Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
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=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9900956406240796e-19, 2.7580509448329597e-19, 3.34467189760572e-19, 3.8233862540785794e-19, 4.2264778734266397e-19, 4.57299663582816e-19, 4.877330087456459e-19, 5.144044431718439e-19, 5.3788273956648e-19, 5.58610098680538e-19, 5.76916568900622e-19, 5.93048885428368e-19, 6.07218535579464e-19, 6.19606565313552e-19, 6.30483742481778e-19, 6.3988531497009e-19, 6.47894595963456e-19, 6.54604511706648e-19, 6.600983753846339e-19, 6.64457898005748e-19, 6.67806447170808e-19, 6.70137614173278e-19, 6.715026686654459e-19, 6.71948073769698e-19, 6.71467420779498e-19, 6.699133094445179e-19, 6.6713833951443e-19, 6.62889367081062e-19, 6.56865182937222e-19, 6.487277278131359e-19, 6.38070048843768e-19, 6.24449945278134e-19, 6.07255385642046e-19, 5.85706109914746e-19, 5.58874457825148e-19, 5.25860006104944e-19, 4.850926216528139e-19, 4.34644885978056e-19, 3.7214878201561796e-19, 2.9451050668524597e-19, 1.9781754464671198e-19, 7.67005213464918e-20, -7.62922867401486e-20, -2.71322204261364e-19, -5.22400906752138e-19, -8.503568506721339e-19, -1.285544874529116e-18, -1.87523559773262e-18, -2.69457270659388e-18, -3.87000959412798e-18, -5.6260432502909996e-18, -8.3936431678626e-18, -1.3095887392755539e-17, -2.2005735850326596e-17]
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: 0.01698966558558
Energy: 0.1924901940869957
Energy: 1.592085689542767
Energy: 0.19249019408761786
Energy: 0.19249019408571474
Energy: 1.795198312432278
Energy: 0.19249019408571474
Energy: 1.795198312430997
Energy: 1.5920856895633722
Energy: 0.19249019408761786
Energy: 0.01698966558558
Energy: 0.19249019408761786
Energy: 0.19249019408761786
Energy: 1.795198312443221
Energy: 0.19249019408571474
Energy: 1.7951983124290571

minimum gb energy = 0.01698966558558 eV
minimum distance =  2.42042905275477 Angstroms
sigma value = 1


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

Energy: 2.8362822077562466
Energy: 1.6833135644667099
Energy: 1.6841450103326452
Energy: 1.683313564464313
Energy: 1.675146860210595
Energy: 1.7489178455797083
Energy: 1.6746706292962668
Energy: 1.748917845584502
Energy: 1.6775117871552296
Energy: 1.676207869232327
Energy: 1.6823056610426934
Energy: 1.6762078692339253
Energy: 1.6719553468003496
Energy: 1.6914459315863768
Energy: 1.6743790999714536
Energy: 1.69144593158398
Energy: 1.7636060646743592
Energy: 1.6907274290130525
Energy: 1.6755581528150227
Energy: 1.6907274290138512
Energy: 1.6708232929331241
Energy: 1.8882239263705056
Energy: 1.6816041705090852
Energy: 1.8882239263673097
Energy: 1.671124146742176
Energy: 1.8694794795200291
Energy: 1.7638285298101797
Energy: 1.8694794795200291
Energy: 1.768219361963972
Energy: 1.9566033909226654
Energy: 1.683015663192844
Energy: 1.9566033909250622
Energy: 1.6751330571753043
Energy: 1.9553058601918973
Energy: 1.6736689630823807
Energy: 1.9553058601934952
Energy: 1.7681588270424529
Energy: 1.7986984493192681
Energy: 1.7694084650074562
Energy: 1.7986984493176699
Energy: 1.757068597350495
Energy: 1.9546476628130864
Energy: 1.6744614907360642
Energy: 1.9546476628138854
Energy: 1.7665362300513245
Energy: 1.952286657215766
Energy: 1.6834766140917243
Energy: 1.952286657216565
Energy: 1.670721626743759
Energy: 1.8845512339539168
Energy: 1.7640548852430842
Energy: 1.8845512339547157
Energy: 1.6704137412124225
Energy: 1.8735532595016622
Energy: 1.7596287021833388
Energy: 1.8735532595000641
Energy: 1.7645812049300387
Energy: 1.6914297978091515
Energy: 1.674811152828912
Energy: 1.6914297978051565
Energy: 1.5854934038855852
Energy: 1.6982451879946323
Energy: 1.6744313405402291
Energy: 1.6982451879962306
Energy: 1.6762995719527451
Energy: 1.6747193571707628
Energy: 1.5847209981965553
Energy: 1.6747193571723606
Energy: 1.674318570720813
Energy: 1.677816454411218
Energy: 1.7628239237610246
Energy: 1.6778164544096201
Energy: 1.68186773857296
Energy: 1.6811484866079913
Energy: 1.681463894176935
Energy: 1.6811484866055943
Energy: 1.6806737099678637
Energy: 1.6779679297900352
Energy: 1.6713854105539507
Energy: 1.6779679297876382
Energy: 1.6769257083165987
Energy: 1.6753051626808477
Energy: 1.7638167151961992
Energy: 1.675305162678451
Energy: 1.6737894780452036
Energy: 1.6764583351907905
Energy: 1.6708716401384767
Energy: 1.6764583351923887
Energy: 1.7636651219352968
Energy: 1.8716657033976378
Energy: 1.6705105842309202
Energy: 1.871665703398437
Energy: 1.6826928131401961
Energy: 1.8648349321331106
Energy: 1.671888959851827
Energy: 1.8648349321307138
Energy: 1.6739164902535937
Energy: 1.9554843056174638
Energy: 1.675278955352263
Energy: 1.9554843056182627
Energy: 1.7705222038376678
Energy: 1.9522986124697206
Energy: 1.770473692676123
Energy: 1.9522986124713189
Energy: 1.6738507418728672
Energy: 1.9545986493226815
Energy: 1.7564076728054627
Energy: 1.9545986493234804
Energy: 1.6838420378520664
Energy: 1.9527155346486116
Energy: 1.7633142905228358
Energy: 1.9527155346494107
Energy: 1.764427921182911
Energy: 1.8835057581120795
Energy: 1.6709237946398572
Energy: 1.8835057581136774
Energy: 1.7656500685817833
Energy: 1.8692450473078135
Energy: 1.6708703187568732
Energy: 1.8692450473078135
Energy: 1.6893864156036063
Energy: 1.6784480463157603
Energy: 1.7647255853809303
Energy: 1.6784480463173583
Energy: 1.6741320905733028
Energy: 1.6819910215022431
Energy: 1.5849051307586575
Energy: 1.6819910215006453
Energy: 1.5847725184761958
Energy: 1.674476323566488
Energy: 1.6743437871165157
Energy: 1.6744763235712814

minimum gb energy = 1.5847209981965553 eV
minimum distance =  2.24105678181674 Angstroms
sigma value = 1


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

Energy: 2.009621628168128
Energy: 1.802943224948641
Energy: 1.8057164941625676
Energy: 1.802943224948641
Energy: 1.8014153202036918
Energy: 1.8692411528435393
Energy: 1.8023154939620647
Energy: 1.8692411528408064
Energy: 1.7953423928810808
Energy: 1.7950843729146988
Energy: 1.8021531625316256
Energy: 1.7950843729128767
Energy: 1.7936021657210366
Energy: 1.7934662051087598
Energy: 1.8014596060913595
Energy: 1.793466205106027
Energy: 1.8019109776381166
Energy: 1.798272244516514
Energy: 1.7955838497747003
Energy: 1.7982722445146921
Energy: 1.7925554490041784
Energy: 2.038923192074216
Energy: 1.8018810737205062
Energy: 2.0389231920815036
Energy: 1.7907777632805708
Energy: 2.0203664701461297
Energy: 1.8005122174494033
Energy: 2.020366470159794
Energy: 1.7919550437165999
Energy: 2.013802318390069
Energy: 1.8011555894813494
Energy: 2.013802318390069
Energy: 1.8033718087514088
Energy: 2.093033820341632
Energy: 1.6954471137671103
Energy: 2.093033820340721
Energy: 1.8034481785169716
Energy: 2.0917267659856202
Energy: 1.8969830931832707
Energy: 2.091726765981976
Energy: 1.8911293542658596
Energy: 2.0367472183503628
Energy: 1.7902937796906246
Energy: 2.0367472183467186
Energy: 1.8920065605619032
Energy: 2.016486080078179
Energy: 1.7920350035197619
Energy: 2.016486080077268
Energy: 1.7964037624677156
Energy: 1.8176194024002579
Energy: 1.8915596792076839
Energy: 1.8176194024066348
Energy: 1.7955479672155468
Energy: 1.7918375336045298
Energy: 1.6911122769438753
Energy: 1.7918375336072627
Energy: 1.691123139761502
Energy: 1.793487136820391
Energy: 1.7960218254592906
Energy: 1.7934871368140144
Energy: 1.892580721011818
Energy: 1.796939781796858
Energy: 1.8011274368663668
Energy: 1.796939781797769
Energy: 1.8019209093002044
Energy: 1.7934069358286517
Energy: 1.8025761419595114
Energy: 1.7934069358286517
Energy: 1.7940360072155073
Energy: 1.7964696051320037
Energy: 1.8030175124670154
Energy: 1.796469605126538
Energy: 1.8015685324800672
Energy: 1.7937051954499255
Energy: 1.7971249346687708
Energy: 1.7937051954481034
Energy: 1.7924556525963227
Energy: 1.79325855270483
Energy: 1.7958009553259742
Energy: 1.79325855270483
Energy: 1.790004291620088
Energy: 2.0169377835090647
Energy: 1.8001658014485868
Energy: 2.016937783512708
Energy: 1.7915258603141875
Energy: 2.0169755772510194
Energy: 1.801286098155914
Energy: 2.0169755772528415
Energy: 1.8029200989512055
Energy: 2.0930593886280575
Energy: 1.697034505464016
Energy: 2.093059388632612
Energy: 1.8026468666133417
Energy: 2.091328879242444
Energy: 1.7975711050218188
Energy: 2.091328879244266
Energy: 1.8871173372255934
Energy: 2.0358764850037994
Energy: 1.7904641878974374
Energy: 2.0358764850047097
Energy: 1.8922524681121808
Energy: 2.01662064261589
Energy: 1.789980204565209
Energy: 2.0166206426113353
Energy: 1.8152285671216077
Energy: 1.7983973708795133
Energy: 1.891590399252296
Energy: 1.7983973708795133
Energy: 1.7967135097469307
Energy: 1.7973915752766816
Energy: 1.6909184822764751
Energy: 1.7973915752803256
Energy: 1.6910147416734889
Energy: 1.7931351521801489
Energy: 1.7932790310021414
Energy: 1.79313515218106

minimum gb energy = 1.6909184822764751 eV
minimum distance =  2.24141821360862 Angstroms
sigma value = 25


