Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432836367695
mass=55.845
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: 0.016431904712175503
Energy: 0.017118814128896404
Energy: 0.092566792908969
Energy: 0.017118814128896404
Energy: 0.017118814128896404
Energy: 1.213969023743332
Energy: 0.017118814128896404
Energy: 1.213969023743332
Energy: 0.09256679290956264
Energy: 0.017118814128896404
Energy: 0.016431904712175503
Energy: 0.017118814128896404
Energy: 0.017118814128896404
Energy: 1.213969023743332
Energy: 0.017118814128896404
Energy: 1.213969023743332

minimum gb energy = 0.016431904712175503 eV
minimum distance =  2.48817324259918 Angstroms
sigma value = 1


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

Energy: 0.9934752716502235
Energy: 1.0980956519228686
Energy: 0.8832608549674329
Energy: 1.0980956519228686
Energy: 0.9565027448868105
Energy: 1.0882622732394451
Energy: 0.9578611797391168
Energy: 1.0882622732371583
Energy: 0.8674491970328909
Energy: 1.0856327447521394
Energy: 0.9478802296401779
Energy: 1.0856327447513774
Energy: 0.9380246682119558
Energy: 1.1076168563042965
Energy: 0.9497367044242572
Energy: 1.1076168563042965
Energy: 0.9423895469305965
Energy: 1.1012047612110574
Energy: 0.9410808994959821
Energy: 1.1012047612110574
Energy: 0.8958334395477718
Energy: 1.2928231769792684
Energy: 0.9274689066143427
Energy: 1.2928231769792684
Energy: 0.9601136212715796
Energy: 1.0868967891180648
Energy: 0.8970174062939941
Energy: 1.0868967891173023
Energy: 0.8175006205095293
Energy: 1.0997838237157571
Energy: 0.9171376674079632
Energy: 1.0997838237157571
Energy: 0.9481246422420752
Energy: 0.9538165746533253
Energy: 0.9429709263785148
Energy: 0.9538165746540876
Energy: 0.9299429733049991
Energy: 1.085953003347205
Energy: 0.802425770916879
Energy: 1.085953003347205
Energy: 0.9403067928270121
Energy: 1.0454687091500146
Energy: 0.9480922370076226
Energy: 1.0454687091500146
Energy: 0.9005983017633057
Energy: 1.0996088290671322
Energy: 0.9479679474487406
Energy: 1.0996088290671322
Energy: 0.9565593854263027
Energy: 1.088435579489276
Energy: 0.9600964610306715
Energy: 1.088435579489276
Energy: 0.9588515944370324
Energy: 1.0929697276209283
Energy: 0.9434697955612315
Energy: 1.0929697276224528
Energy: 0.9402992183485606
Energy: 1.1026186098511175
Energy: 0.9496666050558813
Energy: 1.1026186098511175
Energy: 0.9414789617632883
Energy: 1.0981030938115168
Energy: 0.948851681799699
Energy: 1.0981030938115168
Energy: 0.9480666534256689
Energy: 1.0856129902706626
Energy: 0.8662911984529694
Energy: 1.0856129902699
Energy: 0.9585062817491392
Energy: 1.0853792678120922
Energy: 0.9578291217766453
Energy: 1.0853792678128547
Energy: 0.7960683475443081
Energy: 1.0993815150082549
Energy: 0.9542676522008026
Energy: 1.0993815150074926
Energy: 0.9623891286819951
Energy: 0.9534296909635176
Energy: 0.9494239847619255
Energy: 0.9534296909635176
Energy: 0.9282999253055719
Energy: 1.0854597514724746
Energy: 0.8371801890295855
Energy: 1.08545975147095
Energy: 0.9486105045329833
Energy: 1.3036775577572808
Energy: 0.9409951050345304
Energy: 1.303677557758043
Energy: 0.9401310767988664
Energy: 1.1011691109877162
Energy: 0.8803568170627062
Energy: 1.101169110986954
Energy: 0.9356559127495808
Energy: 1.0882107362150364
Energy: 0.8958008754166632
Energy: 1.0882107362150364
Energy: 0.896897190462594
Energy: 1.2968346032543718
Energy: 0.9596452379510934
Energy: 1.2968346032543718
Energy: 0.9439588983624521
Energy: 1.0995941135207163
Energy: 0.8811398007245372
Energy: 1.0995941135214788
Energy: 0.9408568944036421
Energy: 1.0893775036904716
Energy: 0.948470232957414
Energy: 1.0893775036897095
Energy: 0.8706957633511495
Energy: 1.0846671125903393
Energy: 0.9485895068575777
Energy: 1.0846671125903393
Energy: 0.9555512098505055
Energy: 1.094994664503879
Energy: 0.9405012454675313
Energy: 1.094994664503879
Energy: 0.963383345126136
Energy: 1.098977123822398
Energy: 0.9009322248498395
Energy: 1.0989771238239228
Energy: 0.9608737023563989
Energy: 1.0915554619850583
Energy: 0.9567366144098194
Energy: 1.0915554619850583
Energy: 0.9423540796177668
Energy: 1.0870940920304026
Energy: 0.95067681176608
Energy: 1.0870940920304026
Energy: 0.9415090495470908
Energy: 1.1065923292187503
Energy: 0.9516000531635828
Energy: 1.1065923292187503

minimum gb energy = 0.7960683475443081 eV
minimum distance =  2.27866103683607 Angstroms
sigma value = 1


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

Energy: 1.0651751063470372
Energy: 1.1845188346858644
Energy: 0.9420554458861123
Energy: 1.1845188346841258
Energy: 1.0102799100679252
Energy: 1.1218102967416717
Energy: 1.0119104328770527
Energy: 1.1218102967381947
Energy: 0.92865210330056
Energy: 1.1841178284507436
Energy: 1.0061559042628054
Energy: 1.1841178284498743
Energy: 1.004599744254083
Energy: 1.106159051119673
Energy: 0.9456751124187616
Energy: 1.1061590511205424
Energy: 1.0046116165322148
Energy: 1.1669146518122713
Energy: 0.9940785920153308
Energy: 1.1669146518174862
Energy: 0.9899490213135058
Energy: 1.1661069790855236
Energy: 0.9878849054370351
Energy: 1.1661069790863927
Energy: 1.0099099203187676
Energy: 1.105773753341067
Energy: 0.9810640237064964
Energy: 1.105773753340198
Energy: 0.8543457197150387
Energy: 1.1838349427937709
Energy: 0.9881250914797727
Energy: 1.1838349427937709
Energy: 1.005140634524572
Energy: 1.0261228011462815
Energy: 1.0156752734532035
Energy: 1.0261228011471508
Energy: 1.0119803008729076
Energy: 1.1839848277310547
Energy: 0.8692158815228929
Energy: 1.1839848277319238
Energy: 1.0096705861770743
Energy: 1.106363612079285
Energy: 1.012956769854536
Energy: 1.106363612078416
Energy: 0.9310344409340283
Energy: 1.1723875581907828
Energy: 1.0051134212514257
Energy: 1.1723875581907828
Energy: 1.0233612905109084
Energy: 1.1624243311808826
Energy: 0.9954525692141403
Energy: 1.1624243311826208
Energy: 1.0233004635307097
Energy: 1.1624147804298135
Energy: 1.00309348860911
Energy: 1.1624147804298135
Energy: 0.9309962465055314
Energy: 1.172599916292627
Energy: 1.0055250789243673
Energy: 1.1725999162943654
Energy: 1.009680811773001
Energy: 1.106012977973277
Energy: 1.016573179397192
Energy: 1.106012977974146
Energy: 1.0076302557588508
Energy: 1.1837644231012585
Energy: 0.8457787923109026
Energy: 1.1837644231003892
Energy: 1.0051814013457114
Energy: 1.0272709474906536
Energy: 1.0157264830534853
Energy: 1.0272709474897843
Energy: 0.8544569038462981
Energy: 1.184203659364655
Energy: 0.9881258652491419
Energy: 1.1842036593663934
Energy: 1.009626769281239
Energy: 1.1052135355538264
Energy: 0.9455500137705971
Energy: 1.1052135355581723
Energy: 0.9896337441998412
Energy: 1.1620940599171525
Energy: 0.9990396236224911
Energy: 1.1620940599136758
Energy: 1.00466804544828
Energy: 1.166621171856404
Energy: 0.9952300003944652
Energy: 1.1666211718590114
Energy: 1.0045055129153244
Energy: 1.1069886434731189
Energy: 1.0169854842829207
Energy: 1.1069886434713805
Energy: 0.9286127108532982
Energy: 1.183840624755359
Energy: 1.0065922306029567
Energy: 1.183840624756228
Energy: 1.0100961390596732
Energy: 1.1221227694986116
Energy: 1.0121452302600682
Energy: 1.1221227694968732
Energy: 1.065175106346168
Energy: 1.1845188346858644
Energy: 0.9223572315110685
Energy: 1.184518834684995
Energy: 1.0102799100687945
Energy: 1.1218102967408023
Energy: 1.011910432877922
Energy: 1.1218102967373256
Energy: 0.9286521033022985
Energy: 1.1841178284507436
Energy: 1.0061559042628054
Energy: 1.1841178284498743
Energy: 1.0045997442549521
Energy: 1.1061590511205424
Energy: 0.9456751124196308
Energy: 1.106159051119673

minimum gb energy = 0.8457787923109026 eV
minimum distance =  2.27531347349285 Angstroms
sigma value = 25


