Model name: model_name=Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
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: 0.018146484029306284
Energy: 0.01837533880910268
Energy: 1.6582588320129636
Energy: 0.018375338808478397
Energy: 0.018375338808478397
Energy: 1.4517798280792042
Energy: 0.018375338808478397
Energy: 1.451779828079865
Energy: 1.6582588320123393
Energy: 0.01837533880910268
Energy: 0.018146484029306284
Energy: 0.01837533880910268
Energy: 0.01837533880910268
Energy: 1.451779828079865
Energy: 0.01837533880910268
Energy: 1.4517798280792042

minimum gb energy = 0.018146484029306284 eV
minimum distance =  2.41577134722439 Angstroms
sigma value = 1


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

Energy: 1.4473537459082106
Energy: 1.4536161647573016
Energy: 1.371065721426551
Energy: 1.4536161647573016
Energy: 1.4157301625736243
Energy: 1.4601418141624725
Energy: 1.4185759413879453
Energy: 1.4601418141624725
Energy: 1.3579790674983996
Energy: 1.4369840385586128
Energy: 1.3900996752328774
Energy: 1.4369840385586128
Energy: 1.3962199061980867
Energy: 1.4534156717673588
Energy: 1.373349671004521
Energy: 1.4534156717673588
Energy: 1.380385444280931
Energy: 1.4598817088921356
Energy: 1.4006706389607415
Energy: 1.4598817088921356
Energy: 1.3573460915373083
Energy: 1.6531953203109129
Energy: 1.3422726538083838
Energy: 1.6531953203117145
Energy: 1.4199619393483554
Energy: 1.4360246547694961
Energy: 1.3588812272601958
Energy: 1.4360246547694961
Energy: 1.2745470410052169
Energy: 1.463027534574712
Energy: 1.3394285732212516
Energy: 1.463027534574712
Energy: 1.3733972593962178
Energy: 1.6929594455458346
Energy: 1.424670502210723
Energy: 1.692959445545033
Energy: 1.3530858527539944
Energy: 1.4354958360063685
Energy: 1.2650050416933412
Energy: 1.4354958360063685
Energy: 1.4265773026155533
Energy: 1.4490255066964608
Energy: 1.3734506956149546
Energy: 1.4490255066972624
Energy: 1.3964669794111442
Energy: 1.4633584773841555
Energy: 1.369915050425304
Energy: 1.4633584773841555
Energy: 1.4157091476287187
Energy: 1.430437038976762
Energy: 1.4445985811816937
Energy: 1.4304370389775638
Energy: 1.3966304285607571
Energy: 1.4467605584240275
Energy: 1.366460661314401
Energy: 1.4467605584240275
Energy: 1.4055645850357734
Energy: 1.4538778754743513
Energy: 1.390173010016067
Energy: 1.453877875475153
Energy: 1.3967886023156928
Energy: 1.4536563663719984
Energy: 1.4155586647799263
Energy: 1.4536563663719984
Energy: 1.3899995694757512
Energy: 1.4368739623078788
Energy: 1.3197928419173521
Energy: 1.4368739623078788
Energy: 1.4186509617512304
Energy: 1.436053229481199
Energy: 1.4408046667030077
Energy: 1.436053229481199
Energy: 1.3058788118675981
Energy: 1.4593926766712253
Energy: 1.362138315967423
Energy: 1.4593926766720269
Energy: 1.4419069605369834
Energy: 1.9162010086568655
Energy: 1.3763169121021397
Energy: 1.916201008657667
Energy: 1.341131897905926
Energy: 1.4370288600321734
Energy: 1.263362146282393
Energy: 1.4370288600321734
Energy: 1.3731555579698536
Energy: 1.642382049784292
Energy: 1.4170668895054175
Energy: 1.642382049784292
Energy: 1.3984201392891662
Energy: 1.4600813926388787
Energy: 1.3271667603296948
Energy: 1.4600813926388787
Energy: 1.3813037086221167
Energy: 1.4372856521500301
Energy: 1.3568617012911677
Energy: 1.4372856521492283
Energy: 1.3584985609211038
Energy: 1.6506055451370176
Energy: 1.4198022932909247
Energy: 1.6506055451370176
Energy: 1.383014716310487
Energy: 1.462940527851665
Energy: 1.3458485041048238
Energy: 1.462940527851665
Energy: 1.3961232668752197
Energy: 1.6424021072139945
Energy: 1.37333210449018
Energy: 1.6424021072139945
Energy: 1.338079398227939
Energy: 1.432814767333968
Energy: 1.392153125746112
Energy: 1.4328147673331662
Energy: 1.4145998590281421
Energy: 1.4531345212572646
Energy: 1.4081246324368033
Energy: 1.4531345212572646
Energy: 1.5314198353720327
Energy: 1.4549192203288497
Energy: 1.4020621811514948
Energy: 1.4549192203288497
Energy: 1.4197608820370007
Energy: 1.4441259760949015
Energy: 1.4154188568664663
Energy: 1.4441259760957033
Energy: 1.3939059290942828
Energy: 1.4325600856271168
Energy: 1.3970214752610237
Energy: 1.4325600856271168
Energy: 1.3806806742215052
Energy: 1.477467087130189
Energy: 1.3762232101052863
Energy: 1.4774670871309905

minimum gb energy = 1.263362146282393 eV
minimum distance =  2.23587423495522 Angstroms
sigma value = 1


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

Energy: 1.732245796063086
Energy: 1.558319959823734
Energy: 1.4907612631494482
Energy: 1.558319959823734
Energy: 1.4584669618928423
Energy: 1.533045647788151
Energy: 1.4765657414908364
Energy: 1.533045647788151
Energy: 1.4022444977730677
Energy: 1.5616320487240412
Energy: 1.4510723055228463
Energy: 1.5616320487240412
Energy: 1.4223791850241374
Energy: 1.4630433172826036
Energy: 1.4011294537048853
Energy: 1.4630433172807755
Energy: 1.4224915720623026
Energy: 1.5272322235339961
Energy: 1.4700261567725315
Energy: 1.5272322235339961
Energy: 1.4865677014375478
Energy: 1.5270149314995438
Energy: 1.4441019572994613
Energy: 1.5270149314995438
Energy: 1.4644607305810005
Energy: 1.6491323880253814
Energy: 1.4435841078919747
Energy: 1.6491323880253814
Energy: 1.3161612644405987
Energy: 1.5616183564216477
Energy: 1.3922147695848661
Energy: 1.5616183564216477
Energy: 1.416549138764257
Energy: 2.0367675112587444
Energy: 1.5022457104301328
Energy: 2.0367675112587444
Energy: 1.4414523256985938
Energy: 1.5617248901130854
Energy: 1.4269823210089159
Energy: 1.5617248901130854
Energy: 1.4641736440715758
Energy: 1.5088106018920207
Energy: 1.4839441500394925
Energy: 1.5088106018920207
Energy: 1.3672452994679163
Energy: 1.54035788007469
Energy: 1.4512659728727262
Energy: 1.54035788007469
Energy: 1.511345059768222
Energy: 1.5218493585962944
Energy: 1.4507698677511782
Energy: 1.5218493585962944
Energy: 1.4771853694952046
Energy: 1.5221136517671883
Energy: 1.471616350476259
Energy: 1.5221136517671883
Energy: 1.3673191136521794
Energy: 1.5405005253053028
Energy: 1.4464431144549623
Energy: 1.5405005253062167
Energy: 1.464325264357768
Energy: 1.5088280513206878
Energy: 1.4437062721643141
Energy: 1.5088280513206878
Energy: 1.4414551441938392
Energy: 1.5617181199160428
Energy: 1.4276590894312544
Energy: 1.5617181199169567
Energy: 1.4163565690526116
Energy: 2.0365100131464278
Energy: 1.5021014650386848
Energy: 2.0365100131464278
Energy: 1.316212002673093
Energy: 1.561657202414534
Energy: 1.4100068591238333
Energy: 1.561657202414534
Energy: 1.4647824687640303
Energy: 1.6489439572089342
Energy: 1.3957725464246125
Energy: 1.6489439572089342
Energy: 1.486690337481691
Energy: 1.5267097923921746
Energy: 1.436615224067582
Energy: 1.5267097923921746
Energy: 1.4225455181584201
Energy: 1.5268276579271016
Energy: 1.451883707650256
Energy: 1.5268276579271016
Energy: 1.422294211616573
Energy: 1.4631440502620678
Energy: 1.4437862742782157
Energy: 1.463144050262982
Energy: 1.4020832156278926
Energy: 1.561848384767624
Energy: 1.4463091707673978
Energy: 1.561848384767624
Energy: 1.4583731194949947
Energy: 1.5330277089546689
Energy: 1.4763341215054437
Energy: 1.5330277089546689
Energy: 1.7322457960621722
Energy: 1.558319959823734
Energy: 1.5436055383734684
Energy: 1.558319959823734
Energy: 1.4584669618928423
Energy: 1.5330456477890233
Energy: 1.4765657414908364
Energy: 1.533045647788151
Energy: 1.4022444977730677
Energy: 1.5616320487240412
Energy: 1.4510723055219321
Energy: 1.5616320487240412
Energy: 1.4223791850241374
Energy: 1.4630433172816895
Energy: 1.3935497580036031
Energy: 1.4630433172807755

minimum gb energy = 1.3161612644405987 eV
minimum distance =  2.20330761891258 Angstroms
sigma value = 25