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

Energy: 2.1562197374523757
Energy: 1.9600341734316808
Energy: 1.9612267394409109
Energy: 1.9600341734316808
Energy: 1.956871482583803
Energy: 2.0202260074110185
Energy: 1.9584285076086314
Energy: 2.0202260074141956
Energy: 1.9451348550075565
Energy: 1.9467827122268309
Energy: 1.8854890248694915
Energy: 1.94678271222789
Energy: 1.9453218949393543
Energy: 2.098831799106263
Energy: 1.95332896979304
Energy: 2.0988317991083814
Energy: 1.890179378545644
Energy: 1.9809534242548876
Energy: 1.9502218758253227
Energy: 1.9809534242570055
Energy: 1.8310287758435362
Energy: 2.2268013482677547
Energy: 1.9531783446914694
Energy: 2.2268013482677547
Energy: 2.022742424996296
Energy: 2.209556280114813
Energy: 1.8783682089990488
Energy: 2.2095562801126953
Energy: 2.0203443045183263
Energy: 2.1971135598905973
Energy: 1.9533372186856968
Energy: 2.197113559893774
Energy: 1.8304283574122893
Energy: 2.197567241216939
Energy: 1.9014222981144073
Energy: 2.1975672412148217
Energy: 1.8303262689224113
Energy: 2.2003175452515333
Energy: 1.9343308749892696
Energy: 2.2003175452525925
Energy: 1.8742197400566094
Energy: 2.0461676306369365
Energy: 2.045281084156278
Energy: 2.0461676306369365
Energy: 1.8738751400317761
Energy: 2.088998876206077
Energy: 2.0396394147627124
Energy: 2.088998876208195
Energy: 1.8304102227760775
Energy: 1.8131528288782375
Energy: 1.8127992913202875
Energy: 1.8131528288782375
Energy: 1.8301246144821222
Energy: 1.813375769368844
Energy: 2.040303759917223
Energy: 1.813375769369903
Energy: 1.8853972748770471
Energy: 2.0473977451901613
Energy: 2.0436636294269004
Energy: 2.047397745188044
Energy: 1.9957925691968632
Energy: 1.9472980840458918
Energy: 2.0483971687669094
Energy: 1.9472980840448328
Energy: 1.8314119201112327
Energy: 1.9784120300455112
Energy: 1.8901114388778075
Energy: 1.9784120300465704
Energy: 1.8316559317248835
Energy: 1.9779608037457221
Energy: 1.9409320325782429
Energy: 1.9779608037425453
Energy: 1.8782257604176826
Energy: 2.2060809327034625
Energy: 2.059823905077398
Energy: 2.2060809327045217
Energy: 1.9090733750184445
Energy: 2.20469649210368
Energy: 2.06031237195447
Energy: 2.20469649210368
Energy: 1.898384805405572
Energy: 2.229950226159176
Energy: 1.941660992111882
Energy: 2.229950226158117
Energy: 1.8986177672000013
Energy: 2.2295955126589035
Energy: 1.9419843799217125
Energy: 2.2295955126589035
Energy: 1.9518792673110097
Energy: 1.9793415766647966
Energy: 1.8739805840356065
Energy: 1.9793415766679252
Energy: 1.8572522109253637
Energy: 1.9519223249851336
Energy: 1.87352487641081
Energy: 1.9519223249830158
Energy: 1.8752057781219678
Energy: 1.9459842213128535
Energy: 1.9466152938115882
Energy: 1.9459842213086176

minimum gb energy = 1.8127992913202875 eV
minimum distance =  2.23756500482119 Angstroms
sigma value = 9


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

Energy: 2.8690694398410375
Energy: 2.0879964565269944
Energy: 2.107104097840385
Energy: 2.0879964565269944
Energy: 2.1064074443971332
Energy: 2.1596040030542762
Energy: 2.106453305664079
Energy: 2.1596040030568027
Energy: 2.0872297216108624
Energy: 2.089171211257766
Energy: 2.1072379462316735
Energy: 2.0891712112590293
Energy: 2.0875607458803773
Energy: 2.158844127378705
Energy: 2.103170509470858
Energy: 2.158844127377442
Energy: 2.0978688931687417
Energy: 2.1460217982956444
Energy: 2.101854485622637
Energy: 2.1460217982969083
Energy: 2.084656786027732
Energy: 2.2251049488662993
Energy: 2.103746217849299
Energy: 2.2251049488662993
Energy: 2.2144063010888315
Energy: 2.425633703889878
Energy: 2.103141576131445
Energy: 2.4256337038886144
Energy: 2.103634741914153
Energy: 2.387402474822539
Energy: 2.1049617681505417
Energy: 2.3874024748238023
Energy: 2.1041794767797244
Energy: 2.146087138748035
Energy: 1.947468270111693
Energy: 2.146087138748035
Energy: 2.1031913155871274
Energy: 2.104664669626934
Energy: 1.9475043141837571
Energy: 2.104664669630724
Energy: 1.9469256627127969
Energy: 2.0876665920488318
Energy: 2.087502788097198
Energy: 2.087666592047569
Energy: 2.222790511071708
Energy: 2.084277261002969
Energy: 2.1062436492440453
Energy: 2.0842772610004423
Energy: 2.106361569345179
Energy: 2.0877665130920446
Energy: 2.107400236671088
Energy: 2.0877665130907817
Energy: 2.0872087562798582
Energy: 2.083960406835576
Energy: 2.0882159830188582
Energy: 2.0839604068343127
Energy: 2.097891797416683
Energy: 2.0831249523759103
Energy: 2.1034413033774992
Energy: 2.0831249523784368
Energy: 2.0843014253656005
Energy: 2.1060370258084053
Energy: 2.1025040639056165
Energy: 2.1060370258084053
Energy: 2.2136500136048993
Energy: 2.4311796697868924
Energy: 2.103322218393756
Energy: 2.4311796697868924
Energy: 2.213835947035212
Energy: 2.4311197318214703
Energy: 2.10368290266659
Energy: 2.4311197318239963
Energy: 2.104573488391507
Energy: 2.105147768420991
Energy: 1.947537949813876
Energy: 2.10514776842857
Energy: 2.1033642370411667
Energy: 2.10432387216658
Energy: 1.9475028136610029
Energy: 2.10432387216658
Energy: 1.9459617184872307
Energy: 2.087741853604281
Energy: 2.0864183341048492
Energy: 2.087741853604281

minimum gb energy = 1.9459617184872307 eV
minimum distance =  2.24041925627564 Angstroms
sigma value = 25


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

Energy: 2.5794563566213093
Energy: 2.2711184555838515
Energy: 2.302739091284314
Energy: 2.2711184555838515
Energy: 2.292392783576508
Energy: 2.2555186634515745
Energy: 2.292469927640515
Energy: 2.2555186634515745
Energy: 2.271884886093839
Energy: 2.271932078998146
Energy: 2.2915101080241405
Energy: 2.271932078998146
Energy: 2.269877767632274
Energy: 2.256813657060779
Energy: 2.1539217754047812
Energy: 2.2568136570623407
Energy: 2.145534485051862
Energy: 2.1559735470713273
Energy: 2.1535587026392697
Energy: 2.1559735470744514
Energy: 2.1054426095776058
Energy: 2.4119875162848308
Energy: 2.1508010299415887
Energy: 2.4119875162848308
Energy: 2.0971674957170907
Energy: 2.352667864791431
Energy: 2.1542286262499957
Energy: 2.352667864791431
Energy: 2.096755273128862
Energy: 2.2588295002702687
Energy: 2.1535785250403543
Energy: 2.258829500271831
Energy: 2.270341335324706
Energy: 2.2701713902142733
Energy: 2.4301304079164727
Energy: 2.270171390215835
Energy: 2.29330323340072
Energy: 2.1069037350340487
Energy: 2.4242713940524423
Energy: 2.1069037350340487
Energy: 2.291084372032495
Energy: 2.2711828780664725
Energy: 2.2923293110776535
Energy: 2.2711828780680348
Energy: 2.2684576692261555
Energy: 2.1066195091503306
Energy: 2.2715028903141903
Energy: 2.106619509151893
Energy: 2.1517447393057556
Energy: 2.41293203342101
Energy: 2.1458619500421134
Energy: 2.4129320334225723
Energy: 2.1536352546809674
Energy: 2.157106473562687
Energy: 2.107635712746119
Energy: 2.15710647327537
Energy: 2.153667172058311
Energy: 2.386796652396099
Energy: 2.09716175461526
Energy: 2.386796652396099
Energy: 2.152640131445234
Energy: 2.3869224860892766
Energy: 2.097342537898533
Energy: 2.3869224860877147
Energy: 2.42667307139471
Energy: 2.26960900687191
Energy: 2.268293465965848
Energy: 2.26960900687191

minimum gb energy = 2.096755273128862 eV
minimum distance =  2.23864507306075 Angstroms
sigma value = 17


