Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
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=6.810535640529527
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: 0.017406880225557288
Energy: 0.017636479778129918
Energy: 9.164095270612458
Energy: 0.017636479778129918
Energy: 0.017636479778129918
Energy: 0.01828860935143057
Energy: 1.4263169614502251
Energy: 0.01828860935143057
Energy: 9.17291500050544
Energy: 1.426316961451053
Energy: 1.4262789438515564
Energy: 1.4263169614502251
Energy: 0.017636479778129918
Energy: 0.01828860935143057
Energy: 1.4263169614502251
Energy: 0.01828860935143057

minimum gb energy = 0.017406880225557288 eV
minimum distance =  2.71936009006121 Angstroms
sigma value = 1


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

Energy: 2.097131702635114
Energy: 1.8365189194227711
Energy: 11.279626177014908
Energy: 1.8365189194217673
Energy: 2.212383755837898
Energy: 1.6886355210825963
Energy: 1.5890429334557379
Energy: 1.6886355210815924
Energy: 2.465996182769246
Energy: 1.5210985520194797
Energy: 1.4704455598047326
Energy: 1.5210985520194797
Energy: 1.9809937627037293
Energy: 1.7353067770588952
Energy: 1.5208734965908488
Energy: 1.7353067770578914
Energy: 1.9986786221763568
Energy: 1.7375528218679805
Energy: 2.0444812148358804
Energy: 1.7375528218669767
Energy: 2.1691604565813187
Energy: 1.6771111206084943
Energy: 1.45525787681189
Energy: 1.6771111206094982
Energy: 1.7046106295718901
Energy: 1.7273621053425532
Energy: 1.455148405744025
Energy: 1.727362105341549
Energy: 1.458200255206698
Energy: 1.6171169201725875
Energy: 2.0034150826276016
Energy: 1.6171169201715834
Energy: 1.7039363481713035
Energy: 1.7256775598362644
Energy: 1.9347404278661229
Energy: 1.7256775598362644
Energy: 2.2894779045059646
Energy: 1.7632416109626532
Energy: 1.7257743136058517
Energy: 1.7632416109626532
Energy: 1.4754221399000367
Energy: 1.7350050802280315
Energy: 1.8405419197575297
Energy: 1.7350050802290358
Energy: 1.4756246194775842
Energy: 1.4753836852122304
Energy: 2.7570699485744012
Energy: 1.4753836852122304
Energy: 1.8232176315096353
Energy: 1.7404288761244593
Energy: 1.9984518779630465
Energy: 1.7404288761224511
Energy: 7.589102672189797
Energy: 1.7344233689433988
Energy: 2.008903632911748
Energy: 1.734423368942395
Energy: 1.510765358067999
Energy: 1.679661444199102
Energy: 2.16351515206482
Energy: 1.6796614441980982
Energy: 1.510671749711303
Energy: 1.6799232837007514
Energy: 2.171348581128955
Energy: 1.6799232837027593
Energy: 7.803060381842967
Energy: 1.7339613294376017
Energy: 2.011533621250655
Energy: 1.73396132943961
Energy: 1.8245086974063562
Energy: 1.7365658404071354
Energy: 2.004215920234721
Energy: 1.7365658404101478
Energy: 1.4813772377038794
Energy: 1.475315690122992
Energy: 2.8832969452314794
Energy: 1.475315690122992
Energy: 1.4755672805118634
Energy: 1.7362274464867464
Energy: 1.725203829656512
Energy: 1.7362274464867464
Energy: 2.3197766946907685
Energy: 1.722280564132563
Energy: 1.7127948728738536
Energy: 1.722280564132563
Energy: 1.7130887103023065
Energy: 1.684665209415365
Energy: 1.9347756519671682
Energy: 1.6846652094163688
Energy: 1.5937037610229825
Energy: 1.615165399292365
Energy: 1.7577618818980285
Energy: 1.6151653992903567
Energy: 1.9566341570498993
Energy: 1.7216580626199323
Energy: 1.4547963843717293
Energy: 1.7216580626199323
Energy: 2.169356317246232
Energy: 1.6767642547556187
Energy: 1.455112060594679
Energy: 1.6767642547556187
Energy: 1.9983033455298689
Energy: 1.7339548223009187
Energy: 7.784389346835088
Energy: 1.7339548223019232
Energy: 1.9840786690880703
Energy: 1.7341655137718572
Energy: 1.5211957754383179
Energy: 1.7341655137728613
Energy: 2.46699713260288
Energy: 1.5209984105875443
Energy: 1.4713537514440898
Energy: 1.5209984105885486
Energy: 2.210099902722062
Energy: 1.6877679276066955
Energy: 1.589372658810727
Energy: 1.6877679276076993
Energy: 2.076716980306323
Energy: 1.77222887093611
Energy: 13.476464327951318
Energy: 1.77222887093611
Energy: 2.1826525933808134
Energy: 1.6882284573928874
Energy: 1.589000683988371
Energy: 1.6882284573938913
Energy: 2.1690525470509803
Energy: 1.634397975562732
Energy: 1.472103259564515
Energy: 1.63439797556474
Energy: 1.998538453872013
Energy: 1.7373686929105896
Energy: 1.5212312552690799
Energy: 1.7373686929125978

minimum gb energy = 1.4547963843717293 eV
minimum distance =  2.47517075242073 Angstroms
sigma value = 1


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

Energy: 2.2041255876741084
Energy: 1.850760666300644
Energy: 9.30468156552057
Energy: 1.850760666300644
Energy: 2.04263311310904
Energy: 1.7936384587366017
Energy: 1.8340984369363458
Energy: 1.793638458735457
Energy: 2.064288175729074
Energy: 1.535648936523386
Energy: 1.53525109655017
Energy: 1.535648936524531
Energy: 1.4945906311153294
Energy: 1.7968289661375065
Energy: 1.6727063517971505
Energy: 1.7968289661375065
Energy: 1.4947343286634527
Energy: 1.796162922544176
Energy: 2.3226495071365485
Energy: 1.796162922544176
Energy: 2.0641314779445823
Energy: 1.5120324270006933
Energy: 1.5113537619746713
Energy: 1.5120324270006933
Energy: 1.512498524571024
Energy: 1.7926656001517254
Energy: 1.5112816628029133
Energy: 1.7926656001517254
Energy: 1.5114470361793233
Energy: 1.5116686965956523
Energy: 2.2310306962104574
Energy: 1.5116686965956523
Energy: 1.5120456388850694
Energy: 1.663799120355786
Energy: 2.0674382969480654
Energy: 1.663799120355786
Energy: 14.439924268366333
Energy: 1.494985746137308
Energy: 1.4946828400371763
Energy: 1.494985746137308
Energy: 1.53543944843385
Energy: 1.7906915092024223
Energy: 2.0675292992424663
Energy: 1.7906915092024223
Energy: 1.627241487500957
Energy: 1.670994011469124
Energy: 2.6572058258203812
Energy: 1.6709940114679793
Energy: 14.084861422434791
Energy: 1.7966881099979046
Energy: 2.136806978629755
Energy: 1.7966881099990495
Energy: 13.854814035233252
Energy: 1.7967045495227734
Energy: 2.137756946688389
Energy: 1.7967045495227734
Energy: 1.6269177902098348
Energy: 1.6709817277428913
Energy: 2.6562819084343743
Energy: 1.6709817277428913
Energy: 1.5354020307231313
Energy: 1.7906425601035618
Energy: 2.067539628921137
Energy: 1.7906425601035618
Energy: 14.30351828644399
Energy: 1.494971499397171
Energy: 1.4946867948741078
Energy: 1.494971499397171
Energy: 1.512267019973936
Energy: 1.6637050697023592
Energy: 2.067670025484793
Energy: 1.6637050697023592
Energy: 1.511438087874827
Energy: 1.5115931689944546
Energy: 2.2310306961967203
Energy: 1.5115931689933098
Energy: 1.5123199696010552
Energy: 1.7926167977526775
Energy: 1.511409184162629
Energy: 1.7926167977515324
Energy: 2.063653528974483
Energy: 1.5122327915766742
Energy: 1.5115915001879652
Energy: 1.512232791577819
Energy: 1.4946980673174308
Energy: 1.7909205370954449
Energy: 2.3226495071617332
Energy: 1.7909205370954449
Energy: 1.4946135386201438
Energy: 1.7965553952453521
Energy: 1.6727063517982952
Energy: 1.796555395246497
Energy: 2.064175770113998
Energy: 1.5356343698768369
Energy: 1.5353287533896205
Energy: 1.5356343698768369
Energy: 2.042697381003706
Energy: 1.7939005188819748
Energy: 1.8340984369363458
Energy: 1.7939005188808297
Energy: 2.2041255876741084
Energy: 1.8507606663017886
Energy: 9.306331892921357
Energy: 1.850760666300644
Energy: 2.0426331131078954
Energy: 1.7936384587366017
Energy: 1.8340984369352007
Energy: 1.7936384587366017
Energy: 2.064288175729074
Energy: 1.535648936524531
Energy: 1.53525109655017
Energy: 1.535648936523386
Energy: 1.4945906311164745
Energy: 1.7968289661375065
Energy: 1.6727063517971505
Energy: 1.7968289661375065

minimum gb energy = 1.4945906311153294 eV
minimum distance =  2.48269410138917 Angstroms
sigma value = 25


