Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.8105355844189335
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017405064231530886
Energy: 0.017634663784103517
Energy: 9.130583160900004
Energy: 0.017634663784103517
Energy: 0.017634663784103517
Energy: 0.01828679335740417
Energy: 1.426315054656497
Energy: 0.01828679335740417
Energy: 9.11199846615534
Energy: 1.426315054656497
Energy: 1.4262770370578286
Energy: 1.426315054656497
Energy: 0.017634663784103517
Energy: 0.01828679335740417
Energy: 1.426315054656497
Energy: 0.01828679335740417

minimum gb energy = 0.017405064231530886 eV
minimum distance =  2.7193600900612 Angstroms
sigma value = 1


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

Energy: 2.097128819480996
Energy: 1.836516025006336
Energy: 11.279623243179381
Energy: 1.8365160250073398
Energy: 2.2123808614224667
Energy: 1.688632615403844
Energy: 1.589039993991039
Energy: 1.688632615403844
Energy: 2.4659932545658596
Energy: 1.5210956125547808
Energy: 1.4704426316023507
Energy: 1.521095612555785
Energy: 1.9809908570259809
Energy: 1.7353038713801432
Energy: 1.520870557125146
Energy: 1.7353038713801432
Energy: 1.9986757164986084
Energy: 1.7375499161902324
Energy: 2.04447827537821
Energy: 1.7375499161892283
Energy: 2.1691575396402496
Energy: 1.6771082036684288
Energy: 1.4552549598718245
Energy: 1.677108203669433
Energy: 1.704607712632829
Energy: 1.7273591884024881
Energy: 1.4551454888039599
Energy: 1.727359188401484
Energy: 1.4581973495289497
Energy: 1.6171140032315183
Energy: 2.0034121431629033
Energy: 1.6171140032325222
Energy: 1.7039334312322423
Energy: 1.725674642896199
Energy: 1.9347375109250535
Energy: 1.725674642896199
Energy: 2.2894749650412654
Energy: 1.7632386940215836
Energy: 1.7257714079281032
Energy: 1.7632386940225877
Energy: 1.4754192116976546
Energy: 1.735002174551287
Energy: 1.840539008449604
Energy: 1.735002174551287
Energy: 1.4756216912762061
Energy: 1.4753807570098485
Energy: 2.7570670203720193
Energy: 1.4753807570098485
Energy: 1.8232146920429286
Energy: 1.7404259704467107
Energy: 1.998448983547615
Energy: 1.740425970444703
Energy: 7.649211569633353
Energy: 1.7344204632666547
Energy: 2.0089007384973208
Energy: 1.7344204632636424
Energy: 1.510762418604304
Energy: 1.679658527259037
Energy: 2.163512246387072
Energy: 1.679658527259037
Energy: 1.5106688102456
Energy: 1.6799203667606861
Energy: 2.171345675451206
Energy: 1.6799203667616902
Energy: 8.090873314206192
Energy: 1.7339584237598535
Energy: 2.0115307268332154
Energy: 1.7339584237618615
Energy: 1.8245057579316173
Energy: 1.736562934729387
Energy: 2.004213025818286
Energy: 1.7365629347323994
Energy: 1.4813743095025014
Energy: 1.4753127619206101
Energy: 2.883294005766781
Energy: 1.4753127619206101
Energy: 1.4755643523104853
Energy: 1.7362245408089978
Energy: 1.7252009239797677
Energy: 1.7362245408089978
Energy: 2.3197737552200453
Energy: 1.7222776471935017
Energy: 1.712791967194097
Energy: 1.7222776471924977
Energy: 1.7130857933702737
Energy: 1.6846623037386206
Energy: 1.9347727350281068
Energy: 1.6846623037386206
Energy: 1.5937008497140532
Energy: 1.6151624823512956
Energy: 1.7577589536946425
Energy: 1.6151624823502917
Energy: 1.9566312288475174
Energy: 1.7216551456798672
Energy: 1.4547934674316643
Energy: 1.7216551456808713
Energy: 2.1693534003061665
Energy: 1.6767613378155535
Energy: 1.4551091436536099
Energy: 1.6767613378155535
Energy: 1.9983004398521207
Energy: 1.7339519166231705
Energy: 7.7843864318979215
Energy: 1.7339519166241746
Energy: 1.984075763410322
Energy: 1.734162608095113
Energy: 1.5211928416048002
Energy: 1.734162608095113
Energy: 2.4669942043994944
Energy: 1.5209954711228453
Energy: 1.4713508232407038
Energy: 1.5209954711238496
Energy: 2.210097008305627
Energy: 1.6877650219309552
Energy: 1.5893697193460283
Energy: 1.6877650219279432
Energy: 2.0767140971542126
Energy: 1.7722259765196744
Energy: 13.476465380304491
Energy: 1.7722259765206787
Energy: 2.182649698965382
Energy: 1.688225551716143
Energy: 1.5889977445236723
Energy: 1.688225551716143
Energy: 2.1690496301129225
Energy: 1.63439504736035
Energy: 1.4721003313621328
Energy: 1.634395047361354
Energy: 1.9985355481942646
Energy: 1.7373657872328412
Energy: 1.521228315804381
Energy: 1.7373657872348496

minimum gb energy = 1.4547934674316643 eV
minimum distance =  2.47517075242069 Angstroms
sigma value = 1


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

Energy: 2.2041230451527607
Energy: 1.8507581237792963
Energy: 9.304593434299527
Energy: 1.8507581237792963
Energy: 2.042630570587693
Energy: 1.7936359162152542
Energy: 1.8340958430509304
Energy: 1.7936359162141093
Energy: 2.0642856075256923
Energy: 1.5356463683200048
Energy: 1.535248528346789
Energy: 1.5356463683211494
Energy: 1.4945880885939822
Energy: 1.7968263979341252
Energy: 1.6727037579105906
Energy: 1.7968263979341252
Energy: 1.494731786142105
Energy: 1.796160354340795
Energy: 2.3226469132522785
Energy: 1.796160354340795
Energy: 2.0641289097412012
Energy: 1.512029858797312
Energy: 1.5113511937712898
Energy: 1.512029858797312
Energy: 1.5124959563676428
Energy: 1.792663057630378
Energy: 1.5112790945983872
Energy: 1.792663057630378
Energy: 1.511444467974797
Energy: 1.5116661283899817
Energy: 2.2310281023250425
Energy: 1.5116661283922712
Energy: 1.5120430706816883
Energy: 1.6637965778344384
Energy: 2.0674357287446843
Energy: 1.6637965778355832
Energy: 14.439921615243763
Energy: 1.4949832036159605
Energy: 1.4946802975158286
Energy: 1.4949832036159605
Energy: 1.535436880230469
Energy: 1.790688940999041
Energy: 2.067526731039085
Energy: 1.7906889410001858
Energy: 1.6272389192975758
Energy: 1.670991443265743
Energy: 2.6572032576169997
Energy: 1.670991443265743
Energy: 14.084858863016775
Energy: 1.796685567477702
Energy: 2.136804436107263
Energy: 1.796685567477702
Energy: 14.095848880226619
Energy: 1.7967020070014257
Energy: 2.1377544041670418
Energy: 1.7967020070014257
Energy: 1.6269152220064533
Energy: 1.6709791595395098
Energy: 2.6562793402298484
Energy: 1.6709791595395098
Energy: 1.5353994625197502
Energy: 1.7906399919001803
Energy: 2.0675370607177554
Energy: 1.7906399919001803
Energy: 14.303515771840877
Energy: 1.4949689568769684
Energy: 1.4946842523527606
Energy: 1.4949689568769684
Energy: 1.5122644517705548
Energy: 1.6637025271798667
Energy: 2.067667457281412
Energy: 1.6637025271810115
Energy: 1.511435519671446
Energy: 1.5115906007910733
Energy: 2.23102810231016
Energy: 1.5115906007899287
Energy: 1.512317401397674
Energy: 1.7926142552313298
Energy: 1.5114066159592476
Energy: 1.7926142552313298
Energy: 2.0636509607699565
Energy: 1.5122302233732932
Energy: 1.511588931984584
Energy: 1.5122302233744378
Energy: 1.494695524797228
Energy: 1.7909179688920636
Energy: 2.322646913278608
Energy: 1.7909179688920636
Energy: 1.494610996098796
Energy: 1.7965528270431157
Energy: 1.67270375791288
Energy: 1.7965528270431157
Energy: 2.064173201912906
Energy: 1.5356318016734554
Energy: 1.535326185187384
Energy: 1.5356318016734554
Energy: 2.0426948384835035
Energy: 1.793897976360627
Energy: 1.8340958430497856
Energy: 1.7938979763594822
Energy: 2.2041230451527607
Energy: 1.8507581237792963
Energy: 9.306329307734773
Energy: 1.8507581237804411
Energy: 2.042630570587693
Energy: 1.7936359162152542
Energy: 1.8340958430509304
Energy: 1.7936359162141093
Energy: 2.0642856075256923
Energy: 1.5356463683200048
Energy: 1.535248528346789
Energy: 1.5356463683200048
Energy: 1.4945880885939822
Energy: 1.7968263979329804
Energy: 1.6727037579117354
Energy: 1.7968263979341252

minimum gb energy = 1.4945880885939822 eV
minimum distance =  2.48269410138917 Angstroms
sigma value = 25