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

Energy: 1.140916601356085
Energy: 1.2591971357190812
Energy: 1.0069345411751005
Energy: 1.2591971357170606
Energy: 1.1018385007145586
Energy: 1.2198938970605697
Energy: 1.0895285144937887
Energy: 1.2198938970605697
Energy: 1.001642121516811
Energy: 1.2902302340384475
Energy: 1.0938024517047524
Energy: 1.2902302340384475
Energy: 1.0739934540537055
Energy: 1.245426239181486
Energy: 1.0243344516614568
Energy: 1.245426239181486
Energy: 1.024033541247683
Energy: 1.2581528581983148
Energy: 1.0784615455374902
Energy: 1.2581528581983148
Energy: 1.0805814615941163
Energy: 1.2911901198394238
Energy: 1.0997873698280933
Energy: 1.2911901198394238
Energy: 1.1028636608560103
Energy: 1.0991711496827536
Energy: 1.0582820591163202
Energy: 1.0991711496827536
Energy: 1.0216791175267268
Energy: 1.2633307340965032
Energy: 0.9485819713187084
Energy: 1.2633307340975137
Energy: 1.0585063284144407
Energy: 1.1873318691211308
Energy: 1.1026922209494363
Energy: 1.1873318691211308
Energy: 1.1005186221856715
Energy: 1.2915453130327483
Energy: 1.0072643496921585
Energy: 1.2915453130327483
Energy: 1.0782666600909994
Energy: 1.257960050186578
Energy: 1.0906362848490798
Energy: 1.2579600501855674
Energy: 1.030259982241281
Energy: 1.2604927144330356
Energy: 1.0892914405999483
Energy: 1.2604927144330356
Energy: 1.0939163297158794
Energy: 1.2133544106167744
Energy: 1.0078293444787507
Energy: 1.2133544106167744
Energy: 1.0558823287854116
Energy: 1.1016187424504749
Energy: 1.1024511247839366
Energy: 1.1016187424514852
Energy: 0.9472732335113493
Energy: 1.2588114015340752
Energy: 0.9461846208685938
Energy: 1.2588114015340752
Energy: 1.0984437477884157
Energy: 1.099073040290631
Energy: 1.0259131707809728
Energy: 1.0990730402896207
Energy: 0.9166590067672065
Energy: 1.2903587339390763
Energy: 0.916645961590217
Energy: 1.2903587339390763
Energy: 1.024227662915167
Energy: 1.2593025898480334
Energy: 1.0764662382129744
Energy: 1.2593025898480334
Energy: 1.0746929115551411
Energy: 1.2436611717751733
Energy: 1.0231367235206277
Energy: 1.2436611717761838
Energy: 1.0991065910535216
Energy: 1.2907323779509288
Energy: 1.0941190179630076
Energy: 1.2907323779499182
Energy: 1.1070930277759394
Energy: 1.2236931540287574
Energy: 1.0922455408830716
Energy: 1.2236931540287574
Energy: 1.1368347349648606
Energy: 1.260437480813749
Energy: 1.0497481566299531
Energy: 1.260437480813749
Energy: 1.0986610478194543
Energy: 1.199215899467879
Energy: 1.0899951278843283
Energy: 1.1992158994688895
Energy: 1.0002133495128183
Energy: 1.2948327438556295
Energy: 1.0991101250303912
Energy: 1.2948327438556295
Energy: 1.0906785891139636
Energy: 1.116788067211021
Energy: 1.0242951559941986
Energy: 1.116788067211021

minimum gb energy = 0.916645961590217 eV
minimum distance =  2.27754379223602 Angstroms
sigma value = 9


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

Energy: 1.2859583659140763
Energy: 1.3088750125785715
Energy: 1.085833277032747
Energy: 1.3088750125809823
Energy: 1.1522008359427438
Energy: 1.3042811614320384
Energy: 1.1919190713589476
Energy: 1.304281161430833
Energy: 1.0848441622078768
Energy: 1.3124746407289596
Energy: 1.1910214560411494
Energy: 1.3124746407289596
Energy: 1.2166450366585995
Energy: 1.3728719689784634
Energy: 1.0374080311196456
Energy: 1.3728719689784634
Energy: 1.1895009727009234
Energy: 1.3009971195894927
Energy: 1.1522315122448337
Energy: 1.3009971195894927
Energy: 0.9871891082005718
Energy: 1.21563133346744
Energy: 1.1291606627918478
Energy: 1.2156313334614133
Energy: 1.222676221837804
Energy: 1.0377321339275574
Energy: 1.0416374119617893
Energy: 1.0377321339275574
Energy: 1.06845113116773
Energy: 1.2152600717350468
Energy: 1.0330866965864811
Energy: 1.2152600717495108
Energy: 1.2171710574967807
Energy: 1.3043742615543126
Energy: 1.1932486150267574
Energy: 1.3043742615543126
Energy: 1.2203710503254606
Energy: 1.2174011371312325
Energy: 1.1282234242498637
Energy: 1.2174011371288218
Energy: 1.103512916788214
Energy: 1.3358839156744602
Energy: 1.1903639343494048
Energy: 1.335883915673255
Energy: 1.2189946861839693
Energy: 1.3261955090302933
Energy: 1.0372364738743287
Energy: 1.3261955090278825
Energy: 0.9880180350132248
Energy: 1.230231891985393
Energy: 1.0281816181601269
Energy: 1.2302318919865984
Energy: 1.1086985353352186
Energy: 1.2165533438989626
Energy: 1.1938513453866166
Energy: 1.2165533438989626
Energy: 0.9880113088355575
Energy: 1.2312538228890302
Energy: 1.0020172694017875
Energy: 1.2312538228866197
Energy: 1.2182484168319758
Energy: 1.2365673869704228
Energy: 1.037632537005226
Energy: 1.2365673975184714
Energy: 1.1037167566752462
Energy: 1.3359221680873323
Energy: 1.1087229032536439
Energy: 1.335922168088538
Energy: 1.2206653779645495
Energy: 1.2724179809151541
Energy: 1.1286653965199622
Energy: 1.2724179808742
Energy: 1.2171239011445452
Energy: 1.3043668687363874
Energy: 1.1233215455918384
Energy: 1.3043668687375929
Energy: 1.0684424429856587
Energy: 1.2150362815022966
Energy: 1.0330391727031618
Energy: 1.2150362869564504
Energy: 1.2226942466328365
Energy: 1.0375166131187976
Energy: 1.0421896013736665
Energy: 1.0375166131187976

minimum gb energy = 0.9871891082005718 eV
minimum distance =  2.32921397745983 Angstroms
sigma value = 25


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

Energy: 1.122897151462763
Energy: 1.4413309455077519
Energy: 1.2335629670666082
Energy: 1.4413309455077519
Energy: 1.0972448704061788
Energy: 1.455425665547005
Energy: 1.0736239282388171
Energy: 1.455425665547005
Energy: 1.0756474729523393
Energy: 1.4756409375920183
Energy: 1.0736746583758225
Energy: 1.4756409375920183
Energy: 1.119129813201531
Energy: 1.442034961792836
Energy: 1.159622058481538
Energy: 1.442034961792836
Energy: 1.1622080286196552
Energy: 1.0946419710906925
Energy: 1.0747691476725367
Energy: 1.0946419710906925
Energy: 1.0758166590605374
Energy: 1.4749402819034942
Energy: 1.079582817223584
Energy: 1.4749402819020037
Energy: 1.0745789799873364
Energy: 1.2793830708083749
Energy: 1.0747844684577432
Energy: 1.2793830708068843
Energy: 1.160711853124694
Energy: 1.4392678025003167
Energy: 1.1175206592262799
Energy: 1.4392678025003167
Energy: 1.0735903660517476
Energy: 1.2887377751759292
Energy: 1.0988258835207825
Energy: 1.28873777517742
Energy: 1.2206676587455045
Energy: 1.314235787907742
Energy: 1.0792543894928757
Energy: 1.314235787907742
Energy: 1.0574860797690353
Energy: 1.4413238000197548
Energy: 1.2340219336353184
Energy: 1.4413238000197548
Energy: 1.0734955049435937
Energy: 1.131536401591166
Energy: 1.2262448483767356
Energy: 1.1315364015896754
Energy: 1.1833487801870566
Energy: 1.4754825289891487
Energy: 1.0750076735886285
Energy: 1.4754825289891487
Energy: 1.0741747736009382
Energy: 1.441014020444378
Energy: 1.1183288140089174
Energy: 1.441014020444378
Energy: 1.0734704493192262
Energy: 1.4409998237284898
Energy: 1.1631576075512902
Energy: 1.4409998237284898
Energy: 1.0948094076303063
Energy: 1.4763896724158274
Energy: 1.0796087164731825
Energy: 1.4763896724158274
Energy: 1.0743296434259715
Energy: 1.1760948263487128
Energy: 1.2254098192202802
Energy: 1.1760948263487128

minimum gb energy = 1.0574860797690353 eV
minimum distance =  2.32319605205804 Angstroms
sigma value = 17


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

Energy: 1.304164962658653
Energy: 1.3007393783068
Energy: 1.2998113822762285
Energy: 1.3007393783076444
Energy: 1.2660996933504114
Energy: 1.2949131240242528
Energy: 1.1195594614087694
Energy: 1.294913123994705
Energy: 1.193243138167844
Energy: 1.2783050008119465
Energy: 1.1192545210027014
Energy: 1.2783050008119465
Energy: 1.1225452669579667
Energy: 1.2954973925963678
Energy: 1.2626232530438903
Energy: 1.2954973926124083
Energy: 1.2416621351714618
Energy: 1.3672360185375259
Energy: 1.2110086999042717
Energy: 1.3672360185366819
Energy: 1.1439201021918337
Energy: 1.3980742181299952
Energy: 1.1713081222081774
Energy: 1.3980742181299952
Energy: 1.125652178642479
Energy: 1.2971901018678984
Energy: 1.1241971788406315
Energy: 1.2971901018678984
Energy: 1.1730947674762833
Energy: 1.2949767693909573
Energy: 1.1377453875843748
Energy: 1.2949767693403424
Energy: 1.14563517039495
Energy: 1.3984861215169044
Energy: 1.2278336014782052
Energy: 1.3984861215177486
Energy: 1.2860691616803401
Energy: 1.248216473946877
Energy: 1.1199487663502257
Energy: 1.2482164739502541
Energy: 1.1262608146965094
Energy: 1.3007490656635563
Energy: 1.1978345655143328
Energy: 1.3007490656652447
Energy: 1.141491521944609
Energy: 1.2954756093132316
Energy: 1.1416578341088612
Energy: 1.2954756093132316
Energy: 1.2536642270473242
Energy: 1.3018759624709368
Energy: 1.2992682304721759
Energy: 1.3018759625367478
Energy: 1.119212192150025
Energy: 1.4958621510439116
Energy: 1.2089186394831082
Energy: 1.4958621510439116
Energy: 1.2208404299931082
Energy: 1.4006406750091898
Energy: 1.145791253279276
Energy: 1.4006406750091898
Energy: 1.1904198017886076
Energy: 1.2929631262252128
Energy: 1.1726310435343528
Energy: 1.2929631253830614
Energy: 1.123904218872251
Energy: 1.3658788815904246
Energy: 1.327005887751707
Energy: 1.3658788815895802
Energy: 1.1973662335688227
Energy: 1.284942115628212
Energy: 1.1438490179674607
Energy: 1.2849421156299006
Energy: 1.2781885423137134
Energy: 1.3969816718754344
Energy: 1.1871191218520138
Energy: 1.3969816718754344
Energy: 1.1222325417470058
Energy: 1.2930365509826822
Energy: 1.1231121395102361
Energy: 1.2930365510400512
Energy: 1.1471493808574864
Energy: 1.2864702489516426
Energy: 1.1924516002032397
Energy: 1.28647024894911
Energy: 1.1235189143180506
Energy: 1.2952282869716536
Energy: 1.28713116011377
Energy: 1.2952282869708092
Energy: 1.2503948589442744
Energy: 1.3001142715861989
Energy: 1.1211280295930193
Energy: 1.300114271587043
Energy: 1.2298015415149803
Energy: 1.3683264854184471
Energy: 1.193960332664824
Energy: 1.3683264854176032
Energy: 1.2979828575768695
Energy: 1.278369256520666
Energy: 1.2505671713509539
Energy: 1.278369256519822
Energy: 1.2813514379282918
Energy: 1.303057570264372
Energy: 1.1222197013462742
Energy: 1.3030575702660605
Energy: 1.2124883923233791
Energy: 1.2957287920782092
Energy: 1.3334617453146487
Energy: 1.2957287920765208
Energy: 1.1712903855479746
Energy: 1.2947963091977215
Energy: 1.194014951837597
Energy: 1.2947963091977215
Energy: 1.3270024856406673
Energy: 1.4816956991229455
Energy: 1.1253568062982544
Energy: 1.4816956991229455
Energy: 1.1375926505170613
Energy: 1.3965449624305832
Energy: 1.198344811731288
Energy: 1.3965449624322719