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

Energy: 2.036692748804974
Energy: 2.0367261889617776
Energy: 6.922289724478567
Energy: 2.036726188960446
Energy: 2.2686806563267914
Energy: 1.7698264716786478
Energy: 1.7985536392943093
Energy: 1.7698264716786478
Energy: 2.265972675188235
Energy: 1.6334559064192387
Energy: 1.6067457779676868
Energy: 1.6334559064192387
Energy: 1.9725125919747033
Energy: 1.802409961835467
Energy: 1.7990534607797857
Energy: 1.802409961835467
Energy: 1.952895098059835
Energy: 1.8024932535035476
Energy: 1.9986877359148236
Energy: 1.8024932535035476
Energy: 2.2484498329951954
Energy: 1.5790983884675847
Energy: 1.578889187191699
Energy: 1.5790983884689154
Energy: 1.6170515097357674
Energy: 1.9213710327182472
Energy: 1.5789901118079055
Energy: 1.9213710327182472
Energy: 1.5759869424337647
Energy: 1.6169519594640815
Energy: 2.6348149315910443
Energy: 1.6169519594654123
Energy: 1.7207495515067344
Energy: 1.8652943615666504
Energy: 1.9646033094622353
Energy: 1.8652943615679813
Energy: 9.55935863891916
Energy: 1.912894540120058
Energy: 1.9839759035695994
Energy: 1.9128945401054196
Energy: 1.6863856116131613
Energy: 1.8652223724200394
Energy: 2.226676208724807
Energy: 1.8652223724213703
Energy: 1.698778781327442
Energy: 1.6176007553033203
Energy: 2.222597560085757
Energy: 1.6176007553033203
Energy: 9.216648723657077
Energy: 1.8269274234855428
Energy: 1.9668559240859729
Energy: 1.8269274234855428
Energy: 1.721872462535299
Energy: 1.8654488482750209
Energy: 1.955501028272528
Energy: 1.8654488482750209
Energy: 1.5847969136569293
Energy: 1.6174395848924976
Energy: 2.6009696118125794
Energy: 1.6174395848924976
Energy: 1.6166817411981715
Energy: 1.803163480457285
Energy: 1.5794352572450576
Energy: 1.8031634804559542
Energy: 2.67053401270005
Energy: 1.5790600593863655
Energy: 1.578844129848491
Energy: 1.5790600593863655
Energy: 1.9286678559548396
Energy: 1.8027371130997498
Energy: 1.9977883096597522
Energy: 1.8027371131010805
Energy: 1.9699651213023246
Energy: 1.802428593309873
Energy: 1.799108869443111
Energy: 1.802428593309873
Energy: 1.9297682185819605
Energy: 1.5793670595194707
Energy: 1.608651417138239
Energy: 1.5793670595194707
Energy: 2.2781137854268896
Energy: 1.7701881463942089
Energy: 1.6340783477562442
Energy: 1.7701881463942089
Energy: 2.0272735465933005
Energy: 1.951880338126533
Energy: 8.323058559575736
Energy: 1.9518803381252023
Energy: 2.265569161962409
Energy: 1.8958381639104986
Energy: 1.7993835758716283
Energy: 1.8958381639104986
Energy: 2.4090635035446635
Energy: 1.6334824641096866
Energy: 1.6334552323532048
Energy: 1.6334824641096866
Energy: 1.953894780596777
Energy: 1.8025328120918767
Energy: 1.6341184037128849
Energy: 1.8025328120932076

minimum gb energy = 1.5759869424337647 eV
minimum distance =  2.43198444326754 Angstroms
sigma value = 9


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

Energy: 1.6159811647662516
Energy: 1.6167494455143705
Energy: 10.968370672930508
Energy: 1.616749445515958
Energy: 1.6155102814003703
Energy: 1.8345513790256744
Energy: 1.6209092029587775
Energy: 1.8345513790256744
Energy: 1.802683486221177
Energy: 1.6794685712020847
Energy: 1.8029592116794502
Energy: 1.6794685712020847
Energy: 1.6200014949045372
Energy: 1.6199923351661905
Energy: 1.6220725097137692
Energy: 1.6199923351661905
Energy: 1.6204029637248683
Energy: 1.6212493227636617
Energy: 1.8013040670613703
Energy: 1.6212493227652491
Energy: 2.813042455601676
Energy: 1.6201166760915617
Energy: 1.6196242691851992
Energy: 1.6201166760899741
Energy: 1.8027200027209922
Energy: 1.6213499567860037
Energy: 1.6203503573678053
Energy: 1.6213499567860037
Energy: 1.8025810048940594
Energy: 1.80144158986645
Energy: 2.399979938540415
Energy: 1.80144158986645
Energy: 17.43001325878006
Energy: 1.8347577368300092
Energy: 1.6155742444524417
Energy: 1.8347577368300092
Energy: 17.436221012576436
Energy: 1.615654708010407
Energy: 1.6156258901116411
Energy: 1.6156547080119943
Energy: 1.8026828212398178
Energy: 1.8343177923894756
Energy: 2.3995519407696655
Energy: 1.8343177923894756
Energy: 1.6789577339793376
Energy: 1.8540987199062897
Energy: 1.6208256629841973
Energy: 1.8540987199047023
Energy: 2.8130528457070394
Energy: 1.6203387011273322
Energy: 1.6197586190707154
Energy: 1.6203387011289199
Energy: 1.6200669763600584
Energy: 1.7264301461020501
Energy: 1.6206049579142505
Energy: 1.7264301461020501
Energy: 1.619779036711359
Energy: 1.6202404087098026
Energy: 2.8130528457070394
Energy: 1.6202404087098026
Energy: 1.6201624197354665
Energy: 1.8543911126291202
Energy: 1.6790191530759098
Energy: 1.8543911126307075
Energy: 2.399600692743691
Energy: 1.834381826793725
Energy: 1.8027110363932493
Energy: 1.834381826793725
Energy: 1.61565851158087
Energy: 1.6157212370539145
Energy: 17.4777188772995
Energy: 1.6157212370539145
Energy: 1.6155375434963584
Energy: 1.8352539968277197
Energy: 17.449503924273454
Energy: 1.8352539968277197
Energy: 2.4000307039209035
Energy: 1.8014763598171544
Energy: 1.8028577694398307
Energy: 1.8014763598171544
Energy: 1.6204287949153278
Energy: 1.6212963633996693
Energy: 1.8026017802856555
Energy: 1.6212963633996693

minimum gb energy = 1.6155102814003703 eV
minimum distance =  2.4840029122814 Angstroms
sigma value = 25


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

Energy: 1.7800502139055718
Energy: 2.28339181106432
Energy: 8.341087014120475
Energy: 2.28339181106432
Energy: 2.272540396457943
Energy: 1.8143005319998198
Energy: 1.807773619618295
Energy: 1.814300532001783
Energy: 2.0816553712495955
Energy: 1.7459457507442333
Energy: 1.7490755766743238
Energy: 1.7459457507442333
Energy: 1.6784322812300707
Energy: 1.7616211260504089
Energy: 1.745480329753547
Energy: 1.7616211260484902
Energy: 1.9181787955414054
Energy: 1.8748832360306817
Energy: 2.3556530957438575
Energy: 1.8748832360306817
Energy: 12.308834747321523
Energy: 1.7092786743243351
Energy: 1.7140270621246494
Energy: 1.7092786743243351
Energy: 1.942514346475476
Energy: 1.76191171754592
Energy: 1.709667065710544
Energy: 1.761911717530214
Energy: 1.9273310575728804
Energy: 1.846710838796565
Energy: 2.356649500551037
Energy: 1.846710838796565
Energy: 1.942481362240793
Energy: 1.7102056349848007
Energy: 1.7090213263127885
Energy: 1.7102056349848007
Energy: 2.06698666473978
Energy: 1.7110813327499759
Energy: 1.7102362037403172
Energy: 1.7110813327499759
Energy: 1.7349159607255344
Energy: 1.7614870033714856
Energy: 2.307372642140063
Energy: 1.7614870033714856
Energy: 1.7597640950278741
Energy: 1.7099748307511748
Energy: 1.7455068793009556
Energy: 1.7099748307492115
Energy: 2.1574383137904096
Energy: 1.7460020359306345
Energy: 1.7488434611135049
Energy: 1.7460020359306345
Energy: 2.2648820987282305
Energy: 1.906787607760836
Energy: 12.426519244394674
Energy: 1.906787607760836
Energy: 2.3741107956503855
Energy: 2.053180384044448
Energy: 12.385574708849159
Energy: 2.053180384044448
Energy: 2.2863545216287893
Energy: 1.6970397768726602
Energy: 1.7452959554239231
Energy: 1.6970397768785053
Energy: 1.7602226519055906
Energy: 1.7097244702887733
Energy: 1.7490836756951023
Energy: 1.7097244702927

minimum gb energy = 1.6784322812300707 eV
minimum distance =  2.46079035936231 Angstroms
sigma value = 17


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

Energy: 2.1097218218475184
Energy: 2.086117187972628
Energy: 11.833510295248075
Energy: 2.086117187972628
Energy: 2.152641312897036
Energy: 1.8076744618688498
Energy: 1.8594097781070265
Energy: 1.8076744618688498
Energy: 2.0071657217927252
Energy: 1.7365701443944768
Energy: 1.6962820606604043
Energy: 1.7365701443944768
Energy: 1.7189362530602914
Energy: 1.7186625413591834
Energy: 1.8596880237039528
Energy: 1.7186625413602954
Energy: 1.7524742494409145
Energy: 1.7684955157654498
Energy: 2.091293802945624
Energy: 1.7684955157665616
Energy: 9.189768522064108
Energy: 1.8861373896607931
Energy: 1.7655953996958589
Energy: 1.8861373897219478
Energy: 2.0648605747737316
Energy: 1.7194222282565614
Energy: 2.050023586823275
Energy: 1.7194222282587854
Energy: 1.7706022467301612
Energy: 1.6993073107976322
Energy: 2.1829304285646884
Energy: 1.699307310798744
Energy: 1.7701446698073475
Energy: 1.748271982951694
Energy: 1.697118429907002
Energy: 1.748271982952806
Energy: 2.1830622462798033
Energy: 1.6761844277212885
Energy: 1.854346899714499
Energy: 1.676184427724624
Energy: 1.7446870993305739
Energy: 1.7409218578836623
Energy: 8.069037617481603
Energy: 1.7409218578825503
Energy: 1.7397137376717118
Energy: 1.7468344955834776
Energy: 1.959148019453661
Energy: 1.7468344955812536
Energy: 2.25671750563508
Energy: 1.7638183179994567
Energy: 1.8012605058006288
Energy: 1.7638183179994567
Energy: 1.754097953081004
Energy: 1.745214778540043
Energy: 1.9001587732257579
Energy: 1.7452147785422665
Energy: 1.738162511389155
Energy: 1.8563677113798824
Energy: 2.30579957842557
Energy: 1.856367711383218
Energy: 2.1882561718592286
Energy: 1.74946942474429
Energy: 1.693990585708426
Energy: 1.74946942474429
Energy: 1.7884675992621486
Energy: 1.8439894382742033
Energy: 1.7492086540871383
Energy: 1.8439894382753153
Energy: 1.7725178582527557
Energy: 1.788506392970498
Energy: 2.2694810147064657
Energy: 1.788506392970498
Energy: 8.154441561374968
Energy: 1.6745182263117526
Energy: 1.9164920140483288
Energy: 1.6745182263117526
Energy: 2.4038922402592657
Energy: 1.8425873932427645
Energy: 2.0585053690341897
Energy: 1.8425873932416525
Energy: 1.699424124940079
Energy: 1.7879885318999564
Energy: 2.1397701435050256
Energy: 1.7879885318999564
Energy: 1.6986450767005898
Energy: 1.8050221606096206
Energy: 1.7358897906860538
Energy: 1.8050221606107326
Energy: 2.1159202167601916
Energy: 1.7360942989644612
Energy: 1.7358924317911828
Energy: 1.7360942989644612
Energy: 2.1062017349009556
Energy: 1.7183831825554274
Energy: 8.374663920653795
Energy: 1.7183831825487559
Energy: 2.1197888712783017
Energy: 1.7166684246687007
Energy: 8.337554133659095
Energy: 1.7166684246609174
Energy: 2.1141872822060597
Energy: 1.7359994032005053
Energy: 1.7362133199579566
Energy: 1.7359994032005053
Energy: 1.6974754432708121
Energy: 1.7504405425536513
Energy: 1.7360684733637373
Energy: 1.7504405425281284
Energy: 1.6990808045842638
Energy: 1.6986657386344182
Energy: 2.1554360822117014
Energy: 1.6986657386344182
Energy: 2.1559476594989886
Energy: 1.8590468375046856
Energy: 2.064133638832779
Energy: 1.8590468375046856
Energy: 8.10047112789936
Energy: 1.674582029147516
Energy: 1.7642387737792953
Energy: 1.674582029146404