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

Energy: 2.0366905843350267
Energy: 2.0367240095644514
Energy: 6.92228776989104
Energy: 2.0367240095644514
Energy: 2.2686784769294657
Energy: 1.7698242773552737
Energy: 1.7985514151148465
Energy: 1.7698242773552737
Energy: 2.265970465932159
Energy: 1.633453697167155
Energy: 1.606743568715603
Energy: 1.633453697167155
Energy: 1.9725103976499982
Energy: 1.802407767510762
Energy: 1.7990512366016538
Energy: 1.802407767510762
Energy: 1.9528929037337994
Energy: 1.8024910591788428
Energy: 1.9986855266640706
Energy: 1.8024910591788428
Energy: 2.2484476237431115
Energy: 1.5790961941428798
Energy: 1.5788869928669942
Energy: 1.5790961941442105
Energy: 1.617049300483684
Energy: 1.9213688383935426
Energy: 1.5789879174832004
Energy: 1.9213688383935426
Energy: 1.5759847481090596
Energy: 1.6169497502119976
Energy: 2.634812707412913
Energy: 1.6169497502119976
Energy: 1.7207473422546509
Energy: 1.8652921672432765
Energy: 1.9646011300595865
Energy: 1.8652921672432765
Energy: 9.49396731045062
Energy: 1.9128923607559711
Energy: 1.9839737241722735
Energy: 1.9128923607094246
Energy: 1.6863833874336986
Energy: 1.865220178095335
Energy: 2.2266740144001025
Energy: 1.8652201780966657
Energy: 1.698776572075358
Energy: 1.6175985460512368
Energy: 2.2225953657610518
Energy: 1.6175985460512368
Energy: 9.237314598412166
Energy: 1.8269252440882167
Energy: 1.966853744688647
Energy: 1.8269252440882167
Energy: 1.7218702532832157
Energy: 1.8654466539503158
Energy: 1.9554988488765326
Energy: 1.8654466539503158
Energy: 1.584794711869866
Energy: 1.6174373756404135
Energy: 2.600967395096806
Energy: 1.6174373756404135
Energy: 1.616679531946088
Energy: 1.80316128613258
Energy: 1.5794330629203528
Energy: 1.8031612861312494
Energy: 2.670531788520587
Energy: 1.5790578650616607
Energy: 1.578841935523786
Energy: 1.5790578650616607
Energy: 1.9286656616301348
Energy: 1.8027349187750448
Energy: 1.9977861004076682
Energy: 1.8027349187750448
Energy: 1.9699629269762888
Energy: 1.802426398983837
Energy: 1.7991066452636482
Energy: 1.802426398985168
Energy: 1.9297660242559551
Energy: 1.579364865194766
Energy: 1.6086492078861556
Energy: 1.579364865194766
Energy: 2.278111606029564
Energy: 1.7701859520695038
Energy: 1.6340761385041602
Energy: 1.7701859520695038
Energy: 2.0272713821233532
Energy: 1.9518781587292071
Energy: 8.365080030211786
Energy: 1.9518781587278764
Energy: 2.265566982565083
Energy: 1.8958359845131727
Energy: 1.7993813516921657
Energy: 1.8958359845131727
Energy: 2.409061294291249
Energy: 1.6334802548576026
Energy: 1.633453023101121
Energy: 1.6334802548576026
Energy: 1.9538925862720722
Energy: 1.8025306177685028
Energy: 1.6341161944621314
Energy: 1.8025306177685028

minimum gb energy = 1.5759847481090596 eV
minimum distance =  2.43198444326738 Angstroms
sigma value = 9


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

Energy: 1.6159793484214418
Energy: 1.6167476291711478
Energy: 10.718893591231009
Energy: 1.6167476291711478
Energy: 1.615508465057148
Energy: 1.8345495270678789
Energy: 1.620907351000982
Energy: 1.8345495270678789
Energy: 1.802681634261794
Energy: 1.6794667192442891
Energy: 1.8029573597216546
Energy: 1.6794667192442891
Energy: 1.6199996429467418
Energy: 1.6199904832083951
Energy: 1.6220706577559736
Energy: 1.6199904832083951
Energy: 1.6204011117670727
Energy: 1.6212474708074538
Energy: 1.801302215103575
Energy: 1.6212474708074538
Energy: 2.813040568030895
Energy: 1.6201148241337662
Energy: 1.6196224172274036
Energy: 1.6201148241337662
Energy: 1.8027181507631969
Energy: 1.6213481048282081
Energy: 1.6203485054100095
Energy: 1.6213481048282081
Energy: 1.8025791529346766
Energy: 1.8014397379070672
Energy: 2.3999780865842073
Energy: 1.8014397379086544
Energy: 17.430010051968623
Energy: 1.8347558848722139
Energy: 1.6155724281076318
Energy: 1.8347558848722139
Energy: 17.42689839332093
Energy: 1.615652891668772
Energy: 1.615624073766831
Energy: 1.615652891668772
Energy: 1.802680969282022
Energy: 1.8343159404316802
Energy: 2.39955008881187
Energy: 1.8343159404316802
Energy: 1.6789558820215424
Energy: 1.8540969035614796
Energy: 1.6208238110264017
Energy: 1.8540969035630674
Energy: 2.813050958134671
Energy: 1.6203368491695367
Energy: 1.6197567671129196
Energy: 1.6203368491711245
Energy: 1.620065124402263
Energy: 1.7264283297588277
Energy: 1.6206031059564552
Energy: 1.7264283297588277
Energy: 1.6197771847519757
Energy: 1.6202385567520075
Energy: 2.813050958134671
Energy: 1.6202385567520075
Energy: 1.620160567777671
Energy: 1.8543892962843103
Energy: 1.6790173011181146
Energy: 1.8543892962858974
Energy: 2.3995988407858952
Energy: 1.8343799748359295
Energy: 1.802709184437041
Energy: 1.8343799748359295
Energy: 1.6156566952376477
Energy: 1.6157194207106924
Energy: 17.47487439502801
Energy: 1.6157194207106924
Energy: 1.6155357271531359
Energy: 1.8352521448699244
Energy: 17.449382603224432
Energy: 1.8352521448715118
Energy: 2.4000288519631083
Energy: 1.8014745078593593
Energy: 1.8028559174820353
Energy: 1.8014745078593593
Energy: 1.6204269429575322
Energy: 1.6212945114418742
Energy: 1.8025999283278602
Energy: 1.6212945114418742

minimum gb energy = 1.615508465057148 eV
minimum distance =  2.48400291228148 Angstroms
sigma value = 25


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

Energy: 1.7800480116893405
Energy: 2.2833895868259266
Energy: 8.341095835088142
Energy: 2.2833895868259266
Energy: 2.2725381722195492
Energy: 1.8142983077614263
Energy: 1.8077713733597027
Energy: 1.8142983077614263
Energy: 2.0816531249890398
Energy: 1.7459435044836773
Energy: 1.7490733304137682
Energy: 1.7459435044836773
Energy: 1.678430056989714
Energy: 1.761618879789853
Energy: 1.7454780834929913
Energy: 1.7616188797879342
Energy: 1.9181765492808498
Energy: 1.8748810117922883
Energy: 2.3556508494891917
Energy: 1.8748810117922883
Energy: 12.344815259287273
Energy: 1.7092764500859414
Energy: 1.714024837886256
Energy: 1.7092764500859414
Energy: 1.9425120781927576
Energy: 1.7619094712892904
Energy: 1.7096648414741138
Energy: 1.7619094713461803
Energy: 1.9273288113123246
Energy: 1.846708570513847
Energy: 2.3566472542904813
Energy: 1.846708570513847
Energy: 1.9424790939561116
Energy: 1.7102034107464072
Energy: 1.7090191020743948
Energy: 1.7102034107464072
Energy: 2.066984418479224
Energy: 1.7110791085115822
Energy: 1.7102339795019237
Energy: 1.7110791085115822
Energy: 1.7349137254760596
Energy: 1.76148475711093
Energy: 2.3073703738553815
Energy: 1.76148475711093
Energy: 1.7597618487673181
Energy: 1.709972606510818
Energy: 1.7455046330403998
Energy: 1.709972606510818
Energy: 2.157436067529854
Energy: 1.7459997896700787
Energy: 1.7488412148529489
Energy: 1.7459997896700787
Energy: 2.264879874489837
Energy: 1.906785383522442
Energy: 12.426497095945711
Energy: 1.906785383522442
Energy: 2.3741085714119916
Energy: 2.053178159806054
Energy: 12.399987682754203
Energy: 2.053178159806054
Energy: 2.286352297390396
Energy: 1.697037541621222
Energy: 1.745293709163367
Energy: 1.6970375416290304
Energy: 1.7602204056450343
Energy: 1.70972224605627
Energy: 1.7490814294345463
Energy: 1.709722246058233

minimum gb energy = 1.678430056989714 eV
minimum distance =  2.46079035938296 Angstroms
sigma value = 17


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

Energy: 2.109719215137199
Energy: 2.0861145812634203
Energy: 11.833544392615515
Energy: 2.0861145812623083
Energy: 2.152638693714418
Energy: 1.807671842687344
Energy: 1.8594071339798122
Energy: 1.807671842687344
Energy: 2.007163077665511
Energy: 1.7365675002661507
Energy: 1.6962794290066006
Energy: 1.7365675002683747
Energy: 1.7189336214064876
Energy: 1.7186599097042674
Energy: 1.8596853795767385
Energy: 1.7186599097064914
Energy: 1.7524716177859982
Energy: 1.768492896582832
Energy: 2.091291183757447
Energy: 1.7684928965839437
Energy: 9.189765864037579
Energy: 1.8861347704870706
Energy: 1.7655927929855395
Energy: 1.8861347704948541
Energy: 2.064857918174219
Energy: 1.719419596597198
Energy: 2.050020967640657
Energy: 1.7194195966016455
Energy: 1.7705996026040591
Energy: 1.6993046791438278
Energy: 2.182927784436362
Energy: 1.6993046791427162
Energy: 1.7701420256801332
Energy: 1.748269351296778
Energy: 1.6971158107243842
Energy: 1.74826935129789
Energy: 2.1830596146259995
Energy: 1.6761818085364468
Energy: 1.854344268059583
Energy: 1.6761818085353348
Energy: 1.7446844801479562
Energy: 1.7409192387010446
Energy: 8.069035009241466
Energy: 1.7409192386977088
Energy: 1.7397111184890943
Energy: 1.7468318639274496
Energy: 1.9591453753275587
Energy: 1.7468318639285616
Energy: 2.256714873980164
Energy: 1.7638156613999447
Energy: 1.801257861672303
Energy: 1.7638156613999447
Energy: 1.7540953338983862
Energy: 1.7452121593574248
Energy: 1.9001561166273575
Energy: 1.7452121593585368
Energy: 1.738159892207649
Energy: 1.8563650797249662
Energy: 2.3057969343005795
Energy: 1.85636507972719
Energy: 2.1882535152597167
Energy: 1.7494667930893741
Energy: 1.6939879665246966
Energy: 1.7494667930893741
Energy: 1.7884649551349348
Energy: 1.8439868066192875
Energy: 1.7492060224333343
Energy: 1.8439868066192875
Energy: 1.7725152141266534
Energy: 1.788503736370986
Energy: 2.269478383050438
Energy: 1.7885037363698741
Energy: 8.154331826831461
Energy: 1.674515607129135
Energy: 1.9164894011018347
Energy: 1.6745156071302467
Energy: 2.403889583658642
Energy: 1.8425847740590349
Energy: 2.0585027498515722
Energy: 1.8425847740590349
Energy: 1.6994214932851632
Energy: 1.7879858877727424
Energy: 2.1397674993778115
Energy: 1.7879858877716306
Energy: 1.698642445045674
Energy: 1.8050195289569286
Energy: 1.7358871465599515
Energy: 1.8050195289569286
Energy: 2.1159175788691518
Energy: 1.7360916548383587
Energy: 1.7358897876650805
Energy: 1.7360916548383587
Energy: 2.106199128190636
Energy: 1.7183805633605787
Energy: 8.373064104240418
Energy: 1.7183805633539075
Energy: 2.119786264567982
Energy: 1.7166658054783
Energy: 8.337551576768021
Energy: 1.7166658054249289
Energy: 2.114184650551144
Energy: 1.7359967590744032
Energy: 1.7362106758307425
Energy: 1.7359967590732912
Energy: 1.6974728116147841
Energy: 1.7504379108620933
Energy: 1.7360658292376352
Energy: 1.750437910875436
Energy: 1.6990781729282363
Energy: 1.6986631069795022
Energy: 2.155433425612189
Energy: 1.6986631069795022
Energy: 2.155945015371774
Energy: 1.8590442183220677
Energy: 2.064131019651273
Energy: 1.8590442183220677
Energy: 8.096162249223797
Energy: 1.6745794099637863
Energy: 1.7642361670689757
Energy: 1.674579409964898

