Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3071984400253597e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.017335751967862766
Energy: 0.01754755017808797
Energy: 7.444189884241168
Energy: 9.995313993845752
Energy: 0.01754755017808797
Energy: 0.23931860859458462
Energy: 1.4172726004430198
Energy: 0.23931860859458462
Energy: 7.481976987021739
Energy: 1.4172726004430198
Energy: 1.6558941312155122
Energy: 1.4172726004430198
Energy: 9.906100148471761
Energy: 0.23931860859458462
Energy: 1.417272600442238
Energy: 0.23931860859458462

minimum gb energy = 0.017335751967862766 eV
minimum distance =  2.67787599472914 Angstroms
sigma value = 1


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

Energy: 2.838498715890165
Energy: 1.5941269680021706
Energy: 10.599683145376455
Energy: 6.14616836293662
Energy: 2.7129311733389154
Energy: 1.5881838839816218
Energy: 1.5298998829092938
Energy: 1.5881838839806177
Energy: 2.685868766230288
Energy: 1.4547742436033646
Energy: 1.4569700227913405
Energy: 1.4547742436023607
Energy: 2.717237275320549
Energy: 1.7148451983682553
Energy: 1.4882919081562824
Energy: 1.7148451983682553
Energy: 2.6346809185316427
Energy: 1.6345861194624451
Energy: 8.642582482649216
Energy: 1.6345861194624451
Energy: 2.716591911789377
Energy: 1.715142800907521
Energy: 1.8813004082497498
Energy: 1.7151428009055125
Energy: 2.728270573983787
Energy: 1.6788775476231321
Energy: 1.8648551475170922
Energy: 1.6788775476221283
Energy: 2.291203497874791
Energy: 1.7290558861187542
Energy: 1.8264505593553129
Energy: 1.729055886119758
Energy: 2.1549104940246666
Energy: 1.8418579185580537
Energy: 2.2370922392731685
Energy: 1.8418579184486603
Energy: 2.2910351769002455
Energy: 1.727796813977147
Energy: 2.309591758826156
Energy: 1.7277968139781512
Energy: 2.344963727592591
Energy: 1.7271449420959701
Energy: 2.2607619430647454
Energy: 1.7271449420959701
Energy: 1.8267161933072926
Energy: 1.7296810870954662
Energy: 2.28535852711016
Energy: 1.72968108709647
Energy: 1.883874177587342
Energy: 1.6771983548029998
Energy: 2.282348298709045
Energy: 1.6771983548029998
Energy: 1.825722806498104
Energy: 1.7173855782110123
Energy: 2.7162338703539133
Energy: 1.7173855782110123
Energy: 5.808581512568252
Energy: 1.5983042243299432
Energy: 2.4381169472205313
Energy: 1.598304224330947
Energy: 1.4875330679442123
Energy: 1.715692750055804
Energy: 2.7118759464683606
Energy: 1.7156927500548
Energy: 1.45525174056988
Energy: 1.455156607972781
Energy: 2.708360085080914
Energy: 1.455156607972781
Energy: 1.5289605469647467
Energy: 1.527581243358586
Energy: 2.7151158902275747
Energy: 1.527581243358586
Energy: 8.817179840093877
Energy: 1.4882203122116668
Energy: 2.5603202506687817
Energy: 1.4882203122046387
Energy: 1.6620831313721682
Energy: 1.6798995467983437
Energy: 2.682744410605387
Energy: 1.6798995467973397
Energy: 1.603720943704422
Energy: 1.5412177923226762
Energy: 2.7165773172676966
Energy: 1.5412177923246844
Energy: 1.5996723803845574
Energy: 1.6190254734108318
Energy: 2.5512039308660386
Energy: 1.6190254734118357
Energy: 1.5872113004968937
Energy: 1.7271424896164314
Energy: 2.344076084567659
Energy: 1.7271424896174357
Energy: 2.0641759499069323
Energy: 1.727857816039435
Energy: 2.5461973090359
Energy: 1.7278578160384308
Energy: 2.1395516658426956
Energy: 1.7263769577862396
Energy: 2.5741677668307488
Energy: 1.7263769577842316
Energy: 2.0725711803359945
Energy: 1.7262543860275592
Energy: 2.0564805361434955
Energy: 1.7262543860285635
Energy: 2.056389455690551
Energy: 1.7253413263067465
Energy: 2.1314899320443033
Energy: 1.7253413263067465
Energy: 2.553262582136553
Energy: 1.7266009222168026
Energy: 2.0547091471822116
Energy: 1.7266009222157985
Energy: 2.412954283752521
Energy: 1.7275392279452544
Energy: 5.813527334548855
Energy: 1.7275392279442505
Energy: 2.440276463545721
Energy: 1.7272905944623687
Energy: 1.5887543878902126
Energy: 1.7272905944623687
Energy: 2.5591756874301694
Energy: 1.5424195930105329
Energy: 1.5900277840810952
Energy: 1.5424195930105329
Energy: 2.714352795358485
Energy: 1.580857220035673
Energy: 1.6252703046329962
Energy: 1.580857220035673
Energy: 2.702069571792675
Energy: 5.947277400804004
Energy: 10.571143977826809
Energy: 5.9752422336489674

minimum gb energy = 1.4547742436023607 eV
minimum distance =  1.57933557300903 Angstroms
sigma value = 1