minimum gb energy = 1.119212192150025 eV
minimum distance =  2.2636089509362 Angstroms
sigma value = 53


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

Energy: 1.1186712907770886
Energy: 1.1165273004700487
Energy: 1.2881025299079287
Energy: 1.1165273004700487
Energy: 1.2643987207720129
Energy: 1.2302167349265551
Energy: 1.1097755598681012
Energy: 1.2302167349246556
Energy: 1.1195890763872203
Energy: 1.1167311930917345
Energy: 1.137377754259304
Energy: 1.1167311930917345
Energy: 1.1196292434460797
Energy: 1.11680550346639
Energy: 1.1375362317956157
Energy: 1.11680550346639
Energy: 1.2643253775131065
Energy: 1.230269655280447
Energy: 1.1091872537597047
Energy: 1.2302696552823909
Energy: 1.1186712907770886
Energy: 1.1165273004681049
Energy: 1.3259011251333603
Energy: 1.1165273004700487
Energy: 1.2643987207720129
Energy: 1.2302167349265551
Energy: 1.137764317227106
Energy: 1.2302167349265551
Energy: 1.1195890763872203
Energy: 1.1167311930917345
Energy: 1.2698552463835127
Energy: 1.1167311930917345
Energy: 1.1196292434441362
Energy: 1.11680550346639
Energy: 1.194648521268041
Energy: 1.11680550346639
Energy: 1.26432537751505
Energy: 1.230269655280447
Energy: 1.1564991306005112
Energy: 1.230269655280447
Energy: 1.1186712907770886
Energy: 1.1165273004700487
Energy: 1.2739112330576936
Energy: 1.1165273004700487
Energy: 1.2643987207720129
Energy: 1.2302167349265551
Energy: 1.194687281686212
Energy: 1.2302167349265551
Energy: 1.1195890763872203
Energy: 1.1167311930917345
Energy: 1.2698552392713602
Energy: 1.1167311930917345

minimum gb energy = 1.1091872537597047 eV
minimum distance =  2.30833917071573 Angstroms
sigma value = 9


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

Energy: 1.232235970820538
Energy: 1.2628794189341956
Energy: 1.3789147027397284
Energy: 1.2628794189298795
Energy: 1.3448563449179691
Energy: 1.2460518579409554
Energy: 1.1982549293074136
Energy: 1.2460518579416746
Energy: 1.1480675927352137
Energy: 1.2127343631427792
Energy: 1.164587059056384
Energy: 1.2127343631434988
Energy: 1.206095802702132
Energy: 1.5326378449192102
Energy: 1.1587367975036311
Energy: 1.5326378449206488
Energy: 1.2531490088693211
Energy: 1.275632122190898
Energy: 1.1856951801743714
Energy: 1.275632122190898
Energy: 1.2151366335824156
Energy: 1.2123930299560748
Energy: 1.1900748948974442
Energy: 1.212393029956794
Energy: 1.3773111849039963
Energy: 1.2684478841576554
Energy: 1.199202028682285
Energy: 1.2684478841562168
Energy: 1.1637625787589776
Energy: 1.5373817260737703
Energy: 1.2681092390447595
Energy: 1.5373817260730507
Energy: 1.1511916113995708
Energy: 1.5478221695566996
Energy: 1.221815427880232
Energy: 1.5478221695566996
Energy: 1.1493060599864897
Energy: 1.241292230426472
Energy: 1.1995648482671604
Energy: 1.241292230426472
Energy: 1.1659212162141563
Energy: 1.5670896847927185
Energy: 1.3146841843694093
Energy: 1.5670896847934375
Energy: 1.3351866739435423
Energy: 1.3418937132775006
Energy: 1.154066531989744
Energy: 1.3418937132789395
Energy: 1.150541705054702
Energy: 1.2419769125465918
Energy: 1.296241580104863
Energy: 1.2419769126465148
Energy: 1.211922584028678
Energy: 1.5386010918390693
Energy: 1.238526742668619
Energy: 1.5386010918390693
Energy: 1.2077035444759852
Energy: 1.380084393906598
Energy: 1.2307289697222448
Energy: 1.3800843939073173
Energy: 1.1543082019234434
Energy: 1.5470921232773986
Energy: 1.196068502200264
Energy: 1.5470921232773986
Energy: 1.2069148978852202
Energy: 1.3808213596935448
Energy: 1.165510699261562
Energy: 1.3808213596935448
Energy: 1.1695710854629904
Energy: 1.2687551589972395
Energy: 1.3145037996421545
Energy: 1.2687551589979589
Energy: 1.3192269085440655
Energy: 1.241865667219883
Energy: 1.2171777126076888
Energy: 1.241865667414693
Energy: 1.1934576117285238
Energy: 1.2597991298658666
Energy: 1.2300435520482027
Energy: 1.2597991298658666
Energy: 1.2127343085569908
Energy: 1.5309349244927766
Energy: 1.2086801956098874
Energy: 1.5309349244927766
Energy: 1.229034321472079
Energy: 1.2843210377028251
Energy: 1.1489267526424798
Energy: 1.2843210377021055
Energy: 1.2218036115770172
Energy: 1.405300972888697
Energy: 1.1514057433376002
Energy: 1.4053009728879775
Energy: 1.3731547880976078
Energy: 1.343902094153865
Energy: 1.1635448599626703
Energy: 1.3439020941545847
Energy: 1.1982882395167438
Energy: 1.4423912900787346
Energy: 1.4193631077948459
Energy: 1.4423912900830507
Energy: 1.1706792412735427
Energy: 1.2129826601370102
Energy: 1.148426001494625
Energy: 1.2129826601377292
Energy: 1.2124414120378568
Energy: 1.381944410166026
Energy: 1.2055457621755554
Energy: 1.381944410165307
Energy: 1.2281901474960453
Energy: 1.5325105183013232
Energy: 1.206406972253666
Energy: 1.5325105183013232
Energy: 1.203129897712441
Energy: 1.2124575309557346
Energy: 1.1477138590254787
Energy: 1.2124575309557346
Energy: 1.1979263506138245
Energy: 1.3445982713861189
Energy: 1.421092763888746
Energy: 1.344598271387558
Energy: 1.3798844024739916
Energy: 1.207048290338695
Energy: 1.1626840745064284
Energy: 1.207048290351643
Energy: 1.199087871062785
Energy: 1.2714175436754138
Energy: 1.1489838732409643
Energy: 1.2714175436754138
Energy: 1.1983523081269734
Energy: 1.2840637183862706
Energy: 1.148230611359099
Energy: 1.2840637183862706
Energy: 1.2040033663854315
Energy: 1.532209439003634
Energy: 1.2060356276993391
Energy: 1.532209439003634
Energy: 1.1856675185805041
Energy: 1.4165494124981601
Energy: 1.377151962353907
Energy: 1.416549412497441

minimum gb energy = 1.1477138590254787 eV
minimum distance =  2.27240628916601 Angstroms
sigma value = 73