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

Energy: 3.40448512486484
Energy: 2.4906566187757733
Energy: 2.4938515485323043
Energy: 2.4906566187757733
Energy: 2.197291724625151
Energy: 2.1970017269359725
Energy: 2.371537312370904
Energy: 2.197001726938627
Energy: 2.247715154280025
Energy: 2.2472862816272468
Energy: 2.47170845364632
Energy: 2.247286281629017
Energy: 2.2478078992890476
Energy: 2.4270801148847383
Energy: 2.2446594041054357
Energy: 2.4270801148838532
Energy: 2.2478545186452195
Energy: 2.3684672731649026
Energy: 2.1605282269824913
Energy: 2.3684672731649026
Energy: 2.245331312176362
Energy: 2.285059799148305
Energy: 2.2472434128234635
Energy: 2.285059799148305
Energy: 2.3260137330060964
Energy: 2.244532429935777
Energy: 2.2464296938923507
Energy: 2.244532429934008
Energy: 2.562775446622453
Energy: 2.243887890355697
Energy: 2.201191009217367
Energy: 2.243887890356582
Energy: 2.475582270676152
Energy: 2.448376592431977
Energy: 2.4836369059133574
Energy: 2.448376592431092
Energy: 2.4484836461353594
Energy: 2.448405171825817
Energy: 2.3710564636727547
Energy: 2.448405171828471
Energy: 2.243615704682048
Energy: 2.165044954001767
Energy: 2.192741284843835
Energy: 2.165044953999997
Energy: 2.4495251947706906
Energy: 2.1974001985729155
Energy: 2.197170318421897
Energy: 2.1974001985729155
Energy: 2.3265211034698616
Energy: 2.197148200105877
Energy: 2.197931172529161
Energy: 2.1971481998856426
Energy: 2.3269749028730375
Energy: 2.1978096522543935
Energy: 2.195140359041523
Energy: 2.197809652255278
Energy: 2.4478434879345516
Energy: 2.446869154309395
Energy: 2.5664831876677243
Energy: 2.446869154309395
Energy: 2.4711794265705285
Energy: 2.4472133246757637
Energy: 2.5680332298605983
Energy: 2.4472133246775334
Energy: 2.4497192804157093
Energy: 2.244449684915261
Energy: 2.2481500589475556
Energy: 2.244449684915261
Energy: 2.4500213994129254
Energy: 2.244369786641524
Energy: 2.2429590146494043
Energy: 2.244369786640639
Energy: 2.246275525765678
Energy: 2.368209778825495
Energy: 2.249056305580464
Energy: 2.368209778825495
Energy: 2.1623053983996217
Energy: 2.2842911798731675
Energy: 2.248935053922648
Energy: 2.2842911798767074
Energy: 2.245805751399003
Energy: 2.2464525094876566
Energy: 2.5627826264997795
Energy: 2.2464525094894263
Energy: 2.2483168501327873
Energy: 2.2680242891926317
Energy: 2.3265933622309753
Energy: 2.2680242891917466
Energy: 2.3690945678319286
Energy: 2.4487730494980307
Energy: 2.369163599780419
Energy: 2.4487730494998003
Energy: 2.4754491127505105
Energy: 2.4485128015034654
Energy: 2.448656746835185
Energy: 2.4485128015025808
Energy: 2.1970335058402193
Energy: 2.19694598136605
Energy: 2.44925638666318
Energy: 2.196945981363396
Energy: 2.1975767374187147
Energy: 2.1971590946331783
Energy: 2.2442481753127037
Energy: 2.197159094634063
Energy: 2.1918714288156846
Energy: 2.197134491970462
Energy: 2.329552045365105
Energy: 2.197134491970462
Energy: 2.2005452253824718
Energy: 2.196782675772523
Energy: 2.328032416099581
Energy: 2.1967826757698687
Energy: 2.1969951420157736
Energy: 2.1961465285496344
Energy: 2.3263789467647276
Energy: 2.196146528550479
Energy: 2.570255475675892
Energy: 2.4489349022692704
Energy: 2.4477939630124315
Energy: 2.4489349022675

minimum gb energy = 2.1605282269824913 eV
minimum distance =  2.24107022410348 Angstroms
sigma value = 53


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

Energy: 3.137185860881534
Energy: 2.3703288943781895
Energy: 2.3744122462043986
Energy: 2.370328894380226
Energy: 2.3669559062421532
Energy: 2.2592558156475584
Energy: 2.3690699018099592
Energy: 2.2592558156434843
Energy: 2.3688487074088407
Energy: 2.3689849772030285
Energy: 2.386921947308078
Energy: 2.3689849772030285
Energy: 2.369149095106329
Energy: 2.263759204897634
Energy: 2.3656883010437566
Energy: 2.263759204897634
Energy: 2.396296362149651
Energy: 2.260896571431886
Energy: 2.127212388780128
Energy: 2.2608965714278124
Energy: 2.365454492128046
Energy: 2.267300037658795
Energy: 2.1304507413748492
Energy: 2.267300037658795
Energy: 2.5863196991801765
Energy: 2.3680377390533214
Energy: 2.368892951682986
Energy: 2.3680377390533214
Energy: 2.5863596288056026
Energy: 2.3660715490297566
Energy: 2.3627615838519747
Energy: 2.3660715490317936
Energy: 2.373150271749711
Energy: 2.371175457085287
Energy: 2.39155738023131
Energy: 2.371175457085287
Energy: 2.3652663467117425
Energy: 2.3676037043390257
Energy: 2.3687716220879516
Energy: 2.3676037043410623
Energy: 2.396790486232903
Energy: 2.273130419858216
Energy: 2.1296023137910196
Energy: 2.27313041986229
Energy: 2.3690335337151986
Energy: 2.2616553774197565
Energy: 2.1196932991307285
Energy: 2.2616553774197565
Energy: 2.5864129278512893
Energy: 2.365893850990962
Energy: 2.36431141819704
Energy: 2.3658938509970726

minimum gb energy = 2.1196932991307285 eV
minimum distance =  2.23249938927079 Angstroms
sigma value = 9


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

Energy: 3.0086605138288207
Energy: 2.522741524435186
Energy: 2.626847356333827
Energy: 2.5227415244849443
Energy: 2.242155757507033
Energy: 2.2391754860432367
Energy: 2.548018418447399
Energy: 2.239175486040975
Energy: 2.233525840981811
Energy: 2.236395132712545
Energy: 2.520115048233387
Energy: 2.2363951327140525
Energy: 2.238618706915032
Energy: 2.2417737081216575
Energy: 2.6592907368954837
Energy: 2.2417737081224116
Energy: 2.240773435233141
Energy: 2.2385550574408812
Energy: 2.6547639959541067
Energy: 2.2385550574408812
Energy: 2.238706607186158
Energy: 2.2390540525085805
Energy: 2.6552336847297497
Energy: 2.2390540525085805
Energy: 2.5671303093827276
Energy: 2.521239252605109
Energy: 2.549720102566554
Energy: 2.521239252602847
Energy: 2.5503538261157996
Energy: 2.5199777417568145
Energy: 2.5220351398719703
Energy: 2.51997774175606
Energy: 2.305588050185961
Energy: 2.408638936977533
Energy: 2.3384428676010938
Energy: 2.4086389369767796
Energy: 2.254731891812459
Energy: 2.3445544209900975
Energy: 2.5254456440328075
Energy: 2.344554420990851
Energy: 2.299936709861861
Energy: 2.3001501699656046
Energy: 2.4768675712149033
Energy: 2.300150169964097
Energy: 2.3361547362165034
Energy: 2.3042823433033974
Energy: 2.6564959744392693
Energy: 2.3042823433064132
Energy: 2.5472821973779607
Energy: 2.300457356746023
Energy: 2.3477112164010365
Energy: 2.3004573567497926
Energy: 2.5665906595564487
Energy: 2.3022781070463347
Energy: 2.304003540395723
Energy: 2.302278107047843
Energy: 2.5197685303651762
Energy: 2.3067849130957367
Energy: 2.307490827468935
Energy: 2.306784913094983
Energy: 2.3832195195986348
Energy: 2.4389678461904256
Energy: 2.3090093550237514
Energy: 2.4389678461926874
Energy: 2.5247309957146045
Energy: 2.423781619752424
Energy: 2.3066436397342662
Energy: 2.423781619752424
Energy: 2.5205712715726674
Energy: 2.5240304606916895
Energy: 2.659090529272477
Energy: 2.5240304606894277
Energy: 2.547715749232222
Energy: 2.3414651622335927
Energy: 2.3246591301676163
Energy: 2.3414651622343468
Energy: 2.520542530924671
Energy: 2.235258223493872
Energy: 2.2334383523259147
Energy: 2.235258223493118
Energy: 2.660806767339827
Energy: 2.2404232078455357
Energy: 2.2424833024383477
Energy: 2.240423207843274
Energy: 2.6548918409400244
Energy: 2.237684303112277
Energy: 2.238812936393702
Energy: 2.237684303108507
Energy: 2.6551762087121005
Energy: 2.2403837946183365
Energy: 2.2382089740422644
Energy: 2.2403837946145666
Energy: 2.551288228935385
Energy: 2.5204579394204187
Energy: 2.5483962968187797
Energy: 2.5204579394196647
Energy: 2.523027179198307
Energy: 2.5201847920324685
Energy: 2.548409835350756
Energy: 2.5201847920347302
Energy: 2.335163835515289
Energy: 2.4355832790026772
Energy: 2.303371347548718
Energy: 2.4355832790034313
Energy: 2.5216445010459743
Energy: 2.3422514694206624
Energy: 2.254498828013744
Energy: 2.342251469423678
Energy: 2.474358991792254
Energy: 2.3011881519437303
Energy: 2.301506937894608
Energy: 2.3011881519437303
Energy: 2.655662326030172
Energy: 2.3062433240812026
Energy: 2.3312596840878714
Energy: 2.3062433240819566
Energy: 2.3497010743945164
Energy: 2.3011354634286523
Energy: 2.546295300905102
Energy: 2.301135463427144
Energy: 2.3061530723600794
Energy: 2.3039848047089273
Energy: 2.5206023366168018
Energy: 2.3039848047074196
Energy: 2.3070717097162072
Energy: 2.3084761097224753
Energy: 2.520930179252097
Energy: 2.308476109725491
Energy: 2.3316490191722665
Energy: 2.5355606458920805
Energy: 2.3827518109063166
Energy: 2.5355606458898188
Energy: 2.304326688414116
Energy: 2.4270874861003424
Energy: 2.390489174297535
Energy: 2.427087486096573
Energy: 2.6588296684518022
Energy: 2.522956603584862
Energy: 2.520314345386588
Energy: 2.522956603584862

minimum gb energy = 2.2334383523259147 eV
minimum distance =  2.21289219106071 Angstroms
sigma value = 73