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

Energy: 3.140431233441694
Energy: 2.851234097176243
Energy: 9.152456204291271
Energy: 9.11727798322366
Energy: 2.5903505677366336
Energy: 1.6081939077548404
Energy: 1.6062523206687516
Energy: 1.6081939077548404
Energy: 2.612888665687818
Energy: 1.4962532747286759
Energy: 1.4957197942447178
Energy: 1.4962532747286759
Energy: 2.6133479928538006
Energy: 1.766816973493374
Energy: 1.6066610165255575
Energy: 1.7668169734945187
Energy: 2.681564940870568
Energy: 1.6528967083358075
Energy: 12.980032093005022
Energy: 1.6528967083358075
Energy: 2.6154062418756117
Energy: 1.7664458822059714
Energy: 1.8572393983195614
Energy: 1.7664458822059714
Energy: 2.6167279806520773
Energy: 1.665139890082013
Energy: 1.830329857422301
Energy: 1.6651398900831575
Energy: 2.3239737937443676
Energy: 1.6660311413250146
Energy: 1.7894108734202763
Energy: 1.6660311413250146
Energy: 2.6508461169977116
Energy: 1.783165414576084
Energy: 2.121614314867116
Energy: 1.7831654145783735
Energy: 2.397173105638331
Energy: 1.7806791700557085
Energy: 2.3190728678424675
Energy: 1.7806791700545637
Energy: 8.977027900077726
Energy: 1.7811466343125304
Energy: 2.1494100532705454
Energy: 1.7811466343113858
Energy: 1.7878382506352521
Energy: 1.785246723561537
Energy: 2.036567387054076
Energy: 1.7852467235603922
Energy: 1.8248475654170138
Energy: 1.6664117870986441
Energy: 2.6353457387401713
Energy: 1.6664117870963546
Energy: 1.8863384532415375
Energy: 1.7672695337473305
Energy: 2.612193870947528
Energy: 1.767269533745041
Energy: 9.28422811434973
Energy: 9.105449594494038
Energy: 2.582879686909139
Energy: 9.003581247312376
Energy: 1.605827325440587
Energy: 1.7671770374149198
Energy: 2.583492748687289
Energy: 1.7671770374103408
Energy: 1.496484679164198
Energy: 1.496090454345325
Energy: 2.615692570075606
Energy: 1.496090454345325
Energy: 1.4973552142144244
Energy: 1.4990078081108158
Energy: 2.6155459815270468
Energy: 1.4990078081108158
Energy: 14.53577948271344
Energy: 1.6531617804218113
Energy: 2.6459535150489777
Energy: 1.6531617803989678
Energy: 1.9684896025164251
Energy: 1.766142811541873
Energy: 2.613992990760253
Energy: 1.7661428115407283
Energy: 1.7796646725178067
Energy: 1.6645717949571146
Energy: 2.6124114075552907
Energy: 1.6645717949582595
Energy: 1.781778106092298
Energy: 1.664791239347688
Energy: 2.320876415048436
Energy: 1.664791239347688
Energy: 1.7831343248748603
Energy: 1.7809176452281783
Energy: 2.65112856476163
Energy: 1.7809176452270337
Energy: 2.3210330136702235
Energy: 1.7827785676168442
Energy: 2.3208035477042626
Energy: 1.7827785676179888
Energy: 2.143436992604548
Energy: 1.7803247362391736
Energy: 8.904072256643648
Energy: 1.780324736238029
Energy: 2.040222291661528
Energy: 1.779876023617555
Energy: 1.8008292320349615
Energy: 1.779876023617555
Energy: 2.3201296645367715
Energy: 1.6649252895665192
Energy: 1.826785802405078
Energy: 1.6649252895653743
Energy: 2.6122891646078736
Energy: 1.6650368813933032
Energy: 1.8837890385170024
Energy: 1.665036881394448
Energy: 2.5846903308576943
Energy: 8.810897985795346
Energy: 8.39327915495571
Energy: 8.013958136007593

minimum gb energy = 1.4957197942447178 eV
minimum distance =  1.59558113873061 Angstroms
sigma value = 25