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

Energy: 1.2658957592590188
Energy: 1.2664756179817938
Energy: 1.291817269030294
Energy: 1.26647561866854
Energy: 1.305523455891382
Energy: 1.337951035440637
Energy: 1.2118612370592134
Energy: 1.3379510354417783
Energy: 1.1665638788334682
Energy: 1.209017566949843
Energy: 1.18661730544317
Energy: 1.2090175669487018
Energy: 1.1272337656612923
Energy: 1.431469821445389
Energy: 1.1911243327426673
Energy: 1.4314698214442476
Energy: 1.1742044595922814
Energy: 1.3113254164048778
Energy: 1.1718430557410244
Energy: 1.3113254164048778
Energy: 1.1948085399245767
Energy: 1.2556201052502374
Energy: 1.219951329635461
Energy: 1.2556201052502374
Energy: 1.401555730378951
Energy: 1.353605021020836
Energy: 1.1599564413184908
Energy: 1.353605021020836
Energy: 1.155806353245526
Energy: 1.2319573132830852
Energy: 1.3708978906934584
Energy: 1.2319573132830852
Energy: 1.2904233656572348
Energy: 1.2331319935016507
Energy: 1.2303750653018297
Energy: 1.233131993502792
Energy: 1.1629911782937679
Energy: 1.2547042086635556
Energy: 1.163088597003218
Energy: 1.2547042086635556
Energy: 1.1526366730298554
Energy: 1.2330564282860503
Energy: 1.2584363315222118
Energy: 1.2330564282860503
Energy: 1.2709176761713716
Energy: 1.429969424238276
Energy: 1.1268011602412111
Energy: 1.429969424238276
Energy: 1.191373337666667
Energy: 1.3015103580937841
Energy: 1.3697493371001004
Energy: 1.3015103580937841
Energy: 1.2821667084679764
Energy: 1.4086895806684303
Energy: 1.193250086420456
Energy: 1.4086895806684303
Energy: 1.1794007828231188
Energy: 1.4125862573730772
Energy: 1.374951531659196
Energy: 1.4125862573730772
Energy: 1.2581511617569419
Energy: 1.2325071582406084
Energy: 1.156056791565319
Energy: 1.2325071582406084
Energy: 1.2716358316808771
Energy: 1.268264162076696
Energy: 1.1670948517888617
Energy: 1.2682641620755546
Energy: 1.2195180591104489
Energy: 1.4220017860272005
Energy: 1.1633047725380206
Energy: 1.4220017860260594
Energy: 1.1234245934497706
Energy: 1.2324659678829313
Energy: 1.1554639897418366
Energy: 1.2324659678829313
Energy: 1.2117140926170549
Energy: 1.2891746754279685
Energy: 1.4458503924080999
Energy: 1.2891746754245448
Energy: 1.3064008020899605
Energy: 1.243797455615566
Energy: 1.1968948898581646
Energy: 1.243797455615566
Energy: 1.2074571370743932
Energy: 1.3100428965024786
Energy: 1.2857022547878467
Energy: 1.3100428965024786

minimum gb energy = 1.1234245934497706 eV
minimum distance =  2.28953371520383 Angstroms
sigma value = 7


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

Energy: 1.2671347687876429
Energy: 1.263228144479451
Energy: 1.4521377519883019
Energy: 1.2632281444778373
Energy: 1.352360241341861
Energy: 1.2712176245228577
Energy: 1.2051143691794937
Energy: 1.2712176245220506
Energy: 1.1787107839763111
Energy: 1.4690787449439735
Energy: 1.1607585459456387
Energy: 1.4690787449431666
Energy: 1.1441278743081753
Energy: 1.3381201312428244
Energy: 1.2078473574961404
Energy: 1.3381201312412105
Energy: 1.1840183639432744
Energy: 1.2897764300318142
Energy: 1.1630371151550127
Energy: 1.2897764300310073
Energy: 1.1816395599969727
Energy: 1.2638857897496651
Energy: 1.2759917295542544
Energy: 1.2638857897488582
Energy: 1.3872036622677237
Energy: 1.4389316706306667
Energy: 1.163152185022164
Energy: 1.4389316706314734
Energy: 1.1815765565882221
Energy: 1.2638958471572765
Energy: 1.4101525106469406
Energy: 1.2638958471588906
Energy: 1.2912601792018914
Energy: 1.3174594597000397
Energy: 1.2044936670355677
Energy: 1.3174594597000397
Energy: 1.1808100598164915
Energy: 1.2976087430864371
Energy: 1.3508170082005257
Energy: 1.2976087430864371
Energy: 1.1478284446936278
Energy: 1.4680421338667173
Energy: 1.1631026151865425
Energy: 1.468042133867524
Energy: 1.2340033841007516
Energy: 1.2901736295117614
Energy: 1.1597757009741183
Energy: 1.2901736295125683
Energy: 1.2713436037886179
Energy: 1.2646354746838502
Energy: 1.163189947062078
Energy: 1.264635474680622
Energy: 1.1690685807528873
Energy: 1.2484721827058594
Energy: 1.1589866403813398
Energy: 1.2484721827050522
Energy: 1.1826188433263654
Energy: 1.370830141327531
Energy: 1.3914197360660423
Energy: 1.370830141329952
Energy: 1.3384773584321719
Energy: 1.2471532925923254
Energy: 1.2007287604205794
Energy: 1.247153292593939
Energy: 1.1827529568124617
Energy: 1.290746192191403
Energy: 1.324985694448571
Energy: 1.290746192191403
Energy: 1.1830115860852732
Energy: 1.2503343645087461
Energy: 1.159398641675446
Energy: 1.2503343645095533
Energy: 1.1808259202559859
Energy: 1.2639872590601873
Energy: 1.163302371550113
Energy: 1.263987259057766
Energy: 1.1803696653594884
Energy: 1.2900081497117375
Energy: 1.159946534076496
Energy: 1.2900081497085099
Energy: 1.1493092479222786
Energy: 1.4223858475819526
Energy: 1.2042335267495132
Energy: 1.422385847581146
Energy: 1.1805866261151903
Energy: 1.4622659218258642
Energy: 1.3503919641079678
Energy: 1.4622659218290923
Energy: 1.3374978198148053
Energy: 1.4333080055144654
Energy: 1.174346232249484
Energy: 1.4333080055160794
Energy: 1.2701036189636845
Energy: 1.2637773622001574
Energy: 1.2658219788340508
Energy: 1.2637773622041921
Energy: 1.2150884832061952
Energy: 1.2902937018204028
Energy: 1.1743269682802517
Energy: 1.290293701822824
Energy: 1.1429775171152472
Energy: 1.4668139633947805
Energy: 1.155823226416964
Energy: 1.4668139633963944
Energy: 1.1824386353938054
Energy: 1.297910343454851
Energy: 1.183550046426248
Energy: 1.2979103434540442
Energy: 1.1437637133442753
Energy: 1.2903840783982565
Energy: 1.20765417447543
Energy: 1.2903840783974494
Energy: 1.1779539428923766
Energy: 1.2637755881939663
Energy: 1.2274438656954443
Energy: 1.2637755881939663
Energy: 1.4051987891993603
Energy: 1.227802036955809
Energy: 1.206966669043186
Energy: 1.227802036957423
Energy: 1.1779539273013278
Energy: 1.2638594758576716
Energy: 1.35788985059264
Energy: 1.2638594758608996

minimum gb energy = 1.1429775171152472 eV
minimum distance =  2.27284960755189 Angstroms
sigma value = 29


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

Energy: 1.1930793289316035
Energy: 1.1977325530047815
Energy: 1.338588955799074
Energy: 1.1977325530047815
Energy: 1.1280897043826117
Energy: 1.2134883360113597
Energy: 1.2154026998067238
Energy: 1.2134883360102666
Energy: 1.0814790838018444
Energy: 1.2823276117510072
Energy: 1.1268053426493065
Energy: 1.2823276117521003
Energy: 1.2130751278067935
Energy: 1.238090804127003
Energy: 1.2153718213786044
Energy: 1.2380908041283771
Energy: 1.1912310134899167
Energy: 1.2700202889631307
Energy: 1.0817973870274078
Energy: 1.2700202889628496
Energy: 1.0822321672868418
Energy: 1.307996517856664
Energy: 1.0822374541190654
Energy: 1.307996517856664
Energy: 1.0818388143650188
Energy: 1.269976123801022
Energy: 1.1908899532766093
Energy: 1.2699761238004599
Energy: 1.215458276463612
Energy: 1.237739932737015
Energy: 1.2160351587845466
Energy: 1.2377399327381085
Energy: 1.1261586625468625
Energy: 1.2821171332056542
Energy: 1.0814740146937232
Energy: 1.2821171332056542

minimum gb energy = 1.0814740146937232 eV
minimum distance =  2.30529408534095 Angstroms
sigma value = 5


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

Energy: 1.1500687504919227
Energy: 1.1718802048373917
Energy: 1.4575923874516319
Energy: 1.171880204838154
Energy: 1.398163979947318
Energy: 1.1258237562563216
Energy: 1.0965418906704083
Energy: 1.1258237562555593
Energy: 1.0851344799260454
Energy: 1.153636804973559
Energy: 1.2793940146328941
Energy: 1.1536368049743215
Energy: 1.074215257557376
Energy: 1.2071770320784354
Energy: 1.1256653032100763
Energy: 1.2071770320784354
Energy: 1.1110129531848218
Energy: 1.2146496400423672
Energy: 1.2834332193934281
Energy: 1.2146496400431297
Energy: 1.1168419720504432
Energy: 1.1738492947888455
Energy: 1.1024484017334346
Energy: 1.1738492947888455
Energy: 1.0856999439173274
Energy: 1.2143580733866448
Energy: 1.0878882042485476
Energy: 1.2143580733866448
Energy: 1.0864963081141135
Energy: 1.1743205967350163
Energy: 1.091666334908089
Energy: 1.1743205967357784
Energy: 1.1136796168666698
Energy: 1.213751575009459
Energy: 1.0704596520795484
Energy: 1.2137515750102212
Energy: 1.122171426095314
Energy: 1.2163649817554192
Energy: 1.072247475010701
Energy: 1.2163649817538948
Energy: 1.0853748313399052
Energy: 1.203443618574985
Energy: 1.0890943282021763
Energy: 1.2034436185765096
Energy: 1.08797242093191
Energy: 1.1410596690812884
Energy: 1.1756447793877827
Energy: 1.1410596690790014
Energy: 1.1226705980461023
Energy: 1.1722292872003897
Energy: 1.176407495039621
Energy: 1.1722292872003897
Energy: 1.1131024591935832
Energy: 1.1720237301630851
Energy: 1.3814350469895407
Energy: 1.1720237301623229
Energy: 1.3082064628153778
Energy: 1.1153949654664752
Energy: 1.0889239455968847
Energy: 1.1153949654679998
Energy: 1.1230445061130507
Energy: 1.1535411770697839
Energy: 1.1011705227491257
Energy: 1.1535411770690214
Energy: 1.2769083374072387
Energy: 1.1403044242895455
Energy: 1.097509091278291
Energy: 1.14030442429107
Energy: 1.1130594408294467
Energy: 1.17217790977238
Energy: 1.1730782331150185
Energy: 1.1721779097731422
Energy: 1.1115302557834157
Energy: 1.2170834777110304
Energy: 1.0978470866093812
Energy: 1.217083477711793
Energy: 1.085575203783502
Energy: 1.2336017207354664
Energy: 1.1288291528432848
Energy: 1.233601720734704
Energy: 1.0728785896964363
Energy: 1.1995703142244152
Energy: 1.1220007432895918
Energy: 1.199570314223653
Energy: 1.1118884106396831
Energy: 1.2143008303492806
Energy: 1.1118477392187953
Energy: 1.2143008303492806
Energy: 1.0991641533663534
Energy: 1.1733772182980122
Energy: 1.0731571556731407
Energy: 1.17337721829725
Energy: 1.1744598572147191
Energy: 1.2057459079709478
Energy: 1.0858605693526138
Energy: 1.2057459079686608
Energy: 1.1815005820753173
Energy: 1.1577578978012042
Energy: 1.0949373378780476
Energy: 1.1577578978012042
Energy: 1.1499972369160518
Energy: 1.1721100647113327
Energy: 1.1131517738923151
Energy: 1.1721100647120952
Energy: 1.0985734130762879
Energy: 1.104258123420924
Energy: 1.134123760208437
Energy: 1.1042581234193993
Energy: 1.0980582523813842
Energy: 1.2083253328480579
Energy: 1.1230820558227357
Energy: 1.2083253328495822
Energy: 1.095689218423567
Energy: 1.1258273392834548
Energy: 1.4350765166210708
Energy: 1.125827339284217
Energy: 1.2427983635673305
Energy: 1.1720364114991275
Energy: 1.1128241928465377
Energy: 1.1720364114991275
Energy: 1.101374916505881
Energy: 1.1358236220904419
Energy: 1.267245229488963
Energy: 1.1358236220912041
Energy: 1.2750129687200455
Energy: 1.1575337736587423
Energy: 1.0878550340932012
Energy: 1.1575337736549307
Energy: 1.1242742430416774
Energy: 1.206713865943929
Energy: 1.074153510571046
Energy: 1.2067138659446912