minimum gb energy = 1.674515607129135 eV
minimum distance =  2.47317087536088 Angstroms
sigma value = 53


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

Energy: 1.5097390666822603
Energy: 1.5395721331571874
Energy: 14.57125649442061
Energy: 1.5395721331597472
Energy: 1.865500120749958
Energy: 1.58729340918169
Energy: 1.865347133344886
Energy: 1.58729340918169
Energy: 2.5374460482412653
Energy: 1.8901381332235476
Energy: 2.149064212738099
Energy: 1.8901381332235476
Energy: 2.1489894879605376
Energy: 1.8901936397349832
Energy: 2.537573505770182
Energy: 1.8901936397349832
Energy: 1.8653644450899904
Energy: 1.5875000492134992
Energy: 1.8655935616551222
Energy: 1.5875000492134992
Energy: 4.423124251201762
Energy: 1.5395721331597472
Energy: 1.5097390666822603
Energy: 1.5395721331597472
Energy: 1.865347133344886
Energy: 1.58729340918169
Energy: 1.865500120752518
Energy: 1.58729340918169
Energy: 2.149064212738099
Energy: 1.8901381332235476
Energy: 2.5374460482412653
Energy: 1.8901381332235476
Energy: 2.537573505770182
Energy: 1.8901936397349832
Energy: 2.1489894879605376
Energy: 1.8901936397349832
Energy: 1.8655935616551222
Energy: 1.5875000492134992
Energy: 1.8653644450899904
Energy: 1.5875000492134992
Energy: 1.5097390666822603
Energy: 1.5395721331597472
Energy: 14.82969991084296
Energy: 1.5395721331597472
Energy: 1.865500120752518
Energy: 1.58729340918169
Energy: 1.865347133344886
Energy: 1.58729340918169
Energy: 2.5374460482412653
Energy: 1.8901381332235476
Energy: 2.149064212738099
Energy: 1.8901381332235476

minimum gb energy = 1.5097390666822603 eV
minimum distance =  2.45793623404449 Angstroms
sigma value = 9


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

Energy: 1.9950949098867345
Energy: 2.0080951901651436
Energy: 10.470141695012144
Energy: 2.008095190166091
Energy: 2.294894273153544
Energy: 2.012616055546471
Energy: 2.221017027798282
Energy: 2.0126160555474186
Energy: 1.8781703420119602
Energy: 1.769942265329079
Energy: 1.7687133191231355
Energy: 1.7699422653309738
Energy: 1.8517868737381253
Energy: 1.7984113097527952
Energy: 1.9862011135843853
Energy: 1.7984113097527952
Energy: 2.007413921498053
Energy: 1.7635133667541862
Energy: 2.2484296593434916
Energy: 1.7635133667522913
Energy: 8.129361678248419
Energy: 1.8982487402874402
Energy: 1.929789948402443
Energy: 1.8982487402874402
Energy: 1.9252755269388628
Energy: 1.8401364276267356
Energy: 2.3770844837877187
Energy: 1.8401364276267356
Energy: 1.7626067962503404
Energy: 1.8294052523286006
Energy: 1.9452988375790055
Energy: 1.829405252329548
Energy: 2.048759935067362
Energy: 1.7694469483333002
Energy: 1.8789926564592971
Energy: 1.7694469483333002
Energy: 1.9126048000522176
Energy: 1.7723353759946574
Energy: 2.0500137089995962
Energy: 1.7723353759946574
Energy: 1.8005702435636322
Energy: 1.8856960140522876
Energy: 7.687359753549104
Energy: 1.8856960140522876
Energy: 2.4279769752123457
Energy: 1.7804788547870198
Energy: 1.8788558923099568
Energy: 1.7804788547690191
Energy: 1.9213731164606511
Energy: 1.837174824631131
Energy: 1.7897834717901013
Energy: 1.8371748246301836
Energy: 1.9627879507244745
Energy: 1.8583102961022766
Energy: 1.926279405744825
Energy: 1.8583102961003817
Energy: 2.0108818020880577
Energy: 1.8343478493867864
Energy: 1.7833533021409425
Energy: 1.8343478493801544
Energy: 2.3239339775369126
Energy: 1.8210223933408467
Energy: 1.7960630022388329
Energy: 1.8210223933408467
Energy: 1.9162783274862676
Energy: 1.8880813665329144
Energy: 2.4804003134399863
Energy: 1.8880813665329144
Energy: 1.8062749333802417
Energy: 1.8778032413477204
Energy: 7.357358202965995
Energy: 1.8778032413477204
Energy: 2.3070404938186173
Energy: 1.8191926329938495
Energy: 1.9495544172382757
Energy: 1.8191926329957446
Energy: 1.7955344800715973
Energy: 1.8259505761581716
Energy: 1.884343788494618
Energy: 1.8259505761505923
Energy: 1.8420712128541823
Energy: 1.8324167905960647
Energy: 2.2540063638347836
Energy: 1.832416790585643
Energy: 2.384736366997609
Energy: 1.7639773098680909
Energy: 1.9355971578693836
Energy: 1.7639773098680909
Energy: 7.412738074711666
Energy: 1.892654096541183
Energy: 1.9216720489335881
Energy: 1.8926540965392882
Energy: 1.8891307787495621
Energy: 1.8540106775042346
Energy: 2.3996744987186767
Energy: 1.8540106775023395
Energy: 1.8657380548452236
Energy: 1.832202850956588
Energy: 1.7702867450526063
Energy: 1.8322028509802304
Energy: 2.305231413090087
Energy: 1.9290591138098931
Energy: 1.8585637490030693
Energy: 1.9290591138108408
Energy: 2.090056193629511
Energy: 1.7784399261967847
Energy: 7.866898842749537
Energy: 1.7784399261816262
Energy: 1.9540982299192808
Energy: 1.7813044034843246
Energy: 7.599945540243827
Energy: 1.7813044034833772
Energy: 2.271829432014466
Energy: 1.928560068615066
Energy: 1.8536131140107195
Energy: 1.9285600686141187
Energy: 1.8518516532911642
Energy: 1.8643119925082474
Energy: 1.7696176899475442
Energy: 1.8643119925091949
Energy: 1.8865316980216587
Energy: 1.876177688370217
Energy: 2.268323929103972
Energy: 1.8761776883692693
Energy: 7.352334752854854
Energy: 1.7684295976915896
Energy: 1.9246729210301403
Energy: 1.7684295976915896
Energy: 2.4803667543883607
Energy: 1.7633108288931592
Energy: 1.929141415195358
Energy: 1.7633108288884218
Energy: 1.8423210245438861
Energy: 1.8989566647310148
Energy: 2.5231284934015608
Energy: 1.8989566647329095
Energy: 1.8151339213822928
Energy: 1.8282410587632079
Energy: 1.8760820114959313
Energy: 1.8282410587613132

minimum gb energy = 1.7626067962503404 eV
minimum distance =  2.42439096386954 Angstroms
sigma value = 73