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

Energy: 3.0072298525413212
Energy: 1.8774023422304655
Energy: 6.860744036426547
Energy: 6.9425082151758755
Energy: 2.4451662708057045
Energy: 1.6748542800175406
Energy: 1.674181581108281
Energy: 1.6748542800175406
Energy: 2.4962803841355328
Energy: 1.5788170589844104
Energy: 1.5799527258714257
Energy: 1.578817058985741
Energy: 2.4915855648400504
Energy: 1.6163092782824677
Energy: 1.6150319321590034
Energy: 1.6163092782824677
Energy: 2.74061003270964
Energy: 1.806000593820228
Energy: 2.024581606536005
Energy: 1.806000593820228
Energy: 2.4913530617703863
Energy: 1.8036379485005247
Energy: 2.1187757990722687
Energy: 1.8036379485005247
Energy: 2.4928799511977564
Energy: 1.872694337551104
Energy: 2.151746067381612
Energy: 1.872694337552435
Energy: 2.0826714598905434
Energy: 1.8755875538290632
Energy: 2.083820956580464
Energy: 1.875587553830394
Energy: 2.1923528416990226
Energy: 1.8720541944400777
Energy: 2.366672444677897
Energy: 1.872054194438747
Energy: 2.1153763902559914
Energy: 1.8729990941635812
Energy: 2.5544688667620385
Energy: 1.8729990941635812
Energy: 6.358266500955786
Energy: 1.7645823045130087
Energy: 2.7154782265242687
Energy: 1.764582304511678
Energy: 1.6149140248199796
Energy: 1.6197336162735592
Energy: 2.5433751939942617
Energy: 1.6197336162735592
Energy: 1.5780171970929253
Energy: 1.5789261767162432
Energy: 2.4990244562389496
Energy: 1.5789261767149125
Energy: 1.6742384186041115
Energy: 1.6757912126061378
Energy: 2.501052637436499
Energy: 1.6757912126061378
Energy: 9.89662472533294
Energy: 1.6164052311244836
Energy: 2.710294889990178
Energy: 1.6164052311244836
Energy: 1.8572291569605572
Energy: 1.7598542744398857
Energy: 2.4885789986320015
Energy: 1.7598542744398857
Energy: 1.7686497867141333
Energy: 1.7084389686888395
Energy: 2.501411945707315
Energy: 1.7084389686901702
Energy: 1.7686486187156132
Energy: 1.7081664166645698
Energy: 2.374926975741665
Energy: 1.7081664166645698
Energy: 1.7710639864267104
Energy: 1.9200441451803756
Energy: 2.2217960226648064
Energy: 1.9200441451803756
Energy: 2.3765870087912653
Energy: 1.9211280671894881
Energy: 2.375790044266427
Energy: 1.9211280671894881
Energy: 2.2994708004058357
Energy: 1.9195017668248848
Energy: 2.3758990298307663
Energy: 1.9195017668248848
Energy: 2.2607987347782834
Energy: 1.9193467619482463
Energy: 1.820161771853966
Energy: 1.9193467619469156
Energy: 2.3739298268830273
Energy: 1.7083702384862909
Energy: 1.792307242308644
Energy: 1.7083702384862909
Energy: 2.499099675107069
Energy: 1.7611454581611545
Energy: 1.8184609859146625
Energy: 1.7611454581611545
Energy: 2.5358414934723514
Energy: 1.6250710834230528
Energy: 6.147319160951894
Energy: 1.6250710833991293

minimum gb energy = 1.5780171970929253 eV
minimum distance =  2.50569943666542 Angstroms
sigma value = 9