minimum gb energy = 1.6745182263117526 eV
minimum distance =  2.47317087536104 Angstroms
sigma value = 53


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

Energy: 1.5097413637531967
Energy: 1.5395744302281236
Energy: 14.57123818718618
Energy: 1.5395744302306835
Energy: 1.865502417823454
Energy: 1.5872957062526265
Energy: 1.8653494304158222
Energy: 1.5872957062526265
Energy: 2.537448345312202
Energy: 1.890140430294484
Energy: 2.149066509809035
Energy: 1.890140430294484
Energy: 2.1489917850314737
Energy: 1.8901959368059198
Energy: 2.537575802841118
Energy: 1.8901959368059198
Energy: 1.865366742160927
Energy: 1.5875023462844355
Energy: 1.8655958587260586
Energy: 1.5875023462844355
Energy: 4.467682716937943
Energy: 1.5395744302281236
Energy: 1.5097413637531967
Energy: 1.5395744302306835
Energy: 1.8653494304158222
Energy: 1.5872957062526265
Energy: 1.8655024178208943
Energy: 1.5872957062526265
Energy: 2.149066509809035
Energy: 1.890140430294484
Energy: 2.537448345312202
Energy: 1.890140430294484
Energy: 2.537575802841118
Energy: 1.8901959368059198
Energy: 2.1489917850314737
Energy: 1.8901959368059198
Energy: 1.8655958587260586
Energy: 1.5875023462844355
Energy: 1.865366742160927
Energy: 1.5875023462844355
Energy: 1.5097413637531967
Energy: 1.5395744302281236
Energy: 14.829702234705762
Energy: 1.5395744302281236
Energy: 1.865502417823454
Energy: 1.5872957062526265
Energy: 1.8653494304158222
Energy: 1.5872957062526265
Energy: 2.537448345312202
Energy: 1.890140430294484
Energy: 2.149066509809035
Energy: 1.890140430294484

minimum gb energy = 1.5097413637531967 eV
minimum distance =  2.45793623404453 Angstroms
sigma value = 9


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

Energy: 1.9950979705485352
Energy: 2.0080982614551925
Energy: 10.470144803472147
Energy: 2.0080982614570875
Energy: 2.2948973444426457
Energy: 2.012619137462874
Energy: 2.2210201309702344
Energy: 2.012619137464769
Energy: 1.8781734451858079
Energy: 1.769945357875625
Energy: 1.768716411667787
Energy: 1.76994535787373
Energy: 1.851789966283724
Energy: 1.7984144129256954
Energy: 1.986204216756338
Energy: 1.7984144129256954
Energy: 2.0074170246700054
Energy: 1.763516448670589
Energy: 2.248432741261789
Energy: 1.763516448670589
Energy: 8.12936479204388
Energy: 1.8982518115774887
Energy: 1.929793019692492
Energy: 1.8982518115774887
Energy: 1.9252786194844618
Energy: 1.8401395095478756
Energy: 2.377087565705069
Energy: 1.8401395095450335
Energy: 1.7626098781676907
Energy: 1.8294083448741993
Energy: 1.945301940750958
Energy: 1.8294083448741993
Energy: 2.0487630276110664
Energy: 1.7694500408788993
Energy: 1.8789957596312499
Energy: 1.7694500408798466
Energy: 1.9126078819686203
Energy: 1.7723384685402566
Energy: 2.0500168227988502
Energy: 1.772338468537414
Energy: 1.800573314853681
Energy: 1.8856990959696378
Energy: 7.6872330200790175
Energy: 1.8856990959686908
Energy: 2.427980067756997
Energy: 1.780481936720433
Energy: 1.878858974227307
Energy: 1.780481936695843
Energy: 1.9213762302608524
Energy: 1.837177906548481
Energy: 1.7897865537074513
Energy: 1.8371779065475338
Energy: 1.9627910538964273
Energy: 1.8583133992732819
Energy: 1.926282498281897
Energy: 1.8583133992713867
Energy: 2.01088490526001
Energy: 1.8343509419295432
Energy: 1.7833563840563975
Energy: 1.8343509419276482
Energy: 2.323937091335219
Energy: 1.8210254752591444
Energy: 1.796066084156183
Energy: 1.8210254752581967
Energy: 1.9162814094036178
Energy: 1.8880844484502648
Energy: 2.480403416610992
Energy: 1.8880844484502648
Energy: 1.8062780046702906
Energy: 1.8778063232641231
Energy: 7.269021785232379
Energy: 1.8778063232650706
Energy: 2.307043586363269
Energy: 1.8191957361667497
Energy: 1.9495575204102282
Energy: 1.8191957361676971
Energy: 1.7955375726200384
Energy: 1.8259536580726798
Energy: 1.8843468916665707
Energy: 1.8259536580717324
Energy: 1.8420742947715327
Energy: 1.8324198831350311
Energy: 2.2540094776340376
Energy: 1.8324198831274523
Energy: 2.384739470167667
Energy: 1.763980391782599
Energy: 1.9356002291584853
Energy: 1.7639803917816514
Energy: 7.412741188654884
Energy: 1.8926571678312323
Energy: 1.921675120223637
Energy: 1.8926571678302848
Energy: 1.8891338819215149
Energy: 1.8540137806752397
Energy: 2.3996775912633286
Energy: 1.8540137806742922
Energy: 1.8657411473908228
Energy: 1.8322059435220395
Energy: 1.7702898375953628
Energy: 1.8322059435362508
Energy: 2.3052345162620393
Energy: 1.9290622169808986
Energy: 1.8585668415467735
Energy: 1.9290622169837408
Energy: 2.0900592596059306
Energy: 1.7784429974773595
Energy: 7.675264281935461
Energy: 1.7784429974764122
Energy: 1.9541012905820283
Energy: 1.7813074747762683
Energy: 7.622292431248225
Energy: 1.7813074747753208
Energy: 2.271832524559117
Energy: 1.928563171787966
Energy: 1.8536162065553712
Energy: 1.9285631717822818
Energy: 1.851854745836763
Energy: 1.8643150850528991
Energy: 1.769620782492196
Energy: 1.8643150850538466
Energy: 1.8865348011936114
Energy: 1.876180791542169
Energy: 2.2683270269641906
Energy: 1.876180791542169
Energy: 7.428733607574633
Energy: 1.7684326796051502
Energy: 1.9246759923201895
Energy: 1.7684326796051502
Energy: 2.4803698681876143
Energy: 1.7633139106116378
Energy: 1.9291444864854068
Energy: 1.7633139098559008
Energy: 1.8423241064621836
Energy: 1.898959757277561
Energy: 2.5231316072008148
Energy: 1.898959757277561
Energy: 1.8151370139278913
Energy: 1.8282441406796108
Energy: 1.8760851146688313
Energy: 1.8282441406796108

minimum gb energy = 1.7626098781676907 eV
minimum distance =  2.42439096386954 Angstroms
sigma value = 73