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

Energy: 2.1076296264289986
Energy: 1.9760376804042104
Energy: 7.084633848614194
Energy: 1.9760376804042104
Energy: 2.1963087442535136
Energy: 1.9074806487420946
Energy: 2.1983452902137053
Energy: 1.9074806487420946
Energy: 1.9773148679566876
Energy: 1.8832258357533258
Energy: 1.8082689002847823
Energy: 1.883225835754829
Energy: 1.8587187531121157
Energy: 1.8222122032461718
Energy: 2.1284497623968157
Energy: 1.8222122032461718
Energy: 2.200065498789472
Energy: 1.8180654990084344
Energy: 2.0089774615173113
Energy: 1.8180654990099374
Energy: 10.293863211364442
Energy: 1.9429473548888792
Energy: 1.8431439552369273
Energy: 1.9429473548888792
Energy: 1.9488302159787865
Energy: 1.8716368397797765
Energy: 2.232380612441678
Energy: 1.8716368397797765
Energy: 1.8253250658118552
Energy: 1.8228944083798926
Energy: 1.987560710878598
Energy: 1.8228944165023209
Energy: 2.296853206613504
Energy: 1.884039447417036
Energy: 2.1205075250074144
Energy: 1.88403944741403
Energy: 1.8191306369533302
Energy: 1.912008778638912
Energy: 2.088263419093631
Energy: 1.912008778638912
Energy: 1.817687442960227
Energy: 1.8258083015801576
Energy: 2.758457023325437
Energy: 1.8258083015801576
Energy: 2.3684019769827485
Energy: 1.9499829327377651
Energy: 2.009215843492636
Energy: 1.9499829327377651
Energy: 9.876452349541065
Energy: 1.943194406257571
Energy: 1.8431471822848327
Energy: 1.9431944062590745
Energy: 1.988178761058401
Energy: 1.879958387246339
Energy: 2.4966572408626897
Energy: 1.879958387246339
Energy: 1.8574439357944659
Energy: 1.8238101895110883
Energy: 1.8308640444042816
Energy: 1.8238101895095853
Energy: 2.2979226426324324
Energy: 1.9650678770127215
Energy: 1.893087998403202
Energy: 1.9650678770142247
Energy: 2.0233001742179653
Energy: 1.9736484005715318
Energy: 10.261303497925708
Energy: 1.9736484005715318
Energy: 2.0221320901943702
Energy: 1.955514906931206
Energy: 10.356323924442826
Energy: 1.955514906931206
Energy: 2.374458263138617
Energy: 1.9630805206281086
Energy: 1.9727675149399848
Energy: 1.9630805206281086
Energy: 1.856397683512211
Energy: 1.928785839539029
Energy: 1.8084577175160585
Energy: 1.928785839539029
Energy: 1.977537249869706
Energy: 1.9187883942836397
Energy: 2.5580599093638994
Energy: 1.9187883942821709
Energy: 9.895921414127455
Energy: 1.9309637641811468
Energy: 1.8389159412842602
Energy: 1.93096376418265

minimum gb energy = 1.8082689002847823 eV
minimum distance =  2.43095121901487 Angstroms
sigma value = 7


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

Energy: 2.233685179968908
Energy: 2.0120813644087385
Energy: 8.499437012055443
Energy: 2.0120813644087385
Energy: 2.25679613450509
Energy: 1.9766224223412097
Energy: 1.9513427664814909
Energy: 1.9766224223422726
Energy: 1.9472035944759274
Energy: 1.8925563044463052
Energy: 1.8943532488368233
Energy: 1.8925563044452423
Energy: 1.9511129323268028
Energy: 1.8479060467368658
Energy: 1.9558186337193513
Energy: 1.8479060467358028
Energy: 2.0867884929427154
Energy: 1.8907174179655764
Energy: 1.8432079739744827
Energy: 1.8907174179666388
Energy: 12.910610581164311
Energy: 1.8474449538827917
Energy: 1.8533933834154377
Energy: 1.8474449538827917
Energy: 1.910711058972625
Energy: 1.94986413840732
Energy: 2.3095849533486628
Energy: 1.94986413840732
Energy: 1.8529214603716937
Energy: 1.847249238266204
Energy: 13.211433268242363
Energy: 1.847249238266204
Energy: 2.318367967681363
Energy: 1.9992078434378933
Energy: 1.9499603671097636
Energy: 1.9992078434389562
Energy: 1.8871562535088675
Energy: 1.8467158672195143
Energy: 1.9508096629878058
Energy: 1.8467158672195143
Energy: 1.8935390543963795
Energy: 1.9802032402980376
Energy: 2.1044724830526764
Energy: 1.980203240296975
Energy: 13.589228472260341
Energy: 1.9825892611539224
Energy: 2.091557838402523
Energy: 1.9825892611528593
Energy: 13.624832550435768
Energy: 1.9689939739226623
Energy: 2.09915704972641
Energy: 1.9689939739226623
Energy: 1.888569946469517
Energy: 1.9794359086392876
Energy: 2.4368220250420025
Energy: 1.9794359086403508
Energy: 1.8929542162008648
Energy: 1.9658474776956105
Energy: 1.9459463760406301
Energy: 1.9658474776966737
Energy: 2.3955710049133803
Energy: 2.1313939144402556
Energy: 1.9456725296045343
Energy: 2.1313939144402556
Energy: 1.845751777546063
Energy: 1.8430408436097927
Energy: 2.085599153446613
Energy: 1.8430408436097927
Energy: 1.8411088811122576
Energy: 2.0211571991317197
Energy: 2.305521688424352
Energy: 2.021157199130657
Energy: 2.6828370590241915
Energy: 1.845128423581852
Energy: 1.8447400530644493
Energy: 1.845128423581852
Energy: 2.0897287165049487
Energy: 1.892524588455714
Energy: 1.8416350234687293
Energy: 1.8925245884567772
Energy: 1.9463376292740877
Energy: 2.004019883870808
Energy: 1.9480720816486297
Energy: 2.0040198838697454
Energy: 1.946544166288794
Energy: 1.8937993896237026
Energy: 1.9044429365364937
Energy: 1.8937993896247656
Energy: 2.255951926752541
Energy: 1.9126863320633594
Energy: 1.9458542313907303
Energy: 1.9126863321047638
Energy: 2.0927020157437486
Energy: 2.0181568245736363
Energy: 13.352789529141285
Energy: 2.0181568245736363
Energy: 2.0981173503118233
Energy: 1.9782491606826784
Energy: 1.9469262337458384
Energy: 1.9782491606837413
Energy: 2.1108478901968835
Energy: 1.896555763437395
Energy: 1.8868107045238816
Energy: 1.8965557634512125
Energy: 1.946071208376306
Energy: 1.8461731277762128
Energy: 1.887487857978835
Energy: 1.8461731277794013
Energy: 2.091457301748496
Energy: 1.88907342951949
Energy: 2.3153653986966387
Energy: 1.889073429520553
Energy: 13.207228897069403
Energy: 1.8460389725548083
Energy: 1.847082888899067
Energy: 1.8460389725548083
Energy: 2.307431959371213
Energy: 1.9978105795483247
Energy: 2.306896131172863
Energy: 1.9978105795472618
Energy: 1.846967314364291
Energy: 1.8456411132093378
Energy: 13.198546106192097
Energy: 1.8456411132093378

minimum gb energy = 1.8411088811122576 eV
minimum distance =  2.43200816801742 Angstroms
sigma value = 29


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

Energy: 1.793595114534057
Energy: 2.0938849397435324
Energy: 11.21008774137105
Energy: 2.0938849397439023
Energy: 2.1842442054360345
Energy: 1.8401266841281578
Energy: 1.855230248582396
Energy: 1.8401266841281578
Energy: 2.346439159404007
Energy: 1.8144448376797013
Energy: 1.813978259986846
Energy: 1.8144448376793312
Energy: 2.40621804138004
Energy: 1.8541429952466868
Energy: 1.8113420421144533
Energy: 1.8541429952463166
Energy: 2.5618494583041875
Energy: 1.8139054204209741
Energy: 1.8101417340520587
Energy: 1.813905420420604
Energy: 2.296863716810113
Energy: 1.8112598514399822
Energy: 1.8102655278583804
Energy: 1.8112598514407223
Energy: 1.9789676733433645
Energy: 1.8101533693354175
Energy: 2.531306256566732
Energy: 1.8101533693354175
Energy: 1.7931124739837785
Energy: 1.8144950983255803
Energy: 18.954005087443527
Energy: 1.8144950983255803
Energy: 2.339574941672491
Energy: 2.013551735725579
Energy: 2.003332861755699
Energy: 2.0135517357298984

minimum gb energy = 1.7931124739837785 eV
minimum distance =  2.47409376668164 Angstroms
sigma value = 5


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

Energy: 2.135540408144439
Energy: 1.9934782865716536
Energy: 10.337395605760884
Energy: 1.9934782865736618
Energy: 2.2892591139930833
Energy: 1.9544937792787827
Energy: 2.0092643042280134
Energy: 1.9544937792777783
Energy: 2.0605351467948743
Energy: 1.9817115974015573
Energy: 1.9708907065596117
Energy: 1.9817115974015573
Energy: 2.054085810960291
Energy: 2.1214848907325354
Energy: 2.0992070727696572
Energy: 2.1214848907325354
Energy: 1.9684109466540078
Energy: 1.9709921281395093
Energy: 1.9395169526168754
Energy: 1.9709921281395093
Energy: 2.1947140299767733
Energy: 1.979114566762092
Energy: 1.9461565478981449
Energy: 1.9791145667630958
Energy: 2.0424284947419067
Energy: 1.9739455994950919
Energy: 2.1866406255989927
Energy: 1.9739455994950919
Energy: 2.0463379025273074
Energy: 1.9719978861038243
Energy: 2.350845515854508
Energy: 1.9719978861038243
Energy: 2.4410800041100265
Energy: 1.9766326722261405
Energy: 2.054124642768017
Energy: 1.9766326722271446
Energy: 7.655893883696123
Energy: 1.9732258580276503
Energy: 2.058208195800277
Energy: 1.9732258580246385
Energy: 1.9468795197085509
Energy: 1.94895993869177
Energy: 2.261748608125348
Energy: 1.9489599386947818
Energy: 1.948197278513189
Energy: 1.948993584225471
Energy: 2.005735659446135
Energy: 1.9489935842244672
Energy: 2.153039268174532
Energy: 2.2365089398871723
Energy: 2.0046980967245354
Energy: 2.236508939885164
Energy: 1.9456409397852645
Energy: 1.9571913027659866
Energy: 1.9946139680711874
Energy: 1.9571913027669905
Energy: 1.9703455086956894
Energy: 2.2147012847957486
Energy: 2.185323907904973
Energy: 2.2147012847957486
Energy: 8.093235256057092
Energy: 1.9713641125162396
Energy: 2.13891799301455
Energy: 1.9713641125152355
Energy: 2.287270101687966
Energy: 1.9366492096096413
Energy: 2.225715261976706
Energy: 1.9366492096106456
Energy: 1.9851682857955297
Energy: 1.970000116455708
Energy: 7.796439410877782
Energy: 1.970000116456712
Energy: 2.08008558134224
Energy: 1.962543762304306
Energy: 2.046888437947692
Energy: 1.962543762304306
Energy: 1.9717310440533744
Energy: 1.9500145952366952
Energy: 1.9616838736789894
Energy: 1.9500145952356913
Energy: 1.969492393023601
Energy: 1.9968351143057321
Energy: 2.1403816687171586
Energy: 1.9968351143057321
Energy: 2.136701911202613
Energy: 1.9703930648641002
Energy: 1.9413045703952914
Energy: 1.9703930648641002
Energy: 2.05581564324394
Energy: 1.9764274197943223
Energy: 1.942967565547707
Energy: 1.9764274197933183
Energy: 2.211106671618932
Energy: 1.9906806401321482
Energy: 7.932300282374683
Energy: 1.9906806401321482
Energy: 2.235990888823342
Energy: 1.981838760944923
Energy: 7.9459476663317155
Energy: 1.9818387609439188
Energy: 2.1592671283829032
Energy: 2.000309627959526
Energy: 1.941789113902755
Energy: 2.000309627959526
Energy: 2.044533329330161
Energy: 1.9763012155032333
Energy: 1.9428831737162253
Energy: 1.9763012155022295
Energy: 2.0116089716005905
Energy: 2.1105552775780154
Energy: 2.2128049995755634
Energy: 2.1105552775810272
Energy: 1.977096845641941
Energy: 1.9754173838871183
Energy: 1.955220163138368
Energy: 1.9754173838871183
Energy: 2.15102474942974
Energy: 2.2662297870295363
Energy: 2.033347911688731
Energy: 2.2662297870295363
Energy: 2.042340465672184
Energy: 1.9718419385583006
Energy: 7.350459599549855
Energy: 1.9718419385593047
Energy: 2.0986892111714424
Energy: 1.9439903653053034
Energy: 2.248721033904613
Energy: 1.9439903653073116
Energy: 7.861558081500456
Energy: 1.9713785957606962
Energy: 2.055069539739283
Energy: 1.9713785957606962