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

Energy: 2.6823273756566737
Energy: 2.5048793402164002
Energy: 10.720504287501686
Energy: 10.51613814694136
Energy: 2.334851242546288
Energy: 1.5998786889948293
Energy: 1.7671940964874786
Energy: 1.5998786889948293
Energy: 2.3830203702982278
Energy: 1.598793807943473
Energy: 1.5949350089673417
Energy: 1.598793807943473
Energy: 2.3815315252683824
Energy: 1.768010595442565
Energy: 1.7685765143835575
Energy: 1.768010595442565
Energy: 2.126108686901674
Energy: 1.805488658224414
Energy: 1.9638770169838489
Energy: 1.8054886600238538
Energy: 2.3810535201946257
Energy: 1.8374260910223241
Energy: 2.1509037811156295
Energy: 1.8374260910223241
Energy: 2.3828019476691833
Energy: 1.8391736954874631
Energy: 1.5783074651715379
Energy: 1.8391736954858755
Energy: 2.0088757893656735
Energy: 1.83970613601922
Energy: 2.0052044889409064
Energy: 1.83970613601922
Energy: 2.118726068608713
Energy: 1.8411719958175712
Energy: 2.3843450563793507
Energy: 1.8411719958191588
Energy: 2.1516215212284435
Energy: 1.8379806722289906
Energy: 2.381511351835078
Energy: 1.8379806722289906
Energy: 10.671072563595363
Energy: 10.339963702310225
Energy: 2.6161478808432084
Energy: 10.424200511823345
Energy: 10.165805157532937
Energy: 1.6021571563038237
Energy: 2.334947805422034
Energy: 1.6021571563038237
Energy: 1.5999052537498528
Energy: 1.5992076772638775
Energy: 2.384033446674786
Energy: 1.5992076772638775
Energy: 1.6011421845820637
Energy: 1.5994655506461202
Energy: 2.3820230243332277
Energy: 1.5994655506477076
Energy: 1.7661280844621847
Energy: 1.8055722461553183
Energy: 2.127281986231534
Energy: 1.805572246153731
Energy: 2.1530472498209314
Energy: 1.9856057997650685
Energy: 2.382901720033988
Energy: 1.9856057997650685
Energy: 1.5795257297123335
Energy: 1.8381172291188275
Energy: 2.3812245683798925
Energy: 1.8381172291188275
Energy: 1.5790524697113417
Energy: 1.8383039828044523
Energy: 2.152568830729729
Energy: 1.8383039828060395
Energy: 2.0091463656480806
Energy: 1.8390357155404455
Energy: 2.1393202723620623
Energy: 1.8390357155388581
Energy: 2.3819479925399936
Energy: 1.8391174154238836
Energy: 2.1521571154398242
Energy: 1.8391174154238836
Energy: 2.6238587732201766
Energy: 1.9853813045410802
Energy: 10.586357440697528
Energy: 1.9853813045410802

minimum gb energy = 1.5783074651715379 eV
minimum distance =  2.46876015032645 Angstroms
sigma value = 25


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

Energy: 2.3720228200206424
Energy: 1.929995401556567
Energy: 8.431444637517627
Energy: 8.335287382813336
Energy: 2.1258647663412202
Energy: 1.7552252316051768
Energy: 1.9741689995112683
Energy: 1.7552252316051768
Energy: 2.2296145308318667
Energy: 1.6970161659260579
Energy: 1.6983324298948954
Energy: 1.6970161659260579
Energy: 2.384412251115597
Energy: 1.7371838948306344
Energy: 1.7350972393136768
Energy: 1.7371838948306344
Energy: 2.04240266335202
Energy: 1.8086070084354782
Energy: 2.227273254818044
Energy: 1.8086070084354782
Energy: 2.2873061052020787
Energy: 1.7389842156742041
Energy: 2.2291839694722015
Energy: 1.738984215666351
Energy: 7.37466427503543
Energy: 1.9338618514516035
Energy: 2.3742848217374535
Energy: 1.9338618514516035
Energy: 1.7353367019038926
Energy: 1.7366831265887064
Energy: 2.2727386550290554
Energy: 1.7366831265887064
Energy: 1.6941366146607553
Energy: 1.696413370997863
Energy: 2.2292531751180413
Energy: 1.696413370997863
Energy: 1.8231820840872441
Energy: 1.758329794151361
Energy: 2.32157457414474
Energy: 1.7583297941474343
Energy: 12.958027174534442
Energy: 1.7545773830689755
Energy: 2.501353071170109
Energy: 1.7545773532092535
Energy: 2.3068882613299575
Energy: 1.9746985580564453
Energy: 2.4406794824012534
Energy: 1.9746985580564453
Energy: 2.01337713198411
Energy: 1.9194775858783695
Energy: 2.320680869543191
Energy: 1.9194775858783695
Energy: 2.009069789952153
Energy: 1.9195947894692686
Energy: 2.0909934937434924
Energy: 1.9195947894692686
Energy: 2.113052996637552
Energy: 1.6993892646286741
Energy: 2.0563652377579573
Energy: 1.6993892676860958
Energy: 2.2279041088908005
Energy: 1.9190208371478623
Energy: 2.086331458041453
Energy: 1.9190208371478623
Energy: 2.1260428756399428
Energy: 1.9752789395194055
Energy: 7.798731136943279
Energy: 1.9752789395194055

minimum gb energy = 1.6941366146607553 eV
minimum distance =  2.52528801007505 Angstroms
sigma value = 17