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

Energy: 2.1076315485922605
Energy: 1.9760396025674722
Energy: 7.084631553944514
Energy: 1.9760396025674722
Energy: 2.1963106664167755
Energy: 1.9074825793358967
Energy: 2.198347246099129
Energy: 1.9074825793343937
Energy: 1.977316823842112
Energy: 1.8832277916402531
Energy: 1.8082708393091251
Energy: 1.8832277916402531
Energy: 1.8587207089960367
Energy: 1.8222141422705147
Energy: 2.12845171828224
Energy: 1.8222141422705147
Energy: 2.200067471535977
Energy: 1.8180674380327773
Energy: 2.0089794005416546
Energy: 1.8180674380342805
Energy: 10.214073068656988
Energy: 1.942949293913222
Energy: 1.843145877400189
Energy: 1.942949293913222
Energy: 1.9488321550031293
Energy: 1.8716387788041193
Energy: 2.232382551466021
Energy: 1.8716387788041193
Energy: 1.8253270048361985
Energy: 1.8228963600536847
Energy: 1.9875626836266067
Energy: 1.822896350640594
Energy: 2.2968551624989284
Energy: 1.8840414033009572
Energy: 2.1205094808928386
Energy: 1.8840414032994541
Energy: 1.8191325759776733
Energy: 1.912010734522833
Energy: 2.0882653749790547
Energy: 1.91201073452133
Energy: 1.8176893819830668
Energy: 1.8258102406045005
Energy: 2.758458996071943
Energy: 1.8258102406045005
Energy: 2.3684039328666695
Energy: 1.949984871762108
Energy: 2.0092177825154756
Energy: 1.949984871762108
Energy: 9.920677906863594
Energy: 1.9431963452834171
Energy: 1.843149104448094
Energy: 1.9431963452834171
Energy: 1.988180716943825
Energy: 1.879960343131763
Energy: 2.496659196748114
Energy: 1.879960343131763
Energy: 1.85744589167989
Energy: 1.8238121285339286
Energy: 1.8308659923084032
Energy: 1.8238121285354316
Energy: 2.2979246153789377
Energy: 1.9650698328981457
Energy: 1.8930899374275447
Energy: 1.9650698328996488
Energy: 2.023302096381227
Energy: 1.9736503227347935
Energy: 10.278812369755578
Energy: 1.9736503227347935
Energy: 2.022134012357632
Energy: 1.955516829095971
Energy: 10.466583411975385
Energy: 1.9555168290944678
Energy: 2.374460219024041
Energy: 1.9630824765135326
Energy: 1.9727694623933651
Energy: 1.9630824765135326
Energy: 1.8563996393976352
Energy: 1.9287877785633718
Energy: 1.8084596565404016
Energy: 1.9287877785633718
Energy: 1.9775392057566334
Energy: 1.918790350169064
Energy: 2.5580618652493237
Energy: 1.918790350167595
Energy: 9.895882974969314
Energy: 1.930965703206993
Energy: 1.8389178634490249
Energy: 1.9309657032054899

minimum gb energy = 1.8082708393091251 eV
minimum distance =  2.43095121901483 Angstroms
sigma value = 7


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

Energy: 2.2336879221644947
Energy: 2.012084106603262
Energy: 8.499439791074813
Energy: 2.012084106603262
Energy: 2.256798876698551
Energy: 1.9766251526142111
Energy: 1.9513455325423936
Energy: 1.9766251526131484
Energy: 1.9472063605145578
Energy: 1.8925590704849353
Energy: 1.8943560148775798
Energy: 1.8925590704859985
Energy: 1.9511156983654332
Energy: 1.8479087889313892
Energy: 1.9558213997601075
Energy: 1.8479087889303263
Energy: 2.086791282827579
Energy: 1.8907201840063321
Energy: 1.843210716167943
Energy: 1.8907201840073953
Energy: 13.079261423781787
Energy: 1.8474476960773154
Energy: 1.8533961256099611
Energy: 1.84744769607519
Energy: 1.9107138011650229
Energy: 1.9498668806018435
Energy: 2.309587719388356
Energy: 1.9498668806018435
Energy: 1.8529242025662174
Energy: 1.8472519804607277
Energy: 13.211436058550062
Energy: 1.8472519804607277
Energy: 2.3183707337221193
Energy: 1.9992106094786495
Energy: 1.949963133149457
Energy: 1.9992106094786495
Energy: 1.8871590195485608
Energy: 1.8467186094151007
Energy: 1.950812429027499
Energy: 1.8467186094140378
Energy: 1.8935418204339474
Energy: 1.980206006336668
Energy: 2.1044752729364764
Energy: 1.980206006336668
Energy: 13.588646564965515
Energy: 1.9825920033484459
Energy: 2.0915605805959836
Energy: 1.982592003347383
Energy: 13.624835340114528
Energy: 1.9689967161171857
Energy: 2.0991597919209335
Energy: 1.9689967161171857
Energy: 1.8885727125081475
Energy: 1.9794386746789814
Energy: 2.4368247910806327
Energy: 1.9794386746789814
Energy: 1.8929569822405579
Energy: 1.965850219890134
Energy: 1.9459491420813861
Energy: 1.9658502198911971
Energy: 2.3955737709509477
Energy: 2.1313967043251187
Energy: 1.945675295644228
Energy: 2.1313967043251187
Energy: 1.8457545197405865
Energy: 1.8430435858043164
Energy: 2.085601943331476
Energy: 1.843043585805379
Energy: 1.8411116233078437
Energy: 2.021159965172476
Energy: 2.3055244544651083
Energy: 2.021159965171413
Energy: 2.682839848907991
Energy: 1.8451311657763756
Energy: 1.8447427952589728
Energy: 1.8451311657763756
Energy: 2.0897315063908746
Energy: 1.8925273544964702
Energy: 1.841637765664316
Energy: 1.8925273544954073
Energy: 1.946340395313781
Energy: 2.004022649909439
Energy: 1.9480748476883232
Energy: 2.004022649909439
Energy: 1.9465469323274243
Energy: 1.8938021556644589
Energy: 1.904445702576187
Energy: 1.8938021556644589
Energy: 2.2559546689470644
Energy: 1.912689086149644
Energy: 1.9458569974304238
Energy: 1.9126890860890595
Energy: 2.0927047579446496
Energy: 2.0181595667670966
Energy: 13.352796554723467
Energy: 2.0181595667681598
Energy: 2.098120092506347
Energy: 1.9782519028782648
Energy: 1.9469289997802657
Energy: 1.9782519028782648
Energy: 2.1108506800817466
Energy: 1.8965585294558303
Energy: 1.8868134705635748
Energy: 1.8965585294813396
Energy: 1.9460739744159994
Energy: 1.846175869971799
Energy: 1.8874906240195912
Energy: 1.846175869972862
Energy: 2.0914600916333588
Energy: 1.8890761955602462
Energy: 2.315368164736332
Energy: 1.8890761955602462
Energy: 13.207231686955328
Energy: 1.8460417147482688
Energy: 1.8470856310935906
Energy: 1.8460417147482688
Energy: 2.307434725411969
Energy: 1.9978133217417855
Energy: 2.3068988972136193
Energy: 1.9978133217417855
Energy: 1.8469700565577516
Energy: 1.8456438554027987
Energy: 13.198498755768627
Energy: 1.8456438554027987

minimum gb energy = 1.8411116233078437 eV
minimum distance =  2.43200816801764 Angstroms
sigma value = 29


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

Energy: 1.793597104270241
Energy: 2.0938869700865768
Energy: 11.133490739872236
Energy: 2.0938869700869467
Energy: 2.18424623577834
Energy: 1.8401286941677724
Energy: 1.8552322789261813
Energy: 1.8401286941681427
Energy: 2.3464412100512226
Energy: 1.8144468680227464
Energy: 1.8139802903295204
Energy: 1.8144468680227464
Energy: 2.406220071723084
Energy: 1.8541450255893615
Energy: 1.811344072457128
Energy: 1.8541450255897318
Energy: 2.5618514886476027
Energy: 1.8139074507636486
Energy: 1.8101437643951037
Energy: 1.8139074507654587
Energy: 2.2968657877600185
Energy: 1.811261881783397
Energy: 1.8102675582010552
Energy: 1.811261881783397
Energy: 1.978969683383349
Energy: 1.8101553996791617
Energy: 2.531308327517008
Energy: 1.810155399678462
Energy: 1.7931144637203327
Energy: 1.8144971286689955
Energy: 18.932963286278156
Energy: 1.8144971286682963
Energy: 2.3395769720151653
Energy: 2.013553766065374
Energy: 2.0033348920994434
Energy: 2.013553766070434

minimum gb energy = 1.7931144637203327 eV
minimum distance =  2.47409376665111 Angstroms
sigma value = 5


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

Energy: 2.135543291297554
Energy: 1.9934811809880892
Energy: 10.337398539565328
Energy: 1.993481180989093
Energy: 2.289262019671835
Energy: 1.9544966793253498
Energy: 2.009267221168079
Energy: 1.9544966793243455
Energy: 2.060538086259573
Energy: 1.981714514340664
Energy: 1.9708936122373604
Energy: 1.9817145143416226
Energy: 2.0540887504249903
Energy: 2.1214878189339132
Energy: 2.099209989709722
Energy: 2.1214878189349173
Energy: 1.9684138635940729
Energy: 1.9709950450785703
Energy: 1.9395198695569407
Energy: 1.9709950450785703
Energy: 2.194716969440468
Energy: 1.9791174949644739
Energy: 1.946159464839214
Energy: 1.979117494965478
Energy: 2.0424314004196553
Energy: 1.97394850517284
Energy: 2.1866435650636915
Energy: 1.97394850517284
Energy: 2.0463408082050556
Energy: 1.9720007917805686
Energy: 2.3508484553192073
Energy: 1.9720007917805686
Energy: 2.441082943574725
Energy: 1.9766355779038889
Energy: 2.054127537183448
Energy: 1.976635577904893
Energy: 7.664610247111725
Energy: 1.9732287637043946
Energy: 2.0582110902157087
Energy: 1.9732287637023866
Energy: 1.9468824366486162
Energy: 1.948962855633843
Energy: 2.261751541958866
Energy: 1.948962855633843
Energy: 1.948200195453254
Energy: 1.9489965011645323
Energy: 2.005738587648517
Energy: 1.9489965011645323
Energy: 2.153042196376914
Energy: 2.2365118793518715
Energy: 2.0047010249259136
Energy: 2.2365118793498633
Energy: 1.9456438454640168
Energy: 1.9571942197060517
Energy: 1.9946168962735695
Energy: 1.9571942197070558
Energy: 1.9703484256357546
Energy: 2.2147041961046785
Energy: 2.1853268135827215
Energy: 2.214704196103675
Energy: 8.111616597797996
Energy: 1.971367018193988
Energy: 2.1389208874289776
Energy: 1.971367018193988
Energy: 2.2872730186280306
Energy: 1.9366521152853817
Energy: 2.225718167654455
Energy: 1.9366521152873897
Energy: 1.985171180210961
Energy: 1.9700030221334563
Energy: 7.796442350333445
Energy: 1.9700030221344604
Energy: 2.0800884870189846
Energy: 1.962546679244371
Energy: 2.046891366150074
Energy: 1.962546679243367
Energy: 1.9717339722547524
Energy: 1.9500175121767604
Energy: 1.9616867906190547
Energy: 1.9500175121747523
Energy: 1.969495321225983
Energy: 1.9968380425071102
Energy: 2.1403845969195405
Energy: 1.9968380425071102
Energy: 2.136704839404995
Energy: 1.9703959818051695
Energy: 1.9413074760730393
Energy: 1.9703959818041654
Energy: 2.0558185827086386
Energy: 1.9764303367343878
Energy: 1.9429704712254554
Energy: 1.9764303367333833
Energy: 2.2111095660333597
Energy: 1.990683534548584
Energy: 8.059210303951254
Energy: 1.9906835345475797
Energy: 2.2359937832397776
Energy: 1.9818416553603546
Energy: 7.945950605413014
Energy: 1.9818416553583464
Energy: 2.1592700453229683
Energy: 2.000312544898587
Energy: 1.9417920195815075
Energy: 2.0003125448995913
Energy: 2.0445362687948596
Energy: 1.9763041324432984
Energy: 1.942886079393974
Energy: 1.9763041324422945
Energy: 2.0116118998029724
Energy: 2.110558205781401
Energy: 2.212807939040262
Energy: 2.1105582057834096
Energy: 1.9770997738433187
Energy: 1.9754203008271836
Energy: 1.9552230800784334
Energy: 1.9754203008271836
Energy: 2.1510276663698056
Energy: 2.2662327096007373
Energy: 2.033350839891113
Energy: 2.2662327096007373
Energy: 2.0423433713509365
Energy: 1.971844844237053
Energy: 7.3504625811168625
Energy: 1.971844844237053
Energy: 2.0986921168491905
Energy: 1.943993276614233
Energy: 2.2487239508446786
Energy: 1.9439932766162409
Energy: 7.861561020970175
Energy: 1.9713815014374405
Energy: 2.0550724341547144
Energy: 1.9713815014374405