minimum gb energy = 1.0704596520795484 eV
minimum distance =  2.29481217229011 Angstroms
sigma value = 1


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

Energy: 1.2338843065202978
Energy: 1.1104260204774465
Energy: 1.2599777832927201
Energy: 1.1104260204785006
Energy: 1.3278876315829953
Energy: 1.0532126693656598
Energy: 1.0623978607780458
Energy: 1.0532126693656598
Energy: 1.044416807832652
Energy: 1.1115948376845288
Energy: 1.240503594261479
Energy: 1.1115948376845288
Energy: 1.0554112468948602
Energy: 1.16366652740051
Energy: 1.0888277298720015
Energy: 1.1636665273984022
Energy: 1.0202271844554145
Energy: 1.1053042647523195
Energy: 1.3960666578516754
Energy: 1.1053042647523195
Energy: 1.0227764711824638
Energy: 1.1133587408092143
Energy: 1.0913338737582368
Energy: 1.1133587408071062
Energy: 1.0416874989012974
Energy: 1.2137670756092611
Energy: 1.114630235587365
Energy: 1.2137670756092611
Energy: 1.0435031588021513
Energy: 1.1148482254555305
Energy: 1.0792715203236078
Energy: 1.1148482254555305
Energy: 1.1170651351051841
Energy: 1.1146749297593437
Energy: 1.0815453821571945
Energy: 1.1146749297593437
Energy: 1.1097297427005526
Energy: 1.308452590891792
Energy: 1.0775676849660065
Energy: 1.3084525908907376
Energy: 1.0426871654588823
Energy: 1.1147883269823302
Energy: 1.0772648540869358
Energy: 1.1147883269823302
Energy: 1.0427855544209703
Energy: 1.2099231903188148
Energy: 1.0991539229418494
Energy: 1.2099231903198688
Energy: 1.022178452321624
Energy: 1.1584186509130319
Energy: 1.0893717650543613
Energy: 1.1584186509119783
Energy: 1.0195039038707998
Energy: 1.1099652002642721
Energy: 1.2146935089106543
Energy: 1.1099652002642721
Energy: 1.09273412631436
Energy: 1.1617333004086932
Energy: 1.0894359340891695
Energy: 1.1617333004086932
Energy: 1.04436854604136
Energy: 1.1112538233351985
Energy: 1.0510881559224552
Energy: 1.1112538233351985
Energy: 1.448050120115067
Energy: 1.0562381040820301
Energy: 1.0635863461852497
Energy: 1.0562381040830844
Energy: 1.2338843065213516
Energy: 1.1104260204774465
Energy: 1.2599782910731843
Energy: 1.1104260204785006
Energy: 1.3278876315829953
Energy: 1.0532126693656598
Energy: 1.0623978607780458
Energy: 1.0532126693656598
Energy: 1.044416807831598
Energy: 1.1115948376855829
Energy: 1.2570011558281227
Energy: 1.1115948376855829
Energy: 1.0554112468948602
Energy: 1.1636665273994562
Energy: 1.0888277298709472
Energy: 1.1636665273984022
Energy: 1.0202271844564688
Energy: 1.1053042647523195
Energy: 1.3131786201909477
Energy: 1.1053042647533737
Energy: 1.022776471183518
Energy: 1.1133587408092143
Energy: 1.0913338737582368
Energy: 1.1133587408092143
Energy: 1.0416874989012974
Energy: 1.2137670756082075
Energy: 1.1146302355884192
Energy: 1.2137670756092611

minimum gb energy = 1.0195039038707998 eV
minimum distance =  2.30355534263406 Angstroms
sigma value = 17


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

Energy: 1.089112560999421
Energy: 1.0860084824746987
Energy: 1.4682270140876934
Energy: 1.0860084824746987
Energy: 1.316541860006921
Energy: 1.069535278651707
Energy: 1.0365251085657528
Energy: 1.0695352786562675
Energy: 1.0368042938113173
Energy: 1.068204424972732
Energy: 1.3163194110522716
Energy: 1.0682044249720806
Energy: 1.0593349267171979
Energy: 1.2525241129189149
Energy: 1.0332026659503675
Energy: 1.2525241129189149
Energy: 1.0184685076139128
Energy: 1.1488217098053464
Energy: 1.3304333068199252
Energy: 1.1488217098046947
Energy: 1.0070146083267162
Energy: 1.2690106543700017
Energy: 1.0543693130525207
Energy: 1.2690106543686988
Energy: 1.036562945051468
Energy: 1.1273717468470763
Energy: 1.0932319321975876
Energy: 1.1273717468477278
Energy: 1.0181380996111407
Energy: 1.2794191537351751
Energy: 1.0170935513943262
Energy: 1.2794191537351751
Energy: 1.0812480965850775
Energy: 1.2807961060919104
Energy: 1.0589517746506054
Energy: 1.2807961060919104
Energy: 1.0850904758948432
Energy: 1.111198198453236
Energy: 1.036768234130351
Energy: 1.1111981984525845
Energy: 1.0376323641004455
Energy: 1.2513774481591007
Energy: 1.0180017768024296
Energy: 1.251377448158449
Energy: 1.0400134342120446
Energy: 1.1188969279202985
Energy: 1.0195267738821019
Energy: 1.118896927919647
Energy: 1.0059301718642857
Energy: 1.269184357588672
Energy: 1.03497847857631
Energy: 1.269184357588672
Energy: 1.0185425340511234
Energy: 1.1482060480198535
Energy: 1.1149596325739517
Energy: 1.1482060480211567
Energy: 1.0213138953354284
Energy: 1.2601861028959365
Energy: 1.0949210421572697
Energy: 1.2601861028959365
Energy: 1.0370232534932275
Energy: 1.0688176544052455
Energy: 1.3135992641549705
Energy: 1.068817654405897
Energy: 1.0483197085432712
Energy: 1.2615662250860238
Energy: 1.0347009125188937
Energy: 1.2615662250860238
Energy: 1.0319945140585443
Energy: 1.0866232602523986
Energy: 1.0330914084116634
Energy: 1.0866232602530501
Energy: 1.2023770045668452
Energy: 1.1207042837496166
Energy: 1.0369787621715112
Energy: 1.1207042837496166
Energy: 1.0543794724562132
Energy: 1.0682087909070082
Energy: 1.1974863641522429
Energy: 1.0682087909070082
Energy: 1.4575365727430012
Energy: 1.058617333142905
Energy: 1.0346389887628138
Energy: 1.058617333141602
Energy: 1.03518255080922
Energy: 1.0876010754110894
Energy: 1.3244300019132942
Energy: 1.0876010754123924
Energy: 1.1904443296561453
Energy: 1.0508011674787543
Energy: 1.0536689145820153
Energy: 1.0508011674794058
Energy: 1.0377478934860456
Energy: 1.128437775518433
Energy: 1.222721584767932
Energy: 1.128437775518433
Energy: 1.0468320499079995
Energy: 1.0872702388778674
Energy: 1.0322233613133711
Energy: 1.087270238878519
Energy: 1.035840863666974
Energy: 1.1500190976832712
Energy: 1.0516433120244528
Energy: 1.1500190976845743
Energy: 1.1807753473507596
Energy: 1.1029282185530425
Energy: 1.0378566295640004
Energy: 1.1029282185517397
Energy: 1.0982317724179371
Energy: 1.260337803097788
Energy: 1.0193845851832484
Energy: 1.2603378030951822
Energy: 1.1119997338594259
Energy: 1.147778969524031
Energy: 1.0191566732857371
Energy: 1.147778969524031
Energy: 1.0360145583192275
Energy: 1.2682676325979527
Energy: 1.061823044511743
Energy: 1.2682676325973012
Energy: 1.0194277901419082
Energy: 1.1480762497961592
Energy: 1.0402541400033107
Energy: 1.1480762497968107
Energy: 1.019512829691437
Energy: 1.2515739838397646
Energy: 1.035371591467299
Energy: 1.2515739838391133
Energy: 1.0376875848175269
Energy: 1.1113440256643559
Energy: 1.214874404440951
Energy: 1.111344025665659
Energy: 1.0633203256776265
Energy: 1.2834448090760633
Energy: 1.0578147138084082
Energy: 1.2834448090767148
Energy: 1.0174476202839324
Energy: 1.087530715675409
Energy: 1.0517737803173133
Energy: 1.087530715675409
Energy: 1.0881840299888208
Energy: 1.1287643037014379
Energy: 1.0350022598427995
Energy: 1.1287643037001351
Energy: 1.0538029007678618
Energy: 1.269326208816263
Energy: 1.006265194782429
Energy: 1.2693262088156114
Energy: 1.3170271579641069
Energy: 1.15012277508797
Energy: 1.035231366111025
Energy: 1.1501227750873184

minimum gb energy = 1.0059301718642857 eV
minimum distance =  2.29327780234712 Angstroms
sigma value = 89