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

Energy: 1.5567081315828146
Energy: 1.6250160102121631
Energy: 1.604908109044955
Energy: 1.6250160102121631
Energy: 1.5537535740350241
Energy: 1.594328559449791
Energy: 1.5022902336314903
Energy: 1.5943285594508534
Energy: 1.474935560248414
Energy: 1.6864337990710845
Energy: 1.5057354771343225
Energy: 1.6864337990710845
Energy: 1.496481531233388
Energy: 1.5458369173152053
Energy: 1.4518758395081992
Energy: 1.5458369173152053
Energy: 1.7115375715852834
Energy: 1.6312470721797936
Energy: 1.539219477523158
Energy: 1.6312470721797936
Energy: 1.5750458098749456
Energy: 1.6863813224253503
Energy: 1.7004876815869105
Energy: 1.6863813224242878
Energy: 1.560275061436733
Energy: 1.763326173161925
Energy: 1.4985420212138925
Energy: 1.763326173161925
Energy: 1.6304129213643388
Energy: 1.631041741199747
Energy: 1.3953263192309067
Energy: 1.631041741199747
Energy: 1.497939156380733
Energy: 1.5753093131251779
Energy: 1.5518841015475502
Energy: 1.5753093131251779
Energy: 1.5248282611240618
Energy: 1.6859587255753052
Energy: 1.4366777718011003
Energy: 1.6859587255753052
Energy: 1.5342593809096312
Energy: 1.6247346132748823
Energy: 1.4996726632520514
Energy: 1.6247346132738198
Energy: 1.500436485487749
Energy: 1.624613401587993
Energy: 1.4995944433004968
Energy: 1.624613401587993
Energy: 1.5055154101039083
Energy: 1.6166043414732894
Energy: 1.4368019257100346
Energy: 1.6166043414732894
Energy: 1.4985374421093585
Energy: 1.581103042466386
Energy: 1.5599659853807
Energy: 1.581103042466386
Energy: 1.4429118610118128
Energy: 1.6327952776909727
Energy: 1.392898702402313
Energy: 1.6327952776909727
Energy: 1.5539485994086233
Energy: 1.7637103859539374
Energy: 1.4550128866499388
Energy: 1.7637103859720005
Energy: 1.3682831629992422
Energy: 1.6864965363776512
Energy: 1.3682736696602567
Energy: 1.6864965363776512
Energy: 1.4520172105273628
Energy: 1.5934034257546903
Energy: 1.5377546374990676
Energy: 1.5934034257546903
Energy: 1.4947509088129365
Energy: 1.6265253140480476
Energy: 1.454737771382278
Energy: 1.6265253140469849
Energy: 1.5820878139360424
Energy: 1.6860245069464819
Energy: 1.5064836069339769
Energy: 1.6860245069454196
Energy: 1.5156354307964426
Energy: 1.586042810738932
Energy: 1.500172398516168
Energy: 1.5860428107399942
Energy: 1.5655220891810187
Energy: 1.6256926692919271
Energy: 1.5691341754776835
Energy: 1.6256926692919271
Energy: 1.5528991018892644
Energy: 1.6042736489006988
Energy: 1.5050814102320351
Energy: 1.6042736489006988
Energy: 1.4735165938806698
Energy: 1.6849717847262073
Energy: 1.5244126636617001
Energy: 1.6849717847262073
Energy: 1.4994873570000335
Energy: 1.546404318461372
Energy: 1.4518983917264574
Energy: 1.546404318461372

minimum gb energy = 1.3682736696602567 eV
minimum distance =  2.20104195188597 Angstroms
sigma value = 9


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

Energy: 1.6587821777006408
Energy: 1.659852589329212
Energy: 1.6873495696484073
Energy: 1.6598525893304794
Energy: 1.54982458472681
Energy: 1.6922920183659171
Energy: 1.5638111768169825
Energy: 1.6922920183659171
Energy: 1.5501235152195365
Energy: 1.616161763823202
Energy: 1.5656426869492295
Energy: 1.6161617633354328
Energy: 1.857718016951596
Energy: 1.6046420145234475
Energy: 1.4725332221507808
Energy: 1.6046420145234475
Energy: 1.6739782114081123
Energy: 1.6859877124100502
Energy: 1.8115503361635887
Energy: 1.6859877124100502
Energy: 1.414434538604378
Energy: 1.7045608375089616
Energy: 1.5977972821509343
Energy: 1.7045608375076942
Energy: 1.5751900590749937
Energy: 1.5965787110787855
Energy: 1.473026462404949
Energy: 1.596578711077518
Energy: 1.5676817711597069
Energy: 1.7044509085073831
Energy: 1.4582481538282104
Energy: 1.7044509085073831
Energy: 1.5759857500202201
Energy: 1.6924066591564064
Energy: 1.6334273311614598
Energy: 1.6924066591564064
Energy: 1.6006330528065547
Energy: 1.6585155873936985
Energy: 1.5973745494523184
Energy: 1.6585155873924309
Energy: 1.4965422601473728
Energy: 1.7015167228013117
Energy: 1.563448354101768
Energy: 1.7015167228013117
Energy: 1.7089863358459674
Energy: 1.666482552793424
Energy: 1.472620952796711
Energy: 1.666482552793424
Energy: 1.4141945660927324
Energy: 1.702776391566206
Energy: 1.5781282447906857
Energy: 1.702776391566206
Energy: 1.569487056951907
Energy: 2.28368826905521
Energy: 1.5629235678213873
Energy: 2.28368826905521
Energy: 1.4142221486899136
Energy: 1.6161549603446244
Energy: 1.5672627253887506
Energy: 1.6161549603446244
Energy: 1.7095429287199364
Energy: 1.6664198362933431
Energy: 1.4726215286340658
Energy: 1.6664198362933431
Energy: 1.4948721247495564
Energy: 1.7014364217788391
Energy: 1.583300825870911
Energy: 1.7014364217788391
Energy: 1.6007667131783867
Energy: 1.6587662860222865
Energy: 1.597245916714634
Energy: 1.6587662860222865
Energy: 1.5760052306173449
Energy: 1.6924490811103958
Energy: 1.6548909615956184
Energy: 1.6924490811103958
Energy: 1.5676565100258373
Energy: 1.7042767193980113
Energy: 1.457919260586432
Energy: 1.7042767193980113
Energy: 1.5751935224459928
Energy: 1.5967925069410323
Energy: 1.4730999727224225
Energy: 1.5967925069410323

minimum gb energy = 1.4141945660927324 eV
minimum distance =  2.24649882762124 Angstroms
sigma value = 25


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

Energy: 1.4969739087783218
Energy: 1.8215758981395103
Energy: 1.7864813786707283
Energy: 1.8215758981395103
Energy: 1.4638898599942114
Energy: 1.6624281907248597
Energy: 1.4390716240436132
Energy: 1.6624281907248597
Energy: 1.6637880400214822
Energy: 1.8456941944380585
Energy: 1.4392854262189243
Energy: 1.8456941944380585
Energy: 1.7230771950793502
Energy: 1.6532372540589566
Energy: 1.6552635165951781
Energy: 1.6532372540573887
Energy: 1.6524232015906068
Energy: 1.4631843049583175
Energy: 1.5751505103297347
Energy: 1.4631843049583175
Energy: 1.4395639712756416
Energy: 1.8898536131950396
Energy: 1.6626590798095386
Energy: 1.8898536131934722
Energy: 1.5024129047909944
Energy: 1.6810734429553948
Energy: 1.663422055274182
Energy: 1.6810734429553948
Energy: 1.660995331998102
Energy: 1.8255472382280766
Energy: 1.5017874330879837
Energy: 1.8255472382265092
Energy: 1.4393666296258445
Energy: 1.6623054623151987
Energy: 1.465084599463406
Energy: 1.6623054623151987
Energy: 1.7111256135313755
Energy: 1.7051124643841673
Energy: 1.6630299766133831
Energy: 1.7051124643841673
Energy: 1.538710887015276
Energy: 1.8350555638349773
Energy: 1.8426449796174722
Energy: 1.8350555638349773
Energy: 1.4393454698505204
Energy: 1.6245719822491977
Energy: 1.7123347442072543
Energy: 1.6245719822491977
Energy: 1.633477328475509
Energy: 1.8455778784435726
Energy: 1.4391237667985632
Energy: 1.8455778784435726
Energy: 1.439529191570604
Energy: 1.6813260286128484
Energy: 1.7244140312442782
Energy: 1.6813260286128484
Energy: 1.5022880706284685
Energy: 1.8232262099744212
Energy: 1.8582284862812746
Energy: 1.8232262099744212
Energy: 1.4639580381797448
Energy: 1.6640944002796374
Energy: 1.444383143995224
Energy: 1.6640944002796374
Energy: 1.439629649254679
Energy: 1.5695150493597447
Energy: 1.7106393237487247
Energy: 1.5695150493597447

minimum gb energy = 1.4390716240436132 eV
minimum distance =  2.28752578550114 Angstroms
sigma value = 17


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

Energy: 1.6872175052179712
Energy: 1.6968575677068252
Energy: 1.8349351830685858
Energy: 1.6968575677068252
Energy: 1.720113905163766
Energy: 1.5706732714641427
Energy: 1.4773677697156573
Energy: 1.570673271463255
Energy: 1.8488177635555794
Energy: 1.8159696889174763
Energy: 1.4765209124811314
Energy: 1.8159696889183643
Energy: 1.6137020477952895
Energy: 1.836516258479187
Energy: 1.6693015015077115
Energy: 1.8365162584729726
Energy: 1.7450938517829775
Energy: 1.7438932587071552
Energy: 1.5561003870328884
Energy: 1.7438932587071552
Energy: 1.5016837448052627
Energy: 1.6683691459607186
Energy: 1.697810792218269
Energy: 1.6683691459607186
Energy: 1.575094031409709
Energy: 1.6579543585141348
Energy: 1.5757491891734925
Energy: 1.6579543585167982
Energy: 1.6933911562830455
Energy: 1.668507417198973
Energy: 1.499436066914631
Energy: 1.6685074169300953
Energy: 1.502822487611466
Energy: 1.834671357226106
Energy: 1.7121625702827445
Energy: 1.834671357226106
Energy: 1.8468429213185829
Energy: 1.6402240463927138
Energy: 1.4777774335271754
Energy: 1.6402240463927138
Energy: 1.482622006541204
Energy: 1.71113671060773
Energy: 1.8575726196632771
Energy: 1.7111367106068425
Energy: 1.5925590908559861
Energy: 1.6555362518565206
Energy: 1.5928938586764716
Energy: 1.6555362518565206
Energy: 1.7211360854069642
Energy: 1.698643082661806
Energy: 1.661720447427719
Energy: 1.698643082661806
Energy: 1.4767487575192606
Energy: 1.848310996767332
Energy: 1.7082826111351341
Energy: 1.8483109967682196
Energy: 1.6294506982988666
Energy: 1.6576922142191317
Energy: 1.6564991875622392
Energy: 1.6576922142191317
Energy: 1.707742703791059
Energy: 1.679729679826222
Energy: 1.6928080846597542
Energy: 1.679729679813793
Energy: 1.5752114273617603
Energy: 1.7297689990217564
Energy: 1.8681805305980625
Energy: 1.7297689990208687
Energy: 1.665398921089974
Energy: 1.678762469870053
Energy: 1.5023765395724877
Energy: 1.678762469869165
Energy: 1.6509260319001535
Energy: 1.7301450459556054
Energy: 1.7065958208557
Energy: 1.7301450459547174
Energy: 1.5776969076309546
Energy: 1.8353832605599099
Energy: 1.6322084006622133
Energy: 1.835383260559022
Energy: 1.5786618642119674
Energy: 1.8155473945855727
Energy: 1.689630214141974
Energy: 1.8155473945412237
Energy: 1.5769277579541698
Energy: 1.7672243020805498
Energy: 1.8409047370988363
Energy: 1.7672243020805498
Energy: 1.688049500670819
Energy: 1.8317900309381923
Energy: 1.4764423260581894
Energy: 1.8317900309373043
Energy: 1.594359400263715
Energy: 1.657545681396387
Energy: 1.691732562980538
Energy: 1.657545681396387
Energy: 1.665702703386511
Energy: 1.8154646315020913
Energy: 1.7072586368398084
Energy: 1.8154646315020913
Energy: 1.7713180028279427
Energy: 1.831094534936985
Energy: 1.4782826368765345
Energy: 1.831094534936985
Energy: 1.518080734525002
Energy: 1.7803458309048312
Energy: 1.8863532311367939
Energy: 1.7803458309057187
Energy: 1.6976858596529978
Energy: 1.6801728321144123
Energy: 1.701976854364905
Energy: 1.6801728321153
Energy: 1.8461525519799151
Energy: 1.8524113574235301
Energy: 1.5791320432214015
Energy: 1.8524113574235301
Energy: 1.4996890202754312
Energy: 1.7309275610193733
Energy: 1.6672667348103283
Energy: 1.7309275610193733