minimum gb energy = 1.9366521152853817 eV
minimum distance =  2.45212512253565 Angstroms
sigma value = 1


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

Energy: 1.9319815401664666
Energy: 1.8466660895249556
Energy: 9.217427316745244
Energy: 1.8466660895249556
Energy: 1.9788581108914822
Energy: 1.957939885554805
Energy: 1.9524213631308733
Energy: 1.957939885554805
Energy: 2.2123228812864006
Energy: 1.8755990407689
Energy: 1.9778581931950536
Energy: 1.8755990407689
Energy: 1.952719894754532
Energy: 1.8774724568397088
Energy: 1.9988854116090216
Energy: 1.8774724568397088
Energy: 1.9395827975696673
Energy: 1.8855789983352094
Energy: 1.9258488356695285
Energy: 1.8855789983352094
Energy: 1.9338707099511248
Energy: 2.114883830787191
Energy: 1.925837852374376
Energy: 2.114883830787191
Energy: 1.926915802352627
Energy: 1.8753027738649812
Energy: 2.220859588747056
Energy: 1.8753027738649812
Energy: 1.9270001209950687
Energy: 1.9045921765134195
Energy: 2.2150168720775807
Energy: 1.9045921765134195
Energy: 15.779919081689446
Energy: 1.881602693365493
Energy: 1.8943240287442464
Energy: 1.881602693365493
Energy: 15.588607230760193
Energy: 1.8817227905011222
Energy: 1.894340980600392
Energy: 1.8817227905011222
Energy: 1.9268845783566215
Energy: 1.9047727585202132
Energy: 2.215016872078969
Energy: 1.9047727585188248
Energy: 1.9268323760516215
Energy: 1.8753231460621267
Energy: 2.220859588748444
Energy: 1.8753231460621267
Energy: 1.9339526022509124
Energy: 2.1150346718985857
Energy: 1.9259156649242943
Energy: 2.1150346718985857
Energy: 1.939563405657031
Energy: 1.8459958032039108
Energy: 1.92603005443229
Energy: 1.8459958032025228
Energy: 1.9528943986909042
Energy: 1.8775033236682697
Energy: 1.9988424201398676
Energy: 1.8775033236682697
Energy: 2.2123228812850124
Energy: 1.8756063346249474
Energy: 1.9775756911218425
Energy: 1.8756063346249474
Energy: 1.9786924257845575
Energy: 1.9573606354459012
Energy: 1.9524498716433827
Energy: 1.9573606354472894
Energy: 1.9319815401664666
Energy: 1.8466660895249556
Energy: 9.201817675271473
Energy: 1.8466660895249556
Energy: 1.9788581108914822
Energy: 1.957939885554805
Energy: 1.9524213631308733
Energy: 1.9579398855534167
Energy: 2.2123228812864006
Energy: 1.8755990407689
Energy: 1.9778581931950536
Energy: 1.8755990407689
Energy: 1.952719894754532
Energy: 1.8774724568397088
Energy: 1.9988854116090216
Energy: 1.8774724568397088
Energy: 1.9395827975710553
Energy: 1.8855789983352094
Energy: 1.9258488356709167
Energy: 1.8855789983352094
Energy: 1.9338707099511248
Energy: 2.114883830787191
Energy: 1.925837852374376
Energy: 2.114883830787191
Energy: 1.926915802351239
Energy: 1.8753027738649812
Energy: 2.220859588747056
Energy: 1.8753027738649812

minimum gb energy = 1.8459958032025228 eV
minimum distance =  2.46639062839303 Angstroms
sigma value = 17


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

Energy: 2.183853519077082
Energy: 1.9431384564720888
Energy: 9.232786652838572
Energy: 1.9431384564703729
Energy: 2.216459182640402
Energy: 2.1376054061941763
Energy: 2.0927961464876685
Energy: 2.137605406193318
Energy: 6.979659166338025
Energy: 1.8792479060957938
Energy: 1.9345250569665018
Energy: 1.8792479060940779
Energy: 1.9408356520831875
Energy: 2.1801882915836615
Energy: 2.0703451995610407
Energy: 2.180188291580229
Energy: 1.9427582318459786
Energy: 1.8652385891316186
Energy: 1.920547443333705
Energy: 1.865238589132477
Energy: 2.081301501729751
Energy: 2.007805266690214
Energy: 1.9241344398368707
Energy: 2.007805266690214
Energy: 1.9042553704129765
Energy: 1.872191881345797
Energy: 1.9539223350245571
Energy: 1.872191881346655
Energy: 1.9057513179251626
Energy: 1.8708769487939425
Energy: 2.087223199525876
Energy: 1.8708769487930845
Energy: 7.08664605600248
Energy: 1.8790605977389563
Energy: 2.136814959451984
Energy: 1.8790605977355241
Energy: 7.302448678777721
Energy: 1.8851932475920217
Energy: 2.1353409233182163
Energy: 1.8851932475920217
Energy: 1.998154531732467
Energy: 1.8791659019258908
Energy: 2.0882203682873115
Energy: 1.879165901929323
Energy: 1.9973139575981709
Energy: 1.8797644387811743
Energy: 2.020154251606639
Energy: 1.8797644387820325
Energy: 2.124422954587407
Energy: 1.8900493557825897
Energy: 1.9115931554624992
Energy: 1.8900493557843059
Energy: 1.9413953419296819
Energy: 1.8654209124958887
Energy: 1.9123635632876925
Energy: 1.8654209124950303
Energy: 1.93715415564795
Energy: 1.903059807560129
Energy: 2.0122466502961003
Energy: 1.903059807558413
Energy: 1.9400430920876417
Energy: 1.8712725681246507
Energy: 1.9095717532865286
Energy: 1.8712725681237927
Energy: 2.109087515974056
Energy: 1.8974200090636317
Energy: 2.0290302120983665
Energy: 1.8974200090653477
Energy: 2.006157153673703
Energy: 1.887837896118756
Energy: 7.080442072366753
Energy: 1.887837896120472
Energy: 2.031347076918419
Energy: 1.9645970025855695
Energy: 2.1330976433669573
Energy: 1.9645970025864274
Energy: 10.941048549829715
Energy: 1.920921109754218
Energy: 2.0269390679067048
Energy: 1.9209211097516439
Energy: 2.080174854559346
Energy: 2.189104352002741
Energy: 2.192281673360692
Energy: 2.189104352001883
Energy: 1.9294794080931454
Energy: 1.8652449152676462
Energy: 1.97059605179
Energy: 1.86524491526593
Energy: 2.0539810059624064
Energy: 2.1147044518000584
Energy: 1.9817736344004089
Energy: 2.1147044518000584
Energy: 1.899094601473131
Energy: 1.8730537845630049
Energy: 1.9140940536674276
Energy: 1.8730537845647206
Energy: 1.9072496335087004
Energy: 1.9693206243311445
Energy: 2.146682121167808
Energy: 1.9693206243294286
Energy: 1.996650832425983
Energy: 1.870898102236972
Energy: 1.9127310231065557
Energy: 1.8708981022352558
Energy: 2.064687990717274
Energy: 1.8657030034067952
Energy: 1.9921345416700533
Energy: 1.8657030034076534
Energy: 2.1536275938145586
Energy: 1.8862153726462136
Energy: 10.595003331770355
Energy: 1.8862153726470718
Energy: 2.1498778758243744
Energy: 1.8928710149637353
Energy: 7.044159390469013
Energy: 1.892871014962019
Energy: 2.151530364162344
Energy: 1.8708146603392988
Energy: 1.9127877424583715
Energy: 1.8708146603392988
Energy: 2.047494086629365
Energy: 1.866469096624878
Energy: 1.9918138778084935
Energy: 1.8664690966265938
Energy: 1.8988671987463868
Energy: 1.9002684613876508
Energy: 2.004146713781133
Energy: 1.9002684613867928
Energy: 1.9062472186858013
Energy: 1.8728694345011572
Energy: 1.9099438610550248
Energy: 1.872869434502015
Energy: 2.0367984161484314
Energy: 1.8804798394502111
Energy: 1.9672812479693016
Energy: 1.8804798394519273
Energy: 1.9177181639066783
Energy: 1.86758487484898
Energy: 1.9848932285474936
Energy: 1.867584874847264
Energy: 2.094863388669008
Energy: 1.8880334653416104
Energy: 2.1080446884562964
Energy: 1.8880334653407524
Energy: 7.051576645584595
Energy: 1.8776710876341596
Energy: 2.033829710517222
Energy: 1.8776710876333016
Energy: 2.1006899056807664
Energy: 1.9659234135524943
Energy: 2.116710889494599
Energy: 1.965923413551636

minimum gb energy = 1.8652385891316186 eV
minimum distance =  2.46422406494307 Angstroms
sigma value = 89