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

Energy: 3.275132756774121
Energy: 1.6897032576969702
Energy: 10.47465245268607
Energy: 6.39671151359373
Energy: 2.058944567570744
Energy: 1.7107649552288395
Energy: 2.0628595590981007
Energy: 1.71076495522328
Energy: 2.099845801811839
Energy: 1.712260450291117
Energy: 1.7167631753975943
Energy: 1.7122604502922287
Energy: 2.139996965961508
Energy: 1.7339341022189396
Energy: 1.7927676259113192
Energy: 1.7339341022189396
Energy: 2.1573551558929913
Energy: 1.8832725999059954
Energy: 2.0832180466243324
Energy: 1.8832725999059954
Energy: 2.208792658318018
Energy: 1.671490383680817
Energy: 2.0872543356867417
Energy: 1.671490383681929
Energy: 5.729113829455777
Energy: 1.8956243702296542
Energy: 2.146617554817414
Energy: 1.8956243702296542
Energy: 1.8945310890510907
Energy: 1.894546018900957
Energy: 2.3527293250588186
Energy: 1.894546018903181
Energy: 1.7167573519384578
Energy: 1.6707158667709392
Energy: 2.0993715307388605
Energy: 1.670715866772051
Energy: 1.7204064943297417
Energy: 1.671074197742278
Energy: 2.2737841813306066
Energy: 1.6710741977400545
Energy: 1.8443146201568745
Energy: 1.6986870719901697
Energy: 2.1520017816399823
Energy: 1.6986870719890579
Energy: 2.1376016734766163
Energy: 1.7652985706998243
Energy: 2.256245792554157
Energy: 1.7652985707009365
Energy: 2.159133083641383
Energy: 1.7658917105162388
Energy: 2.1352097048473384
Energy: 1.7658917105151268
Energy: 2.146951088701477
Energy: 1.7634263807639707
Energy: 5.105360346977705
Energy: 1.7634263805272379
Energy: 2.2548561418706137
Energy: 1.6721237481216622
Energy: 1.713991745374524
Energy: 1.6721237481227742
Energy: 2.1673282991042653
Energy: 1.6732215380950244
Energy: 1.7425803691621824
Energy: 1.6732215380950244
Energy: 2.2533500994423963
Energy: 1.8982344408427405
Energy: 1.8934323505374089
Energy: 1.8982344408427405
Energy: 2.252621011631216
Energy: 1.899413371845617
Energy: 2.2401441793788752
Energy: 1.899413371846729
Energy: 2.0879831929861963
Energy: 1.7928445305165315
Energy: 2.162864016540619
Energy: 1.7928445305165315
Energy: 2.090405521893377
Energy: 2.0672542862743772
Energy: 2.1078661765733173
Energy: 2.0672542862677057
Energy: 1.7342268621076409
Energy: 1.7314309459957427
Energy: 2.1153294554464743
Energy: 1.7314309459957427
Energy: 1.7094034122624255
Energy: 1.713458242082397
Energy: 2.103706406535541
Energy: 1.7134582420801732
Energy: 2.143421985550134
Energy: 2.1423617419819183
Energy: 2.2355649779708995
Energy: 2.1423617419819183
Energy: 8.923854524307473
Energy: 1.7123973353710373
Energy: 2.2525142459893663
Energy: 1.7123973353621422
Energy: 2.048227859562978
Energy: 1.7116172848670532
Energy: 2.070262158359537
Energy: 1.711617284868165
Energy: 1.9043866725918404
Energy: 1.7111212536382983
Energy: 2.1052573947155535
Energy: 1.7111212536371863
Energy: 1.9324796839830176
Energy: 1.7123038122255032
Energy: 1.9614053432594913
Energy: 1.7123038122099874
Energy: 2.097852337728267
Energy: 1.7108420076040265
Energy: 1.9058520095126377
Energy: 1.7108420076062503
Energy: 2.097430409711937
Energy: 1.711685728736766
Energy: 2.182261667041266
Energy: 1.711685728737878
Energy: 2.3531083425339236
Energy: 6.4444937783013785
Energy: 9.90720071877909
Energy: 6.223982051974323

minimum gb energy = 1.6707158667709392 eV
minimum distance =  1.5804940092406 Angstroms
sigma value = 53


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

Energy: 1.4497789056308028
Energy: 1.4885072736483782
Energy: 14.690035231043218
Energy: 14.055414454059243
Energy: 1.4513716436227426
Energy: 1.50168693056417
Energy: 1.8075788892822522
Energy: 1.50168693056417
Energy: 1.9418128710293485
Energy: 1.5280750973396713
Energy: 1.4834417514030314
Energy: 1.5280750973371116
Energy: 1.9518870924921412
Energy: 1.825574020388728
Energy: 2.177470176824714
Energy: 1.825574020388728
Energy: 2.10601685915439
Energy: 1.8933499891399546
Energy: 2.175982185807233
Energy: 1.8933499891373948
Energy: 1.945326282698294
Energy: 1.5286439067426667
Energy: 2.174079811564953
Energy: 1.5286439067426667
Energy: 14.765107828129347
Energy: 13.87785580050531
Energy: 1.4589592371764672
Energy: 13.875100602458875
Energy: 14.735328987946586
Energy: 1.5009025041177115
Energy: 1.4506520678669907
Energy: 1.5009025041177115
Energy: 1.8027652967351464
Energy: 1.5004941383819281
Energy: 1.9420032707474382
Energy: 1.5004941383819281
Energy: 1.8039618941761322
Energy: 1.5285563170506233
Energy: 1.948204558525515
Energy: 1.5285563170506233
Energy: 2.1770776346074405
Energy: 1.5038278970343506
Energy: 2.1060357753472565
Energy: 1.5038278970343506
Energy: 2.1796133033774128
Energy: 1.8281947799937908
Energy: 1.9489149167521664
Energy: 1.8281947799937908
Energy: 1.4505158723292924
Energy: 1.5283739552890823
Energy: 15.31768756399284
Energy: 1.5283739552890823