minimum gb energy = 1.4764423260581894 eV
minimum distance =  2.17938680186524 Angstroms
sigma value = 53


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

Energy: 1.3922856163977195
Energy: 1.3919440284378213
Energy: 1.7948047028790581
Energy: 1.3919440284378213
Energy: 1.7034195197586983
Energy: 1.5685849811259691
Energy: 1.5218390248832483
Energy: 1.5685849811259691
Energy: 1.3932099947197107
Energy: 1.3916819716369806
Energy: 1.575668055583228
Energy: 1.3916819716369806
Energy: 1.3931103223575265
Energy: 1.3915886845849508
Energy: 1.5692143448200595
Energy: 1.3915886845849508
Energy: 1.7034693590358727
Energy: 1.5685505793925438
Energy: 1.5217024067483338
Energy: 1.5685505793925438
Energy: 1.3922856163977195
Energy: 1.3919440284357774
Energy: 1.9630484118895954
Energy: 1.3919440284378213
Energy: 1.7034192140818163
Energy: 1.5685849811259691
Energy: 1.5679834776856079
Energy: 1.5685849811259691
Energy: 1.3932099947197107
Energy: 1.3916819716369806
Energy: 1.6422486912818084
Energy: 1.3916819716369806
Energy: 1.3931103223575265
Energy: 1.3915886845849508
Energy: 1.7012977537731468
Energy: 1.3915886845849508
Energy: 1.7035303913859297
Energy: 1.5685505793925438
Energy: 1.7020224691676975
Energy: 1.5685505793925438
Energy: 1.3922856163977195
Energy: 1.3919440284357774
Energy: 1.9630484118895954
Energy: 1.3919440284378213
Energy: 1.7034196378909205
Energy: 1.5685849811259691
Energy: 1.7013508855585044
Energy: 1.5685849811259691
Energy: 1.3932099947197107
Energy: 1.3916819716369806
Energy: 1.6422488206317032
Energy: 1.3916819716369806

minimum gb energy = 1.3915886845849508 eV
minimum distance =  2.26579096449032 Angstroms
sigma value = 9


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

Energy: 1.5475912134763676
Energy: 1.8260251783557002
Energy: 1.93132849664577
Energy: 1.8260251783564567
Energy: 1.9075037314722603
Energy: 1.6143748696799924
Energy: 1.5568319243737625
Energy: 1.614374869680749
Energy: 1.5395552201911007
Energy: 1.5279860512986805
Energy: 1.5717125713355384
Energy: 1.5279860512994368
Energy: 1.7595613742442673
Energy: 1.8840747362187822
Energy: 1.6366569783205511
Energy: 1.8840747362195385
Energy: 1.763074224105518
Energy: 1.6083719771423877
Energy: 1.5709754283423787
Energy: 1.6083719771416312
Energy: 1.5275267868940992
Energy: 1.5270558803036176
Energy: 1.778968134662912
Energy: 1.5270558803036176
Energy: 2.0521387867427268
Energy: 1.600414424577718
Energy: 1.5873202618251996
Energy: 1.600414424577718
Energy: 1.5540597291626022
Energy: 1.889617931977745
Energy: 1.7845681015219954
Energy: 1.889617931977745
Energy: 1.5426667124601674
Energy: 1.7144542282172635
Energy: 1.5265668297448625
Energy: 1.714454228214994
Energy: 1.5396801557808428
Energy: 1.6128476914775323
Energy: 1.5595325713895098
Energy: 1.6128476914775323
Energy: 1.5564193387019285
Energy: 1.6937451267727162
Energy: 1.9788332753436213
Energy: 1.693745126765908
Energy: 1.7964422848830213
Energy: 1.8244345209616315
Energy: 1.549863272080259
Energy: 1.8244345210017237
Energy: 1.543207241443399
Energy: 1.685629031287342
Energy: 1.8684514914232166
Energy: 1.685629031287342
Energy: 1.7887102964031463
Energy: 1.9195091660363937
Energy: 1.5578397258114767
Energy: 1.9195091660363937
Energy: 1.5615332886723023
Energy: 1.762402208392818
Energy: 1.767869966295425
Energy: 1.762402208392818
Energy: 1.5459660646289846
Energy: 1.9022862139477879
Energy: 1.762688477420215
Energy: 1.9022862139485444
Energy: 1.6990907319232584
Energy: 1.7616779435069576
Energy: 1.5615610743977804
Energy: 1.7616779435084704
Energy: 1.5904748258115675
Energy: 1.6006161406820083
Energy: 1.840547336755461
Energy: 1.600616140683521
Energy: 1.81873113664919
Energy: 1.7680581721560273
Energy: 1.5308287252472348
Energy: 1.7680581721560273
Energy: 1.5482187005531318
Energy: 1.6345386029332445
Energy: 1.7261344294196252
Energy: 1.6345386029340012
Energy: 1.768887333785948
Energy: 1.8811468288224684
Energy: 1.7600485787726348
Energy: 1.8811468288224684
Energy: 1.7303688857917632
Energy: 1.742243927026301
Energy: 1.5400071047241117
Energy: 1.742243927026301
Energy: 1.5271106849134017
Energy: 1.767493442362125
Energy: 1.543127438834931
Energy: 1.7674934423613686
Energy: 1.972339050700974
Energy: 1.6892582328312529
Energy: 1.5545097833992492
Energy: 1.6892582328312529
Energy: 1.5574748405609957
Energy: 1.8291759677824033
Energy: 1.950101310695105
Energy: 1.8291759677824033
Energy: 1.6664435257036376
Energy: 1.5279737817207502
Energy: 1.5392041203811817
Energy: 1.5279737817222632
Energy: 1.6947642393810691
Energy: 1.7484108567293433
Energy: 1.7431047393809864
Energy: 1.7484108567285865
Energy: 1.547890090355021
Energy: 1.884422930178378
Energy: 1.744072716823307
Energy: 1.884422930178378
Energy: 1.6584587656879624
Energy: 1.527141386334487
Energy: 1.5381407733602346
Energy: 1.527141386334487
Energy: 1.556940474573451
Energy: 1.8289124681480913
Energy: 1.9519538614794107
Energy: 1.8289124681480913
Energy: 1.8738588691098523
Energy: 1.691463562738797
Energy: 1.553053682485408
Energy: 1.6914635627410664
Energy: 1.5275220071625104
Energy: 1.6040144258325573
Energy: 1.5395481624201572
Energy: 1.6040144258325573
Energy: 1.5571484440448997
Energy: 1.7500273383715923
Energy: 1.5386608008887013
Energy: 1.7500273383723486
Energy: 1.7751657576542408
Energy: 1.8840231428730638
Energy: 1.7593563316220353
Energy: 1.8840231428730638
Energy: 1.5463591771379066
Energy: 1.807619572993297
Energy: 2.0722379206326025
Energy: 1.807619572993297

minimum gb energy = 1.5265668297448625 eV
minimum distance =  2.20449619851345 Angstroms
sigma value = 73