minimum gb energy = 1.9366492096096413 eV
minimum distance =  2.45212512253546 Angstroms
sigma value = 1


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

Energy: 1.9319794535157453
Energy: 1.846664002874234
Energy: 9.217889484479052
Energy: 1.846664002874234
Energy: 1.9788560242407611
Energy: 1.9579377833320633
Energy: 1.9524192453361116
Energy: 1.9579377833334517
Energy: 2.2123207323462095
Energy: 1.875596922974138
Energy: 1.9778560753989034
Energy: 1.875596922974138
Energy: 1.9527177769611583
Energy: 1.8774703390463352
Energy: 1.99888329381426
Energy: 1.8774703390449472
Energy: 1.9395806797762938
Energy: 1.885576911684488
Energy: 1.9258467178747665
Energy: 1.885576911684488
Energy: 1.9338685921550065
Energy: 2.1148817129924287
Energy: 1.925835734579614
Energy: 2.1148817129924287
Energy: 1.926913684557865
Energy: 1.8753006560702195
Energy: 2.2208574398082535
Energy: 1.8753006560702195
Energy: 1.9269980031989187
Energy: 1.9045900587186577
Energy: 2.215014723138778
Energy: 1.9045900587186577
Energy: 15.665166634359432
Energy: 1.8816006067147721
Energy: 1.894321942093525
Energy: 1.8816006067133835
Energy: 15.787984343646382
Energy: 1.8817207038504014
Energy: 1.8943388939496706
Energy: 1.8817207038504014
Energy: 1.92688246056186
Energy: 1.904770640724063
Energy: 2.215014723138778
Energy: 1.904770640724063
Energy: 1.92683025825686
Energy: 1.8753210282673647
Energy: 2.2208574398096417
Energy: 1.8753210282673647
Energy: 1.9339504844561504
Energy: 2.115032554103824
Energy: 1.9259135471295323
Energy: 2.115032554103824
Energy: 1.9395612878636572
Energy: 1.8459937165531897
Energy: 1.9260279366361397
Energy: 1.8459937165531897
Energy: 1.9528922808961422
Energy: 1.8775012058735077
Energy: 1.9988403023451056
Energy: 1.8775012058735077
Energy: 2.212320732347598
Energy: 1.8756042168301854
Energy: 1.9775735733256927
Energy: 1.8756042168301854
Energy: 1.9786903391338362
Energy: 1.9573585332231593
Energy: 1.9524477538486207
Energy: 1.957358533224548
Energy: 1.9319794535157453
Energy: 1.846664002874234
Energy: 9.201815541090143
Energy: 1.846664002874234
Energy: 1.9788560242407611
Energy: 1.9579377833320633
Energy: 1.9524192453361116
Energy: 1.9579377833320633
Energy: 2.2123207323462095
Energy: 1.875596922974138
Energy: 1.9778560753989034
Energy: 1.875596922974138
Energy: 1.95271777695977
Energy: 1.8774703390449472
Energy: 1.99888329381426
Energy: 1.8774703390449472
Energy: 1.9395806797762938
Energy: 1.885576911684488
Energy: 1.925846717876155
Energy: 1.885576911684488
Energy: 1.933868592156363
Energy: 2.1148817129924287
Energy: 1.925835734579614
Energy: 2.1148817129924287
Energy: 1.926913684557865
Energy: 1.8753006560702195
Energy: 2.2208574398082535
Energy: 1.8753006560702195

minimum gb energy = 1.8459937165531897 eV
minimum distance =  2.4663906283931 Angstroms
sigma value = 17


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

Energy: 2.18385013116626
Energy: 1.9431350685595512
Energy: 9.232783228524008
Energy: 1.943135068558693
Energy: 2.2164557851047917
Energy: 2.1376020038444947
Energy: 2.0927927297008444
Energy: 2.137602003845353
Energy: 6.979655730875575
Energy: 1.879244498934616
Energy: 1.9345216594300336
Energy: 1.8792444989328998
Energy: 1.9408322256725112
Energy: 2.180184865172127
Energy: 2.070341782775075
Energy: 2.180184865169553
Energy: 1.9427548150591547
Energy: 1.8652351819704407
Energy: 1.920544016923029
Energy: 1.8652351819712987
Energy: 2.081298075319075
Energy: 2.0078018402786793
Energy: 1.9241310134253364
Energy: 2.0078018402786793
Energy: 1.9042519632517987
Energy: 1.8721884645589726
Energy: 1.953918908613881
Energy: 1.8721884645615468
Energy: 1.9057479107639845
Energy: 1.8708735320079763
Energy: 2.08721976349049
Energy: 1.8708735320071184
Energy: 7.086642619869354
Energy: 1.8790572002024883
Energy: 2.136811561915516
Energy: 1.8790572001999142
Energy: 7.139073941026687
Energy: 1.8851898500555537
Energy: 2.135337525781748
Energy: 1.8851898500555537
Energy: 1.998151134195999
Energy: 1.8791624947647128
Energy: 2.088216932252783
Energy: 1.879162494767287
Energy: 1.997310560061703
Energy: 1.8797610316199962
Energy: 2.020150815572111
Energy: 1.8797610316208546
Energy: 2.1244195185520205
Energy: 1.8900459389966235
Energy: 1.9115897386765333
Energy: 1.8900459389991977
Energy: 1.9413919155190054
Energy: 1.8654175053338524
Energy: 1.9123601465017261
Energy: 1.8654175053338524
Energy: 1.9371507292372738
Energy: 1.903056381150311
Energy: 2.0122432335101346
Energy: 1.9030563811485948
Energy: 1.9400396656769654
Energy: 1.8712691513386845
Energy: 1.9095683461253508
Energy: 1.8712691513369684
Energy: 2.109084108812878
Energy: 1.8974165922768076
Energy: 2.02902678568769
Energy: 1.897416592279382
Energy: 2.006153756138951
Energy: 1.8878344985822881
Energy: 7.080465457378552
Energy: 1.887834498584004
Energy: 2.0313436697580984
Energy: 1.9645936050491015
Energy: 2.1330942458304896
Energy: 1.9645936050499593
Energy: 10.941045113813205
Energy: 1.9209177122168921
Energy: 2.026935679995883
Energy: 1.9209177122160337
Energy: 2.0801714377742377
Energy: 2.18910094002835
Energy: 2.192278266200372
Energy: 2.18910094002835
Energy: 1.9294760009319674
Energy: 1.86524150810561
Energy: 1.970592625378466
Energy: 1.8652415081047522
Energy: 2.05397758917644
Energy: 2.114701025388524
Energy: 1.9817702079897326
Energy: 2.1147010253893823
Energy: 1.899091184688881
Energy: 1.8730503677778967
Energy: 1.9140906368814612
Energy: 1.8730503677778967
Energy: 1.9072462167227344
Energy: 1.9693171979204682
Energy: 2.1466786851315636
Energy: 1.969317197917894
Energy: 1.9966473963905966
Energy: 1.8708946950749359
Energy: 1.91272762556923
Energy: 1.870894695074078
Energy: 2.0646845739321664
Energy: 1.865699596245617
Energy: 1.9921311345097337
Energy: 1.8656995962464755
Energy: 2.1536242059020205
Energy: 1.886211975108888
Energy: 10.59215385053497
Energy: 1.8862119751097461
Energy: 2.1498744879126943
Energy: 1.8928676174272674
Energy: 7.04415594849521
Energy: 1.8928676174264092
Energy: 2.1515280464986444
Energy: 1.8708112531781207
Energy: 1.9127843449219035
Energy: 1.8708112531781207
Energy: 2.0474906505931205
Energy: 1.8664656894628417
Energy: 1.9918104706473154
Energy: 1.866465689465416
Energy: 1.8988637819604206
Energy: 1.9002650349769747
Energy: 2.0041432873704568
Energy: 1.9002650349752586
Energy: 1.906243801898977
Energy: 1.872866017716049
Energy: 1.9099404442690582
Energy: 1.872866017716049
Energy: 2.0367949993624657
Energy: 1.880476422664245
Energy: 1.9672778215594833
Energy: 1.8804764226651032
Energy: 1.9177147567455002
Energy: 1.8675814676878022
Energy: 1.9848897925121076
Energy: 1.867581467685228
Energy: 2.0948599622574737
Energy: 1.8880300581804326
Energy: 2.1080412909206867
Energy: 1.8880300581787164
Energy: 7.0515738505214545
Energy: 1.8776676900976916
Energy: 2.0338263226064
Energy: 1.8776676900976916
Energy: 2.1006864985195888
Energy: 1.9659200160151682
Energy: 2.1167074823334215
Energy: 1.9659200160160264

minimum gb energy = 1.8652351819704407 eV
minimum distance =  2.46422406494383 Angstroms
sigma value = 89