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

Energy: 0.9482056741041552
Energy: 0.946278312623775
Energy: 1.3432975411926977
Energy: 0.946278312623775
Energy: 0.9512934039435341
Energy: 0.9873345212797092
Energy: 0.9540396602176442
Energy: 0.9873345212797092
Energy: 0.9545787341712596
Energy: 1.1179515558281046
Energy: 0.9333674061265951
Energy: 1.1179515558281046
Energy: 0.9231615766571694
Energy: 0.9873358990473187
Energy: 0.9541459389849398
Energy: 0.9873358990473187
Energy: 0.9533549607419959
Energy: 1.0312431726166578
Energy: 1.2647079770898235
Energy: 1.0312431726166578
Energy: 0.9499136150865644
Energy: 0.9475857115629903
Energy: 0.951378649339615
Energy: 0.9475857115629903
Energy: 0.9532072953266665
Energy: 1.117939069998065
Energy: 0.9521638723473003
Energy: 1.117939069998065
Energy: 0.9087888654544718
Energy: 1.3605561165130162
Energy: 0.9537324799255832
Energy: 1.3605561165130162
Energy: 0.9472774891188541
Energy: 1.0317122899201148
Energy: 0.9081290605874548
Energy: 1.0317122899201148
Energy: 0.9872653726591766
Energy: 0.946089452933438
Energy: 0.9486460465292263
Energy: 0.946089452933438
Energy: 0.94347220650396
Energy: 0.988492669987742
Energy: 0.9540140974465439
Energy: 0.988492669987742
Energy: 0.9436110781310797
Energy: 1.1212307021323151
Energy: 0.9548684230231477
Energy: 1.1212307021323151
Energy: 0.9496326953528714
Energy: 0.949047970359411
Energy: 0.9075215021716581
Energy: 0.949047970359411
Energy: 0.9505870550532035
Energy: 1.0300230567399082
Energy: 0.9507441668971155
Energy: 1.0300230567399082
Energy: 0.9073631143531545
Energy: 0.9489769095950106
Energy: 0.9496723126480183
Energy: 0.9489769095950106

minimum gb energy = 0.9073631143531545 eV
minimum distance =  2.31696053493669 Angstroms
sigma value = 13


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

Energy: 0.9226691653253399
Energy: 0.8800732748407223
Energy: 1.1303527419888921
Energy: 0.8800732748421513
Energy: 1.3763494796138935
Energy: 0.9079885764005953
Energy: 0.8641395552746189
Energy: 0.907988576402024
Energy: 0.8827802834467499
Energy: 0.8809747773476864
Energy: 1.0034157827771062
Energy: 0.8809747773491153
Energy: 0.8886030249409967
Energy: 0.9076899951088088
Energy: 0.8605304415555068
Energy: 0.9076899951095233
Energy: 0.890596653699827
Energy: 0.9436572148982665
Energy: 0.8906148336968568
Energy: 0.9436572148996953
Energy: 1.0447958548142766
Energy: 0.9083524366600665
Energy: 0.8950188621459613
Energy: 0.9083524366622099
Energy: 0.8906396487766322
Energy: 0.9505976697310957
Energy: 1.3471198221702878
Energy: 0.9505976697303812
Energy: 0.8477267573254779
Energy: 0.9084484868442556
Energy: 0.8951985466580722
Energy: 0.9084484868449701
Energy: 0.8908234273498311
Energy: 0.9493529281495762
Energy: 1.1290713670499055
Energy: 0.9493529281481473
Energy: 1.0648988045420478
Energy: 0.9699452394160748
Energy: 0.8608095147717889
Energy: 0.969945239419647
Energy: 0.8905258476957999
Energy: 0.9710344905859477
Energy: 0.8680042836254961
Energy: 0.971034490588091
Energy: 1.2071640307208802
Energy: 0.9698124562993473
Energy: 0.8597419996210213
Energy: 0.9698124563014907
Energy: 0.9303923179656842
Energy: 0.9000573648975618
Energy: 0.8685079301390461
Energy: 0.9000573648961327
Energy: 1.2325871602181682
Energy: 0.9702728498011193
Energy: 0.8597325860358058
Energy: 0.9702728498011193
Energy: 0.8907755032193202
Energy: 0.8805469522462609
Energy: 0.8552184299942037
Energy: 0.8805469522441174
Energy: 0.8877617385296476
Energy: 0.9706003060892666
Energy: 0.8613777066670998
Energy: 0.9706003060878379
Energy: 0.8816239479770316
Energy: 0.8788814733576901
Energy: 0.8649397629507223
Energy: 0.8788814733576901
Energy: 0.880083864320327
Energy: 0.9468520118089101
Energy: 0.9028605163070994
Energy: 0.9468520118096245
Energy: 0.8817062165121955
Energy: 0.9472919140701831
Energy: 0.9025242538538424
Energy: 0.9472919140687543
Energy: 0.8818730180382914
Energy: 0.9473202056224461
Energy: 0.9026390389516338
Energy: 0.9473202056231607
Energy: 0.8781886616069899
Energy: 0.9468019636972557
Energy: 0.902616917993023
Energy: 0.9468019636972557
Energy: 0.8815638528729651
Energy: 0.8788810637908465
Energy: 0.8652790851722699
Energy: 0.8788810637929901
Energy: 0.8879031393806226
Energy: 0.9704193904101699
Energy: 0.8623601279848034
Energy: 0.9704193904108843
Energy: 0.8908363365264289
Energy: 0.8811096439978043
Energy: 0.8584964012571323
Energy: 0.8811096439949465
Energy: 1.232629647675969
Energy: 0.9703000579273674
Energy: 0.859801817018136
Energy: 0.9703000579302253
Energy: 0.9304497514783374
Energy: 0.9002242588433838
Energy: 0.8680997686742811
Energy: 0.9002242588412405
Energy: 1.2074242931605352
Energy: 0.969924903063773
Energy: 0.8599493340841547
Energy: 0.969924903063773
Energy: 0.8905237971759169
Energy: 0.9704818597555284
Energy: 0.8682332326667244
Energy: 0.9704818597548139
Energy: 1.0647607752452817
Energy: 0.9697753930859168
Energy: 0.8606367335103224
Energy: 0.969775393092347
Energy: 0.8907832607816569
Energy: 0.9494254047065772
Energy: 1.0546602979913782
Energy: 0.9494254046980037
Energy: 0.8519168138353828
Energy: 0.9084101140420634
Energy: 0.8950184169619126
Energy: 0.9084101140406343
Energy: 0.8906121030880765
Energy: 0.9503634370045584
Energy: 1.223174935402387
Energy: 0.9503634370067017
Energy: 1.044760509850837
Energy: 0.9083151396075058
Energy: 0.8951204857967026
Energy: 0.90831513960179
Energy: 0.8906553914508899
Energy: 0.9435451522306049
Energy: 1.2232620490088166
Energy: 0.9435451522299553
Energy: 0.8884628756280959
Energy: 0.9081592054621703
Energy: 0.8605100892534724
Energy: 0.9081592054628848

minimum gb energy = 0.8477267573254779 eV
minimum distance =  2.3301436412909 Angstroms
sigma value = 37


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

Energy: 1.01561860928746
Energy: 0.8647339897502011
Energy: 0.7435847918583162
Energy: 0.8647339897502011
Energy: 1.4988709298875367
Energy: 0.8369590088396796
Energy: 0.7777400839923473
Energy: 0.8369590088384504
Energy: 0.9447912219180666
Energy: 0.9379242644595358
Energy: 1.1087594714308306
Energy: 0.937924264460765
Energy: 0.9289900468613689
Energy: 0.8377523883362724
Energy: 0.7930178881184132
Energy: 0.8377523883362724
Energy: 0.7917240843217722
Energy: 0.8368475970329589
Energy: 0.9291758846747133
Energy: 0.8368475970329589
Energy: 0.7643912575044611
Energy: 0.8367999888335178
Energy: 0.9438363219592183
Energy: 0.8367999888335178
Energy: 0.7748409738273967
Energy: 0.888700164012745
Energy: 1.2382555529283117
Energy: 0.888700164012745
Energy: 0.7702082070582253
Energy: 0.8385743788524617
Energy: 0.8430104291080924
Energy: 0.8385743788524617
Energy: 0.7778273020425259
Energy: 0.8367294874266732
Energy: 1.2243375975996844
Energy: 0.8367294874266732
Energy: 1.1453853666049163
Energy: 0.932464323064779
Energy: 0.9427002470115063
Energy: 0.932464323064779
Energy: 0.7902992503402763
Energy: 0.9110644187116483
Energy: 0.9399771727491013
Energy: 0.9110644187104191
Energy: 1.1648711969430459
Energy: 0.8374136221996169
Energy: 0.7933579951559584
Energy: 0.8374136221996169
Energy: 0.9434473026885952
Energy: 0.8366190485277833
Energy: 0.9012730332543896
Energy: 0.8366190485277833
Energy: 1.2483617849392243
Energy: 0.8815411439089413
Energy: 0.7727377249370055
Energy: 0.8815411439089413
Energy: 1.0160532930711303
Energy: 0.8827384715687857
Energy: 0.7751167273623935
Energy: 0.8827384715687857
Energy: 1.0134928381818527
Energy: 0.8371035869729693
Energy: 0.7801590801677665
Energy: 0.8371035869729693
Energy: 0.943091315178919
Energy: 0.9296579236073349
Energy: 0.7467688508321977
Energy: 0.9296579236073349
Energy: 0.9406961266712768
Energy: 0.9124936516786255
Energy: 0.7902314595645038
Energy: 0.9124936516786255
Energy: 0.7902886201471929
Energy: 0.8391146660254097
Energy: 0.7866934474945331
Energy: 0.8391146660241806
Energy: 0.7867037429089946
Energy: 0.8368876265960575
Energy: 0.9444995707133653
Energy: 0.8368876265948284

minimum gb energy = 0.7435847918583162 eV
minimum distance =  2.33555899676536 Angstroms
sigma value = 25