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

Energy: 2.020146125435572
Energy: 1.7571493073703728
Energy: 7.867154458351388
Energy: 1.7571493073703728
Energy: 1.9055086749084889
Energy: 2.002487290493066
Energy: 1.9369075451798723
Energy: 2.002487290493066
Energy: 13.14372025420941
Energy: 1.7345100584514803
Energy: 1.7915452148921018
Energy: 1.7345100584514803
Energy: 1.8357645564281517
Energy: 1.7652595530199275
Energy: 2.0145246192323234
Energy: 1.7652595530199275
Energy: 1.831648250175186
Energy: 1.7653761970538584
Energy: 1.881620025065174
Energy: 1.7653761970538584
Energy: 1.9314294320060217
Energy: 2.1417914393834585
Energy: 1.8807823322587667
Energy: 2.141791439381213
Energy: 1.8017416110887037
Energy: 1.7355524072530781
Energy: 1.8825760686971236
Energy: 1.7355524072530781
Energy: 1.8017422075017075
Energy: 1.7903955966303
Energy: 2.240537115904814
Energy: 1.7903955966303
Energy: 2.1087851734514826
Energy: 1.7660219725066537
Energy: 1.7683629353093941
Energy: 1.7660219725066537
Energy: 2.047595822423859
Energy: 1.7665172872503097
Energy: 1.7687503260943078
Energy: 1.7665172872503097
Energy: 1.9710507504515096
Energy: 1.7352989386435127
Energy: 13.087922573863889
Energy: 1.7352989386435127
Energy: 1.9663543238093855
Energy: 1.7352757539392885
Energy: 13.218112283321497
Energy: 1.7352757539392885
Energy: 13.49866777860932
Energy: 1.7659948188930032
Energy: 1.768462792639211
Energy: 1.7659948188930032
Energy: 2.1112570620336313
Energy: 1.7656050432863444
Energy: 1.769173856581062
Energy: 1.7656050432863444
Energy: 1.8028481611371605
Energy: 1.7655517247569648
Energy: 2.232035146697012
Energy: 1.7655517247569648

minimum gb energy = 1.7345100584514803 eV
minimum distance =  2.47052913342632 Angstroms
sigma value = 13


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

Energy: 1.8418182398875176
Energy: 1.694317693034382
Energy: 7.1520139741953646
Energy: 1.694317693034382
Energy: 1.8582723266060295
Energy: 1.680354777846205
Energy: 1.866828681660252
Energy: 1.680354777846205
Energy: 11.890966049349982
Energy: 1.6194491235615742
Energy: 1.7905629453614929
Energy: 1.6194491235606332
Energy: 1.8480840997918493
Energy: 1.7862207647328094
Energy: 1.8666877855066983
Energy: 1.7862207647328094
Energy: 1.7647095086823397
Energy: 1.635093038398347
Energy: 1.8363289528252176
Energy: 1.635093038398347
Energy: 1.866751812402592
Energy: 1.6363451786478271
Energy: 1.8043916100985289
Energy: 1.6363451786478271
Energy: 1.780150900982958
Energy: 1.6214389986042546
Energy: 1.790804208509995
Energy: 1.6214389986051956
Energy: 1.7651173925640016
Energy: 1.8496984923049478
Energy: 1.9047528095395936
Energy: 1.8496984923049478
Energy: 1.8245491287388134
Energy: 1.6365910799732348
Energy: 1.7560115789442663
Energy: 1.636591079972294
Energy: 1.9850503875581205
Energy: 1.6381509598433273
Energy: 1.7874805254541248
Energy: 1.6381509598433273
Energy: 1.7624700895948069
Energy: 1.6220858580769852
Energy: 11.745224823191103
Energy: 1.622085858077926
Energy: 1.7648935509191985
Energy: 1.621634156326376
Energy: 2.0386422369754023
Energy: 1.621634156326376
Energy: 12.10136404919739
Energy: 1.6795216567573164
Energy: 1.8147487958773771
Energy: 1.6795216567573164
Energy: 1.8757364932714602
Energy: 1.6799642910422794
Energy: 1.9591943916501628
Energy: 1.6799642910413384
Energy: 1.7625124952297246
Energy: 1.6220299472034712
Energy: 12.147336668379054
Energy: 1.6220299472034712
Energy: 1.7652078132472055
Energy: 1.6211990919226222
Energy: 1.948596577947825
Energy: 1.6211990919226222
Energy: 1.8626342713194914
Energy: 1.6381953879029285
Energy: 1.756194444583127
Energy: 1.6381953879029285
Energy: 1.838186032028465
Energy: 1.6357869090493367
Energy: 1.7854360681348014
Energy: 1.6357869090502777
Energy: 1.766371897396996
Energy: 1.6223293995489956
Energy: 1.7653944981607594
Energy: 1.6223293995489956
Energy: 1.7657673446812263
Energy: 1.6229054788192028
Energy: 1.7664406061811613
Energy: 1.6229054788201438
Energy: 1.7858228523140194
Energy: 1.6359287540997858
Energy: 1.8379791023661027
Energy: 1.6359287540997858
Energy: 1.75618876914158
Energy: 1.6381893401476908
Energy: 1.8626342713185504
Energy: 1.6381893401467498
Energy: 1.948596577947825
Energy: 1.6215341764176023
Energy: 1.7647989195229468
Energy: 1.6215341764176023
Energy: 12.008162168258067
Energy: 1.622001304736467
Energy: 1.7625598138182401
Energy: 1.622001304736467
Energy: 1.9598469352412118
Energy: 1.67996575372292
Energy: 1.8757644974346925
Energy: 1.679965753723861
Energy: 1.8145246494755345
Energy: 1.6792995134165665
Energy: 11.857844334081937
Energy: 1.6792995134165665
Energy: 2.0386860434801006
Energy: 1.6216097499089657
Energy: 1.764880893386622
Energy: 1.6216097499080246
Energy: 11.900699554237354
Energy: 1.6219576310683368
Energy: 1.7623123524560347
Energy: 1.6219576310692778
Energy: 1.7874945989987763
Energy: 1.6375572259806592
Energy: 1.9848912664554976
Energy: 1.6375572259816
Energy: 1.755694781591045
Energy: 1.6373492112402006
Energy: 1.824548719607217
Energy: 1.6373492112402006
Energy: 1.9050471463399694
Energy: 1.8499726094221827
Energy: 1.7651271131700186
Energy: 1.8499726094231237
Energy: 1.7922812478917214
Energy: 1.62140387270555
Energy: 1.7801110370880122
Energy: 1.62140387270555
Energy: 1.8049974063257797
Energy: 1.6364928763931599
Energy: 1.8667682131965466
Energy: 1.6364928763922189
Energy: 1.8367405785660058
Energy: 1.6355996008340117
Energy: 1.7646105240868835
Energy: 1.635599600834953
Energy: 1.8667149626952362
Energy: 1.7857902765076725
Energy: 1.8486110642949294
Energy: 1.7857902765076725

minimum gb energy = 1.6194491235606332 eV
minimum distance =  2.45116507339743 Angstroms
sigma value = 37


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

Energy: 1.8711597400036466
Energy: 1.591442248940743
Energy: 6.154014019660445
Energy: 1.591442248940743
Energy: 1.9571590097241685
Energy: 1.6215219112515424
Energy: 1.7729848266008854
Energy: 1.6215219112515424
Energy: 10.174728131437698
Energy: 1.5212675652639338
Energy: 1.7712189430582532
Energy: 1.5212675652639338
Energy: 1.8129759794336975
Energy: 1.7222307585928307
Energy: 1.772371762203546
Energy: 1.7222307585912118
Energy: 1.6903525689106296
Energy: 1.5129174301851356
Energy: 1.8512608803802797
Energy: 1.5129174301835164
Energy: 1.8131647352173155
Energy: 1.5441942667582367
Energy: 1.7798528141950025
Energy: 1.5441942667582367
Energy: 1.7160522330275376
Energy: 1.5211275529452306
Energy: 1.6878089238433953
Energy: 1.5211275529436117
Energy: 1.7920002245093423
Energy: 1.654767342041812
Energy: 1.771319900666618
Energy: 1.654767342041812
Energy: 1.7192059232291643
Energy: 1.5134379234731277
Energy: 1.6779456473135124
Energy: 1.5134379234731277
Energy: 1.8083678958027556
Energy: 1.541933460864497
Energy: 1.6772782711339385
Energy: 1.541933460864497
Energy: 1.6466469691008798
Energy: 1.5207387564214283
Energy: 1.7984883802862286
Energy: 1.5207387564198096
Energy: 1.6609044175937504
Energy: 1.541652690623995
Energy: 1.9526080637988121
Energy: 1.541652690623995
Energy: 10.227814179237523
Energy: 1.5127343007290646
Energy: 1.7501311180911963
Energy: 1.5127343007290646
Energy: 1.7820727192677095
Energy: 1.5144497383846274
Energy: 1.7833725947543584
Energy: 1.5144497383830087
Energy: 1.8047012938238671
Energy: 1.5834964564539256
Energy: 10.166102977534926
Energy: 1.5834964564539256
Energy: 1.822118414056542
Energy: 1.6088680500863741
Energy: 1.813828502095976
Energy: 1.6088680500863741
Energy: 10.176794902461088
Energy: 1.5128361278808276
Energy: 1.7495730778603247
Energy: 1.5128361278808276
Energy: 1.774160436621624
Energy: 1.5145382282483153
Energy: 1.7834642193576287
Energy: 1.5145382282483153
Energy: 1.6472453861692573
Energy: 1.5199235583284734
Energy: 1.8505993334652928
Energy: 1.5199235583284734
Energy: 1.6454772599187446
Energy: 1.5428063465320794
Energy: 1.8684106164969962
Energy: 1.5428063465320794

minimum gb energy = 1.5127343007290646 eV
minimum distance =  2.49379724158212 Angstroms
sigma value = 25