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

Energy: 1.675557537322588
Energy: 1.680873862175774
Energy: 1.949295084669703
Energy: 1.6808738621817747
Energy: 1.8338684346343306
Energy: 1.676288634261975
Energy: 1.5400277068169201
Energy: 1.676288634261975
Energy: 1.5905685258126845
Energy: 1.5388383723362156
Energy: 1.5466671699595758
Energy: 1.5388383723374157
Energy: 1.5634227372715488
Energy: 1.779762054450082
Energy: 1.677253623146344
Energy: 1.779762054450082
Energy: 1.6752833721034903
Energy: 1.6775615929486536
Energy: 1.6001822869462607
Energy: 1.6775615929486536
Energy: 1.603895680553974
Energy: 1.8294893155548253
Energy: 1.8861765094204115
Energy: 1.8294893155548253
Energy: 2.011001899574156
Energy: 1.7645012261784458
Energy: 1.6283968277622476
Energy: 1.7645012261784458
Energy: 1.560523404986271
Energy: 1.538696407409326
Energy: 1.9044491026728159
Energy: 1.538696407409326
Energy: 1.9520306147252153
Energy: 1.5396081373008927
Energy: 1.5387657179025545
Energy: 1.5396081373008927
Energy: 1.5902954545209036
Energy: 1.684944633644398
Energy: 1.5920915011544867
Energy: 1.684944633643198
Energy: 1.5578824913544622
Energy: 1.5389210546000305
Energy: 1.8865071643554279
Energy: 1.5389210546000305
Energy: 1.8344358998810335
Energy: 1.7781416309780351
Energy: 1.5639345180021142
Energy: 1.7781416309780351
Energy: 1.5929595904485554
Energy: 1.6384765319747396
Energy: 1.8706138362063927
Energy: 1.6384765319747396
Energy: 1.8792509366334098
Energy: 1.7601188203901137
Energy: 1.600230673454581
Energy: 1.7601188203901137
Energy: 1.5517408003425688
Energy: 1.8319603772164443
Energy: 1.9481449174985344
Energy: 1.8319603772164443
Energy: 1.8844501091021482
Energy: 1.54174979065255
Energy: 1.5610436319605923
Energy: 1.5417497906513495
Energy: 1.6694496588505567
Energy: 1.6761066727122365
Energy: 1.5965129257936268
Energy: 1.676106672715837
Energy: 1.66975364052453
Energy: 1.7871286840120593
Energy: 1.5965314973652451
Energy: 1.7871286840120593
Energy: 1.6064699338343493
Energy: 1.5387704930727633
Energy: 1.55795826687608
Energy: 1.5387704930727633
Energy: 1.6124288952678063
Energy: 1.7251759708379413
Energy: 2.0056863947045724
Energy: 1.7251759708367411
Energy: 1.9232565077272583
Energy: 1.8307928022294815
Energy: 1.6012579397112967
Energy: 1.8307928022294815
Energy: 1.6770583576042908
Energy: 1.6908400777157049
Energy: 1.7603817660702978
Energy: 1.6908400777157049

minimum gb energy = 1.538696407409326 eV
minimum distance =  2.21807814968506 Angstroms
sigma value = 7


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

Energy: 1.577433116596488
Energy: 1.578008571721335
Energy: 1.9328040607051462
Energy: 1.578008571721335
Energy: 1.970344342000172
Energy: 1.6970840644730139
Energy: 1.5979536105492056
Energy: 1.6970840644721652
Energy: 1.5630364049231575
Energy: 1.8184987096782348
Energy: 1.6388094606151413
Energy: 1.8184987096782348
Energy: 1.6562796292321746
Energy: 1.6720011479503645
Energy: 1.6128425970713451
Energy: 1.672001147951213
Energy: 1.583934679278623
Energy: 1.678060544222002
Energy: 1.5703686673121477
Energy: 1.678060544222002
Energy: 1.5666979827727516
Energy: 1.5776303533327456
Energy: 1.9222264911114326
Energy: 1.5776303533327456
Energy: 1.8805547938409
Energy: 1.8652771865393933
Energy: 1.6189943393185098
Energy: 1.8652771865402422
Energy: 1.5663439729312245
Energy: 1.5781744398076594
Energy: 2.046608142697215
Energy: 1.578174439808508
Energy: 1.8327382056644823
Energy: 1.6530142002184411
Energy: 1.610373371744666
Energy: 1.6530142002184411
Energy: 1.5809093914305792
Energy: 1.6738735917919898
Energy: 1.7566140725002612
Energy: 1.6738735917919898
Energy: 1.6950030187435532
Energy: 1.8200067521913146
Energy: 1.6951109109140996
Energy: 1.8200067521904657
Energy: 1.578880675839374
Energy: 1.678504937726652
Energy: 1.657943230602126
Energy: 1.678504937726652
Energy: 1.5777780315833718
Energy: 1.5789835873101905
Energy: 1.6600082341572648
Energy: 1.5789835873101905
Energy: 1.639469841418419
Energy: 1.5665368492453222
Energy: 1.6391715743061719
Energy: 1.5665368492470193
Energy: 1.577958788756572
Energy: 1.8781273130521494
Energy: 1.9321813773366239
Energy: 1.878127313052998
Energy: 2.0090679360112462
Energy: 1.5659390339967727
Energy: 1.5830104579360593
Energy: 1.5659390339967727
Energy: 1.597595027485508
Energy: 1.6784570524880513
Energy: 1.82248737547258
Energy: 1.6784570524880513
Energy: 1.569157454144
Energy: 1.8133914664980975
Energy: 1.657555813505819
Energy: 1.8133914664980975
Energy: 1.5972462342152733
Energy: 1.5777234812525396
Energy: 1.672385447436189
Energy: 1.5777234812533882
Energy: 1.5801480985183003
Energy: 1.6557304476102253
Energy: 1.6718244664880937
Energy: 1.6557304476110741
Energy: 1.6961715646797009
Energy: 1.8225263545035781
Energy: 1.609591471949183
Energy: 1.8225263545027297
Energy: 1.5914340345311042
Energy: 1.578415566395068
Energy: 1.8312705255020154
Energy: 1.5784155663942196
Energy: 1.9396137379084915
Energy: 1.7705871347171518
Energy: 1.6055787176464091
Energy: 1.7705871347171518
Energy: 1.5832216878231555
Energy: 1.5788084968508467
Energy: 2.0202042140611107
Energy: 1.5788084968508467
Energy: 1.6688781949044322
Energy: 1.656121019729535
Energy: 1.6351916139055218
Energy: 1.656121019729535
Energy: 1.6328329968704265
Energy: 1.8177053930861973
Energy: 1.6463931821808557
Energy: 1.8177053930861973
Energy: 1.5833721899906312
Energy: 1.6735704139383987
Energy: 1.7346530195255934
Energy: 1.6735704139392473
Energy: 1.634373637750129
Energy: 1.6785294544602254
Energy: 1.6126582821921016
Energy: 1.678529454459377
Energy: 1.561952739979016
Energy: 1.5794835572398682
Energy: 1.8685135188331736
Energy: 1.5794835572398682
Energy: 1.8153254459999377
Energy: 1.6242554618143186
Energy: 1.5980651592825643
Energy: 1.6242554618126213
Energy: 1.5621041819368469
Energy: 1.5787596393795227
Energy: 1.8371465994782419
Energy: 1.5787596393803713

minimum gb energy = 1.561952739979016 eV
minimum distance =  2.20314571692233 Angstroms
sigma value = 29


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

Energy: 1.5211026152147176
Energy: 1.4833340877298826
Energy: 1.703747904330892
Energy: 1.4833340877301782
Energy: 1.6720510625817107
Energy: 1.5225444269310278
Energy: 1.5893136976854958
Energy: 1.5225444269310278
Energy: 1.5212448790713573
Energy: 1.575834014025151
Energy: 1.6013626951115902
Energy: 1.5758340140248555
Energy: 1.5192853879374135
Energy: 1.4535002436043434
Energy: 1.6444577796376945
Energy: 1.4535002436043434
Energy: 1.5216337414647731
Energy: 1.536256005496283
Energy: 1.6721051469916657
Energy: 1.5362560054959873
Energy: 1.6015200307214226
Energy: 1.5765984121706822
Energy: 1.6014921197491954
Energy: 1.5765984121703867
Energy: 1.4526636061623013
Energy: 1.5365184421728002
Energy: 1.5215197735894737
Energy: 1.5365184421725373
Energy: 1.644433084088876
Energy: 1.453645961966276
Energy: 1.519380280765948
Energy: 1.4536459619659803
Energy: 1.6013784517202914
Energy: 1.5757899194366625
Energy: 1.601959516776956
Energy: 1.5757899194366625

minimum gb energy = 1.4526636061623013 eV
minimum distance =  2.26144675246492 Angstroms
sigma value = 5


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

Energy: 1.52057265277944
Energy: 1.5069698872286656
Energy: 1.7472942849361233
Energy: 1.5069698872270623
Energy: 1.708210492019573
Energy: 1.4796314317608583
Energy: 1.4904149501370139
Energy: 1.4796314317608583
Energy: 1.4725487969793543
Energy: 1.4971477286337789
Energy: 1.7388676568194226
Energy: 1.4971477286337789
Energy: 1.5199170629631538
Energy: 1.5664032134712487
Energy: 1.4920188909502063
Energy: 1.5664032134720502
Energy: 1.4922622516520279
Energy: 1.5757560653633993
Energy: 1.709739510865275
Energy: 1.5757560653633993
Energy: 1.5228012792628403
Energy: 1.5099206854677285
Energy: 1.470647300463604
Energy: 1.50992068546853
Energy: 1.469115329968967
Energy: 1.5853594389539756
Energy: 1.4886494872761173
Energy: 1.5853594389539756
Energy: 1.4705093355979826
Energy: 1.5098038461579524
Energy: 1.4803518383402263
Energy: 1.5098038461579524
Energy: 1.484943697025948
Energy: 1.692173111202273
Energy: 1.482709469142954
Energy: 1.692173111202273
Energy: 1.486575681406898
Energy: 1.5769116608353968
Energy: 1.5359184865936626
Energy: 1.5769116608345952
Energy: 1.4825700303710128
Energy: 1.510381215796871
Energy: 1.4722983004717733
Energy: 1.5103812157976728
Energy: 1.4849626223524364
Energy: 1.7405165558880236
Energy: 1.6485023282350217
Energy: 1.7405165558880236
Energy: 1.5703057410121442
Energy: 1.5083768167581852
Energy: 1.5046813408367852
Energy: 1.5083768167581852
Energy: 1.4867878928378142
Energy: 1.5087548811386946
Energy: 1.672350710459705
Energy: 1.5087548811386946
Energy: 1.7329614586061577
Energy: 1.4662734182472934
Energy: 1.472008225153856
Energy: 1.4662734182496984
Energy: 1.4898446725944319
Energy: 1.49153874560116
Energy: 1.8153167335349127
Energy: 1.49153874560116
Energy: 1.738915766452118
Energy: 1.4763710018390606
Energy: 1.5104267523847679
Energy: 1.4763710018383316
Energy: 1.4835414765221149
Energy: 1.5082903406104902
Energy: 1.6260378383618894
Energy: 1.5082903406104902
Energy: 1.4928671146342192
Energy: 1.5875170089114823
Energy: 1.473466732186755
Energy: 1.5875170089114823
Energy: 1.4736210418298243
Energy: 1.6497351306386179
Energy: 1.4972627837083647
Energy: 1.649735130636213
Energy: 1.4832962809673615
Energy: 1.689581351720998
Energy: 1.4863820745575926
Energy: 1.689581351720196
Energy: 1.4869588274287042
Energy: 1.5753964112200074
Energy: 1.4846160137451
Energy: 1.5753964112200074
Energy: 1.4752286799707155
Energy: 1.5091728475521222
Energy: 1.476042535032037
Energy: 1.5091728475521222
Energy: 1.623042501704512
Energy: 1.5178860886872114
Energy: 1.4889073031235278
Energy: 1.517886088688013
Energy: 1.6354084655434367
Energy: 1.7030093085848106
Energy: 1.4945570879468928
Energy: 1.7030093085840092
Energy: 1.4940106449678001
Energy: 1.5089098638081386
Energy: 1.4788451811688508
Energy: 1.5089098638089402
Energy: 1.475672853049641
Energy: 1.6416581971532416
Energy: 1.6366649217056577
Energy: 1.6416581971532416
Energy: 1.7377280479848634
Energy: 1.5769548274960359
Energy: 1.4875461157277385
Energy: 1.5769548274968375
Energy: 1.484730119915304
Energy: 1.4751230031409133
Energy: 1.5297706183866557
Energy: 1.475123003141715
Energy: 1.6350435240005479
Energy: 1.5078374919044437
Energy: 1.482306312477411
Energy: 1.5078374919052455
Energy: 1.4758091652100438
Energy: 1.4970867032025663
Energy: 1.6598364474560106
Energy: 1.4970867032025663
Energy: 1.7111714777614868
Energy: 1.570475212108349
Energy: 1.4811019442708617
Energy: 1.5704752121075474
Energy: 1.4939487739310826
Energy: 1.6889605127718654
Energy: 1.4673719420772051
Energy: 1.6889605127718654