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

Energy: 3.3133154188764418
Energy: 2.427385246606742
Energy: 2.4298095223653573
Energy: 2.427385246609134
Energy: 2.2713902071186807
Energy: 2.26267292181467
Energy: 2.459438571653061
Energy: 2.2626729218182584
Energy: 2.2576282545408968
Energy: 2.2589824493154835
Energy: 2.4992114896425615
Energy: 2.2589824493142876
Energy: 2.261029984212843
Energy: 2.2619462336489407
Energy: 2.626979849676995
Energy: 2.2619462336477443
Energy: 2.2666484194740217
Energy: 2.266708703860841
Energy: 2.61098071107254
Energy: 2.2667087038596447
Energy: 2.3929170490859932
Energy: 2.268181778439698
Energy: 2.575707729132315
Energy: 2.268181778439698
Energy: 2.4355333070112497
Energy: 2.5070411718639964
Energy: 2.538569792118992
Energy: 2.507041171865193
Energy: 2.405301854871112
Energy: 2.502882884937007
Energy: 2.5029162987601135
Energy: 2.502882884937007
Energy: 2.350777338117711
Energy: 2.5037537909400127
Energy: 2.5046056827244256
Energy: 2.503753790935228
Energy: 2.2992503218060767
Energy: 2.2146363715044743
Energy: 2.5083178761691634
Energy: 2.2146363715068667
Energy: 2.382670787975449
Energy: 2.2098321826801652
Energy: 2.50662633707354
Energy: 2.2098321826801652
Energy: 2.3521099534761367
Energy: 2.212282459203072
Energy: 2.61115056426297
Energy: 2.2122824592054644
Energy: 2.499872294865339
Energy: 2.3661469974033613
Energy: 2.3359014357644026
Energy: 2.3661469974045577
Energy: 2.5000013731266373
Energy: 2.324851398119768
Energy: 2.3213256276539296
Energy: 2.3248513981209644
Energy: 2.553238300728668
Energy: 2.3230230217142616
Energy: 2.322026043243705
Energy: 2.3230230217106738
Energy: 2.6067316215524965
Energy: 2.324668768380265
Energy: 2.32229390746042
Energy: 2.324668768380265
Energy: 2.5752967881776225
Energy: 2.3345893444912735
Energy: 2.32180523103032
Energy: 2.33458934449247
Energy: 2.475302315670802
Energy: 2.5802904233886816
Energy: 2.549454933777008
Energy: 2.580290423386289
Energy: 2.4403869068016255
Energy: 2.442580332869401
Energy: 2.405966135528806
Energy: 2.442580332869401
Energy: 2.4399938271081547
Energy: 2.4164498534435075
Energy: 2.428886430888764
Energy: 2.4164498534423116
Energy: 2.440263276385994
Energy: 2.4254960112953396
Energy: 2.302495814416048
Energy: 2.4254960112941433
Energy: 2.616169444303593
Energy: 2.4268524831692013
Energy: 2.4278504087187223
Energy: 2.4268524831680054

minimum gb energy = 2.2098321826801652 eV
minimum distance =  2.19973618400434 Angstroms
sigma value = 7


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

Energy: 2.5887539976901666
Energy: 2.412076708974602
Energy: 2.412446707410364
Energy: 2.412076708959377
Energy: 2.2517806345163844
Energy: 2.409823246970306
Energy: 2.4426094831526264
Energy: 2.409823246970306
Energy: 2.2490084322765482
Energy: 2.2526032176471507
Energy: 2.4094618480634633
Energy: 2.252603217649688
Energy: 2.2565275842762955
Energy: 2.2579414335250867
Energy: 2.683887828268394
Energy: 2.2579414335267782
Energy: 2.247014943583286
Energy: 2.2485354407630993
Energy: 2.560820983471498
Energy: 2.2485354407614078
Energy: 2.2801176634440345
Energy: 2.249321147588048
Energy: 2.5608225493117134
Energy: 2.2493211475897397
Energy: 2.5448313154796276
Energy: 2.2506685334836405
Energy: 2.276998850016507
Energy: 2.250668533487869
Energy: 2.4406770927640964
Energy: 2.2480995509779746
Energy: 2.2490353183767104
Energy: 2.2480995509762827
Energy: 2.545590515446307
Energy: 2.2757291803208193
Energy: 2.276585835122956
Energy: 2.275729180321665
Energy: 2.561986115634437
Energy: 2.586660236633994
Energy: 2.2473022240957516
Energy: 2.586660236629765
Energy: 2.4483908104527283
Energy: 2.4070389890500237
Energy: 2.4273986816703426
Energy: 2.4070389890525616
Energy: 2.411629100001033
Energy: 2.4132514513429273
Energy: 2.5468195623037526
Energy: 2.4132514513378527
Energy: 2.4104766042836436
Energy: 2.414011556802314
Energy: 2.413526721918435
Energy: 2.414011556804005
Energy: 2.4123076768570786
Energy: 2.3798670785428166
Energy: 2.253935322920785
Energy: 2.3798670785428166
Energy: 2.410625330254526
Energy: 2.414572400494606
Energy: 2.2544889921135574
Energy: 2.414572400488686
Energy: 2.527860155248311
Energy: 2.412999636558349
Energy: 2.410543813273258
Energy: 2.412999636557503
Energy: 2.648826255291391
Energy: 2.4065796451893315
Energy: 2.444242014160806
Energy: 2.406579645181719
Energy: 2.249659052870981
Energy: 2.5267819073197626
Energy: 2.410457596053902
Energy: 2.5267819073282203
Energy: 2.2711042423734136
Energy: 2.275419098070559
Energy: 2.545742743820953
Energy: 2.2754190980756333
Energy: 2.2490016759387563
Energy: 2.2478772749568483
Energy: 2.5286226145301964
Energy: 2.2478772749644604
Energy: 2.2766814490151925
Energy: 2.250525186864755
Energy: 2.5612966459060407
Energy: 2.2505251868613714
Energy: 2.5496977524563116
Energy: 2.248868796671755
Energy: 2.277466364313991
Energy: 2.2488687966624514
Energy: 2.5514089141880647
Energy: 2.248776307378712
Energy: 2.246762141235325
Energy: 2.2487763073753286
Energy: 2.54736137858919
Energy: 2.258499511723597
Energy: 2.2570629819076773
Energy: 2.258499511720252
Energy: 2.5622594161820156
Energy: 2.252727964343943
Energy: 2.2491796169487617
Energy: 2.2527279643447886
Energy: 2.564351783922861
Energy: 2.409727273306474
Energy: 2.2517188880441372
Energy: 2.409727273306474
Energy: 2.410130755734734
Energy: 2.409779275034747
Energy: 3.3605707749197866
Energy: 2.4097792750296723
Energy: 2.40641318598587
Energy: 2.4099328108140323
Energy: 2.4092174874841805
Energy: 2.409932810821645
Energy: 2.4151284271349036
Energy: 2.384767791642628
Energy: 2.4138817263260264
Energy: 2.3847677916493937
Energy: 2.4062376270658374
Energy: 2.409869462051896
Energy: 2.2537819204050416
Energy: 2.409869462050205
Energy: 2.5308711175261216
Energy: 2.407923746568465
Energy: 2.414019195283134
Energy: 2.4079237465659276

minimum gb energy = 2.246762141235325 eV
minimum distance =  2.2067520375236 Angstroms
sigma value = 29


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

Energy: 2.1846264112103047
Energy: 2.3167801020670007
Energy: 2.201792072648789
Energy: 2.316780132754674
Energy: 2.1873404765287994
Energy: 2.320950830959818
Energy: 2.1997081408878714
Energy: 2.320950830958673
Energy: 2.1884815176694903
Energy: 2.337934677549566
Energy: 2.1725010129198283
Energy: 2.3379346775487146
Energy: 2.1690765332863267
Energy: 2.187465120226398
Energy: 2.1852980873414967
Energy: 2.1874651202266926
Energy: 2.1851072822356623
Energy: 2.1884474063714565
Energy: 2.170402838910309
Energy: 2.1884474063731587
Energy: 2.185076725197156
Energy: 2.327456077210302
Energy: 2.168722742093146
Energy: 2.3274560772097455
Energy: 2.1739679408195896
Energy: 2.336507969983655
Energy: 2.186648522363476
Energy: 2.3365079699828035
Energy: 2.189535933144531
Energy: 2.190161692083973
Energy: 2.165749134887231
Energy: 2.1901616920845624
Energy: 2.1650529670360026
Energy: 2.1902988164734096
Energy: 2.1906308276965074
Energy: 2.190298816471969

minimum gb energy = 2.1650529670360026 eV
minimum distance =  2.20918634136294 Angstroms
sigma value = 5