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

Energy: 1.777765514778155
Energy: 1.4462653955800575
Energy: 10.189738110920064
Energy: 1.4462653955800575
Energy: 1.727437921185732
Energy: 1.5955118808972315
Energy: 1.7098607943354869
Energy: 1.5955118808959672
Energy: 8.420365015779966
Energy: 1.3869919029575
Energy: 1.7134167430411769
Energy: 1.386991902958764
Energy: 1.6123786227284411
Energy: 1.4081614302537042
Energy: 1.7037856592033171
Energy: 1.4081614302537042
Energy: 1.6330699290637987
Energy: 1.3545109208568187
Energy: 8.511863753631916
Energy: 1.3545109208568187
Energy: 1.6118552802083224
Energy: 1.3820069444575753
Energy: 1.6363901767766886
Energy: 1.3820069444575753
Energy: 1.5957391704821386
Energy: 1.3525058570756028
Energy: 1.6104151883365476
Energy: 1.3525058570756028
Energy: 1.6275090125894138
Energy: 1.3640562299899939
Energy: 1.6624964082288063
Energy: 1.3640562299899939
Energy: 1.5619908679942864
Energy: 1.3551962438630774
Energy: 1.5811184943368806
Energy: 1.3551962438643415
Energy: 1.6422183865916056
Energy: 1.4246136738825805
Energy: 1.6087793850980363
Energy: 1.4246136738838444
Energy: 1.5607541063581005
Energy: 1.3518674824801615
Energy: 1.5824610550131422
Energy: 1.3518674824801615
Energy: 1.574808033529927
Energy: 1.364536430658449
Energy: 1.659334092868145
Energy: 1.364536430658449
Energy: 1.5950522573234773
Energy: 1.3538472326551223
Energy: 1.5563676257144934
Energy: 1.3538472326538582
Energy: 1.7376283325078972
Energy: 1.3675298050723688
Energy: 1.5470223290625411
Energy: 1.3675298050748972
Energy: 1.5820452286457791
Energy: 1.3515128238769107
Energy: 1.6647846376158342
Energy: 1.3515128238769107
Energy: 1.611768546320244
Energy: 1.3537579947836977
Energy: 1.7033267143218278
Energy: 1.3537579947824334
Energy: 8.530437596062258
Energy: 1.3843648809596745
Energy: 1.6430748351157405
Energy: 1.3843648809596745
Energy: 1.6648584048384254
Energy: 1.4745687920257262
Energy: 1.6338763137944532
Energy: 1.4745687920244621
Energy: 1.7108952196594989
Energy: 1.438984828673857
Energy: 8.367311143323224
Energy: 1.438984828673857
Energy: 1.724372614780299
Energy: 1.4439109027587866
Energy: 1.7042950340557885
Energy: 1.4439109027587866
Energy: 8.471076213218813
Energy: 1.3842524705729373
Energy: 1.6431743604908455
Energy: 1.3842524705741437
Energy: 1.7296156269586533
Energy: 1.4137535082236692
Energy: 1.633444698123579
Energy: 1.4137535082236692
Energy: 1.5823695667678206
Energy: 1.3514368219025263
Energy: 8.530390167574469
Energy: 1.3514368219012622
Energy: 1.64423896789354
Energy: 1.3525198976025177
Energy: 1.6314054751451095
Energy: 1.3525198976025177
Energy: 1.5923148971547822
Energy: 1.3539363994679383
Energy: 1.556344072172509
Energy: 1.3539363994666738
Energy: 1.6636312668194977
Energy: 1.3660141982026408
Energy: 1.6083378612379884
Energy: 1.3660141982026408

minimum gb energy = 1.3514368219012622 eV
minimum distance =  2.50171749716138 Angstroms
sigma value = 41


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

Energy: 1.7419627248514988
Energy: 1.3307545185672336
Energy: 9.194101299660518
Energy: 1.3307545185651604
Energy: 1.5940782422166966
Energy: 1.3600892921110943
Energy: 1.5697664641733493
Energy: 1.3600892921121308
Energy: 7.445783702183535
Energy: 1.289709338222691
Energy: 1.6404416974751506
Energy: 1.2897093382195814
Energy: 1.5598370457680508
Energy: 1.523743623503209
Energy: 1.5696163581649158
Energy: 1.5237436235042454
Energy: 1.6058494046429581
Energy: 1.2464620091697816
Energy: 7.525276065812749
Energy: 1.246462009170818
Energy: 1.5597154978391599
Energy: 1.2726372362556462
Energy: 1.5069677852862375
Energy: 1.2726372362535734
Energy: 1.5096905977172985
Energy: 1.228757931855015
Energy: 1.5348965439249642
Energy: 1.228757931855015
Energy: 1.5222694485521953
Energy: 1.2744973306418126
Energy: 1.5065140928849683
Energy: 1.2744973306397396
Energy: 1.5242852853927484
Energy: 1.228036496589017
Energy: 1.4724655387538
Energy: 1.228036496589017
Energy: 1.5565667002415926
Energy: 1.3088219301913337
Energy: 1.5226310041914357
Energy: 1.3088219301913337
Energy: 1.4782167991686364
Energy: 1.2290555822458888
Energy: 1.4716291280375808
Energy: 1.2290555822448526
Energy: 1.5006851838886472
Energy: 1.2740250736980174
Energy: 1.5461196665432344
Energy: 1.2740250736959444
Energy: 1.4854446044065686
Energy: 1.2285027333099916
Energy: 1.4645463642859626
Energy: 1.2285027333068823
Energy: 1.556988799437601
Energy: 1.2392528261721047
Energy: 1.517209505196219
Energy: 1.239252826173141
Energy: 1.5115355690252992
Energy: 1.2293271641971524
Energy: 1.4700660292756162
Energy: 1.2293271641971524
Energy: 1.5024098028694977
Energy: 1.2381253461088313
Energy: 1.6104139418137726
Energy: 1.2381253461067585
Energy: 1.5091674053474378
Energy: 1.228646102674842
Energy: 1.522092568930946
Energy: 1.228646102674842
Energy: 1.5547521099433033
Energy: 1.2289847959436464
Energy: 1.5147586927847934
Energy: 1.2289847959446831
Energy: 1.53718504314316
Energy: 1.2462422245376448
Energy: 6.991670003019473
Energy: 1.246242224538681
Energy: 1.5248240668767385
Energy: 1.4165280576288093
Energy: 1.655808287800042
Energy: 1.4165280576288093
Energy: 7.249364899102425
Energy: 1.2838507684710603
Energy: 1.5734119703241995
Energy: 1.2838507684710603
Energy: 1.664737688562126
Energy: 1.3382345476997703
Energy: 1.5654871685993923
Energy: 1.3382345477008066
Energy: 1.6578743086303096
Energy: 1.3263826185422345
Energy: 12.3843210362003
Energy: 1.326382618543271
Energy: 1.5999636069419856
Energy: 1.350372811225391
Energy: 1.6561007234570722
Energy: 1.350372811225391
Energy: 7.5531814970087625
Energy: 1.2835507471969307
Energy: 1.5734036209260907
Energy: 1.283550747195894
Energy: 1.555612906430594
Energy: 1.2837118044435218
Energy: 1.565088474199422
Energy: 1.2837118044424856
Energy: 1.5374831025771307
Energy: 1.2462989531291417
Energy: 7.074652478708867
Energy: 1.2462989531301782
Energy: 1.5245040964964174
Energy: 1.266117642285703
Energy: 1.5706849568329904
Energy: 1.2661176422867393
Energy: 1.50669026920682
Energy: 1.228641138888764
Energy: 1.5219138184549954
Energy: 1.228641138888764
Energy: 1.524635402704183
Energy: 1.228644061100646
Energy: 1.5137207267325603
Energy: 1.228644061100646
Energy: 1.5112615640879503
Energy: 1.2292787558496723
Energy: 1.4696423558608847
Energy: 1.2292787558496723
Energy: 1.5053120726222207
Energy: 1.236483590711555
Energy: 1.5422868052992666
Energy: 1.2364835907105183

minimum gb energy = 1.228036496589017 eV
minimum distance =  2.51452564560385 Angstroms
sigma value = 15