minimum gb energy = 1.4662734182472934 eV
minimum distance =  2.2046244099839 Angstroms
sigma value = 1


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

Energy: 1.4495854372728387
Energy: 1.449500867544281
Energy: 1.7302136042373104
Energy: 1.4495008675431726
Energy: 1.5121355425265426
Energy: 1.4020760425889751
Energy: 1.4279101275238644
Energy: 1.4020760425889751
Energy: 1.3948885509443918
Energy: 1.4500437755853746
Energy: 1.9025905089450945
Energy: 1.4500437755853746
Energy: 1.6966431877717165
Energy: 1.5296367072085943
Energy: 1.4098309057525231
Energy: 1.5296367072085943
Energy: 1.3953412366058884
Energy: 1.4485198701112743
Energy: 1.6870845682801447
Energy: 1.4485198701123827
Energy: 1.3962164021536896
Energy: 1.5296099491821298
Energy: 1.4099928425259467
Energy: 1.5296099491821298
Energy: 1.3892496753495793
Energy: 1.5705240019398006
Energy: 1.4781289674795868
Energy: 1.570524001940909
Energy: 1.3889671668666175
Energy: 1.4515090319224349
Energy: 1.4800611230678726
Energy: 1.4515090319224349
Energy: 1.4488185813055436
Energy: 1.4501331221224685
Energy: 1.5084905945797822
Energy: 1.4501331221224685
Energy: 1.4489087509941265
Energy: 1.4500941283524076
Energy: 1.5007010690687748
Energy: 1.450094128353516
Energy: 1.3889411927442032
Energy: 1.4515321099311735
Energy: 1.508672445466718
Energy: 1.4515321099311735
Energy: 1.3955169350955998
Energy: 1.5705086923747082
Energy: 1.4156093784657777
Energy: 1.5705086923747082
Energy: 1.3975389258733493
Energy: 1.5293185842251424
Energy: 1.4099607211062186
Energy: 1.529318584224034
Energy: 1.3953146228820068
Energy: 1.4485190960855017
Energy: 1.6051317170189356
Energy: 1.4485190960855017
Energy: 1.6967792678624949
Energy: 1.5296553944611326
Energy: 1.409562223095195
Energy: 1.5296553944611326
Energy: 1.394655534771796
Energy: 1.4500582478096855
Energy: 1.5711428988047154
Energy: 1.4500582478096855
Energy: 1.5122399928580241
Energy: 1.4020867285647827
Energy: 1.4278761326606377
Energy: 1.4020867285647827
Energy: 1.4495854372728387
Energy: 1.449500867544281
Energy: 1.7303941999938182
Energy: 1.4495008675431726
Energy: 1.5121355425265426
Energy: 1.4020760425889751
Energy: 1.4279101275238644
Energy: 1.4020760425889751
Energy: 1.3948885509443918
Energy: 1.4500437755853746
Energy: 1.9025905089450945
Energy: 1.4500437755853746
Energy: 1.6966429321185943
Energy: 1.5296367072085943
Energy: 1.4098309057536313
Energy: 1.5296367072085943
Energy: 1.3953412366058884
Energy: 1.4485198701112743
Energy: 1.687084568279036
Energy: 1.4485198701112743
Energy: 1.3962164021536896
Energy: 1.5296099491821298
Energy: 1.4099928425259467
Energy: 1.5296099491821298
Energy: 1.3892496753495793
Energy: 1.5705240019398006
Energy: 1.478128967480695
Energy: 1.570524001940909

minimum gb energy = 1.3889411927442032 eV
minimum distance =  2.21838657497287 Angstroms
sigma value = 17


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

Energy: 1.43474462368614
Energy: 1.4350142865234505
Energy: 1.7287950439759923
Energy: 1.4350142865241355
Energy: 1.6699559223785796
Energy: 1.4219622153039608
Energy: 1.4021970524251401
Energy: 1.4219622153025908
Energy: 1.3998459529366274
Energy: 1.418649474778329
Energy: 1.705846075115903
Energy: 1.4186494747790142
Energy: 1.5402115171570687
Energy: 1.387896753356316
Energy: 1.3964594683854679
Energy: 1.387896753356316
Energy: 1.3965564457112503
Energy: 1.5158113240485234
Energy: 1.737850312986493
Energy: 1.5158113240485234
Energy: 1.390179445199342
Energy: 1.66107152682843
Energy: 1.4141852109948279
Energy: 1.66107152682843
Energy: 1.4245611295548706
Energy: 1.4936401405672983
Energy: 1.4677019339189339
Energy: 1.493640140566613
Energy: 1.4167437836283374
Energy: 1.671650796658514
Energy: 1.4075145161051246
Energy: 1.6716507966591987
Energy: 1.4335691851084016
Energy: 1.6715627795506174
Energy: 1.5159968474361962
Energy: 1.6715627795513022
Energy: 1.4179825596508544
Energy: 1.4823094652439843
Energy: 1.4030379650457192
Energy: 1.482309465242614
Energy: 1.3911567272040561
Energy: 1.45440069969317
Energy: 1.4035368242950381
Energy: 1.4544006996924848
Energy: 1.3899576132595528
Energy: 1.4864081457889602
Energy: 1.4172709970668933
Energy: 1.4864081457882752
Energy: 1.387936519127992
Energy: 1.6611840938555622
Energy: 1.4011586409945083
Energy: 1.6611840938555622
Energy: 1.4206772648014956
Energy: 1.5142576554222462
Energy: 1.4341663596768717
Energy: 1.5142576554222462
Energy: 1.4604704630333611
Energy: 1.6539824991509804
Energy: 1.4466245222504426
Energy: 1.6539824991502954
Energy: 1.4050494662164477
Energy: 1.4194233676995847
Energy: 1.7570961250782782
Energy: 1.4194233676982146
Energy: 1.4527163782528802
Energy: 1.65228067752036
Energy: 1.4009310007143814
Energy: 1.65228067752036
Energy: 1.3904980558675373
Energy: 1.435232632432528
Energy: 1.7050351308442588
Energy: 1.435232632432528
Energy: 1.5950688867207194
Energy: 1.4886155931994165
Energy: 1.401857554732542
Energy: 1.4886155932007867
Energy: 1.407740385790576
Energy: 1.4196200449803666
Energy: 1.7665508331309134
Energy: 1.4196200449796816
Energy: 1.4316831933529888
Energy: 1.4120156611870984
Energy: 1.4219044443570497
Energy: 1.4120156611864132
Energy: 1.422213892466753
Energy: 1.6865421857466651
Energy: 1.5939854767985255
Energy: 1.6865421857473504
Energy: 1.7917621383367732
Energy: 1.4043463249512345
Energy: 1.410075279545181
Energy: 1.4043463249539747
Energy: 1.401885431044881
Energy: 1.4959056515739944
Energy: 1.6050176501650975
Energy: 1.4959056515753646
Energy: 1.7181864636548627
Energy: 1.4360466733213118
Energy: 1.3927106597033885
Energy: 1.4360466733206267
Energy: 1.4037144667764117
Energy: 1.515825970627165
Energy: 1.447006541748707
Energy: 1.515825970627165
Energy: 1.5887089876636138
Energy: 1.4747757750968173
Energy: 1.3969778347635093
Energy: 1.4747757750975026
Energy: 1.4472401215070971
Energy: 1.6519339626141774
Energy: 1.4608253429659321
Energy: 1.6519339626134921
Energy: 1.433848942802295
Energy: 1.5136987965435218
Energy: 1.4174362659880728
Energy: 1.5136987965435218
Energy: 1.4188429991268916
Energy: 1.47092444377527
Energy: 1.4712614994952744
Energy: 1.470924443775955
Energy: 1.3972933757035284
Energy: 1.5115127359099316
Energy: 1.3898868522088714
Energy: 1.5115127359106169
Energy: 1.4592711904674946
Energy: 1.6456524559640187
Energy: 1.4005148072856353
Energy: 1.6456524559742949
Energy: 1.3973591343019363
Energy: 1.483081745301118
Energy: 1.6159295761987675
Energy: 1.483081745301118
Energy: 1.5201793787225801
Energy: 1.6755917882621554
Energy: 1.416010442792676
Energy: 1.6755917882621554
Energy: 1.3917078871746393
Energy: 1.4364980555290308
Energy: 1.445888019861146
Energy: 1.4364980555290308
Energy: 1.4675327405115424
Energy: 1.4947995352605956
Energy: 1.422527422441208
Energy: 1.4947995352619659
Energy: 1.4101966555207708
Energy: 1.6602076876785294
Energy: 1.3933643599495786
Energy: 1.6602076876771592
Energy: 1.4545367290836482
Energy: 1.5176531843904646
Energy: 1.4057843879378256
Energy: 1.5176531843904646

minimum gb energy = 1.387896753356316 eV
minimum distance =  2.21227449089008 Angstroms
sigma value = 89