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

Energy: 3.1439304396088668
Energy: 2.06671942970242
Energy: 2.422140885271147
Energy: 2.0667194320998834
Energy: 2.4499295760318938
Energy: 2.0619457745840206
Energy: 2.4578325085681625
Energy: 2.0619457745856185
Energy: 2.458115060986741
Energy: 2.212875103051092
Energy: 2.4648283639209447
Energy: 2.212875103051092
Energy: 2.10512665615833
Energy: 2.059578317010105
Energy: 2.4507574506953618
Energy: 2.0595783170069817
Energy: 2.4498756931785595
Energy: 2.0594671164484177
Energy: 2.459647058481146
Energy: 2.0594671164492167
Energy: 2.062534034982051
Energy: 2.0594255862065833
Energy: 2.460740385063702
Energy: 2.05942558620898
Energy: 2.0608431265327214
Energy: 2.0599477422076227
Energy: 2.4524217069917933
Energy: 2.059947742206097
Energy: 2.063645623642071
Energy: 2.0617340597807043
Energy: 2.7849246445121043
Energy: 2.0617340597831015
Energy: 2.1109132470035887
Energy: 2.1208371623694457
Energy: 2.7966776450131317
Energy: 2.1208371623694457
Energy: 2.467415906344244
Energy: 2.012899030048414
Energy: 2.01492220116959
Energy: 2.0128990300492124
Energy: 2.1103863591913936
Energy: 2.0126154216146985
Energy: 2.013939204780762
Energy: 2.012615421612302
Energy: 2.8031449835155655
Energy: 2.0116667537333237
Energy: 2.014043499293643
Energy: 2.011666753731726
Energy: 2.7827964726602095
Energy: 2.0132167052177135
Energy: 2.0153927687252535
Energy: 2.0132167052201106
Energy: 2.1091473749848757
Energy: 2.114794868640021
Energy: 2.4610302350518602
Energy: 2.114794868641619
Energy: 2.0624436055902486
Energy: 2.0600788677818533
Energy: 2.459967016566589
Energy: 2.0600788677802555
Energy: 2.0625366595185652
Energy: 2.061239269536503
Energy: 2.4485856774975425
Energy: 2.061239269539699
Energy: 2.061986454133103
Energy: 2.059891850230742
Energy: 2.1063703182269045
Energy: 2.0598918502331394
Energy: 2.4574531919582987
Energy: 2.0615327806229256
Energy: 2.1082014447955943
Energy: 2.0615327806213277
Energy: 2.4679614440125626
Energy: 2.2129067013761023
Energy: 2.455479392457552
Energy: 2.2129067013761023
Energy: 2.4530394425670927
Energy: 2.0596851201290587
Energy: 2.103135620843918
Energy: 2.059685120131455
Energy: 2.4600105231458147
Energy: 2.059598444686529
Energy: 2.4525571000947592
Energy: 2.05959844468573
Energy: 2.4605288542631576
Energy: 2.0595745327458648
Energy: 2.0619915622706153
Energy: 2.0595745327466637
Energy: 2.4511418068016204
Energy: 2.0599862336591928
Energy: 2.0611399725054302
Energy: 2.0599862336591928
Energy: 2.7845264271986574
Energy: 2.061964273580807
Energy: 2.063354459899189
Energy: 2.061964273583204
Energy: 2.784396891153969
Energy: 2.1157180879900386
Energy: 2.1103622496932255
Energy: 2.11571808798924
Energy: 2.0154757748533694
Energy: 2.012941760373918
Energy: 2.467482756029853
Energy: 2.012941760375443
Energy: 2.013987174513032
Energy: 2.012385367332125
Energy: 2.110987429429248
Energy: 2.012385367332125
Energy: 2.013595061243437
Energy: 2.0118682573050193
Energy: 2.1130081881807015
Energy: 2.011868257303421
Energy: 2.014460587590641
Energy: 2.0124064498729286
Energy: 2.7819866412147367
Energy: 2.0124064498729286
Energy: 2.4621990081360727
Energy: 2.114249394029173
Energy: 2.108542321126671
Energy: 2.1142493940267757
Energy: 2.4628503836375386
Energy: 2.061099926032087
Energy: 2.0630532431891546
Energy: 2.0610999260336853
Energy: 2.4479815432391145
Energy: 2.060852854238006
Energy: 2.0624015722569826
Energy: 2.060852854237207
Energy: 2.107937906023437
Energy: 2.059604329987416
Energy: 2.062151602708097
Energy: 2.059604329987416

minimum gb energy = 2.011666753731726 eV
minimum distance =  2.19543964416623 Angstroms
sigma value = 1


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

Energy: 3.062324007625548
Energy: 1.9494361169248027
Energy: 2.3290945447092404
Energy: 1.9494361169656262
Energy: 1.9509792365834802
Energy: 1.950391974880053
Energy: 2.5012888853607222
Energy: 1.9503919748833671
Energy: 2.5033633547368592
Energy: 2.1459278255693017
Energy: 2.510238375593663
Energy: 2.1459278255715115
Energy: 1.9989489219124414
Energy: 2.1470531675850584
Energy: 2.488937576199034
Energy: 2.147053167583954
Energy: 1.9482566628019182
Energy: 1.9461988449008585
Energy: 2.500899819362457
Energy: 1.9461988449008585
Energy: 1.9450876669733004
Energy: 1.9470547226948762
Energy: 2.496927231024279
Energy: 1.9470547226959807
Energy: 1.9432962177362516
Energy: 1.945238075422913
Energy: 2.490365362240036
Energy: 1.9452380754251222
Energy: 1.9501026379701354
Energy: 1.9518527936446073
Energy: 2.9662669735938114
Energy: 1.9518527936423977
Energy: 2.4955891066887297
Energy: 2.0323426696842177
Energy: 2.9666875939524053
Energy: 2.032342669683113
Energy: 2.4999432844465517
Energy: 1.951647393428301
Energy: 1.9498913884582956
Energy: 1.9516473934271963
Energy: 2.4923103917982625
Energy: 1.9447494635198572
Energy: 1.942542639864317
Energy: 1.9447494635220668
Energy: 2.964508413393245
Energy: 1.9484291110430088
Energy: 1.9464255150412197
Energy: 1.948429111041904
Energy: 2.9641716650240246
Energy: 1.9460606639787117
Energy: 1.9470286668845687
Energy: 1.946060663977607
Energy: 1.9522577394925036
Energy: 2.148842343369449
Energy: 2.508116005461621
Energy: 2.1488423433661348
Energy: 2.003610814769648
Energy: 2.145421921532373
Energy: 2.5041087829963593
Energy: 2.145421921532373
Energy: 2.0073320657295577
Energy: 1.9494406931500503
Energy: 2.489274374022319
Energy: 1.9494406931489454
Energy: 1.9468170484566278
Energy: 1.9471112914234574
Energy: 2.507130958725454
Energy: 1.9471112914212478
Energy: 1.9484282780725035
Energy: 1.9510282878174185
Energy: 2.4904508341155904
Energy: 1.9510282878141043
Energy: 1.9433913225463433
Energy: 1.9451769429487815
Energy: 2.9669084118170153
Energy: 1.9451769429465722
Energy: 1.9489266247496349
Energy: 1.9537942349045148
Energy: 2.966584735483559
Energy: 1.95379423490341
Energy: 2.501844638739956
Energy: 2.032839114182262
Energy: 2.4885094597739825
Energy: 2.0328391141833664
Energy: 2.504712500648691
Energy: 1.9497867446794368
Energy: 1.949526533023151
Energy: 1.9497867446816464
Energy: 1.9507236868056272
Energy: 1.9472511368930912
Energy: 1.9465006472260307
Energy: 1.9472511368930912
Energy: 2.9639681752551015
Energy: 1.9460401398050662
Energy: 1.9444694104112172
Energy: 1.9460401398017517

minimum gb energy = 1.942542639864317 eV
minimum distance =  2.20092400887347 Angstroms
sigma value = 17


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

Energy: 2.1166929916318655
Energy: 1.907000716329017
Energy: 2.3107092859358893
Energy: 1.907000880156524
Energy: 1.9034821748594983
Energy: 1.906043337019157
Energy: 2.258259292563984
Energy: 1.9060433370198395
Energy: 2.5608920216667626
Energy: 1.8992505696258821
Energy: 2.258895173366457
Energy: 1.8992505696238335
Energy: 2.549406290108233
Energy: 1.99528895979591
Energy: 2.2448866733048733
Energy: 1.995288959798641
Energy: 2.209921608633709
Energy: 1.8641157332964942
Energy: 2.336436554926103
Energy: 1.8641157332992253
Energy: 1.8645064458235223
Energy: 1.863989860984354
Energy: 2.332118319501926
Energy: 1.8639898609857195
Energy: 1.863959071394598
Energy: 1.8630638043089403
Energy: 1.9370950160994225
Energy: 1.863063804309623
Energy: 1.8654905552600831
Energy: 1.8645168257669495
Energy: 2.1095482017770975
Energy: 1.8645168257628526
Energy: 2.5593954489115642
Energy: 1.8635791596119695
Energy: 2.253268681504601
Energy: 1.8635791596099212
Energy: 2.2614107889249113
Energy: 1.993722832902037
Energy: 2.2498508044832435
Energy: 1.9937228329006713
Energy: 2.5557141554406844
Energy: 1.898848906211486
Energy: 1.9312497324085245
Energy: 1.8988489062155827
Energy: 2.325998187509252
Energy: 1.8991916553322135
Energy: 2.2473356726344287
Energy: 1.8991916553342616
Energy: 2.342756298406288
Energy: 1.8982287084545368
Energy: 1.8992938827252737
Energy: 1.8982287084552196
Energy: 1.9022050357716134
Energy: 1.8994126098514796
Energy: 1.9018216673030903
Energy: 1.8994126098521622
Energy: 2.5689684037963483
Energy: 1.9047369066512827
Energy: 1.9073333036706837
Energy: 1.9047369066533313
Energy: 2.0913158802490077
Energy: 1.9015667448781661
Energy: 1.90373229467786
Energy: 1.9015667448795317
Energy: 1.90167047956384
Energy: 1.9021340539329643
Energy: 2.328733996998057
Energy: 1.9021340539391096
Energy: 1.8991818140257741
Energy: 1.898425288723374
Energy: 2.562118880912692
Energy: 1.8984252887213258
Energy: 1.904542408335115
Energy: 1.9034437139370346
Energy: 2.251079365179507
Energy: 1.9034437139363518
Energy: 1.9023409666427864
Energy: 1.8994902999152523
Energy: 2.111296331287972
Energy: 1.8994902999132037
Energy: 2.260363460257027
Energy: 1.9027974495138755
Energy: 2.213408397132088
Energy: 1.9027974495172895
Energy: 2.2568267068614465
Energy: 2.3161287499308028
Energy: 2.5618245064630205
Energy: 2.316128749934217
Energy: 2.245135565428394
Energy: 1.9941636429668443
Energy: 2.5718596212130507
Energy: 1.9941636429675271
Energy: 2.3449943736243655
Energy: 1.864168130909039
Energy: 2.210208962541002
Energy: 1.864168130909039
Energy: 2.570104577830895
Energy: 1.8637311473219704
Energy: 1.864353755438044
Energy: 1.8637311473219704
Energy: 2.2476464885318115
Energy: 1.8632210020196465
Energy: 1.8636570442860896
Energy: 1.8632210020175983
Energy: 2.089889567615087
Energy: 1.8647863541503813
Energy: 1.8661149318360561
Energy: 1.8647863541476501
Energy: 1.9428446000151898
Energy: 1.8633079425664258
Energy: 2.5621181887345514
Energy: 1.8633079425664258
Energy: 2.2543759334163185
Energy: 1.9962797918464619
Energy: 2.258877834149754
Energy: 1.9962797918464619
Energy: 1.9327537691075443
Energy: 1.8987689378695278
Energy: 2.5526434733093466
Energy: 1.8987689378681623
Energy: 2.244753591055902
Energy: 1.898297965221113
Energy: 2.331893773608562
Energy: 1.8982979652217955
Energy: 1.8988903330565503
Energy: 1.8986216272772392
Energy: 2.3348636121967385
Energy: 1.8986216272738252
Energy: 1.8995246346725367
Energy: 1.8980242471309505
Energy: 2.2447223377184304
Energy: 1.8980242471282194
Energy: 1.9073898419731503
Energy: 1.907180848958169
Energy: 2.54812815465363
Energy: 1.9071808489568032
Energy: 2.252423073478442
Energy: 1.9535473941926518
Energy: 1.8661919326095175
Energy: 1.9535473941919694
Energy: 2.328285118464821
Energy: 1.900092979772344
Energy: 1.9033587327525803
Energy: 1.9000929797764405
Energy: 2.5572808015446196
Energy: 1.8975670796532411
Energy: 1.8979203864342782
Energy: 1.8975670796525583
Energy: 2.559651644502844
Energy: 1.9006489277072112
Energy: 1.9022766178355885
Energy: 1.9006489277065284

minimum gb energy = 1.8630638043089403 eV
minimum distance =  2.19602697558809 Angstroms
sigma value = 89