minimum gb energy = 1.4497789056308028 eV
minimum distance =  2.47094571880655 Angstroms
sigma value = 9


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

Energy: 2.972126162968841
Energy: 2.0128961052061105
Energy: 10.394239559950568
Energy: 6.023526453034763
Energy: 2.549294184154924
Energy: 1.979504142177106
Energy: 2.312459333741378
Energy: 1.9795041421790007
Energy: 2.0369993803404918
Energy: 1.9239617790376147
Energy: 1.9238650057786888
Energy: 1.9239617790366674
Energy: 1.9222566668416854
Energy: 1.8584138895197437
Energy: 1.8541661287232385
Energy: 1.8584138895187965
Energy: 1.8533181844199054
Energy: 1.8589469999068928
Energy: 1.9761417041064455
Energy: 1.8589469999068928
Energy: 2.164551136320397
Energy: 1.9189754903732295
Energy: 2.0707712379676284
Energy: 1.9189754903713347
Energy: 7.734359314036483
Energy: 2.2598803529015936
Energy: 2.512626620321813
Energy: 2.2598803529034885
Energy: 7.7306830137139455
Energy: 2.3687373858849696
Energy: 2.5094189142507295
Energy: 2.3687373858849696
Energy: 2.080232689043808
Energy: 1.8771299883659638
Energy: 2.2208568600546954
Energy: 1.8771299883650163
Energy: 1.9234503863856436
Energy: 1.9385848222424171
Energy: 1.7790602034976775
Energy: 1.9385848222414699
Energy: 2.093171848385085
Energy: 1.7792540827747245
Energy: 1.777802497810105
Energy: 1.779254082773777
Energy: 2.072884063276945
Energy: 1.8203678721770915
Energy: 1.9375292195960516
Energy: 1.8203678721751966
Energy: 2.5129526603897325
Energy: 2.0856783906471263
Energy: 2.086872307769391
Energy: 2.0856783906471263
Energy: 2.5122536202812977
Energy: 2.0854685369126646
Energy: 7.401763753797978
Energy: 2.0854685369117174
Energy: 2.5152948024744064
Energy: 1.8080113376413003
Energy: 2.4678798801934243
Energy: 1.8080113376413003
Energy: 2.0934585842015663
Energy: 1.809026751281502
Energy: 2.243354582701666
Energy: 1.8090267512644485
Energy: 1.817838082854678
Energy: 1.8088547512052602
Energy: 2.329375992621139
Energy: 1.8088547512062076
Energy: 1.9125734846418816
Energy: 1.8288163479836974
Energy: 2.333687841457163
Energy: 1.8288163479846449
Energy: 1.9218302612844569
Energy: 1.919287020155112
Energy: 2.518138228618194
Energy: 1.9192870201560595
Energy: 2.06703979963514
Energy: 1.9189643483339938
Energy: 2.409351865825807
Energy: 1.9189643483330463
Energy: 2.536346894819055
Energy: 1.9118387022775287
Energy: 2.546518793566355
Energy: 1.9118387022784757
Energy: 2.420370156068168
Energy: 1.9230310449239498
Energy: 2.3371520914019266
Energy: 1.923031044925845
Energy: 2.4496412004145887
Energy: 1.9227250303841048
Energy: 5.021824943580219
Energy: 1.9227250303841048
Energy: 2.48039528024976
Energy: 1.8750756104604835
Energy: 1.9400022829250305
Energy: 1.8750756104604835
Energy: 2.3223346597335657
Energy: 1.8460395073286704
Energy: 1.8081895108414472
Energy: 1.8460395073305653
Energy: 2.099776180920603
Energy: 1.809643907088654
Energy: 1.811922201316665
Energy: 1.8096439071009274
Energy: 2.329430075246678
Energy: 1.808493619262119
Energy: 2.348995719752241
Energy: 1.8084936192564345
Energy: 2.471995885651504
Energy: 2.0499029710462304
Energy: 2.5884263895048885
Energy: 2.0499029710471777
Energy: 5.540510976910281
Energy: 2.0857806068080094
Energy: 2.5453145303939233
Energy: 2.0857806068070617
Energy: 2.085421291639684
Energy: 2.0579706022302098
Energy: 2.3743558066621713
Energy: 2.0579706022321047
Energy: 1.7831337172929052
Energy: 1.9130587383034963
Energy: 2.1563230174241483
Energy: 1.9130587383025488
Energy: 1.7787903164270964
Energy: 1.7815247677433188
Energy: 2.0736120401986775
Energy: 1.7815247677442663
Energy: 2.255047932572716
Energy: 1.936009670745696
Energy: 2.082088934781476
Energy: 1.9360096707466432
Energy: 2.2427298430979095
Energy: 1.8007998974657746
Energy: 2.39461936987004
Energy: 1.8007998974657746
Energy: 2.5065413889923263
Energy: 5.811590656328567
Energy: 9.209890303581625
Energy: 5.726314226676598