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

Energy: 1.2709014788100652
Energy: 1.271146325555889
Energy: 1.6880273379728319
Energy: 1.271146325555889
Energy: 1.2713350685218403
Energy: 1.3111617005694356
Energy: 1.2927547498548408
Energy: 1.3111617005694356
Energy: 1.2893725887772465
Energy: 1.4888463355726396
Energy: 2.101094235655219
Energy: 1.4888463355726396
Energy: 1.610159137384709
Energy: 1.3112863151692686
Energy: 1.2932334199018074
Energy: 1.3112863151692686
Energy: 1.2888868559722506
Energy: 1.3858347319103894
Energy: 2.0015173698174027
Energy: 1.3858347319103894
Energy: 1.2889879435524743
Energy: 1.271626688644837
Energy: 1.2704453320343658
Energy: 1.271626688644837
Energy: 1.2895315662256783
Energy: 1.489255926874815
Energy: 1.2709066467644703
Energy: 1.489255926874815
Energy: 1.298631812162338
Energy: 1.747033407403215
Energy: 1.2924200991269594
Energy: 1.7470334074050073
Energy: 1.288838405913754
Energy: 1.3859193221459036
Energy: 1.3082535986995627
Energy: 1.3859193221459036
Energy: 1.3109597254989458
Energy: 1.643327494746685
Energy: 1.2888655191752805
Energy: 1.643327494746685
Energy: 1.2705857897930546
Energy: 1.3119731395632037
Energy: 1.2890042723530717
Energy: 1.3119731395632037
Energy: 1.2708266589881028
Energy: 1.484975339887515
Energy: 1.2927253128788612
Energy: 1.484975339887515
Energy: 1.2888946968864785
Energy: 1.2723242854841679
Energy: 1.2946347890728114
Energy: 1.2723242854841679
Energy: 1.2889265264540914
Energy: 1.3817460399057562
Energy: 1.28883077146277
Energy: 1.3817460399057562
Energy: 1.2744329697856112
Energy: 1.2723106372368822
Energy: 1.288919139196746
Energy: 1.2723106372368822

minimum gb energy = 1.2704453320343658 eV
minimum distance =  2.23727023674069 Angstroms
sigma value = 13


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

Energy: 1.2724319895379168
Energy: 1.6692782123249525
Energy: 1.649022968362253
Energy: 1.6692782123249525
Energy: 1.6101935817241069
Energy: 1.6907724762583567
Energy: 1.2293183844594557
Energy: 1.690772476257605
Energy: 1.2393031180596523
Energy: 1.7331008493853048
Energy: 1.4755596015420893
Energy: 1.7331008493853048
Energy: 1.2598309990726446
Energy: 1.690246207502622
Energy: 1.2271748712170194
Energy: 1.6902462075033733
Energy: 1.2461745040488061
Energy: 1.5082254044714212
Energy: 1.3107803844794195
Energy: 1.50822540447067
Energy: 1.2552783330087283
Energy: 1.4829808338830648
Energy: 1.246187099653112
Energy: 1.482980833878557
Energy: 1.2456257766088634
Energy: 1.7017250726467557
Energy: 1.6953756104688333
Energy: 1.7017250726460043
Energy: 1.2712438628680065
Energy: 1.7553519066013814
Energy: 1.2463578536832682
Energy: 1.7553519066013814
Energy: 1.2461775002548783
Energy: 1.7007342468358002
Energy: 1.4323683918729604
Energy: 1.7007342468358002
Energy: 1.4714589029940812
Energy: 1.5290175278165528
Energy: 1.2274242999005558
Energy: 1.5290175277895048
Energy: 1.2460612035072918
Energy: 1.5282237234006912
Energy: 1.257804231710186
Energy: 1.5282237234006912
Energy: 1.615758066236075
Energy: 1.5306166929984875
Energy: 1.2350323278617612
Energy: 1.5306166929984875
Energy: 1.2870881931772953
Energy: 1.4721178552473286
Energy: 1.2663053019386044
Energy: 1.4721178552473286
Energy: 1.6344619806906262
Energy: 1.529770443259428
Energy: 1.2362078260105889
Energy: 1.5297704432556711
Energy: 1.2459202714560855
Energy: 1.738860373697989
Energy: 1.2666993009729468
Energy: 1.738860373697989
Energy: 1.227966740097715
Energy: 1.529167118815026
Energy: 1.2243454606258093
Energy: 1.529167118815026
Energy: 1.2431665913876895
Energy: 1.498771737566363
Energy: 1.2243109029219295
Energy: 1.4987717375633576
Energy: 1.2605429125142376
Energy: 1.6961414343747019
Energy: 1.2422108816457276
Energy: 1.6961414343747019
Energy: 1.2427463635287406
Energy: 1.8062603179944603
Energy: 1.2422828080687962
Energy: 1.8062603179944603
Energy: 1.2426334258790372
Energy: 1.6974472891727583
Energy: 1.2421322526295868
Energy: 1.697447289172007
Energy: 1.2594981654316983
Energy: 1.6959263301714664
Energy: 1.242397952499363
Energy: 1.6959263301707153
Energy: 1.2425116312590294
Energy: 1.499098478997961
Energy: 1.2241698537771961
Energy: 1.4990984790099822
Energy: 1.2281165689489721
Energy: 1.5294451665630535
Energy: 1.2236049536416576
Energy: 1.5294451665630535
Energy: 1.2458540108120355
Energy: 1.7278619490967007
Energy: 1.2639670810678485
Energy: 1.7278619490921925
Energy: 1.635652204184602
Energy: 1.5298646771667064
Energy: 1.2359385211951261
Energy: 1.5298646771667064
Energy: 1.2868211548167257
Energy: 1.4718739200580193
Energy: 1.2637732778382218
Energy: 1.4718739200580193
Energy: 1.6157517291617978
Energy: 1.52982786504783
Energy: 1.235644727170699
Energy: 1.5298278650485815
Energy: 1.2461516036101121
Energy: 1.5278657903909514
Energy: 1.2249093573628154
Energy: 1.5278657903909514
Energy: 1.459086315825199
Energy: 1.5299105376032376
Energy: 1.227388622480329
Energy: 1.529910537508639
Energy: 1.2459622684703955
Energy: 1.7007213021122105
Energy: 1.4340239075879537
Energy: 1.7007213021107075
Energy: 1.2710103746380637
Energy: 1.7557992042254353
Energy: 1.2463081889337506
Energy: 1.755799204224684
Energy: 1.2456574155417544
Energy: 1.7025436539437708
Energy: 1.6262595946422733
Energy: 1.7025436539437708
Energy: 1.256698764317257
Energy: 1.484528893839686
Energy: 1.246165030375288
Energy: 1.4845288938411885
Energy: 1.2457461476586404
Energy: 1.5075614817112748
Energy: 1.6109212953010534
Energy: 1.5075614817097718
Energy: 1.2603341259840073
Energy: 1.6904290785530418
Energy: 1.2272579143424005
Energy: 1.6904290785522906

minimum gb energy = 1.2236049536416576 eV
minimum distance =  2.13966063642523 Angstroms
sigma value = 37


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

Energy: 1.1730987494408083
Energy: 1.172750397665034
Energy: 1.572238144383012
Energy: 1.172750397665034
Energy: 1.2639449767455975
Energy: 1.5062880835711225
Energy: 1.1296921740761134
Energy: 1.5062880835711225
Energy: 1.1387666729216548
Energy: 1.861339840148649
Energy: 1.9511674177539349
Energy: 1.8613398401499415
Energy: 1.1174590230746286
Energy: 1.5061852596330756
Energy: 1.129614177373938
Energy: 1.5061852596330756
Energy: 1.127556712757094
Energy: 1.5054508512393392
Energy: 1.5646300655139065
Energy: 1.505450851240632
Energy: 1.8956086314189866
Energy: 1.5060971328755963
Energy: 1.1217984340586338
Energy: 1.5060971328755963
Energy: 1.1552413531871153
Energy: 1.8662614779647357
Energy: 1.4568913786869064
Energy: 1.8662614779647357
Energy: 1.1275183999025404
Energy: 1.1728914017243335
Energy: 1.1765482696880971
Energy: 1.1728914017243335
Energy: 1.1276560112375336
Energy: 1.5232442011860727
Energy: 1.456419356470203
Energy: 1.5232442011860727
Energy: 1.9493110452748197
Energy: 1.537645011357184
Energy: 1.121753389742932
Energy: 1.537645011357184
Energy: 1.155228964475558
Energy: 1.8600054854967136
Energy: 1.1178548719272354
Energy: 1.8600054854967136
Energy: 1.5123060336532046
Energy: 1.1722385652217306
Energy: 1.1297883509632582
Energy: 1.1722385652217306
Energy: 1.117360429606613
Energy: 1.5232838549402996
Energy: 1.1402652615061795
Energy: 1.523283854939007
Energy: 1.4546046190131225
Energy: 1.861030026685401
Energy: 1.1272477529409934
Energy: 1.861030026685401
Energy: 1.1722996867451967
Energy: 1.2289777041760015
Energy: 1.1274117524105947
Energy: 1.2289777041760015
Energy: 1.1725707805746892
Energy: 1.5235136511627059
Energy: 1.1297535270526993
Energy: 1.5235136511627059
Energy: 1.1173561990525898
Energy: 1.5370738085889255
Energy: 1.13688941187859
Energy: 1.537073808587633
Energy: 1.1176937571685417
Energy: 1.8646294716224543
Energy: 1.127342073185969
Energy: 1.8646294716224543
Energy: 1.127326445412204
Energy: 1.173190678181214
Energy: 1.1274128689298815
Energy: 1.173190678181214
Energy: 1.1275037047698862
Energy: 1.523531254924927
Energy: 1.1175697472285273
Energy: 1.5235312549262194

minimum gb energy = 1.1173561990525898 eV
minimum distance =  2.23383998512136 Angstroms
sigma value = 25