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

Energy: 4.060717044254813
Energy: 1.731881459742591
Energy: 1.7358162633675402
Energy: 1.7318814597586696
Energy: 1.7349973003356014
Energy: 1.8866744136523153
Energy: 1.7406010668853993
Energy: 1.8866744136523153
Energy: 1.7285609656765466
Energy: 1.8855068733699218
Energy: 1.7357312048891258
Energy: 1.8855068733699218
Energy: 1.723205011638101
Energy: 1.8803049628855522
Energy: 1.7294950873135262
Energy: 1.8803049628855522
Energy: 1.728264998213904
Energy: 1.7304523928640894
Energy: 1.72589165123185
Energy: 1.730452392865876
Energy: 1.728672614628969
Energy: 1.7292629056992466
Energy: 1.733309176465826
Energy: 1.729262905701033
Energy: 1.7274104359851512
Energy: 1.7272685634744604
Energy: 1.7314737304028762
Energy: 1.727268563472674
Energy: 1.727943446440359
Energy: 1.7287951188370398
Energy: 1.7235755329441047
Energy: 1.7287951188352535
Energy: 1.7352937020262784
Energy: 1.726783752647085
Energy: 1.7371962733882522
Energy: 1.726783752647085
Energy: 1.7345597841315121
Energy: 1.8791331440459649
Energy: 1.7351488688807915
Energy: 1.8791331440459649
Energy: 1.7314328308267009
Energy: 1.877481417283649
Energy: 1.720012313222857
Energy: 1.877481417283649
Energy: 1.7246249271059533
Energy: 1.7269603744400288
Energy: 1.7321797123929705
Energy: 1.7269603744418154
Energy: 1.7254308710407387
Energy: 1.7298228638284439
Energy: 1.728367356225324
Energy: 1.7298228638302302
Energy: 1.7304394340033882
Energy: 1.725870476363229
Energy: 1.72560480966349
Energy: 1.725870476363229
Energy: 1.7225664582712998
Energy: 1.7308670984173542
Energy: 1.7291136863683705
Energy: 1.7308670984173542

minimum gb energy = 1.720012313222857 eV
minimum distance =  2.21612511059684 Angstroms
sigma value = 13


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

Energy: 3.5258509252860737
Energy: 1.5884335783881502
Energy: 2.054538029506519
Energy: 1.5884336909346053
Energy: 1.9725709346199394
Energy: 1.58350500357297
Energy: 1.9781522313969273
Energy: 1.5835050035759655
Energy: 1.5949380034959162
Energy: 1.5822993902988274
Energy: 1.9794180044442924
Energy: 1.5822993902973297
Energy: 2.3639410460330295
Energy: 1.5804103073726428
Energy: 1.9761044336830238
Energy: 1.5804103073711453
Energy: 1.981244468429046
Energy: 1.5808746718426414
Energy: 1.9805057401710828
Energy: 1.5808746718471345
Energy: 1.9775959925271205
Energy: 1.5860928203448241
Energy: 1.974884331313753
Energy: 1.58609282034108
Energy: 1.9789715038065903
Energy: 1.5826078498088285
Energy: 1.9733881342558572
Energy: 1.5826078498118237
Energy: 1.9779044993426094
Energy: 1.5832924309055563
Energy: 1.9755533872818463
Energy: 1.5832924308980685
Energy: 1.581412848246456
Energy: 1.5798632930468477
Energy: 1.9812813841266879
Energy: 1.5798632930386107
Energy: 1.581304857834506
Energy: 1.5810056099387688
Energy: 1.979439939557885
Energy: 1.5810056099282859
Energy: 1.583838625725155
Energy: 1.5805764434033245
Energy: 1.5956329077256577
Energy: 1.5805764434070686
Energy: 1.9752491315443128
Energy: 1.6699776668236328
Energy: 1.978932638587603
Energy: 1.6699776668273767
Energy: 1.9837502068986594
Energy: 1.666696632754956
Energy: 1.9731297357542719
Energy: 1.6666966327512118
Energy: 1.976506296144045
Energy: 1.6674219588757397
Energy: 2.3644836404843654
Energy: 1.6674219588719956
Energy: 1.9771011069258821
Energy: 1.5816820984277173
Energy: 1.977919880260728
Energy: 1.5816820984254707
Energy: 1.9857090840592315
Energy: 1.5872578410302542
Energy: 1.5880265880031508
Energy: 1.5872578410295055
Energy: 1.972099518683374
Energy: 1.5830356363610527
Energy: 1.5866323363152701
Energy: 1.5830356363707871
Energy: 1.6067310904646022
Energy: 1.5838665596161647
Energy: 1.5877512576350594
Energy: 1.583866559622155
Energy: 2.342184792889138
Energy: 1.5806058550948263
Energy: 1.9714446794851892
Energy: 1.5806058550910822
Energy: 1.980351616842044
Energy: 1.5811277860419928
Energy: 1.9821727543663326
Energy: 1.5811277860464856
Energy: 2.5525332742303517
Energy: 1.5810191026045977
Energy: 1.971743807582608
Energy: 1.581019102612086
Energy: 1.9783159892227327
Energy: 1.5825170912540005
Energy: 1.9742180009497703
Energy: 1.5825170912420197
Energy: 1.973288764220617
Energy: 1.5811781995969674
Energy: 1.982221458920277
Energy: 1.5811781995872327
Energy: 1.5940857381251965
Energy: 1.5810977651736446
Energy: 1.977876441254554
Energy: 1.5810977651691518
Energy: 1.9734488800520533
Energy: 1.5812593100645669
Energy: 1.977199106299995
Energy: 1.58125931007505
Energy: 1.581939319188997
Energy: 1.581132911047758
Energy: 1.9828450582555839
Energy: 1.5811329110507533
Energy: 1.5809767437376565
Energy: 1.5808462146151256
Energy: 1.9775474095654844
Energy: 1.580846214618121
Energy: 1.5829990137604995
Energy: 1.580086641784462
Energy: 1.6063776278944608
Energy: 1.580086641783713
Energy: 1.9717961249393325
Energy: 1.5821710331309484
Energy: 2.342862883762074
Energy: 1.5821710331219627
Energy: 1.9820189422029446
Energy: 1.6672301584716525
Energy: 1.9712237079420463
Energy: 1.6672301584716525
Energy: 1.9780779120734742
Energy: 1.668783907726814
Energy: 2.3456633813834453
Energy: 1.6687839077357995
Energy: 1.9846604598347872
Energy: 1.5850501382393791
Energy: 1.9718505239840032
Energy: 1.5850501382453697
Energy: 1.976955074880403
Energy: 1.5806186824801165
Energy: 1.583075110054035
Energy: 1.5806186824838604
Energy: 2.3310704862460314
Energy: 1.5810476810255838
Energy: 1.582352080524427
Energy: 1.5810476810255838
Energy: 2.3436177755386858
Energy: 1.5817269071362134
Energy: 1.5833561320917116
Energy: 1.581726907137711

minimum gb energy = 1.5798632930386107 eV
minimum distance =  2.21385888102481 Angstroms
sigma value = 37


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

Energy: 3.076682415109144
Energy: 1.424118950921537
Energy: 1.4241895331520096
Energy: 1.4241189509266903
Energy: 1.4297908326464392
Energy: 1.4201840636538894
Energy: 1.427458571233194
Energy: 1.4201840636538894
Energy: 1.4298371682238633
Energy: 1.421483848747793
Energy: 1.4379228396761372
Energy: 1.4214838487490813
Energy: 1.4258650518874496
Energy: 1.5862375793237926
Energy: 1.4385401421617534
Energy: 1.5862375793250807
Energy: 1.4363045988911907
Energy: 1.5858033257047897
Energy: 1.4221174548419868
Energy: 1.5858033257047897
Energy: 1.7817553005885352
Energy: 1.4235663767952131
Energy: 1.4292428437564837
Energy: 1.4235663767952131
Energy: 1.4272320099682505
Energy: 1.420426456587548
Energy: 1.4369501279859687
Energy: 1.420426456587548
Energy: 1.4339124510710057
Energy: 1.4249541340731524
Energy: 1.4318337700097183
Energy: 1.4249541340744405
Energy: 1.4225652308108456
Energy: 1.4214202998697374
Energy: 1.4221521237005412
Energy: 1.4214202998684493
Energy: 1.4203052339176645
Energy: 1.4207091002175642
Energy: 1.7815821308582174
Energy: 1.4207091002175642
Energy: 1.4241895331082075
Energy: 1.42411895113144
Energy: 3.076682415109144
Energy: 1.42411895113144
Energy: 1.427458571233194
Energy: 1.420184063655178
Energy: 1.7822497222413065
Energy: 1.4201840636538894
Energy: 1.4379228396774255
Energy: 1.4214838487490813
Energy: 1.429837168222575
Energy: 1.4214838487490813
Energy: 1.4385401421617534
Energy: 1.5862375793225043
Energy: 1.4258650518861613
Energy: 1.5862375793237926
Energy: 1.4221174548394104
Energy: 1.5858033257047897
Energy: 1.4363045988899024
Energy: 1.585803325706078
Energy: 1.4292428436586033
Energy: 1.4235663767952131
Energy: 1.4213612200369057
Energy: 1.4235663767977897
Energy: 1.4369501279833923
Energy: 1.4204264565862597
Energy: 1.4272320099695386
Energy: 1.4204264565862597
Energy: 1.4318337700109773
Energy: 1.4249541340731524
Energy: 1.4339124510697174
Energy: 1.4249541340744405
Energy: 1.4221521237031178
Energy: 1.4214202998697374
Energy: 1.422565230813422
Energy: 1.4214202998684493
Energy: 1.4257292238454473
Energy: 1.4207091002188525
Energy: 1.420305233916376
Energy: 1.4207091002188525

minimum gb energy = 1.4201840636538894 eV
minimum distance =  2.22029250633559 Angstroms
sigma value = 25