minimum gb energy = 1.777802497810105 eV
minimum distance =  1.57774141456472 Angstroms
sigma value = 73


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

Energy: 2.91927501416024
Energy: 2.1612041908065365
Energy: 6.573438794780388
Energy: 7.1803277543208
Energy: 2.560823775970169
Energy: 2.0187187901058574
Energy: 2.2680515613231274
Energy: 2.018718790113373
Energy: 2.1842825888354236
Energy: 1.9544396506675261
Energy: 1.9215403280673604
Energy: 1.9544396506675261
Energy: 1.92589084351874
Energy: 1.9097260590404823
Energy: 1.9189431842426803
Energy: 1.9097260590404823
Energy: 1.9211812419187044
Energy: 1.9084014941246328
Energy: 2.1581474959560714
Energy: 1.9084014941246328
Energy: 2.1169831205979084
Energy: 1.878410069120178
Energy: 2.0913265796460987
Energy: 1.878410069120178
Energy: 10.186318835086572
Energy: 2.1821261241816527
Energy: 2.6096300813609177
Energy: 2.18212612418015
Energy: 2.399384226349561
Energy: 2.1824184830396636
Energy: 2.5978999150780884
Energy: 2.1824184830396636
Energy: 2.2558483797362308
Energy: 1.93610453004277
Energy: 2.406939903344018
Energy: 1.936104530041267
Energy: 2.0874508303688923
Energy: 1.936961669192558
Energy: 1.8196629782555407
Energy: 1.9369616691910547
Energy: 2.224801064041014
Energy: 1.818901470162353
Energy: 1.8182463423300572
Energy: 1.818901470162353
Energy: 2.3408101456061976
Energy: 1.8641600531853317
Energy: 1.9415485780378854
Energy: 1.8641600531853317
Energy: 2.2442561052334318
Energy: 1.9340356842533515
Energy: 1.9341733722089023
Energy: 1.9340356842533515
Energy: 2.239580689285331
Energy: 1.9347808072345083
Energy: 2.5538701549540392
Energy: 1.9347808072345083
Energy: 2.4579293628364463
Energy: 1.907895991130079
Energy: 2.5625389766401425
Energy: 1.907895991130079
Energy: 6.568959305994673
Energy: 1.9358853689858935
Energy: 2.4672084055532433
Energy: 1.9358853689858935
Energy: 1.939933560730022
Energy: 1.9337512916896753
Energy: 2.4623764924244056
Energy: 1.9337512916881723
Energy: 2.0271170775442298
Energy: 1.8647728657691724
Energy: 2.31023189593696
Energy: 1.8647728657691724
Energy: 1.8180504115481446
Energy: 1.8194214839095884
Energy: 2.2459823752378143
Energy: 1.8194214837307812
Energy: 1.9259616300815392
Energy: 1.9366493961373066
Energy: 2.2525024483659317
Energy: 1.9366493961373066
Energy: 2.2690411238121526
Energy: 1.8188693000449485
Energy: 2.2581894255034536
Energy: 1.8188692988564663
Energy: 2.459525638870797
Energy: 2.2654733245459795
Energy: 6.7615821033311
Energy: 2.2654733245444763

minimum gb energy = 1.8180504115481446 eV
minimum distance =  2.44739316324694 Angstroms
sigma value = 7