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

Energy: 1.2255388251756707
Energy: 1.6306436928623558
Energy: 1.4803680690204692
Energy: 1.6306436928623558
Energy: 1.452429872597024
Energy: 1.598296473642215
Energy: 1.0296270238970973
Energy: 1.598296473642215
Energy: 1.1621367742699888
Energy: 1.1590028995325745
Energy: 1.5076603542323772
Energy: 1.1590028995325745
Energy: 1.2298757136680831
Energy: 1.4900558486475037
Energy: 1.035812095583159
Energy: 1.4900558486475037
Energy: 1.0477819920688958
Energy: 1.5882621329524425
Energy: 1.1180442150684398
Energy: 1.5882621329524425
Energy: 1.5933410489853228
Energy: 1.582322163078239
Energy: 1.0472469093129693
Energy: 1.582322163078239
Energy: 1.0323813501515433
Energy: 1.3002891181924077
Energy: 1.435089843194521
Energy: 1.3002891181924077
Energy: 1.4860215213973198
Energy: 1.5096272044662642
Energy: 1.1587022219012306
Energy: 1.5096272044662642
Energy: 1.0319829827020823
Energy: 1.598994305904322
Energy: 1.7082307861003865
Energy: 1.598994305904322
Energy: 1.0028692419514713
Energy: 1.5622157203729963
Energy: 1.086572208863007
Energy: 1.5622157203729963
Energy: 1.0325198893154965
Energy: 1.3007523359953443
Energy: 1.51909989314501
Energy: 1.3007523359963535
Energy: 1.3510199056596122
Energy: 1.628631476009845
Energy: 1.1586292714856665
Energy: 1.628631476009845
Energy: 1.0379302331643983
Energy: 1.489853954806178
Energy: 1.392371061609777
Energy: 1.489853954806178
Energy: 1.3364135622845192
Energy: 1.6231164370768414
Energy: 1.0469061956619687
Energy: 1.6231164370768414
Energy: 1.0461386700842745
Energy: 1.4410044251809042
Energy: 1.129390441650009
Energy: 1.4410044251809042
Energy: 1.4435829463209466
Energy: 1.6926572548932124
Energy: 1.030766285078167
Energy: 1.6926572548922028
Energy: 1.1633305067367026
Energy: 1.468128009813353
Energy: 1.0110119658673205
Energy: 1.468128009813353
Energy: 1.4216168104711353
Energy: 1.5886085251597455
Energy: 1.029986745651537
Energy: 1.5886085251597455
Energy: 1.2269998048508968
Energy: 1.6221354067313145
Energy: 1.0045994177494593
Energy: 1.6221354067313145
Energy: 1.6473878746983688
Energy: 1.6503518291966166
Energy: 1.030519010115988
Energy: 1.6503518291966166
Energy: 1.1633339087229349
Energy: 1.6785914986720571
Energy: 1.0138899255383917
Energy: 1.6785914986720571
Energy: 1.1577433451872257
Energy: 1.4889236700546704
Energy: 1.0399696752580974
Energy: 1.4889236700546704
Energy: 1.0460736127389305
Energy: 1.62137071305398
Energy: 1.3377604240013086
Energy: 1.62137071305398
Energy: 1.1291966806641105
Energy: 1.6357275998077516
Energy: 1.0463755144445395
Energy: 1.6357275998077516
Energy: 1.0301432281202365
Energy: 1.6777178002971294
Energy: 1.44344845988647
Energy: 1.67771780029612
Energy: 1.0111842826255946
Energy: 1.4761178147838632
Energy: 1.1578027781860258
Energy: 1.4761178147838632

minimum gb energy = 1.0028692419514713 eV
minimum distance =  2.15040667493683 Angstroms
sigma value = 41


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

Energy: 1.3627925354219135
Energy: 1.411528807082361
Energy: 1.3974437967888802
Energy: 1.4115288070815337
Energy: 1.3919339401211046
Energy: 1.392561261461013
Energy: 0.9247913361187123
Energy: 1.3925612614601854
Energy: 0.9523214105434411
Energy: 1.3810204663624148
Energy: 1.6665576710847891
Energy: 1.38102046636076
Energy: 1.191054212179776
Energy: 1.3940696839246225
Energy: 0.9247531163322396
Energy: 1.3940696839246225
Energy: 0.9183606137618634
Energy: 1.4317096314435125
Energy: 0.9969705756515941
Energy: 1.4317096314435125
Energy: 0.990666417971874
Energy: 1.393149165585341
Energy: 0.9245697898836466
Energy: 1.3931491655861685
Energy: 0.9234078018583877
Energy: 1.3932617639454374
Energy: 1.1722394823492357
Energy: 1.3932617639454374
Energy: 1.3928031789704518
Energy: 1.1859363307849151
Energy: 0.9196729518962274
Energy: 1.1859363307849151
Energy: 0.9284188246731272
Energy: 1.4816515291187324
Energy: 1.4550407212811418
Energy: 1.4816515291187324
Energy: 1.78379289091708
Energy: 1.3823068699983514
Energy: 0.953646885231535
Energy: 1.3823068699983514
Energy: 0.9235336811126271
Energy: 1.3934555397782953
Energy: 1.5180736740796517
Energy: 1.3934555397774677
Energy: 0.909804337345534
Energy: 1.411854955725575
Energy: 1.343644537987283
Energy: 1.411854955725575
Energy: 0.9283863277188639
Energy: 1.4827527601893709
Energy: 1.5977427448646402
Energy: 1.4827527601893709
Energy: 1.664421477039334
Energy: 1.539680315296916
Energy: 0.953587903738722
Energy: 1.5396803152977436
Energy: 0.9235823155800948
Energy: 1.3930871099056854
Energy: 1.3317405708640828
Energy: 1.3930871099056854
Energy: 1.650836156649543
Energy: 1.414641824971122
Energy: 0.91967968500187
Energy: 1.414641824971122
Energy: 0.9283484293182428
Energy: 1.482495699017723
Energy: 1.123949518768025
Energy: 1.4824956990168954
Energy: 1.1856630110564048
Energy: 1.5403112058991977
Energy: 0.9245816328803033
Energy: 1.5403112058991977
Energy: 0.9234596488083497
Energy: 1.1855607610575032
Energy: 0.9054608609493906
Energy: 1.1855607610575032
Energy: 1.1740265938262207
Energy: 1.480085727404322
Energy: 0.927884558529228
Energy: 1.480085727404322
Energy: 0.9571316290768345
Energy: 1.4823769809415468
Energy: 0.9137453153149507
Energy: 1.482376980940719
Energy: 1.5087815824110051
Energy: 1.5584546838724063
Energy: 0.9246956226219375
Energy: 1.5584546838724063
Energy: 1.343301876324947
Energy: 1.40795718954496
Energy: 0.9096112752544881
Energy: 1.40795718954496
Energy: 1.3431896406655874
Energy: 1.4808693783630111
Energy: 0.9278483471466107
Energy: 1.4808693783630111
Energy: 0.9572218723806245
Energy: 1.545249256701875
Energy: 0.9120407647697764
Energy: 1.5452492567027023
Energy: 1.3237747602725911
Energy: 1.5595524413545525
Energy: 0.9247228268553559
Energy: 1.55955244135538
Energy: 0.9236336040827429
Energy: 1.4784388532941104
Energy: 1.186675768679489
Energy: 1.4784388532932826
Energy: 0.9187813791593133
Energy: 1.480261303539941
Energy: 0.9281530717221831
Energy: 1.4802613035407683
Energy: 0.9284542316136968
Energy: 1.542869326689662
Energy: 1.1854340099347902
Energy: 1.542869326689662
Energy: 0.9051047400157611
Energy: 1.5262735577660984
Energy: 0.9295525590886206
Energy: 1.5262735577652708
Energy: 0.9237951240353128
Energy: 1.4780795801354965
Energy: 1.1736502643944358
Energy: 1.4780795801346691
Energy: 0.9099221634416969
Energy: 1.4798100978832962
Energy: 0.963062009620921
Energy: 1.4798100978832962

minimum gb energy = 0.9051047400157611 eV
minimum distance =  2.13398477211105 Angstroms
sigma value = 15


