503707615
Energy: 2.0350504980895514
Energy: 1.9183780371161274
Energy: 1.978992540207433
Energy: 1.8588393862022516
Energy: 1.7626817741344654
Energy: 1.7339278122151083
Energy: 1.8654320077200652
Energy: 1.7644161019712454
Energy: 1.7344790105931858
Energy: 1.8369832443415872
Energy: 1.8525770774872667
Energy: 1.8111799725674236
Energy: 1.8385554181514283
Energy: 1.9068825596075711
Energy: 1.8097287723500177
Energy: 2.1657068090609495
Energy: 2.0903044027232465
Energy: 2.0116590837061996
Energy: 2.1660277230870726
Energy: 1.7345717886696292
Energy: 1.9864905213196247
Energy: 1.7633299435870047
Energy: 1.8779898132360826
Energy: 1.8063458617249186
Energy: 1.7631782614447877
Energy: 1.812850230729934
Energy: 1.8040874980573376
Energy: 2.137249847090749
Energy: 1.8393675683589683
Energy: 1.8246145954628596
Energy: 2.255716106030143
Energy: 1.8412790435140844
Energy: 2.1068682573772564
Energy: 2.134909563189172
Energy: 1.9064439384538419
Energy: 1.9021532218516592
Energy: 2.2307316032735423
Energy: 1.9049790251804781
Energy: 1.9075632291030702
Energy: 1.7638065456831467
Energy: 1.734188250547585
Energy: 1.7344655577928751
Energy: 1.7637020649198316
Energy: 1.873367477723671
Energy: 1.7351533767650078
Energy: 1.7619641203032492
Energy: 1.8577059649838508
Energy: 1.7955099615000345
Energy: 1.7623630048340593
Energy: 1.868986053167045
Energy: 1.796274464297219
Energy: 2.223442615432927
Energy: 2.110226931727234
Energy: 1.9691243565898344
Energy: 2.0978009035890945
Energy: 2.115216561046695
Energy: 1.9843105198919384
Energy: 2.0540844800589113
Energy: 1.876045229262847
Energy: 1.8671949346192758
Energy: 2.069790540699684
Energy: 1.8793053576205205
Energy: 1.938657478673236
Energy: 2.064553455956128
Energy: 1.9064595410803233
Energy: 2.1186300726604625
Energy: 2.062883227850987
Energy: 1.9016950281471932
Energy: 2.0628137324477347
Energy: 2.129070583610447
Energy: 2.0507901428181126
Energy: 1.9147749045039688
Energy: 2.1294839290117893
Energy: 2.2524616357391527
Energy: 1.9477646263724155
Energy: 1.8792032019617084
Energy: 1.9043398537612464
Energy: 1.8702784557943537
Energy: 1.9291202732109691
Energy: 1.9128263741941813
Energy: 1.9904192577633784
Energy: 2.05466290699656
Energy: 1.8779664700808443
Energy: 1.8643462038467176
Energy: 1.936328725932203
Energy: 1.8811218162155392
Energy: 1.8667075102986113
Energy: 1.8760776911696064
Energy: 1.9407885356740908
Energy: 1.8688580941903905
Energy: 1.8761100458169788
Energy: 1.8937448723623034
Energy: 1.8688711544273096
Energy: 1.879003012801029
Energy: 1.7922996304833523
Energy: 1.8648708132377854
Energy: 1.879799423770346
Energy: 1.8962061693156214
Energy: 1.868630697488561
Energy: 1.9541259707233072
Energy: 2.0209858829215266
Energy: 2.0272161888262845
Energy: 1.8865257233639912
Energy: 2.023514378158606
Energy: 2.02923540553311

minimum gb energy = 1.7339278122151083 eV
minimum distance =  2.53843774252863 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.712193891186682
Energy: 1.6885056941518541
Energy: 1.6680129680461737
Energy: 1.6672019386680326
Energy: 2.2762496986915135
Energy: 1.6733285875160686
Energy: 1.7438673691134505
Energy: 1.7357173032893276
Energy: 1.6907441758728474
Energy: 1.9273855653271326
Energy: 1.7140698466749271
Energy: 1.6909713651215714
Energy: 1.8127899053346657
Energy: 1.828781097574939
Energy: 1.8302501894271166
Energy: 1.8126149769076485
Energy: 1.6979122460603429
Energy: 1.834013149141334
Energy: 1.7495377486392165
Energy: 1.6907418961194924
Energy: 1.8279108532889832
Energy: 1.7263632611355706
Energy: 1.7279060142507616
Energy: 1.8261118858575254
Energy: 1.7160455221456248