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

Energy: 1.650703083220196
Energy: 1.2484791572519214
Energy: 8.816002878300965
Energy: 1.2484791572527993
Energy: 1.5498548825905325
Energy: 1.2856011935609704
Energy: 1.5306346777529627
Energy: 1.285601193558336
Energy: 10.89697465142578
Energy: 1.195560761205691
Energy: 1.5827591505353502
Energy: 1.1955607612048131
Energy: 1.4669625535138646
Energy: 1.2208985101005703
Energy: 1.530350779692904
Energy: 1.2208985101005703
Energy: 1.5482075647992162
Energy: 1.1701218910432143
Energy: 6.588539176391056
Energy: 1.1701218910423359
Energy: 1.4662094691002368
Energy: 1.2046065392424252
Energy: 1.4617064994178108
Energy: 1.2046065392424252
Energy: 6.423181451508128
Energy: 1.1422816960335218
Energy: 1.4779500417457614
Energy: 1.142281696035278
Energy: 1.4297533294779152
Energy: 1.1862875102781951
Energy: 1.461111015420404
Energy: 1.1862875102764392
Energy: 1.4565394395124094
Energy: 1.1323236152059182
Energy: 1.3842768609449807
Energy: 1.1323236152059182
Energy: 1.4296702816754543
Energy: 1.164503716662042
Energy: 1.4558760253668028
Energy: 1.164503716662042
Energy: 1.3779006836508605
Energy: 1.1323343243110873
Energy: 1.4071185483641684
Energy: 1.1323343243119652
Energy: 1.4402318125114453
Energy: 1.1862448084759867
Energy: 1.5051693088136235
Energy: 1.1862448084768646
Energy: 1.4013930958136542
Energy: 1.1324124875634127
Energy: 1.3692346355441078
Energy: 1.1324124875634127
Energy: 1.4782711495849632
Energy: 1.160388974076745
Energy: 1.4224580456954061
Energy: 1.160388974075867
Energy: 1.392006719999625
Energy: 1.1323837026957881
Energy: 1.3723906637196361
Energy: 1.1323837026949104
Energy: 1.4354261236145571
Energy: 1.1598692847992322
Energy: 1.4813541774318322
Energy: 1.1598692848001102
Energy: 1.3813867634444332
Energy: 1.1325804018404733
Energy: 1.3974432527892544
Energy: 1.1325804018413512
Energy: 1.5135228717351432
Energy: 1.139619836364683
Energy: 1.4257275605848374
Energy: 1.139619836364683
Energy: 1.4452757131337164
Energy: 1.1322554138615726
Energy: 1.3833753483180247
Energy: 1.1322554138615726
Energy: 1.447582540439538
Energy: 1.1645374730911258
Energy: 1.4570479801975238
Energy: 1.1645374730884919
Energy: 1.4083117019655589
Energy: 1.1426278867169175
Energy: 1.4657361219397915
Energy: 1.1426278867151616
Energy: 1.5160252835748749
Energy: 1.3052954972662045
Energy: 1.440688054068257
Energy: 1.3052954972679605
Energy: 1.4799974047317686
Energy: 1.1694247282662533
Energy: 6.711703216876848
Energy: 1.1694247282653754
Energy: 1.4750505587889389
Energy: 1.3628702545708336
Energy: 1.5217349044217519
Energy: 1.3628702545717115
Energy: 8.949968513499087
Energy: 1.1946988422091995
Energy: 1.5169820787223223
Energy: 1.1946988422074436
Energy: 1.4940552207578728
Energy: 1.2666908483455777
Energy: 1.497393242552433
Energy: 1.2666908483446995
Energy: 1.5720506554188671
Energy: 1.2363610026310554
Energy: 10.98847336768109
Energy: 1.2363610026345675
Energy: 1.5389226744129934
Energy: 1.2816549648189026
Energy: 1.521179592366192
Energy: 1.2816549648206588
Energy: 11.279015086959323
Energy: 1.194599337998605
Energy: 1.516526494757454
Energy: 1.194599337999483
Energy: 1.516678809868343
Energy: 1.2188560620623863
Energy: 1.4977312144800456
Energy: 1.2188560620632642
Energy: 1.4802485803936816
Energy: 1.1690148031004037
Energy: 6.452780003582079
Energy: 1.1690148030995255
Energy: 1.4761055062509325
Energy: 1.2084484427125128
Energy: 1.4578067873901472
Energy: 1.2084484427133908
Energy: 6.4762739267559
Energy: 1.1427719766377433
Energy: 1.4660424509557692
Energy: 1.1427719766368654
Energy: 1.4681418469268845
Energy: 1.1579582838670246
Energy: 1.4411191778155283
Energy: 1.1579582838670246
Energy: 1.4452783865108048
Energy: 1.1322146147921976
Energy: 1.3977732512425143
Energy: 1.1322146147939538
Energy: 1.435754061605563
Energy: 1.1631332816552609
Energy: 1.4409169420882404
Energy: 1.163133281653505
Energy: 1.383845813785614
Energy: 1.132759943907922
Energy: 1.3981456757479864
Energy: 1.132759943909678

minimum gb energy = 1.1322146147921976 eV
minimum distance =  2.52340629879171 Angstroms
sigma value = 85


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

Energy: 1.6628122876511382
Energy: 1.1768664111665246
Energy: 6.961377655658272
Energy: 1.1768664111680474
Energy: 1.381049162704477
Energy: 1.284594394224873
Energy: 1.4320719178133932
Energy: 1.2845943942241111
Energy: 8.272126730740665
Energy: 1.1465470606184285
Energy: 1.6018212613325338
Energy: 1.1465470606176669
Energy: 1.4062134004933142
Energy: 1.138940508732905
Energy: 1.4320729942814088
Energy: 1.138940508732905
Energy: 1.5220801163645767
Energy: 1.0945848063151926
Energy: 4.9494872687155445
Energy: 1.094584806314431
Energy: 1.4056029763564908
Energy: 1.1080139178241408
Energy: 1.3732931410183888
Energy: 1.1080139178233792
Energy: 5.607811989966174
Energy: 1.0791287757676986
Energy: 1.478294778988357
Energy: 1.07912877576846
Energy: 1.3676312035019236
Energy: 1.079325233104949
Energy: 1.3742264300006892
Energy: 1.0793252331041878
Energy: 1.4100967061534
Energy: 1.0465346479542827
Energy: 1.3144289061276857
Energy: 1.0465346479542827
Energy: 1.367880755742939
Energy: 1.0659643385390734
Energy: 1.361808441333185
Energy: 1.0659643385383117
Energy: 1.2819023912834664
Energy: 1.0464303233242007
Energy: 1.3845917030125559
Energy: 1.0464303233242007
Energy: 1.3740384583274001
Energy: 1.0554100596831124
Energy: 1.3491221153149726
Energy: 1.0554100596831124
Energy: 1.331268338321829
Energy: 1.0463640790690858
Energy: 1.2952369762268674
Energy: 1.0463640790690858
Energy: 1.4229167505015772
Energy: 1.082740469926874
Energy: 1.3567538866806346
Energy: 1.0827404699276006
Energy: 1.2826391242042663
Energy: 1.0463798596831904
Energy: 1.3244788465836603
Energy: 1.0463798596809057
Energy: 1.3527963031681711
Energy: 1.068975065117004
Energy: 1.3917607453777368
Energy: 1.068975065117004
Energy: 1.2880530015714373
Energy: 1.0465495276566041
Energy: 1.308611462806377
Energy: 1.0465495276558427
Energy: 1.4209475335598918
Energy: 1.0684879230778328
Energy: 1.357249271593869
Energy: 1.0684879230770716
Energy: 1.314691345990556
Energy: 1.0461871296905008
Energy: 1.3004740903090564
Energy: 1.0461871296905008
Energy: 1.3450809685773162
Energy: 1.0408810637455699
Energy: 1.4401505112881494
Energy: 1.0408810637463313
Energy: 1.2835718322911496
Energy: 1.0463640697784793
Energy: 1.3519914500694477
Energy: 1.0463640697784793
Energy: 1.3655308396525132
Energy: 1.0556534505856354
Energy: 1.361665547169622
Energy: 1.055653450584874
Energy: 1.375624496904604
Energy: 1.0464784876470503
Energy: 1.3143124556434171
Energy: 1.046478487647812
Energy: 1.3684651749061978
Energy: 1.1986180365203338
Energy: 1.4003615640928218
Energy: 1.1986180365195722
Energy: 5.849497757554471
Energy: 1.0787610272090364
Energy: 1.4226463907758733
Energy: 1.0787610272082748
Energy: 1.4075539442550888
Energy: 1.2131881711897405
Energy: 1.3723499139199873
Energy: 1.2131881711897405
Energy: 1.4639136032663762
Energy: 1.0937337740735487
Energy: 5.690563706296912
Energy: 1.0937337740727875
Energy: 1.3974171863147606
Energy: 1.1296626648079662
Energy: 1.3552529849323651
Energy: 1.1296626648079662
Energy: 9.283981804904075
Energy: 1.1455012795893402
Energy: 1.4849229867566631
Energy: 1.1455012795878174
Energy: 1.3815509122578837
Energy: 1.1840242778966343
Energy: 1.4320770499855124
Energy: 1.1840242778966343
Energy: 1.5473265360525834
Energy: 1.176015766245246
Energy: 9.490285294932402
Energy: 1.176015766243723
Energy: 1.4764606632398967
Energy: 1.1711423123550657
Energy: 1.3551899303325452
Energy: 1.1711423123543045
Energy: 8.258875401925811
Energy: 1.1455621544834607
Energy: 1.4852680300753025
Energy: 1.1455621544842223
Energy: 1.4082483217667452
Energy: 1.1393767219152995
Energy: 1.4320281369215315
Energy: 1.1393767219160262
Energy: 1.4642200876939557
Energy: 1.0939479106021957
Energy: 5.571153395348473
Energy: 1.093947910601434
Energy: 1.3973349323530515
Energy: 1.0922445632854691
Energy: 1.4007118689691889
Energy: 1.0922445632862305
Energy: 5.980662836462709
Energy: 1.078557257701521
Energy: 1.4223273234340879
Energy: 1.078557257701521
Energy: 1.3667988289427728
Energy: 1.0799140832474559
Energy: 1.3721715282769447
Energy: 1.0799140832474559
Energy: 1.3756432353984094
Energy: 1.0462289579087043
Energy: 1.3132341394184017
Energy: 1.046228957907943
Energy: 1.3561791011743503
Energy: 1.0492743167867598
Energy: 1.3790388851848534
Energy: 1.0492743167867598
Energy: 1.2811893130135539
Energy: 1.046128159393479
Energy: 1.3521700223663056
Energy: 1.0461281593950018
Energy: 1.3650053474425388
Energy: 1.0561755645127564
Energy: 1.3502021942480833
Energy: 1.0561755645119948
Energy: 1.314567533820285
Energy: 1.0335351808637125
Energy: 1.2951007558324297
Energy: 1.033535180862951

minimum gb energy = 1.033535180862951 eV
minimum distance =  2.52585619046609 Angstroms
sigma value = 113


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

Energy: 0.019689875244691978
Energy: 0.019951681660788666
Energy: 6.789560221569843
Energy: 0.019951681660788666
Energy: 0.020004223059040777
Energy: 1.033041268649628
Energy: 0.020004223058455384
Energy: 1.0330412686502135
Energy: 12.100680853240034
Energy: 0.019951681660788666
Energy: 0.019689875244691978
Energy: 0.019951681660788666
Energy: 0.02000422305959365
Energy: 1.033041268649628
Energy: 0.020004223059040777
Energy: 1.033041268649628
Energy: 0.019689875244691978
Energy: 0.019951681660788666
Energy: 31.262713990897677
Energy: 0.019951681660788666
Energy: 0.020004223058455384
Energy: 1.033041268649628
Energy: 0.02000422305959365
Energy: 1.0330412686502135

minimum gb energy = 0.019689875244691978 eV
minimum distance =  2.69846477725329 Angstroms
sigma value = 1