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

Energy: 1.3281969296564684
Energy: 1.4245980349732161
Energy: 1.3399122304508877
Energy: 1.4245980349732161
Energy: 1.458899295251837
Energy: 1.3399818472974847
Energy: 0.8639524606642023
Energy: 1.3399818472967837
Energy: 0.9843929253176751
Energy: 1.304496099629797
Energy: 1.07771844812228
Energy: 1.304496099629797
Energy: 1.3291271679302
Energy: 1.31530563210238
Energy: 0.8636324490108055
Energy: 1.3153056321030807
Energy: 0.9537860399122422
Energy: 1.3495233856005509
Energy: 0.909574206096436
Energy: 1.3495233855998499
Energy: 1.159064741877648
Energy: 1.3348520248531404
Energy: 0.8646554721747373
Energy: 1.3348520248524394
Energy: 0.8713866839307821
Energy: 1.271587326567879
Energy: 1.150472167910715
Energy: 1.271587326567879
Energy: 0.9884345185648763
Energy: 1.2740743013364384
Energy: 0.8730009335248542
Energy: 1.2740743013364384
Energy: 0.8661774620342679
Energy: 1.4197586895575545
Energy: 1.4166401328136415
Energy: 1.4197586895575545
Energy: 1.4229035016662446
Energy: 1.3781974906205356
Energy: 0.951287023935961
Energy: 1.3781974906212369
Energy: 0.8629513189993987
Energy: 1.3350621466477712
Energy: 1.4786510713193517
Energy: 1.3350621466477712
Energy: 1.3409791467841685
Energy: 1.3151619626538231
Energy: 0.9846130066915194
Energy: 1.3151619626538231
Energy: 0.8661116805422286
Energy: 1.441515274975897
Energy: 1.585251948389397
Energy: 1.441515274975897
Energy: 0.8370917264874883
Energy: 1.4094002445000442
Energy: 1.2207496653398375
Energy: 1.4094002445000442
Energy: 0.8629348114369693
Energy: 1.3383583999242645
Energy: 1.5218430954017297
Energy: 1.3383583999242645
Energy: 1.0740384590708951
Energy: 1.30699699539092
Energy: 0.9847446289052251
Energy: 1.3069969953888168
Energy: 0.8661876910626705
Energy: 1.4041323618018042
Energy: 1.4366012109224133
Energy: 1.4041323618025054
Energy: 1.0758347259077308
Energy: 1.4208005429253245
Energy: 0.9511647459408951
Energy: 1.4208005429246235
Energy: 0.8652837718571197
Energy: 1.3339809200973338
Energy: 1.2821125741347328
Energy: 1.3339809200973338
Energy: 1.152131385941005
Energy: 1.3278334740145918
Energy: 0.8730426886296049
Energy: 1.3278334740138908
Energy: 0.8762954564767951
Energy: 1.3633299392424159
Energy: 1.1904757725634794
Energy: 1.363329939243117
Energy: 1.1639268824055735
Energy: 1.4151525508887446
Energy: 0.8700922879947891
Energy: 1.4151525508887446
Energy: 0.9525382281068496
Energy: 1.3784043019928942
Energy: 0.9209577836580012
Energy: 1.3784043019921932
Energy: 1.4783852140412592
Energy: 1.3299898410797515
Energy: 0.8638141201557743
Energy: 1.3299898410797515
Energy: 0.9862981812433763
Energy: 1.4074332728580417
Energy: 0.8393960436664408
Energy: 1.4074332728580417
Energy: 1.4540705907195364
Energy: 1.4173465842832367
Energy: 0.8698099817756558
Energy: 1.4173465842832367
Energy: 1.3127412413342239
Energy: 1.4189849042014027
Energy: 0.8360192926466286
Energy: 1.4189849042014027
Energy: 1.5901788940172252
Energy: 1.3335366536412245
Energy: 0.8638546419557662
Energy: 1.3335366536419255
Energy: 0.9860487168328576
Energy: 1.444320242353397
Energy: 0.8401116564439565
Energy: 1.444320242353397
Energy: 1.2879852468277853
Energy: 1.400926764533948
Energy: 0.8698245637893016
Energy: 1.400926764533948
Energy: 0.9527829902957592
Energy: 1.4182476279131881
Energy: 1.0759086601977796
Energy: 1.4182476279124874
Energy: 1.275355751483697
Energy: 1.342663850534974
Energy: 0.8678018085630462
Energy: 1.342663850535675
Energy: 0.8760985880465735
Energy: 1.4502182094969835
Energy: 1.1594123495592947
Energy: 1.4502182094969835
Energy: 0.9296788302865422
Energy: 1.3621061554423506
Energy: 0.8806749600104715
Energy: 1.3621061554416496
Energy: 0.8572182059635256
Energy: 1.4193783502937258
Energy: 1.1622535228623014
Energy: 1.4193783502937258
Energy: 0.9210308762597957
Energy: 1.373035520926846
Energy: 0.9560088308195701
Energy: 1.373035520926846
Energy: 0.8661093245313265
Energy: 1.4507293398776018
Energy: 1.4884855055195187
Energy: 1.450729339878303

minimum gb energy = 0.8360192926466286 eV
minimum distance =  2.22974692047674 Angstroms
sigma value = 85


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

Energy: 1.150379297270108
Energy: 1.317865208010009
Energy: 1.3612957409498754
Energy: 1.317865208010009
Energy: 1.4487795506570886
Energy: 1.2443316371882214
Energy: 0.7926133979740452
Energy: 1.2443316371882214
Energy: 1.1155797411377988
Energy: 1.1035629039952075
Energy: 1.4641001268368947
Energy: 1.103562903991559
Energy: 1.3061381823301068
Energy: 1.2442839839367799
Energy: 0.7925532454616907
Energy: 1.2442839839361717
Energy: 0.8305080705348996
Energy: 1.135689028396032
Energy: 1.2673669509286054
Energy: 1.1356890283966399
Energy: 1.1631892387123308
Energy: 1.2208926273808658
Energy: 0.7924525092613034
Energy: 1.2208926273808658
Energy: 0.7884117263881542
Energy: 1.1246087368372837
Energy: 0.9550534596934797
Energy: 1.1246087368372837
Energy: 1.0198589636772784
Energy: 1.2418260774741499
Energy: 0.7925692721087987
Energy: 1.2418260774741499
Energy: 0.7917150488426649
Energy: 1.1508446139210569
Energy: 1.1116468967642066
Energy: 1.1508446139210569
Energy: 0.8765270967490892
Energy: 1.1249738731935055
Energy: 0.7892178639905435
Energy: 1.1249738731922896
Energy: 0.7918559482947706
Energy: 1.245389023133114
Energy: 1.2577182992918736
Energy: 1.245389023133114
Energy: 1.2673426157159735
Energy: 1.242504502035417
Energy: 0.8313709239458825
Energy: 1.2425045020360255
Energy: 0.7918000443839449
Energy: 1.085846333213221
Energy: 1.3636583340523065
Energy: 1.0858463332113972
Energy: 1.4584890682127778
Energy: 1.1035561536373388
Energy: 1.109490270855525
Energy: 1.1035561536367307
Energy: 0.7919514308550646
Energy: 1.244385855336569
Energy: 1.488901862741842
Energy: 1.244385855336569
Energy: 0.7535380574630802
Energy: 1.3057990948870994
Energy: 1.155448994831183
Energy: 1.3057990948870994
Energy: 0.7919603040532863
Energy: 1.1514516298546904
Energy: 1.4881187898747754
Energy: 1.1514516298552984
Energy: 1.465602753388324
Energy: 1.1036712022275688
Energy: 1.1095283592249554
Energy: 1.1036712022263528
Energy: 0.7920968052913551
Energy: 1.2447134207096333
Energy: 1.3560105789829735
Energy: 1.2447134207096333
Energy: 1.4578683340718663
Energy: 1.4033047621733188
Energy: 0.8314328221918844
Energy: 1.4033047621733188
Energy: 0.7915707870180771
Energy: 1.1512317533058753
Energy: 1.2019457455887226
Energy: 1.1512317533058753
Energy: 0.9554014293644492
Energy: 1.164924336338198
Energy: 0.7892702002923532
Energy: 1.164924336338198
Energy: 0.7925608657522538
Energy: 1.241933825415075
Energy: 1.064950495635638
Energy: 1.241933825415075
Energy: 0.9675566515108939
Energy: 1.3298335413035645
Energy: 0.7926013732177019
Energy: 1.3298335413035645
Energy: 0.7917378021599806
Energy: 0.9668801246130505
Energy: 0.91386972807366
Energy: 0.9668801246130505
Energy: 1.2571701587823774
Energy: 1.2421840593422413
Energy: 0.7932607590523174
Energy: 1.2421840593422413
Energy: 0.8337330142364159
Energy: 1.242364384627929
Energy: 0.7519626320406625
Energy: 1.242364384626713
Energy: 1.253209353751498
Energy: 1.3290814808072697
Energy: 0.7925748959578778
Energy: 1.3290814808078775
Energy: 1.1029334583898283
Energy: 1.1036507199136887
Energy: 0.7578792074000388
Energy: 1.1036507199136887
Energy: 1.488984558708871
Energy: 1.2447501335926787
Energy: 0.7916566744373117
Energy: 1.2447501335920708
Energy: 1.1493290022741338
Energy: 1.3051527100469165
Energy: 0.7552425741174337
Energy: 1.3051527100469165
Energy: 1.3815480765805295
Energy: 1.3291057266562825
Energy: 0.7926834951564681
Energy: 1.3291057266562825
Energy: 1.1028881956964762
Energy: 1.1030276611969971
Energy: 0.7590016202697075
Energy: 1.1030276611957812
Energy: 1.3564171608174813
Energy: 1.245035965024163
Energy: 0.7916414354800811
Energy: 1.245035965024163
Energy: 0.8335837892994785
Energy: 1.3284040185293
Energy: 0.9626065841645285
Energy: 1.3284040185293
Energy: 1.0714923180013702
Energy: 1.328307427288103
Energy: 0.7924680901623924
Energy: 1.328307427288103
Energy: 0.7919245963583468
Energy: 1.1278491707769658
Energy: 0.959169777240169
Energy: 1.1278491707769658
Energy: 1.0654267318728894
Energy: 1.2415904417260648
Energy: 0.7931287413225081
Energy: 1.2415904417266728
Energy: 0.7925393350215597
Energy: 1.327739571425406
Energy: 0.9666423003632182
Energy: 1.327739571425406
Energy: 0.761977260363547
Energy: 1.2657609063634794
Energy: 0.7884029048454622
Energy: 1.265760906362263
Energy: 0.7916128059236417
Energy: 1.212447733926426
Energy: 1.2574864747623347
Energy: 1.212447733926426
Energy: 0.7518419634185114
Energy: 1.2413773268152462
Energy: 0.8305979521327581
Energy: 1.2413773268152462
Energy: 0.7918569677725122
Energy: 1.3276664429815563
Energy: 1.2544532520563818
Energy: 1.3276664429821643

minimum gb energy = 0.7518419634185114 eV
minimum distance =  2.2407432292938 Angstroms
sigma value = 113


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

Energy: 0.02051692716126497
Energy: 0.021419582620542863
Energy: 1.1176042408303377
Energy: 0.021419582620542863
Energy: 1.118011652081269
Energy: 0.4350018733107284
Energy: 0.4351663128239458
Energy: 0.4350018733111958
Energy: 0.02051692716126497
Energy: 0.021419582620542863
Energy: 1.117611232771274
Energy: 0.021419582620542863
Energy: 1.118011652081269
Energy: 0.4350018733107284
Energy: 0.43516631848205156
Energy: 0.4350018733111958
Energy: 0.02051692716126497
Energy: 0.021419582620542863
Energy: 1.1176333077718028
Energy: 0.021419582620542863
Energy: 1.1180116520817365
Energy: 0.4350018733111958
Energy: 0.43516630939098383
Energy: 0.4350018733111958

minimum gb energy = 0.02051692716126497 eV
minimum distance =  2.4840883002249 Angstroms
sigma value = 1