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

Energy: 2.020144186321005
Energy: 1.7571473682558056
Energy: 7.8674280592857055
Energy: 1.7571473682558056
Energy: 1.9055067357939213
Energy: 2.0024853387868458
Energy: 1.9369055808819986
Energy: 2.0024853387868458
Energy: 13.143718262208132
Energy: 1.7345081193369132
Energy: 1.791543275777534
Energy: 1.7345081193369132
Energy: 1.8357625921302785
Energy: 1.7652575887220543
Energy: 2.01452265493445
Energy: 1.7652575887220543
Energy: 1.8316462858773126
Energy: 1.765374232755985
Energy: 1.8816180607673003
Energy: 1.765374232755985
Energy: 1.931427467708148
Energy: 2.141789449900034
Energy: 1.8807803679608934
Energy: 2.141789449904524
Energy: 1.8017396467885856
Energy: 1.735550468138511
Energy: 1.88257410439925
Energy: 1.735550468138511
Energy: 1.8017402432038339
Energy: 1.7903936323324265
Energy: 2.240535126423634
Energy: 1.7903936323324265
Energy: 2.1087831839703037
Energy: 1.76602000820878
Energy: 1.7683609961948268
Energy: 1.76602000820878
Energy: 2.0475938581259854
Energy: 1.7665153229524362
Energy: 1.7687483869774956
Energy: 1.7665153229524362
Energy: 1.9710488113369424
Energy: 1.7352969995289451
Energy: 13.15910552309456
Energy: 1.7352969995289451
Energy: 1.9663523846970634
Energy: 1.735273814824721
Energy: 13.26144767782376
Energy: 1.735273814824721
Energy: 13.41575220319218
Energy: 1.7659928545951296
Energy: 1.7684608535246433
Energy: 1.7659928545951296
Energy: 2.111255072552452
Energy: 1.7656030789884711
Energy: 1.7691719174664946
Energy: 1.7656030789884711
Energy: 1.802846196839287
Energy: 1.7655497604590913
Energy: 2.2320331572158323
Energy: 1.7655497604590913

minimum gb energy = 1.7345081193369132 eV
minimum distance =  2.47052913342632 Angstroms
sigma value = 13


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

Energy: 1.8418151577552024
Energy: 1.6943145897896834
Energy: 7.15201083947773
Energy: 1.6943145897906244
Energy: 1.8582692233622717
Energy: 1.6803516746024472
Energy: 1.866825578416494
Energy: 1.6803516746024472
Energy: 11.890962903882397
Energy: 1.6194460203168755
Energy: 1.7905598421167939
Energy: 1.6194460203178163
Energy: 1.8480809754385306
Energy: 1.7862176509338008
Energy: 1.8666846822629404
Energy: 1.7862176509347416
Energy: 1.764706405438582
Energy: 1.635089914043146
Energy: 1.8363258284709578
Energy: 1.635089914044087
Energy: 1.8667486880473914
Energy: 1.6363420542935674
Energy: 1.8043884857442694
Energy: 1.6363420542935674
Energy: 1.7801477766286984
Energy: 1.6214358953614376
Energy: 1.7908010841557354
Energy: 1.6214358953614376
Energy: 1.7651142682097418
Energy: 1.8496953679497472
Energy: 1.904749685184393
Energy: 1.8496953679506882
Energy: 1.8245460043854946
Energy: 1.6365879556180343
Energy: 1.7560084757005088
Energy: 1.6365879556180343
Energy: 1.9850472632048015
Energy: 1.638147835489068
Energy: 1.7874774010998653
Energy: 1.638147835489068
Energy: 1.7624669863501081
Energy: 1.6220827548341683
Energy: 11.745221670957006
Energy: 1.6220827548341683
Energy: 1.764890447675441
Energy: 1.6216310530826186
Energy: 2.038639112621143
Energy: 1.6216310530826186
Energy: 12.1013610451425
Energy: 1.6795185535135584
Energy: 1.8147457137441214
Energy: 1.6795185535135584
Energy: 1.8757333689162594
Energy: 1.6799611877985214
Energy: 1.9591912884064049
Energy: 1.6799611877985214
Energy: 1.7625093919859667
Energy: 1.6220268439597132
Energy: 12.128681159065557
Energy: 1.6220268439597132
Energy: 1.7652047100025068
Energy: 1.6211959886779237
Energy: 1.9485934324821226
Energy: 1.6211959886788647
Energy: 1.862631125853789
Energy: 1.6381922635486688
Energy: 1.756191341339369
Energy: 1.6381922635486688
Energy: 1.8381829076742053
Energy: 1.635783784696018
Energy: 1.7854329437805418
Energy: 1.635783784696018
Energy: 1.7663687730427364
Energy: 1.6223262963052376
Energy: 1.7653913738036768
Energy: 1.6223262963052376
Energy: 1.7657642203297894
Energy: 1.622902375575445
Energy: 1.7664374818269015
Energy: 1.6229023755763858
Energy: 1.7858197279588188
Energy: 1.6359256297464673
Energy: 1.837975978011843
Energy: 1.635925629745526
Energy: 1.7561856658978223
Energy: 1.6381862157915494
Energy: 1.8626311258556711
Energy: 1.6381862157924902
Energy: 1.9485934324821226
Energy: 1.6215310731738444
Energy: 1.7647958162801298
Energy: 1.6215310731738444
Energy: 12.008159022902419
Energy: 1.621998201492709
Energy: 1.7625567105744826
Energy: 1.621998201492709
Energy: 1.9598438319974538
Energy: 1.679962650480103
Energy: 1.8757613730804332
Energy: 1.679962650480103
Energy: 1.8145215673413377
Energy: 1.6792964101728087
Energy: 11.857841192344708
Energy: 1.6792964101728087
Energy: 2.0386829191249003
Energy: 1.621606646665208
Energy: 1.764877790142864
Energy: 1.6216066466642671
Energy: 11.900696408756597
Energy: 1.621954527826461
Energy: 1.762309249213218
Energy: 1.62195452782552
Energy: 1.787491474643576
Energy: 1.6375541016273407
Energy: 1.984888142100297
Energy: 1.6375541016273407
Energy: 1.7556916783472871
Energy: 1.637346086885
Energy: 1.8245455952520164
Energy: 1.637346086885941
Energy: 1.9050440219857099
Energy: 1.8499694850679234
Energy: 1.765123988815759
Energy: 1.8499694850688642
Energy: 1.7922781235374619
Energy: 1.621400769461792
Energy: 1.7801079127337525
Energy: 1.621400769461792
Energy: 1.8049942819715201
Energy: 1.6364897520379593
Energy: 1.8667650888422873
Energy: 1.6364897520379593
Energy: 1.8367374542108053
Energy: 1.6355964764806932
Energy: 1.7646074208440665
Energy: 1.6355964764806932
Energy: 1.8667118594514782
Energy: 1.7857871627086637
Energy: 1.8486079399406696
Energy: 1.7857871627096047

minimum gb energy = 1.6194460203168755 eV
minimum distance =  2.45116507339742 Angstroms
sigma value = 37


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

Energy: 1.87115796033112
Energy: 1.5914404692649782
Energy: 6.142141599883592
Energy: 1.5914404692665969
Energy: 1.9571572118900824
Energy: 1.6215201134174562
Energy: 1.7729830287667991
Energy: 1.6215201134174562
Energy: 10.102261659362664
Energy: 1.5212657674298475
Energy: 1.7712171543025184
Energy: 1.5212657674298475
Energy: 1.8129741634396712
Energy: 1.7222289516787745
Energy: 1.77236996436946
Energy: 1.7222289516787745
Energy: 1.6903507710781622
Energy: 1.5129156323510495
Energy: 1.851259046226313
Energy: 1.5129156323494304
Energy: 1.8131629192232888
Energy: 1.5441924507642102
Energy: 1.779850998200976
Energy: 1.5441924507642102
Energy: 1.7160504170335111
Energy: 1.5211257551111446
Energy: 1.687807116929339
Energy: 1.5211257551111446
Energy: 1.7919984085153158
Energy: 1.6547655078878454
Energy: 1.7713180846742105
Energy: 1.6547655078878454
Energy: 1.7192041072351378
Energy: 1.5134361256390414
Energy: 1.677943831319486
Energy: 1.5134361256390414
Energy: 1.808366079810348
Energy: 1.5419316448720897
Energy: 1.677276455139912
Energy: 1.5419316448704705
Energy: 1.6466451712667938
Energy: 1.5207369585857233
Energy: 1.7984865552122322
Energy: 1.520736958587342
Energy: 1.6609026197596644
Energy: 1.5416508746299684
Energy: 1.952606247803167
Energy: 1.5416508746299684
Energy: 10.22781234542177
Energy: 1.5127325028965977
Energy: 1.7501293202571102
Energy: 1.5127325028949787
Energy: 1.782070921435242
Energy: 1.5144479405505413
Energy: 1.7833707969218913
Energy: 1.5144479405489226
Energy: 1.8046995141497213
Energy: 1.5834946767797797
Energy: 10.095494756739557
Energy: 1.5834946767797797
Energy: 1.8221166343823962
Energy: 1.6088662522522879
Energy: 1.8138266861019494
Energy: 1.6088662522522879
Energy: 10.162513108836977
Energy: 1.5128343300467415
Energy: 1.7495712800262386
Energy: 1.5128343300467415
Energy: 1.7741586206275974
Energy: 1.5145364304142293
Energy: 1.7834624215235424
Energy: 1.5145364304142293
Energy: 1.647243588335171
Energy: 1.5199217604943873
Energy: 1.8505974993113263
Energy: 1.5199217604943873
Energy: 1.6454754620846583
Energy: 1.5428045305380529
Energy: 1.8684087823414108
Energy: 1.5428045305380529

minimum gb energy = 1.5127325028949787 eV
minimum distance =  2.49379724158209 Angstroms
sigma value = 25