Energy: 1.713052922414798
Energy: 1.6941417539288766
Energy: 1.7169366480741743
Energy: 1.7127372873671811
Energy: 1.6953996695467353
Energy: 1.7241157373316762
Energy: 1.729542936749993
Energy: 1.7123001487465968
Energy: 1.725789741228361
Energy: 1.9179301620115738
Energy: 1.712911966643694
Energy: 1.7154228267153018
Energy: 1.6675196914217998
Energy: 1.6709077402790862
Energy: 1.719987348622656
Energy: 1.6676507582364224
Energy: 1.6675522192221592
Energy: 1.7130011830089513
Energy: 1.7442651593951144
Energy: 1.6912107951410325
Energy: 1.712493714155277
Energy: 1.748259547052009
Energy: 1.691765490466589
Energy: 1.92242017259798
Energy: 1.8128135453257808
Energy: 1.8277108009180087
Energy: 1.8261480606632357
Energy: 1.8123589669125646
Energy: 1.8309857224940476
Energy: 1.9237044720456604
Energy: 1.818325341398591
Energy: 1.832594729382186
Energy: 1.689997255512886
Energy: 1.8180580410480807
Energy: 1.825099130269026
Energy: 1.712322778216352
Energy: 1.689647339610031
Energy: 1.6919309779605725
Energy: 1.7122875218198241
Energy: 1.7175386091553968
Energy: 1.6913902920527346
Energy: 1.9194623366720942
Energy: 1.7105228482503048
Energy: 1.7120388474989985
Energy: 1.9217681630904109
Energy: 1.728550536868719
Energy: 1.713431542104376
Energy: 1.69949275940071
Energy: 1.7141206275678433
Energy: 1.6677349241355945
Energy: 1.7002890486678286
Energy: 1.7143706295335153
Energy: 1.6672272103083707
Energy: 1.6989616704452695
Energy: 1.7130371386370877
Energy: 1.7341341276941609
Energy: 1.69839779438472
Energy: 1.7123087595092512
Energy: 1.6679018945125788
Energy: 1.8126741381933582
Energy: 1.8253121577407494
Energy: 1.826142630327148
Energy: 1.8127254193380213
Energy: 1.6908124310986137
Energy: 1.8290288173942741
Energy: 1.8175762920051708
Energy: 1.824451084495178
Energy: 1.8310817418424128
Energy: 1.8175888101362423
Energy: 1.8246128788150415
Energy: 1.8292985483112572
Energy: 1.7187148200195599
Energy: 1.713178140985177
Energy: 1.691378887794126
Energy: 1.7185037832537102
Energy: 1.712907185101411
Energy: 1.691362210179704
Energy: 1.7231269762421904
Energy: 1.7143192373286675
Energy: 1.6913837364917093
Energy: 1.72803353117647
Energy: 1.7141643501647192
Energy: 1.6908718785756534
Energy: 1.717826445591019
Energy: 1.6691151802520372
Energy: 1.6673438308204118
Energy: 1.7142663740599973
Energy: 1.697814384264258
Energy: 1.6677490187010362
Energy: 1.7161762968485934
Energy: 1.667372793369137
Energy: 1.667406987121673
Energy: 1.712813995778224
Energy: 1.6978380600530156
Energy: 1.6677972342630587
Energy: 1.9193901258645838
Energy: 1.727359766029969
Energy: 1.7118800787547814
Energy: 1.9199685797540234
Energy: 1.7255804222449913
Energy: 1.8295908120496214
Energy: 1.712537158622079
Energy: 1.8172234502810707
Energy: 1.8341572280126817
Energy: 1.706129554912959
Energy: 1.818203186396191
Energy: 1.83448859426123
Energy: 1.7136425182364847
Energy: 1.6908980505598592
Energy: 1.689894443453284
Energy: 1.7143608201110572
Energy: 1.6925095928130804
Energy: 1.6905318104975446
Energy: 1.7135403925805148
Energy: 1.6920818661823793
Energy: 1.6934980657689234
Energy: 1.7130191161612782
Energy: 1.6918508817884845
Energy: 1.6922236610618313
Energy: 1.6989377592448327
Energy: 1.7147090097943014
Energy: 1.7349142977312493
Energy: 1.6983501466589426
Energy: 1.7144865975880832
Energy: 1.667789571492239

minimum gb energy = 1.6672019386680326 eV
minimum distance =  2.50881193315844 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.565138782969255
Energy: 2.6401237795021886
Energy: 2.338861125311406
Energy: 2.192062573318167
Energy: 2.4992027239476604