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

Energy: 3.055631387791254
Energy: 1.241162632024181
Energy: 1.752369231719025
Energy: 1.241162629329338
Energy: 2.3086760550588803
Energy: 1.238672528140367
Energy: 1.775321281929507
Energy: 1.2386725281383553
Energy: 2.32721127499056
Energy: 1.240006057643565
Energy: 1.7814790700059993
Energy: 1.2400060576496008
Energy: 2.5340190810064436
Energy: 1.240902664264655
Energy: 2.098517906261
Energy: 1.240902664265661
Energy: 2.305008394267035
Energy: 1.3771990277733366
Energy: 2.3066804905583265
Energy: 1.3771990277743424
Energy: 2.5393603640781977
Energy: 1.3744064961637619
Energy: 2.307480874869725
Energy: 1.3744064961617495
Energy: 2.53317000547473
Energy: 1.2305729692202532
Energy: 2.2953105041438984
Energy: 1.230572969218241
Energy: 1.767217709881577
Energy: 1.2276025318278025
Energy: 2.539790310033509
Energy: 1.2276025318298147
Energy: 1.7730279189989533
Energy: 1.227427402862035
Energy: 2.2910337659421027
Energy: 1.2274274028600232
Energy: 1.7668149921820586
Energy: 1.2244858842270763
Energy: 2.2901373659293647
Energy: 1.2244858842280821
Energy: 1.5073151787304628
Energy: 1.2270354449016687
Energy: 3.4822738739883516
Energy: 1.2270354449066982
Energy: 1.5070026469902618
Energy: 1.2250104120533034
Energy: 2.2899338246752357
Energy: 1.2250104120533034
Energy: 1.506994238773969
Energy: 1.230737886897045
Energy: 2.2913867096515252
Energy: 1.230737886896039
Energy: 1.509562981827364
Energy: 1.22822996570699
Energy: 2.28980702534035
Energy: 1.22822996570699
Energy: 2.0421437055147766
Energy: 1.2245041306736644
Energy: 2.2949154680306005
Energy: 1.2245041306706463
Energy: 2.0375217654877456
Energy: 1.2261420396567915
Energy: 2.326650707528321
Energy: 1.2261420396537732
Energy: 2.3055363605143606
Energy: 1.2305145395124366
Energy: 2.3257384073992493
Energy: 1.2305145395124366
Energy: 2.032181570878167
Energy: 1.3691095515603695
Energy: 2.290231843292378
Energy: 1.3691095515633875
Energy: 2.307536569929598
Energy: 1.3592044772783334
Energy: 2.5435898793542218
Energy: 1.3592044772733036
Energy: 2.3085755773828307
Energy: 1.3593424461017751
Energy: 2.5404369115147216
Energy: 1.3593424460977512
Energy: 2.5420029753852345
Energy: 1.3637031861460143
Energy: 1.564774571128624
Energy: 1.3637031861309248
Energy: 2.3081789663709418
Energy: 1.2384879360351138
Energy: 1.5050811893270217
Energy: 1.2384879360371257
Energy: 2.3292159092876648
Energy: 1.2400571928479613
Energy: 1.766155830331079
Energy: 1.2400571928449433
Energy: 2.5423968003651294
Energy: 1.240383623845969
Energy: 1.2424344102084734
Energy: 1.240383623847981
Energy: 2.3055995951537516
Energy: 1.2391805796553756
Energy: 1.241390422294351
Energy: 1.2391805796553756
Energy: 2.3280050267663737
Energy: 1.2390061922840276
Energy: 1.2407062404612543
Energy: 1.2390061922830216

minimum gb energy = 1.2244858842270763 eV
minimum distance =  2.2177007373117 Angstroms
sigma value = 41


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

Energy: 2.890590074041043
Energy: 1.091838739350177
Energy: 1.6149793180074736
Energy: 1.0918388401191959
Energy: 2.8196075405025343
Energy: 1.088143772472025
Energy: 1.5384180406800596
Energy: 1.0881437724695509
Energy: 2.8071913794550185
Energy: 1.0867688771987156
Energy: 1.5393442393725092
Energy: 1.086768877197891
Energy: 2.8057958419389926
Energy: 1.0898694464352603
Energy: 2.0014568047045143
Energy: 1.0898694464377345
Energy: 2.816064154718317
Energy: 1.0856676756398362
Energy: 2.406827156280254
Energy: 1.0856676756398362
Energy: 2.8149808819015325
Energy: 1.0901524515833017
Energy: 2.401981052192104
Energy: 1.090152451528044
Energy: 2.8209644020536806
Energy: 1.2023249958914732
Energy: 2.815835655306783
Energy: 1.202324995888999
Energy: 2.4095298266977996
Energy: 1.1982709699781924
Energy: 2.4118572285829356
Energy: 1.1982709699765428
Energy: 1.9902246326552007
Energy: 1.087155251727347
Energy: 2.821594030736514
Energy: 1.0871552517240481
Energy: 1.987873490473306
Energy: 1.0860304307300148
Energy: 2.8195001945678086
Energy: 1.0860304307300148
Energy: 1.5437996956988629
Energy: 1.088141306740934
Energy: 2.811997947161038
Energy: 1.088141306740934
Energy: 1.5417336432698139
Energy: 1.0864808253855809
Energy: 2.8193617211915742
Energy: 1.086480825383931
Energy: 1.537703512351066
Energy: 1.086618578849046
Energy: 2.8208773701257916
Energy: 1.0866185788498706
Energy: 1.0932459379250532
Energy: 1.08741499742959
Energy: 2.8114187316087818
Energy: 1.0874149974304148
Energy: 1.0902724197082274
Energy: 1.0887443914879718
Energy: 2.8160659729875626
Energy: 1.0887443914887966
Energy: 1.0903348749430057
Energy: 1.0874941747425049
Energy: 2.8085648453796153
Energy: 1.0874941747466287
Energy: 1.5415583017142211
Energy: 1.0872264047118794
Energy: 2.806058610915475
Energy: 1.0872264047151783
Energy: 1.543945657118463
Energy: 1.0874996752857644
Energy: 2.816373212494499
Energy: 1.0874996752857644
Energy: 1.5412148488142905
Energy: 1.0875806116449362
Energy: 2.817557023686978
Energy: 1.0875806116432867
Energy: 2.3999051595214103
Energy: 1.0878435009940641
Energy: 2.814691973681409
Energy: 1.0878435009965381
Energy: 2.3991124961175734
Energy: 1.0878337178931259
Energy: 2.8153883603499033
Energy: 1.0878337178914765
Energy: 2.4009233539188672
Energy: 1.1973282604196975
Energy: 2.8238693033188658
Energy: 1.1973282604229964
Energy: 2.8235364505055873
Energy: 1.197998387180471
Energy: 2.81093430051041
Energy: 1.1979983871821205
Energy: 2.410581122256511
Energy: 1.1985436820180044
Energy: 2.4001045289647887
Energy: 1.1985436820517812
Energy: 2.8165039185698153
Energy: 1.0868627378078342
Energy: 1.9989343120535745
Energy: 1.0868627378119577
Energy: 2.818386293179027
Energy: 1.0872809878925502
Energy: 2.3984627522586934
Energy: 1.0872809878917256
Energy: 2.811435871537579
Energy: 1.0871528243403816
Energy: 1.5400927364391657
Energy: 1.0871528243412063
Energy: 2.8144373643911873
Energy: 1.0890504440354576
Energy: 1.5447123301195393
Energy: 1.0890504440346327
Energy: 2.8122467789813888
Energy: 1.0869383166031985
Energy: 1.5409486024422179
Energy: 1.086938316601549
Energy: 2.8123867298050773
Energy: 1.0888165520094035
Energy: 1.090792320513385
Energy: 1.0888165520094035
Energy: 2.8162703071450403
Energy: 1.088031502177143
Energy: 1.0895868666560247
Energy: 1.088031502177143
Energy: 2.8060135216930777
Energy: 1.0895867279847535
Energy: 1.0920918667369854
Energy: 1.0895867279855784

minimum gb energy = 1.0856676756398362 eV
minimum distance =  2.22624380635712 Angstroms
sigma value = 15