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

Energy: 1.7777632317139391
Energy: 1.446263098332782
Energy: 10.189725815524469
Energy: 1.446263098332782
Energy: 1.727435623939721
Energy: 1.5955095765609262
Energy: 1.7098584829089447
Energy: 1.595509576559662
Energy: 8.49336465023544
Energy: 1.3869896057114885
Energy: 1.7134144457939016
Energy: 1.3869896057127526
Energy: 1.612376311301899
Energy: 1.4081591188284261
Energy: 1.703783347776775
Energy: 1.4081591188284261
Energy: 1.6330676318177875
Energy: 1.3545086094302767
Energy: 8.511756840728681
Energy: 1.3545086094302767
Energy: 1.6118529687817802
Energy: 1.3820046259407965
Energy: 1.6363878511708796
Energy: 1.3820046259407965
Energy: 1.5957368448738014
Energy: 1.3525035456490606
Energy: 1.6104128769112696
Energy: 1.3525035456490606
Energy: 1.6275066869823405
Energy: 1.3640539043829205
Energy: 1.6624940826217331
Energy: 1.3640539043841848
Energy: 1.5619885565677443
Energy: 1.355193932436535
Energy: 1.5811161687298072
Energy: 1.3551939324377993
Energy: 1.6422160609832683
Energy: 1.4246113340949764
Energy: 1.6087770594909634
Energy: 1.4246113340949764
Energy: 1.5607517949315586
Energy: 1.3518651710536194
Energy: 1.582458729406069
Energy: 1.3518651710536194
Energy: 1.5748057079228537
Energy: 1.3645341050513762
Energy: 1.6593317672598078
Energy: 1.3645341050513762
Energy: 1.5950499317164042
Energy: 1.3538449212285801
Energy: 1.5563653142879512
Energy: 1.353844921227316
Energy: 1.7376260069008238
Energy: 1.36752747946656
Energy: 1.547020017635999
Energy: 1.3675274794678243
Energy: 1.5820429313997681
Energy: 1.3515105124491043
Energy: 1.6647822978282303
Energy: 1.3515105124503684
Energy: 1.6117662348937019
Energy: 1.3537556833571556
Energy: 1.7033244028952856
Energy: 1.3537556833571556
Energy: 8.530453035881937
Energy: 1.3843625837136633
Energy: 1.6430725378697293
Energy: 1.3843625837136633
Energy: 1.6648560934118832
Energy: 1.474566487689421
Energy: 1.633874016549706
Energy: 1.474566487689421
Energy: 1.7108929365940184
Energy: 1.438982531427846
Energy: 7.907748468299687
Energy: 1.438982531427846
Energy: 1.724370317534288
Energy: 1.4439086055115111
Energy: 1.7042927226292464
Energy: 1.4439086055127757
Energy: 8.452494523162429
Energy: 1.3842501733281327
Energy: 1.6431720632448341
Energy: 1.3842501733293968
Energy: 1.7296133013515802
Energy: 1.413751196797127
Energy: 1.6334424008763038
Energy: 1.4137511967983913
Energy: 1.5823672695218094
Energy: 1.3514345104759842
Energy: 8.530388659172688
Energy: 1.35143451047472
Energy: 1.644236656466998
Energy: 1.3525175861759755
Energy: 1.6314031495380361
Energy: 1.3525175861747114
Energy: 1.5923125715477096
Energy: 1.3539340880413961
Energy: 1.5563417607459669
Energy: 1.3539340880413961
Energy: 1.6636289270318936
Energy: 1.3660118725955674
Energy: 1.6083355498114462
Energy: 1.366011872596832

minimum gb energy = 1.35143451047472 eV
minimum distance =  2.50171749716141 Angstroms
sigma value = 41


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

Energy: 1.7419599230552791
Energy: 1.3307517167710134
Energy: 9.19409844856754
Energy: 1.3307517167689407
Energy: 1.5940754287947663
Energy: 1.3600864728773219
Energy: 1.569763650751419
Energy: 1.3600864728773219
Energy: 7.445159963847249
Energy: 1.2897065247997241
Energy: 1.6404388956789309
Energy: 1.2897065247986876
Energy: 1.5598342207193734
Energy: 1.5237407984545317
Energy: 1.5696135447429855
Energy: 1.5237407984545317
Energy: 1.6058465912200386
Energy: 1.2464591957478512
Energy: 7.525255779437055
Energy: 1.2464591957488877
Energy: 1.5597126727915194
Energy: 1.2726344053940903
Energy: 1.5069649602385966
Energy: 1.2726344053940903
Energy: 1.5096877494182368
Energy: 1.2287551068073743
Energy: 1.5348937305030337
Energy: 1.2287551068073743
Energy: 1.5222666118788442
Energy: 1.2744944939674248
Energy: 1.5065112678373276
Energy: 1.2744944939674248
Energy: 1.5242824603451073
Energy: 1.2280336715413762
Energy: 1.4724627020804486
Energy: 1.2280336715413762
Energy: 1.5565638635682415
Energy: 1.3088190818933083
Energy: 1.5226281675191211
Energy: 1.3088190818933083
Energy: 1.478213962495285
Energy: 1.2290527571982481
Energy: 1.4716263029899401
Energy: 1.2290527571982481
Energy: 1.5006823472152961
Energy: 1.2740222253989555
Energy: 1.5461168298698833
Energy: 1.274022225396883
Energy: 1.4854417677332172
Energy: 1.228499908262351
Energy: 1.464543539238322
Energy: 1.2284999082592416
Energy: 1.5569859627632134
Energy: 1.2392499894987534
Energy: 1.5172066685228678
Energy: 1.23924998949979
Energy: 1.511532743976622
Energy: 1.2293243391495114
Energy: 1.4700631926022651
Energy: 1.2293243391495114
Energy: 1.5024069778218567
Energy: 1.2381225094344435
Energy: 1.6104111051404213
Energy: 1.2381225094334072
Energy: 1.5091645570483763
Energy: 1.2286432776261649
Energy: 1.5220897555090156
Energy: 1.2286432776282377
Energy: 1.5547492848966988
Energy: 1.228981970897042
Energy: 1.5147558677361161
Energy: 1.228981970897042
Energy: 1.5371822297212296
Energy: 1.2462394111157145
Energy: 6.991665315091896
Energy: 1.2462394111157145
Energy: 1.5248212534548085
Energy: 1.4165252383929638
Energy: 1.6558054627524013
Energy: 1.4165252383929638
Energy: 7.258822007209665
Energy: 1.2838479550501662
Energy: 1.5734091685290161
Energy: 1.2838479550501662
Energy: 1.6647348751401956
Energy: 1.3382317400907187
Energy: 1.5654843551784985
Energy: 1.3382317400917554
Energy: 1.657871506837199
Energy: 1.3263798167470509
Energy: 12.384318188051424
Energy: 1.3263798167460144
Energy: 1.5999608051457654
Energy: 1.3503699978034605
Energy: 1.6560978984094314
Energy: 1.3503699978024242
Energy: 7.552120385575135
Energy: 1.2835479337750002
Energy: 1.5734008191288344
Energy: 1.2835479337750002
Energy: 1.555610081382953
Energy: 1.2837089910215915
Energy: 1.5650856607785277
Energy: 1.2837089910205552
Energy: 1.5374802891562367
Energy: 1.2462961397072114
Energy: 7.074646704680817
Energy: 1.246296139708248
Energy: 1.5245012830744873
Energy: 1.2661148172380623
Energy: 1.5706821201606755
Energy: 1.2661148172401353
Energy: 1.5066874209087946
Energy: 1.2286383138411232
Energy: 1.5219110050320286
Energy: 1.2286383138421595
Energy: 1.5246325660297955
Energy: 1.228641236053005
Energy: 1.5137179016838829
Energy: 1.228641236053005
Energy: 1.5112587390403096
Energy: 1.2292759308020316
Energy: 1.4696395191875335
Energy: 1.2292759308020316
Energy: 1.5053092475735437
Energy: 1.2364807540371672
Energy: 1.542283957000205
Energy: 1.2364807540382037

minimum gb energy = 1.2280336715413762 eV
minimum distance =  2.51452564560387 Angstroms
sigma value = 15