Energy: 2.3316952393628023
Energy: 1.9657946139512392
Energy: 1.8103883820170714
Energy: 1.7912967017745562
Energy: 1.959224687435942
Energy: 1.8328658154558481
Energy: 1.9051973136534857
Energy: 1.9465310506855766
Energy: 1.9058560032745766
Energy: 1.9067687479627113
Energy: 1.946092239511934
Energy: 1.9045753362842492
Energy: 1.9078334750441857
Energy: 1.939913245050606
Energy: 1.9044892273851943
Energy: 1.9072099367770645
Energy: 1.9396032113245156
Energy: 1.7871647505648556
Energy: 1.9218919993316133
Energy: 1.8189962018813257
Energy: 1.9310674963690246
Energy: 1.9086216070851614
Energy: 1.820505946299788
Energy: 1.9411235841354424
Energy: 1.9085994333997263
Energy: 1.8689197782084266
Energy: 1.8574471610911798
Energy: 1.798329738793341
Energy: 1.8695314714963382
Energy: 1.9586690404029947
Energy: 1.7942943595002119
Energy: 1.843294511414621
Energy: 2.172803775363371
Energy: 2.1729060825040745
Energy: 1.8426495034459487
Energy: 2.119758694962663
Energy: 2.217966891446277
Energy: 2.1230747442558746
Energy: 2.1131506622899963
Energy: 1.9659319339178885
Energy: 2.1216718598668964
Energy: 1.9421656561907028
Energy: 1.9656679648033848
Energy: 1.7844235251311502
Energy: 1.8919102277049709
Energy: 1.802053123022647
Energy: 1.7904378001593992
Energy: 1.8937708075907291
Energy: 1.7994648634914177
Energy: 1.7847853004991692
Energy: 1.8935334324505044
Energy: 1.8026647294235003
Energy: 1.78835503269812
Energy: 1.8960464014713752
Energy: 1.7979660289029844
Energy: 2.0454639601617024
Energy: 1.979836204104356
Energy: 1.9808329883338691
Energy: 2.0471801154506886
Energy: 1.979448969954979
Energy: 1.9791085866405334
Energy: 1.9508845474864678
Energy: 1.7564261362674511
Energy: 1.7644587193375503
Energy: 1.9504608800259609
Energy: 1.8529112111247246
Energy: 1.7699408887703996
Energy: 2.1314242715620297
Energy: 1.8237013072300932
Energy: 2.224214523767215
Energy: 1.902270740345612
Energy: 1.8237304119521753
Energy: 2.1820651045812833
Energy: 1.9030296582487434
Energy: 2.026718863320905
Energy: 2.0268326380926656
Energy: 1.9781632212625804
Energy: 2.0466740333180478
Energy: 1.985551839714383
Energy: 1.8428833749364446
Energy: 1.7570787101770378
Energy: 1.767457389229434
Energy: 1.8429685361373718
Energy: 1.7514245490551053
Energy: 1.7688553271882212
Energy: 1.8438690038355876
Energy: 1.7597599549948326
Energy: 1.7641494684221832
Energy: 1.8442050527180756
Energy: 1.767170934550806
Energy: 1.767732898053493
Energy: 2.1536630538641184
Energy: 2.2576777416969334
Energy: 2.183697901786089
Energy: 1.9783140804604034
Energy: 2.2571707175120768
Energy: 2.1795606642820267
Energy: 1.8532615919316016
Energy: 2.0451299566826213
Energy: 2.0300771281954377
Energy: 1.8536894977974439
Energy: 2.0442495165550536
Energy: 1.983994093142939
Energy: 2.0767776512622254
Energy: 1.9069569353880642
Energy: 2.0830509624867166
Energy: 2.0766526326907577
Energy: 1.9027368777714906
Energy: 1.9745598290174398
Energy: 2.047716182164624
Energy: 1.906854647059262
Energy: 2.082748432334088
Energy: 2.0475085581348966
Energy: 1.9031051649940363
Energy: 2.136678196132255
Energy: 1.738305323923817
Energy: 1.7707234309116533
Energy: 1.7697462711901202
Energy: 1.7469445424659913
Energy: 1.8427887185771636
Energy: 1.765669218017843
Energy: 1.76338769928919
Energy: 1.7659311267180613
Energy: 1.76861062661154
Energy: 1.7645727992649964
Energy: 1.844058802874062
Energy: 1.76770412545362
Energy: 2.2601935033248397
Energy: 2.171631640155863
Energy: 2.1702332144749636
Energy: 2.262002133201068
Energy: 1.8175319645213472
Energy: 2.1701144015228526
Energy: 2.186879025606688
Energy: 2.0549069611676236