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

Energy: 0.7565847739315928
Energy: 0.7019411318258236
Energy: 1.2141044443934967
Energy: 0.7019411318248637
Energy: 1.3620842650841904
Energy: 0.7266636177925235
Energy: 0.7062993852641251
Energy: 0.7266636177934832
Energy: 0.7017155953910178
Energy: 0.7006015056740781
Energy: 0.6515221058163738
Energy: 0.7006015056740781
Energy: 0.9152686293335648
Energy: 0.7269485291641751
Energy: 0.7065111094578244
Energy: 0.7269485291622553
Energy: 0.7059116463533315
Energy: 0.7270286728789546
Energy: 0.6681513884334361
Energy: 0.7270286728789546
Energy: 0.6640550584790894
Energy: 0.7266416779882698
Energy: 0.7064855053034075
Energy: 0.7266416779892297
Energy: 0.7061514272316924
Energy: 0.7005202000792188
Energy: 0.9133562442155202
Energy: 0.7005202000782588
Energy: 0.650758028753739
Energy: 0.7548851210273195
Energy: 0.7025552543545529
Energy: 0.7548851210282794
Energy: 0.7056178490713914
Energy: 0.7272931572877088
Energy: 1.2488685857378135
Energy: 0.7272931572877088
Energy: 0.6711940261260395
Energy: 0.7008166990058757
Energy: 0.7575212034823843
Energy: 0.7008166990068354
Energy: 0.7055889172690297
Energy: 0.7005481456269891
Energy: 1.1680290387775936
Energy: 0.700548145627949
Energy: 0.9654607652092225
Energy: 0.8255903703680104
Energy: 0.7026531696222422
Energy: 0.8255903703689702
Energy: 0.7058757545717264
Energy: 0.7271010177620334
Energy: 1.0376146616609025
Energy: 0.7271010177610734
Energy: 0.9859744592612452
Energy: 0.9991339084870927
Energy: 0.7067342054434993
Energy: 0.9991339084870927
Energy: 0.7058697624615322
Energy: 0.7009099992221496
Energy: 0.664045757074774
Energy: 0.7009099992221496
Energy: 0.9718386763585024
Energy: 0.8257782288168998
Energy: 0.7089186047545314
Energy: 0.8257782288159399
Energy: 0.7056354798306937
Energy: 0.7545481451009274
Energy: 0.6516527826286752
Energy: 0.7545481451018873
Energy: 0.9573088067972787
Energy: 0.726767363085223
Energy: 0.7069090043369204
Energy: 0.726767363085223
Energy: 0.7603886929377253
Energy: 0.7008845100144446
Energy: 0.664103836640169
Energy: 0.7008845100144446
Energy: 1.1669814847804167
Energy: 0.8294203766572246
Energy: 0.7083386407595268
Energy: 0.829420376655305
Energy: 0.7055368644049181
Energy: 0.7556602765744176
Energy: 0.6565203732892437
Energy: 0.7556602765744176
Energy: 0.6991897838324336
Energy: 0.7269936857969849
Energy: 0.706976466937284
Energy: 0.7269936857969849
Energy: 0.7090232217033615
Energy: 0.9953724211205177
Energy: 0.9850528759231081
Energy: 0.9953724211185979
Energy: 0.6636780421063688
Energy: 0.8289172838393901
Energy: 0.7088851724109525
Energy: 0.8289172838393901
Energy: 0.7078435517985325
Energy: 0.8249048535681448
Energy: 0.9707513302763792
Energy: 0.8249048535691048
Energy: 0.663845574506496
Energy: 0.7552072261932321
Energy: 0.70752553407359
Energy: 0.7552072261932321

minimum gb energy = 0.650758028753739 eV
minimum distance =  2.3422178166792 Angstroms
sigma value = 41


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

Energy: 1.0438698105285795
Energy: 0.6463894853044241
Energy: 1.1943517006037483
Energy: 0.6463894853044241
Energy: 1.3512406093864637
Energy: 0.628647472169725
Energy: 0.6149463071149921
Energy: 0.628647472169725
Energy: 0.6466473617739147
Energy: 0.6126275923799956
Energy: 0.5819526463171838
Energy: 0.6126275923799956
Energy: 1.0160621875952442
Energy: 0.6289907730608054
Energy: 0.6148252139049298
Energy: 0.6289907730608054
Energy: 0.6121789772139061
Energy: 0.6664197078472845
Energy: 0.5905175277680648
Energy: 0.6664197078472845
Energy: 0.8134542571279972
Energy: 0.6283369344807973
Energy: 0.6148032908136948
Energy: 0.6283369344792232
Energy: 0.6142588266634991
Energy: 0.6287431001416699
Energy: 0.8854702065601131
Energy: 0.6287431001416699
Energy: 0.5894291040851845
Energy: 0.6466453651077044
Energy: 0.6127462474516563
Energy: 0.6466453651077044
Energy: 0.616566458076011
Energy: 0.6466318754573427
Energy: 1.0819997785644155
Energy: 0.6466318754557688
Energy: 0.6008830438206862
Energy: 0.6124345467465167
Energy: 0.6470287766159527
Energy: 0.6124345467465167
Energy: 0.6143606286844621
Energy: 0.6291648263705942
Energy: 1.1878145388194823
Energy: 0.6291648263698073
Energy: 0.6009761859451673
Energy: 0.6461407521211526
Energy: 1.039865260144315
Energy: 0.6461407521219396
Energy: 0.616632670925201
Energy: 0.9143438926982329
Energy: 1.3413272133598273
Energy: 0.9143438926982329
Energy: 0.8594859900499286
Energy: 0.709202672411681
Energy: 0.6470527407273194
Energy: 0.709202672411681
Energy: 0.6143305905270119
Energy: 0.629143430736293
Energy: 1.0136582690009162
Energy: 0.629143430735506
Energy: 0.8649135054640672
Energy: 0.645685132156848
Energy: 0.612721113598881
Energy: 0.645685132156848
Energy: 0.6166989389987894
Energy: 0.9127707738736078
Energy: 0.9923048458974701
Energy: 0.9127707738743948
Energy: 0.8559821077166258
Energy: 0.7097407048488622
Energy: 0.6149488531087167
Energy: 0.7097407048480752
Energy: 0.6143462723087821
Energy: 0.6463724219523328
Energy: 0.6016691656853741
Energy: 0.6463724219523328
Energy: 0.8793574859182007
Energy: 0.6457888292096942
Energy: 0.6191900228629993
Energy: 0.6457888292089072
Energy: 0.6495450292338402
Energy: 0.9134029582538657
Energy: 0.5807959414679082
Energy: 0.9134029582538657
Energy: 1.1877801551182534
Energy: 0.9318042912581734
Energy: 0.6150391036286567
Energy: 0.9318042912573864
Energy: 1.0366939407344962
Energy: 0.6460350060204462
Energy: 0.6002619812965958
Energy: 0.6460350060204462
Energy: 1.043529455585088
Energy: 0.9135178140904223
Energy: 0.6192372486011289
Energy: 0.9135178140888485
Energy: 0.6490400818666785
Energy: 0.7076919777018736
Energy: 0.5860076712143605
Energy: 0.7076919777018736
Energy: 1.0103752727111006
Energy: 1.1700365585716226
Energy: 0.615225499196248
Energy: 1.1700365585724095
Energy: 0.6145899079254492
Energy: 0.6458194851585563
Energy: 0.8630244380527651
Energy: 0.6458194851656386
Energy: 0.6289473645447314
Energy: 0.9127010557920585
Energy: 0.6193200853281016
Energy: 0.9127010557920585
Energy: 0.6168672580137978
Energy: 0.7077933163824612
Energy: 0.8554296827420376
Energy: 0.7077933163824612
Energy: 0.5981514007405588
Energy: 0.9492477957855541
Energy: 0.6171429785342847
Energy: 0.9492477957871278
Energy: 0.6186311520177405
Energy: 0.6456202020705548
Energy: 0.876857162206825
Energy: 0.6456202020666201
Energy: 0.6025831492351476
Energy: 0.9135927946604055
Energy: 0.6523768491153359
Energy: 0.9135927946588317

minimum gb energy = 0.5807959414679082 eV
minimum distance =  2.29373328817622 Angstroms
sigma value = 15