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

Energy: 1.6506997740871054
Energy: 1.2484758382701806
Energy: 8.909709560970569
Energy: 1.2484758382701806
Energy: 1.5498515636087917
Energy: 1.285597864729781
Energy: 1.5306313489226513
Energy: 1.2855978647280248
Energy: 11.067257323364585
Energy: 1.1955574422239503
Energy: 1.5827558414022596
Energy: 1.1955574422230721
Energy: 1.4669592246835532
Energy: 1.2208951763459737
Energy: 1.5303474508617145
Energy: 1.2208951763450957
Energy: 1.5482042458025493
Energy: 1.1701185622137806
Energy: 6.588438951877115
Energy: 1.1701185622120247
Energy: 1.4662061402708033
Energy: 1.2046032005635432
Energy: 1.4617031607389293
Energy: 1.2046032005644212
Energy: 6.409441196591492
Energy: 1.1422783672023327
Energy: 1.4779467227657765
Energy: 1.1422783672049663
Energy: 1.4297499907990332
Energy: 1.18628416667415
Energy: 1.4611076767415225
Energy: 1.1862841666732722
Energy: 1.4565361106820982
Energy: 1.1323202765270364
Energy: 1.3842735124174486
Energy: 1.1323202765270364
Energy: 1.4296669429965723
Energy: 1.1645003681345103
Energy: 1.4558726768401489
Energy: 1.1645003681345103
Energy: 1.3778973351224506
Energy: 1.1323309856313275
Energy: 1.407115219533857
Energy: 1.1323309856330834
Energy: 1.4402284639839131
Energy: 1.186241450098048
Energy: 1.5051659602860916
Energy: 1.186241450099804
Energy: 1.4013897571347722
Energy: 1.132409148885409
Energy: 1.369231296864348
Energy: 1.1324091488845311
Energy: 1.4782678010574315
Energy: 1.1603856157005625
Energy: 1.4224546971687517
Energy: 1.1603856156996846
Energy: 1.3920033813207437
Energy: 1.1323803640169066
Energy: 1.3723873250407541
Energy: 1.1323803640160286
Energy: 1.435422775087903
Energy: 1.1598659264230498
Energy: 1.4813508289043
Energy: 1.1598659264248057
Energy: 1.381383414915145
Energy: 1.1325770631615915
Energy: 1.3974399239598212
Energy: 1.1325770631615915
Energy: 1.513519523206733
Energy: 1.139616487836273
Energy: 1.4257242219068336
Energy: 1.1396164878371506
Energy: 1.4452723843034052
Energy: 1.1322520751826906
Energy: 1.3833719997904925
Energy: 1.132252075183569
Energy: 1.4475792017606561
Energy: 1.1645341245627157
Energy: 1.457044641518642
Energy: 1.1645341245609595
Energy: 1.4083083435884984
Energy: 1.1426245578857284
Energy: 1.465732802958051
Energy: 1.1426245578848502
Energy: 1.5160219448942371
Energy: 1.3052921635116077
Energy: 1.4406847252379456
Energy: 1.3052921635124861
Energy: 1.4799940857500278
Energy: 1.1694213994359421
Energy: 6.71169985749935
Energy: 1.169421399435064
Energy: 1.4750472299559934
Energy: 1.362866920816237
Energy: 1.5217315755905625
Energy: 1.362866920816237
Energy: 7.750322156723483
Energy: 1.1946955232265806
Energy: 1.5169787695892316
Energy: 1.1946955232257026
Energy: 1.4940518919266834
Energy: 1.2666875244404294
Energy: 1.497389923570692
Energy: 1.2666875244386733
Energy: 1.5720473462892885
Energy: 1.2363576836493144
Energy: 11.063861871833288
Energy: 1.2363576836519483
Energy: 1.5389193554321308
Energy: 1.2816516359894692
Energy: 1.5211762635358803
Energy: 1.2816516359894692
Energy: 11.213016979074167
Energy: 1.1945960190177423
Energy: 1.5165231856269976
Energy: 1.1945960190168643
Energy: 1.5166754711894612
Energy: 1.218852733232075
Energy: 1.4977278954983047
Energy: 1.218852733232075
Energy: 1.4802452614119408
Energy: 1.1690114742700923
Energy: 6.4069297712422495
Energy: 1.1690114742700923
Energy: 1.4761021774206209
Energy: 1.2084451040336313
Energy: 1.4578034487121436
Energy: 1.2084451040336313
Energy: 6.476270560419
Energy: 1.142768647807432
Energy: 1.4660391319740282
Energy: 1.1427686478065537
Energy: 1.4681384983993524
Energy: 1.1579549451890208
Energy: 1.441115848985217
Energy: 1.1579549451881428
Energy: 1.4452750576813713
Energy: 1.1322112761141938
Energy: 1.3977698977906172
Energy: 1.1322112761150718
Energy: 1.4357507229275595
Energy: 1.1631299331277287
Energy: 1.4409135935598303
Energy: 1.1631299331259728
Energy: 1.3838424652580819
Energy: 1.1327566052290399
Energy: 1.3981423469185537
Energy: 1.132756605230796

minimum gb energy = 1.1322112761141938 eV
minimum distance =  2.52340629879171 Angstroms
sigma value = 85


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

Energy: 1.6628103999315955
Energy: 1.176864514906026
Energy: 6.961375712963433
Energy: 1.1768645149067876
Energy: 1.3810472579014996
Energy: 1.2845924851502923
Energy: 1.4320700130104158
Energy: 1.2845924851502923
Energy: 8.257168694018615
Energy: 1.1465451643571685
Energy: 1.6018193650712738
Energy: 1.1465451643564069
Energy: 1.4062114871486193
Energy: 1.13893859538821
Energy: 1.4320710894791928
Energy: 1.1389385953874485
Energy: 1.5220782201033167
Energy: 1.094582901512215
Energy: 4.989542167657283
Energy: 1.0945829015114537
Energy: 1.4056010630125573
Energy: 1.10801200020857
Energy: 1.3732912276736937
Energy: 1.1080120002078084
Energy: 5.607813977173981
Energy: 1.0791268709654824
Energy: 1.4782928741853796
Energy: 1.0791268709647213
Energy: 1.3676292816155113
Energy: 1.0793233112162524
Energy: 1.3742245166559945
Energy: 1.0793233112177754
Energy: 1.4100948013504226
Energy: 1.0465327346095876
Energy: 1.3144269671578388
Energy: 1.0465327346095876
Energy: 1.3678788338557657
Energy: 1.0659624123817852
Energy: 1.3618065194475344
Energy: 1.065962412380262
Energy: 1.281900460855337
Energy: 1.0464284099795058
Energy: 1.3845897896670996
Energy: 1.0464284099795058
Energy: 1.374036527898509
Energy: 1.055408129254983
Energy: 1.3491201934277988
Energy: 1.055408129254983
Energy: 1.3312664249778954
Energy: 1.046362165724391
Energy: 1.2952350457987378
Energy: 1.046362165724391
Energy: 1.4229148200726864
Energy: 1.0827385309570268
Energy: 1.3567519562532664
Energy: 1.0827385309577537
Energy: 1.2826372023170927
Energy: 1.0463779463384955
Energy: 1.3244769246980097
Energy: 1.0463779463362108
Energy: 1.3527943727408032
Energy: 1.0689731261471571
Energy: 1.3917588149503686
Energy: 1.0689731261471571
Energy: 1.288051079685025
Energy: 1.0465476143126708
Energy: 1.3086095409207263
Energy: 1.0465476143111478
Energy: 1.4209456031317622
Energy: 1.0684859841072247
Energy: 1.357247341166501
Energy: 1.068485984106463
Energy: 1.3146894326458611
Energy: 1.046185216345806
Energy: 1.3004721598816884
Energy: 1.0461852163450447
Energy: 1.345079046690904
Energy: 1.0408791333182017
Energy: 1.4401485808600196
Energy: 1.0408791333182017
Energy: 1.2835699018630202
Energy: 1.0463621564337844
Energy: 1.3519895367247527
Energy: 1.0463621564337844
Energy: 1.365528917766101
Energy: 1.0556515201575059
Energy: 1.3616636252839713
Energy: 1.0556515201567447
Energy: 1.3756225921016265
Energy: 1.0464765743023556
Energy: 1.3143105166735702
Energy: 1.0464765743031172
Energy: 1.368463261562265
Energy: 1.1986161189047628
Energy: 1.4003596422064097
Energy: 1.1986161189040017
Energy: 5.371323016863556
Energy: 1.0787591224060589
Energy: 1.4226444859721343
Energy: 1.0787591224052975
Energy: 1.407552030910394
Energy: 1.2131862535741695
Energy: 1.3723480005752924
Energy: 1.2131862535741695
Energy: 1.4639117070043546
Energy: 1.09373186926981
Energy: 5.9080368622042805
Energy: 1.09373186926981
Energy: 1.397415281511783
Energy: 1.1296607557341476
Energy: 1.3552510715884318
Energy: 1.1296607557341476
Energy: 9.456168555481417
Energy: 1.1454993833280802
Energy: 1.4849210904946417
Energy: 1.1454993833257958
Energy: 1.3815490074556678
Energy: 1.1840223688228153
Energy: 1.432075145182535
Energy: 1.1840223688228153
Energy: 1.5473246483330407
Energy: 1.176013869983986
Energy: 9.390424741980128
Energy: 1.176013869982463
Energy: 1.476458766979398
Energy: 1.1711404075520886
Energy: 1.3551880169878503
Energy: 1.171140407551327
Energy: 9.394772973714902
Energy: 1.1455602582222009
Energy: 1.4852661338132809
Energy: 1.1455602582229623
Energy: 1.408246408422812
Energy: 1.1393748085713316
Energy: 1.432026232118554
Energy: 1.1393748085713316
Energy: 1.4642181914326957
Energy: 1.0939460057992183
Energy: 5.498006941158219
Energy: 1.0939460057984567
Energy: 1.3973330275508355
Energy: 1.0922426499400126
Energy: 1.4007099470820152
Energy: 1.0922426499415356
Energy: 5.570361758153821
Energy: 1.0785553528985437
Energy: 1.4223254186311103
Energy: 1.0785553528993048
Energy: 1.3667969070563604
Energy: 1.0799121613618052
Energy: 1.3721696149322498
Energy: 1.0799121613610436
Energy: 1.375641330595432
Energy: 1.0462270445640096
Energy: 1.3132322004477937
Energy: 1.046227044563248
Energy: 1.3561771878296558
Energy: 1.0492723948995861
Energy: 1.3790369547567236
Energy: 1.0492723949003475
Energy: 1.2811873825854245
Energy: 1.0461262460487843
Energy: 1.3521681090216107
Energy: 1.0461262460495457
Energy: 1.3650034170151708
Energy: 1.0561736340846268
Energy: 1.3502002723624327
Energy: 1.0561736340838652
Energy: 1.3145656204755898
Energy: 1.0335332589765387
Energy: 1.2950988254043003
Energy: 1.0335332589773003

minimum gb energy = 1.0335332589765387 eV
minimum distance =  2.5258561904661 Angstroms
sigma value = 113


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

Energy: 0.019687820681986917
Energy: 0.019949627098083608
Energy: 4.887557916407789
Energy: 0.019949627097498215
Energy: 0.02000216849633572
Energy: 1.0330392140875084
Energy: 0.020002168495750327
Energy: 1.0330392140875084
Energy: 12.088550701123761
Energy: 0.019949627098083608
Energy: 0.019687820681986917
Energy: 0.019949627098083608
Energy: 0.02000216849633572
Energy: 1.0330392140869231
Energy: 0.02000216849633572
Energy: 1.0330392140869231
Energy: 0.019687820681986917
Energy: 0.019949627097498215
Energy: 31.289884983936105
Energy: 0.019949627098083608
Energy: 0.02000216849633572
Energy: 1.0330392140875084
Energy: 0.020002168495750327
Energy: 1.0330392140869231

minimum gb energy = 0.019687820681986917 eV
minimum distance =  2.69846477725328 Angstroms
sigma value = 1