Energy: 2.198325424944707
Energy: 2.1095056204512312
Energy: 2.056919865029285
Energy: 2.1100277626089032
Energy: 1.8454997427509197
Energy: 2.042687944683711
Energy: 2.0016347010202202
Energy: 1.91400201381059
Energy: 2.0437397311834093
Energy: 1.99389762756711
Energy: 1.9872220863340124
Energy: 2.046309966365802
Energy: 2.0868397860030923
Energy: 1.9011425685493464
Energy: 2.0462000581795547
Energy: 2.0934814105141024
Energy: 1.8940834609038815
Energy: 1.7945072925837573
Energy: 1.7991643599613087
Energy: 1.893967283882468
Energy: 1.7920537345272711
Energy: 1.8010836771825482
Energy: 1.8932828518653277
Energy: 1.790969983573565
Energy: 1.7971137878850632
Energy: 1.893295970629481
Energy: 1.7874934327980916
Energy: 1.79914310876716
Energy: 2.099063563289671
Energy: 2.1658711294192474
Energy: 2.1643078819296884
Energy: 2.169355076875395
Energy: 2.1817794067297327
Energy: 1.7427375183198164

minimum gb energy = 1.738305323923817 eV
minimum distance =  2.51829094473054 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.3447612156059527
Energy: 2.24662335571877
Energy: 1.9247360057630583
Energy: 2.055081318852917
Energy: 2.055484162319004
Energy: 2.0577539036694397
Energy: 2.010630129508963
Energy: 1.796789789581524
Energy: 1.7243631769236383
Energy: 2.0134378778201105
Energy: 1.795869856686644
Energy: 1.7240014469748242
Energy: 1.9931450633031431
Energy: 1.9278615882748185
Energy: 1.9308681028421109
Energy: 2.00012016116825
Energy: 1.925575896841042
Energy: 1.9286537449480434
Energy: 1.7520237911833618
Energy: 1.9267951423380565
Energy: 1.89074837063543
Energy: 1.7520808854715009
Energy: 1.7226851766600204
Energy: 1.8877514737867396
Energy: 1.7551367138647083
Energy: 1.940707663816271
Energy: 1.9370079583687043
Energy: 1.7615655068472351
Energy: 1.9928443372199087
Energy: 1.7681613763121928
Energy: 1.8135431414195395
Energy: 2.009344370589403
Energy: 1.7443769227074422
Energy: 1.8132958273076283
Energy: 2.0422061157636824
Energy: 1.7261232593340632
Energy: 1.7512528363906583
Energy: 2.096026335214777
Energy: 2.095190087859365
Energy: 1.7510486337124123
Energy: 2.166078240549697
Energy: 2.233701463374643
Energy: 1.7576645434443379
Energy: 2.0367347749295353
Energy: 1.8890223262540657
Energy: 1.757577748677549
Energy: 1.9740082315850478
Energy: 1.724802400347297
Energy: 1.719009545283242
Energy: 1.7446586245908444
Energy: 1.723501511167486
Energy: 1.7174984638184336
Energy: 1.918103873469826
Energy: 1.7244636110819573
Energy: 1.7144911367506206
Energy: 1.7234599130466255
Energy: 1.7252974567009045
Energy: 1.7153089994980188
Energy: 2.0087468626530973
Energy: 1.7273561055415836
Energy: 1.9732952040456244
Energy: 2.0613263390629406
Energy: 2.0635232705106348
Energy: 1.9771676863902226
Energy: 2.0612398563942467
Energy: 2.066267875006421
Energy: 1.857184458639862
Energy: 1.7311663118661194
Energy: 1.9349541038654292
Energy: 1.9979240258931084
Energy: 1.858155837854649
Energy: 1.9348145685487723
Energy: 2.051698479950542
Energy: 2.198611507472815
Energy: 2.196690985886523
Energy: 1.917607074113469
Energy: 2.1988691853790674
Energy: 2.273534044997106
Energy: 2.0939337075307303
Energy: 1.801598558011292
Energy: 1.8233591026695253
Energy: 1.9174157329276884
Energy: 1.8002085084706316
Energy: 1.8244363096517993
Energy: 1.9210899982939151
Energy: 1.723976009404553
Energy: 1.7366050024837414
Energy: 1.9254425884435002
Energy: 1.7272477054552615
Energy: 1.7377962145876145
Energy: 1.920257406183646
Energy: 1.7233624545010535
Energy: 1.7264850608883417
Energy: 1.8681504771008974
Energy: 1.758028113019623
Energy: 1.725510120160168
Energy: 2.3413107136888245