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

Energy: 0.940841506476686
Energy: 0.5755535890438541
Energy: 0.8706745001435244
Energy: 0.5755535890418542
Energy: 1.3444096420168739
Energy: 0.5732231313219925
Energy: 0.5743321109321115
Energy: 0.5732231313246591
Energy: 0.6004976843318082
Energy: 0.5728306936841745
Energy: 0.5298017940040912
Energy: 0.5728306936841745
Energy: 1.0524333341373908
Energy: 0.5727228500060165
Energy: 0.5742504497375027
Energy: 0.5727228500073498
Energy: 0.5723561139545407
Energy: 0.6295285255457332
Energy: 0.5485866609765337
Energy: 0.6295285284069775
Energy: 0.9029678148494024
Energy: 0.5738187908186481
Energy: 0.5743871914182457
Energy: 0.5738187908166481
Energy: 0.5739494032999621
Energy: 0.5865073587034313
Energy: 0.5567959154629262
Energy: 0.5865073587027646
Energy: 0.729245926177738
Energy: 0.5868005205617344
Energy: 0.5740960790257001
Energy: 0.5868005205637343
Energy: 0.575371801475439
Energy: 0.5876504723850132
Energy: 0.8213702398511857
Energy: 0.5876504723823467
Energy: 0.5502966953360404
Energy: 0.5733396670851453
Energy: 0.5728882161318369
Energy: 0.573339667081812
Energy: 0.5739466602105502
Energy: 0.5731951245449065
Energy: 1.0494176625439018
Energy: 0.5731951245435732
Energy: 0.5442147333100751
Energy: 0.5731647211617378
Energy: 0.6007544933076285
Energy: 0.5731647211584046
Energy: 0.5753930391340868
Energy: 0.587691564343221
Energy: 1.272102219266192
Energy: 0.5876915643512206
Energy: 0.5490630550861624
Energy: 0.5734753377223412
Energy: 0.9372031726389325
Energy: 0.5734753377576726
Energy: 0.5737656062072152
Energy: 0.5742321420207347
Energy: 1.2003476432473708
Energy: 0.5742321420147349
Energy: 0.7771106681616461
Energy: 0.5726766698594982
Energy: 0.6007322072247957
Energy: 0.5726766698588316
Energy: 0.575619082390602
Energy: 0.5869498762748522
Energy: 1.1159545203503305
Energy: 0.5869498762741855
Energy: 0.7765020086375354
Energy: 0.6273142739666312
Energy: 0.572817222154233
Energy: 0.6273142739659645
Energy: 0.5740222121258397
Energy: 0.5730342686790233
Energy: 0.9006268274855815
Energy: 0.5730342686856896
Energy: 0.7707422592062868
Energy: 0.5723568042038262
Energy: 0.5744484900889719
Energy: 0.5723568042031595
Energy: 0.5753301915323887
Energy: 0.6013115853606193
Energy: 0.8112023444806206
Energy: 0.6013115853579528
Energy: 0.7865390096511079
Energy: 0.5865617707507754
Energy: 0.5771790353644676
Energy: 0.5865617707521087
Energy: 0.5737371229193595
Energy: 0.5726051250966464
Energy: 0.5506956958886593
Energy: 0.5726051245215855
Energy: 1.0989280211756332
Energy: 0.5724950908201745
Energy: 0.5742774325536695
Energy: 0.5724950908215077
Energy: 0.6019872488946945
Energy: 0.6012925274350357
Energy: 0.5371430592970823
Energy: 0.6012925274783668
Energy: 1.0712242167828372
Energy: 0.5867253733495165
Energy: 0.5776469325827085
Energy: 0.5867253733488499
Energy: 0.935569332774434
Energy: 0.5732561215767454
Energy: 0.5479671643720011
Energy: 0.5732561214861441
Energy: 1.1967703820165936
Energy: 0.5733573883297445
Energy: 0.5745859134812651
Energy: 0.5733573883330777
Energy: 0.6020805862213476
Energy: 0.6526010917096591
Energy: 0.5341755645171161
Energy: 0.6526010917083257
Energy: 0.9231613737630522
Energy: 0.5866916761730774
Energy: 0.577136973409851
Energy: 0.5866916761784106
Energy: 0.5742683880863205
Energy: 0.6256518387746228
Energy: 0.7772150187287182
Energy: 0.6256518356555133
Energy: 0.9019906062067219
Energy: 0.5730088118378779
Energy: 0.5745885920286595
Energy: 0.5730088118298785
Energy: 0.5754825930132667
Energy: 0.654613355131386
Energy: 0.7689370454262484
Energy: 0.6546133551453853
Energy: 0.568787129165835
Energy: 0.6061565776022152
Energy: 0.5772924725234122
Energy: 0.6061565776035486
Energy: 0.5654959003175317
Energy: 0.6290230681537413
Energy: 0.7839117410859506
Energy: 0.629023068160347
Energy: 0.5478788627264052
Energy: 0.5724254179578843
Energy: 0.5757564882089663
Energy: 0.572425417958551
Energy: 0.5756717989911235
Energy: 0.6558711149690308
Energy: 1.0957244587013704
Energy: 0.6558711148810354

minimum gb energy = 0.5298017940040912 eV
minimum distance =  2.3340774045158 Angstroms
sigma value = 85


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

Energy: 0.8912421366665364
Energy: 0.5640361099429105
Energy: 1.072251542680771
Energy: 0.5640361099429105
Energy: 1.3259688607736295
Energy: 0.5616136482577702
Energy: 0.5218532474332688
Energy: 0.5616136482566138
Energy: 0.8561992110188006
Energy: 0.5612764788395865
Energy: 0.4506344452928656
Energy: 0.5612764788395865
Energy: 1.052749528357088
Energy: 0.5618434120561122
Energy: 0.521797260614058
Energy: 0.5618434120566904
Energy: 0.560771308647858
Energy: 0.5203766336576775
Energy: 0.46243574990678643
Energy: 0.5203766336576775
Energy: 0.9190906041311202
Energy: 0.5610209786454051
Energy: 0.5218039953817121
Energy: 0.5610209787251664
Energy: 0.5203834645983655
Energy: 0.5804801827399483
Energy: 0.4972133727862957
Energy: 0.5804801827405265
Energy: 0.7844046277215121
Energy: 0.5608955326814486
Energy: 0.5218059521999378
Energy: 0.5608955326820269
Energy: 0.5216309025669519
Energy: 0.5403740641913158
Energy: 0.7874270443110072
Energy: 0.5403740641907376
Energy: 0.6213638882309971
Energy: 0.5810269879485817
Energy: 0.5205907674501009
Energy: 0.5810269879433781
Energy: 0.5225470762255487
Energy: 0.5610316880975034
Energy: 0.9925420838749099
Energy: 0.5610316880830755
Energy: 0.4568480953027321
Energy: 0.5608289941876555
Energy: 0.5609382650916174
Energy: 0.5608289941870774
Energy: 0.5214928551625064
Energy: 0.5406429506069766
Energy: 1.1684142235001842
Energy: 0.5406429506063986
Energy: 0.45245233005503505
Energy: 0.5614874194130347
Energy: 0.8539243530565304
Energy: 0.5614874194136129
Energy: 0.5226069329279408
Energy: 0.5618389010256345
Energy: 1.1903295478251221
Energy: 0.5618389010279472
Energy: 0.45719386219982916
Energy: 0.5601811098275323
Energy: 0.8891725195273255
Energy: 0.560181109833314
Energy: 0.5216677243007461
Energy: 0.5407098917972275
Energy: 1.3093684924944688
Energy: 0.5407098917972275
Energy: 0.6647769807593716
Energy: 0.5614626138717872
Energy: 0.8539577704182215
Energy: 0.5614626138729436
Energy: 0.5227255738267244
Energy: 0.5619639198178955
Energy: 1.0526335040881571
Energy: 0.5619639198178955
Energy: 0.6633347786220786
Energy: 0.561210083388229
Energy: 0.5610450472581384
Energy: 0.5612100833876509
Energy: 0.5216206891999006
Energy: 0.5407904971608293
Energy: 1.0393974650756368
Energy: 0.540790497159673
Energy: 0.6581270630626359
Energy: 0.5612028132454221
Energy: 0.5210521050927156
Energy: 0.5612028132448439
Energy: 0.5225742725894104
Energy: 0.5605867720981692
Energy: 0.784330034918833
Energy: 0.560586772097591
Energy: 0.7673688350557564
Energy: 0.5805291791563487
Energy: 0.5218403793627832
Energy: 0.5805291790731184
Energy: 0.5217138362205372
Energy: 0.5607404897654725
Energy: 0.6957982231920293
Energy: 0.5607404897660507
Energy: 1.013786892673705
Energy: 0.5610638151408246
Energy: 0.5238535678962404
Energy: 0.5610638151425591
Energy: 0.562178385387435
Energy: 0.5607076117855799
Energy: 0.45650453494001847
Energy: 0.5607076117867361
Energy: 0.948904270876404
Energy: 0.5803074965820644
Energy: 0.5219003912386095
Energy: 0.5803074965826426
Energy: 0.8528266013785663
Energy: 0.5605158540817187
Energy: 0.44937395221039417
Energy: 0.5605158540822969
Energy: 1.1903151456748757
Energy: 0.5609166117252786
Energy: 0.5239118921688136
Energy: 0.5609166117351077
Energy: 0.887912957983396
Energy: 0.5603804015105278
Energy: 0.45684146405280157
Energy: 0.5603804015093715
Energy: 1.0818275185502733
Energy: 0.5803691472123743
Energy: 0.5218758577770667
Energy: 0.580369147211796
Energy: 0.8526690738404388
Energy: 0.5605117574267521
Energy: 0.449456928141889
Energy: 0.5605117574273303
Energy: 1.0591815605009873
Energy: 0.5614279461896969
Energy: 0.523977884949179
Energy: 0.5614279463041223
Energy: 0.5623648092912116
Energy: 0.5607920887447212
Energy: 0.6634541683364923
Energy: 0.5607920887435648
Energy: 0.814405732207281
Energy: 0.5816994575438267
Energy: 0.5219420131241483
Energy: 0.5816994576172282
Energy: 0.5219097113426663
Energy: 0.5603849736068951
Energy: 0.6580790406617617
Energy: 0.5603849736068951
Energy: 0.7841336618334162
Energy: 0.5608438141074609
Energy: 0.5243346989875776
Energy: 0.5608438141068827
Energy: 0.5227976712748489
Energy: 0.7896801428956691
Energy: 0.6853573845759178
Energy: 0.7896801428956691
Energy: 0.48243659295123004
Energy: 0.6008887234129944
Energy: 0.5230106228714155
Energy: 0.6008887234106817
Energy: 0.5257200660424981
Energy: 0.5602410056200359
Energy: 0.9714790367335073
Energy: 0.5602410056206141
Energy: 0.45655470880701643
Energy: 0.5607687690597307
Energy: 0.5643286770816205
Energy: 0.5607687690591525
Energy: 0.5228600813728788
Energy: 0.7895811769454517
Energy: 0.9944480361716409
Energy: 0.7895811769448735

minimum gb energy = 0.44937395221039417 eV
minimum distance =  2.28874556698896 Angstroms
sigma value = 113


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

Energy: 0.018592459792122373
Energy: 0.019059580115343727
Energy: 0.7872787471890617
Energy: 0.01905958011489926
Energy: 0.7435362540080459
Energy: -0.5127380042918026
Energy: -0.5105817632430051
Energy: -0.512738004292247
Energy: 0.018592459792122373
Energy: 0.019059580115343727
Energy: 0.7872787471890617
Energy: 0.01905958011489926
Energy: 0.7435362540080459
Energy: -0.5127380042918026
Energy: -0.5105817632425607
Energy: -0.5127380042913581
Energy: 0.018592459792122373
Energy: 0.019059580115788195
Energy: 0.7872787471877282
Energy: 0.01905958011489926
Energy: 0.7435362540080459
Energy: -0.5127380042918026
Energy: -0.5105817632434496
Energy: -0.5127380042913581

minimum gb energy = -0.512738004292247 eV
minimum distance =  2.46747347989259 Angstroms
sigma value = 1