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

Energy: 3.189366369068407
Energy: 0.9883798555128862
Energy: 1.5249218267148743
Energy: 0.988379905773875
Energy: 3.1742133924848135
Energy: 0.9831043853085459
Energy: 1.3704486850282622
Energy: 0.9831043853085459
Energy: 3.184683386282632
Energy: 0.9828536076621197
Energy: 1.370860352687028
Energy: 0.9828536076663118
Energy: 3.1830095016109192
Energy: 0.9828030192830013
Energy: 2.125146184958031
Energy: 0.9828030192823028
Energy: 3.1720991392652325
Energy: 0.9808028491663173
Energy: 2.121109474726937
Energy: 0.9808028491746379
Energy: 3.1737113035105247
Energy: 0.9825675576162058
Energy: 2.11374896783673
Energy: 0.9825675576176032
Energy: 2.4766249649811862
Energy: 0.9828723709815208
Energy: 2.818975117210193
Energy: 0.9828723709892062
Energy: 2.8242704375906156
Energy: 1.0835875636100634
Energy: 2.1251470862852524
Energy: 1.0835875636079673
Energy: 2.4750124100936093
Energy: 1.0774586235154284
Energy: 2.818062042423495
Energy: 1.0774586235126338
Energy: 2.4720409357466915
Energy: 1.0771603337619065
Energy: 3.1742695143587345
Energy: 1.0771603337619065
Energy: 2.122760893496951
Energy: 0.9825174077943507
Energy: 2.8405726971919467
Energy: 0.98251740778946
Energy: 1.7627767806767332
Energy: 0.9807987011221098
Energy: 3.172824563732861
Energy: 0.9807987011214111
Energy: 2.1160322030295586
Energy: 0.9813337505582945
Energy: 3.1820166142683095
Energy: 0.9813337505589933
Energy: 1.3755368532383985
Energy: 0.9829033910834123
Energy: 2.831642854412516
Energy: 0.9829033910855082
Energy: 1.3773613627556072
Energy: 0.9819072488066837
Energy: 3.1733141489460754
Energy: 0.981907248805985
Energy: 1.377389980452629
Energy: 0.9851532531728819
Energy: 3.183319037674482
Energy: 0.9851532531728819
Energy: 0.9871512523262999
Energy: 0.9826032856527297
Energy: 3.173794942759112
Energy: 0.9826032856527297
Energy: 0.9838682109748443
Energy: 0.9819159143362141
Energy: 3.1726665539243317
Energy: 0.9819159143390086
Energy: 0.9855306819592259
Energy: 0.9833610972445735
Energy: 3.177637418579466
Energy: 0.9833610972452722
Energy: 1.376591084261264
Energy: 0.9824615855765142
Energy: 3.1668268780802635
Energy: 0.9824615855800074
Energy: 1.375927147279232
Energy: 0.98186639539807
Energy: 3.1745712054404827
Energy: 0.9818663953945767
Energy: 1.3743279759727638
Energy: 0.983259982357585
Energy: 3.181953132699805
Energy: 0.9832599823582838
Energy: 2.1136362797694312
Energy: 0.9821253943013811
Energy: 3.1688218275956928
Energy: 0.9821253943048744
Energy: 2.1231049190526115
Energy: 0.9809722244074538
Energy: 3.1750839914054048
Energy: 0.9809722244081526
Energy: 2.124915356957276
Energy: 0.9875710406220954
Energy: 2.4837953766549865
Energy: 0.98757104062489
Energy: 2.8246328923489825
Energy: 1.0769356989435808
Energy: 3.1752835628734566
Energy: 1.0769356989526635
Energy: 2.1188298903243115
Energy: 1.0776051280536987
Energy: 2.8200964406263918
Energy: 1.0776051280585894
Energy: 2.8261176201166713
Energy: 1.0840369036233286
Energy: 2.4840118991147704
Energy: 1.084036903628918
Energy: 2.826019511565
Energy: 0.9823913689526717
Energy: 2.8208996358314127
Energy: 0.9823913689505758
Energy: 2.823250155419902
Energy: 0.9830954320062435
Energy: 2.1158397897219845
Energy: 0.9830954320062435
Energy: 3.172836307142754
Energy: 0.9806357099881899
Energy: 1.762176835610049
Energy: 0.9806357099895874
Energy: 2.8312836223592126
Energy: 0.9862519384326065
Energy: 2.123499793793751
Energy: 0.9862519384305107
Energy: 3.1824498407921404
Energy: 0.9831088351953607
Energy: 1.3724063831652278
Energy: 0.9831088351960594
Energy: 3.174613671098626
Energy: 0.9828111224631029
Energy: 1.372162085851043
Energy: 0.9828111224596096
Energy: 3.1660983101977016
Energy: 0.9825986272402734
Energy: 0.9908264120993473
Energy: 0.9825986272416707
Energy: 3.1733682308488276
Energy: 0.9828438624780624
Energy: 0.9848812196186317
Energy: 0.9828438624801584
Energy: 3.1802284574569115
Energy: 0.9835104177283651
Energy: 0.9858929107622714
Energy: 0.9835104177311598

minimum gb energy = 0.9806357099881899 eV
minimum distance =  2.22631387580151 Angstroms
sigma value = 85


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

Energy: 3.452574256878197
Energy: 0.8784013140241389
Energy: 0.8782838352759536
Energy: 0.8784013140120196
Energy: 3.414525471353789
Energy: 0.8749105651657484
Energy: 1.2186997845759642
Energy: 0.8749105651645365
Energy: 3.408307573068299
Energy: 0.8744675888305399
Energy: 1.2189859836956447
Energy: 0.8744675888317518
Energy: 2.797782493448388
Energy: 0.8773161779803603
Energy: 1.8769801481981985
Energy: 0.8773161779797544
Energy: 3.4128085180211625
Energy: 0.8733926563273412
Energy: 1.8809170916406082
Energy: 0.8733926563206758
Energy: 2.8054385838766227
Energy: 0.8760874654622504
Energy: 1.8764664133204023
Energy: 0.8760874654598265
Energy: 2.800828759221505
Energy: 0.8756852088739145
Energy: 2.502960667835717
Energy: 0.8756852088727026
Energy: 3.1149678036475024
Energy: 0.8747897936598146
Energy: 1.8704409413788834
Energy: 0.8747897936573906
Energy: 2.804248643423666
Energy: 0.8740520432671366
Energy: 2.4976402881421347
Energy: 0.8740520432707725
Energy: 2.812146059352058
Energy: 1.043540826031261
Energy: 3.1058176162366866
Energy: 1.0435408260282315
Energy: 2.5059602834868304
Energy: 1.0425303242106523
Energy: 2.494583722400851
Energy: 1.0425303242124702
Energy: 2.1955329855638306
Energy: 0.8741837910517302
Energy: 3.1057787089745252
Energy: 0.8741837910499122
Energy: 2.4985351949483157
Energy: 0.8741245763085747
Energy: 3.1078145520219755
Energy: 0.8741245763073627
Energy: 1.8854122161427194
Energy: 0.8763533444977707
Energy: 2.4908550203934765
Energy: 0.8763533444995885
Energy: 1.5644127551538567
Energy: 0.8738982051636073
Energy: 3.412209152868229
Energy: 0.8738982051623954
Energy: 1.879146323165089
Energy: 0.8764345162015805
Energy: 3.1098113110258554
Energy: 0.8764345162015805
Energy: 1.227279859691115
Energy: 0.8774090759960286
Energy: 3.1021658691371865
Energy: 0.8774090759954225
Energy: 1.2237321893421171
Energy: 0.8749411557700609
Energy: 3.4112285170261902
Energy: 0.8749411557700609
Energy: 1.2224300604316882
Energy: 0.8772161016142568
Energy: 3.4016306297000587
Energy: 0.8772161016130449
Energy: 0.876913922636691
Energy: 0.8758004474134273
Energy: 3.401698817302656
Energy: 0.8758004474146391
Energy: 0.8752032773683056
Energy: 0.8744104231780279
Energy: 3.412949101312961
Energy: 0.8744104231774219
Energy: 0.878259042111752
Energy: 0.8777337549446043
Energy: 3.4011653055747915
Energy: 0.877733754946422
Energy: 1.2233103503770169
Energy: 0.8761047526634023
Energy: 3.4042378840574576
Energy: 0.8761047526621902
Energy: 1.2227144484942958
Energy: 0.8739523881938461
Energy: 3.413841490365372
Energy: 0.8739523881932401
Energy: 1.2237671179377094
Energy: 0.8797244185389207
Energy: 2.7974921401690254
Energy: 0.8797244185401326
Energy: 1.876181382525531
Energy: 0.8753759311964918
Energy: 3.4051527873976686
Energy: 0.8753759311983097
Energy: 1.8792827066306823
Energy: 0.8737718344724611
Energy: 3.408494008737544
Energy: 0.8737718344718551
Energy: 1.8763868389966816
Energy: 0.8765331288166299
Energy: 2.8012611027803334
Energy: 0.8765331288160239
Energy: 2.4984310752685706
Energy: 0.8738136992262525
Energy: 3.4155746727020175
Energy: 0.8738136992250405
Energy: 2.501284091413907
Energy: 0.8743243226612695
Energy: 2.806701749616235
Energy: 0.8743243226546039
Energy: 2.812280071707116
Energy: 1.0431190669771915
Energy: 2.1908491411659266
Energy: 1.0431190669784034
Energy: 2.4945012646776754
Energy: 1.0429613112399811
Energy: 2.811840012281723
Energy: 1.0429613112357394
Energy: 3.1104181344379733
Energy: 0.874111037759181
Energy: 2.1884023276144386
Energy: 0.874111037759181
Energy: 3.415773459591666
Energy: 0.8734788356321788
Energy: 2.19057234996048
Energy: 0.8734788356327847
Energy: 2.4903913565398264
Energy: 0.8771133866460061
Energy: 1.8764557133203592
Energy: 0.8771133866429762
Energy: 3.4107606207438645
Energy: 0.8736549291820095
Energy: 1.879972234106301
Energy: 0.8736549291826154
Energy: 3.4055454368511935
Energy: 0.8759911353923789
Energy: 1.87634532206009
Energy: 0.8759911353948028
Energy: 3.102594694527281
Energy: 0.8785937368123452
Energy: 1.2245172080603286
Energy: 0.8785937368141631
Energy: 3.4141252768093144
Energy: 0.8735985597143993
Energy: 1.2219652637375822
Energy: 0.8735985597125814
Energy: 3.4019164846802674
Energy: 0.876190429074543
Energy: 1.2234776830478162
Energy: 0.8761904290721193
Energy: 3.099026384643081
Energy: 0.8769277728260448
Energy: 0.8777174136905391
Energy: 0.8769277728284687
Energy: 3.4120335210252026
Energy: 0.8739856085875476
Energy: 0.8745056639346852
Energy: 0.8739856085845179
Energy: 3.4009963566172807
Energy: 0.8765560200061246
Energy: 0.8788032685490832
Energy: 0.8765560200055186

minimum gb energy = 0.8733926563206758 eV
minimum distance =  2.2258140112815 Angstroms
sigma value = 113


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

Energy: 0.019221612399383813
Energy: 0.7696901672667107
Energy: 3.0547726098964505
Energy: 0.7696901672667107
Energy: 2.4382064908260386
Energy: 0.20040945202942032
Energy: 2.4416582507810523
Energy: 0.20040945202895447
Energy: 0.020296512510131037
Energy: 0.19774179165142589
Energy: 2.4389840132733083
Energy: 0.19774179165142589
Energy: 0.021892787073101452
Energy: 0.1998825606024745
Energy: 2.4524322957176383
Energy: 0.19988256060475187
Energy: 2.4412539595304446
Energy: 0.19812415485234824
Energy: 2.443946020159651
Energy: 0.19812415485276227
Energy: 0.020081528345970753
Energy: 0.19790876268211874
Energy: 2.439799836213832
Energy: 0.19790876268299867

minimum gb energy = 0.019221612399383813 eV
minimum distance =  2.45823790326549 Angstroms
sigma value = 1