Energy: 2.162095967665458
Energy: 2.3629115559588785
Energy: 2.054042669448151
Energy: 2.1680391702446937
Energy: 2.0511376846597007
Energy: 1.9639355611810554
Energy: 2.1166225930533935
Energy: 2.160191135821702
Energy: 1.964972310180946
Energy: 2.049197657672565
Energy: 1.978297970868004
Energy: 2.013215508970469
Energy: 1.9263811797194492
Energy: 1.9272758172269184
Energy: 2.0119236983505377
Energy: 1.9270841146212614
Energy: 1.927581487126135
Energy: 1.990552708520945
Energy: 1.926000460760452
Energy: 1.9277993105800506
Energy: 1.9904781605233834
Energy: 1.926149118309588
Energy: 1.9326236279368023
Energy: 1.7574184590580069
Energy: 1.9395419086585493
Energy: 1.9285240414793268
Energy: 1.7616459886543665
Energy: 1.9857507198762852
Energy: 1.7666346368596668
Energy: 1.8156464048642926
Energy: 1.8679180546979195
Energy: 1.7251327990048984
Energy: 1.8125200491196205
Energy: 2.0582791619273655
Energy: 1.7263102374528132
Energy: 2.03657374783364
Energy: 2.1676746306240133
Energy: 2.23409846836631
Energy: 2.0358991307309866
Energy: 2.1188366407600334
Energy: 2.1671742551731037
Energy: 1.9869114703185673
Energy: 2.1660252554515935
Energy: 1.9432021417393446
Energy: 1.9871518335202185
Energy: 2.1655468155928936
Energy: 1.9993548673585486
Energy: 1.7152101315459667
Energy: 1.7458534386364253
Energy: 1.7241057827332529
Energy: 1.7162059362292101
Energy: 1.9191479470754327
Energy: 1.7260955008463945
Energy: 1.7195842664834078
Energy: 1.74570155778316
Energy: 1.7237693627493458
Energy: 1.7206982434681262
Energy: 1.9196754386772668
Energy: 1.7264298982479247
Energy: 2.0352377957313177
Energy: 2.0610154235829246
Energy: 2.0615310591799196
Energy: 2.036355585531502
Energy: 2.0618175228839495
Energy: 2.0575798363512847
Energy: 2.013125189955548
Energy: 2.0619776565201473
Energy: 2.0610644500606625
Energy: 2.0129151345407035
Energy: 2.0606191042505153
Energy: 2.0605636584867137
Energy: 2.0768038404002267
Energy: 1.9695594925811837
Energy: 1.9689604953444508
Energy: 1.9171461892869384
Energy: 1.9697231195522964
Energy: 1.862746037548355
Energy: 2.048286899479258
Energy: 2.1890145274356385
Energy: 2.1780291560897735
Energy: 1.9169859767082302
Energy: 2.2010241522926757
Energy: 2.2508360299987094
Energy: 1.9182738098702024
Energy: 1.7243341132119474
Energy: 1.7379524047360562
Energy: 1.9184256779404527
Energy: 1.722942178161368
Energy: 1.7373413049359754
Energy: 1.9180736052325367
Energy: 1.7230297429791526
Energy: 1.73615175703476
Energy: 1.918728971537704
Energy: 1.7242923538829278
Energy: 1.7365688187927766
Energy: 2.341129259795357
Energy: 2.162973960295338
Energy: 1.7352763304721517
Energy: 2.0543523605949376
Energy: 2.319884954948707
Energy: 2.362685799060575

minimum gb energy = 1.7144911367506206 eV
minimum distance =  2.49501736311601 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01928054641850429
Energy: 0.02011071540269735
Energy: 0.019967124161525532
Energy: 0.019427802591140342
Energy: 0.7377802157955079
Energy: 0.01970596889444224
Energy: 0.020652796868558077
Energy: 0.2359470321019168
Energy: 0.23504492909187036
Energy: 0.2355341635082415
Energy: 0.23616184860974843
Energy: 0.23526752624332525
Energy: 1.7793686860676123
Energy: 0.7295931683111173
Energy: 0.7368464474929778
Energy: 0.7350374449542182
Energy: 0.7293936726760214
Energy: 0.7379914221756474
Energy: 1.2775119538676258
Energy: 0.23594703210338278
Energy: 0.23504492909224728
Energy: 0.23553416350786455
Energy: 0.23616184860941336
Energy: 0.23526752624148234

minimum gb energy = 0.01928054641850429 eV
minimum distance =  2.73867292917097 Angstroms
sigma value = 1