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

Energy: 3.448985364341139
Energy: 1.9918776308706272
Energy: 8.404387069340219
Energy: 8.299709706002764
Energy: 2.4932679403488662
Energy: 1.9499586633885349
Energy: 2.187080401241394
Energy: 1.9499586633885349
Energy: 2.0896264639365536
Energy: 2.001631935211983
Energy: 1.9793649689497759
Energy: 2.0016319352109204
Energy: 1.9829457701954083
Energy: 1.9550944866909665
Energy: 1.9815991871286507
Energy: 1.9550944866909665
Energy: 1.9828243052212755
Energy: 1.9474904868372063
Energy: 2.0796876043582286
Energy: 1.9474904868361431
Energy: 2.089228850904304
Energy: 1.935095654270567
Energy: 2.2086743936174384
Energy: 1.935095654270567
Energy: 13.384357529208339
Energy: 2.2349432858359166
Energy: 2.4045695318766933
Energy: 2.2349432858359166
Energy: 2.4560706660438747
Energy: 2.234784668087695
Energy: 2.4011582873648525
Energy: 2.234784668087695
Energy: 2.386835982609491
Energy: 2.0038840737973085
Energy: 2.27920540096385
Energy: 2.003884073802623
Energy: 2.0971276939604846
Energy: 2.0040344544694446
Energy: 7.944230510523699
Energy: 2.0040344544683815
Energy: 2.369269137483012
Energy: 1.9200013187144453
Energy: 1.8838083997237662
Energy: 1.9200013187250744
Energy: 2.3688878594442193
Energy: 1.9621257556135492
Energy: 1.889995287668584
Energy: 1.9621257556135492
Energy: 2.4001262399215495
Energy: 1.8863422497209323
Energy: 1.8894018801489896
Energy: 1.886342248218682
Energy: 2.4060007455000934
Energy: 2.0036507892276063
Energy: 2.2109537989360195
Energy: 2.0036507892276063
Energy: 2.4852484044268155
Energy: 1.948981207045181
Energy: 2.228925931073223
Energy: 1.9489812070473072
Energy: 8.478720059158
Energy: 8.56937032280553
Energy: 2.6768797467774164
Energy: 8.51985190358711
Energy: 8.044165252843214
Energy: 1.951587279938195
Energy: 2.686080041477983
Energy: 1.951587279938195
Energy: 2.125393824618388
Energy: 1.921308955576934
Energy: 2.1910107187981906
Energy: 1.9213089555779967
Energy: 1.9940182273065286
Energy: 1.9543067370705083
Energy: 1.9860379603473535
Energy: 1.9543067370705083
Energy: 2.090051907592442
Energy: 1.962309546867471
Energy: 1.9841925670301555
Energy: 1.962309546868534
Energy: 2.1957667407224526
Energy: 1.913098065191401
Energy: 2.018889739872873
Energy: 1.9130980651786464
Energy: 2.3961516873125634
Energy: 2.2340927936811776
Energy: 2.2346191545877416
Energy: 2.2340927936801145
Energy: 2.3982424810002585
Energy: 2.234196144532861
Energy: 2.5374039434028055
Energy: 2.234196144532861
Energy: 2.2829982815855887
Energy: 1.920209706114548
Energy: 2.3820313485743134
Energy: 1.920209706114548
Energy: 7.916843898156797
Energy: 2.003946938457582
Energy: 2.099561873346504
Energy: 2.0039469384522675
Energy: 1.8906761123706692
Energy: 1.885603698612096
Energy: 2.094552800882012
Energy: 1.885603698612096
Energy: 1.8645971678357365
Energy: 1.9590782093932266
Energy: 2.3730106633481154
Energy: 1.9590782093932266
Energy: 1.8841225147318361
Energy: 1.8885385818477358
Energy: 2.405707125175276
Energy: 1.8885385818498617
Energy: 1.9670104699931243
Energy: 2.0043821096148484
Energy: 2.4033924244596947
Energy: 2.004382109625477
Energy: 2.2142533600575702
Energy: 1.8852511226614317
Energy: 2.3211967929696065
Energy: 1.8852511226614317
Energy: 2.784319313036591
Energy: 2.1820536553264795
Energy: 8.236214646444914
Energy: 2.1820536553275427

minimum gb energy = 1.8645971678357365 eV
minimum distance =  2.44538321590327 Angstroms
sigma value = 29


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

Energy: 2.523261862464256
Energy: 2.0484501512716857
Energy: 11.189744346191837
Energy: 11.127402357807759
Energy: 2.1322336215703577
Energy: 1.950194097483535
Energy: 1.921109615188389
Energy: 1.9501940974839052
Energy: 1.9239111704393201
Energy: 1.9488978482865935
Energy: 1.9827376844993259
Energy: 1.948897848287293
Energy: 1.9836578825522673
Energy: 1.8559998974308425
Energy: 1.7529928428094066
Energy: 1.8559998974301022
Energy: 1.986856712215515
Energy: 1.8619948819603445
Energy: 1.9951491174802085
Energy: 1.861994881959604
Energy: 1.967978435121867
Energy: 1.8458279066345147
Energy: 1.9940388164315794
Energy: 1.8458279066345147
Energy: 2.1524344940958002
Energy: 2.147101314633454
Energy: 1.9960658980188581
Energy: 2.147101315608612
Energy: 2.154617440740196
Energy: 2.1527041331170897
Energy: 2.0789748607937777
Energy: 2.1527041331167194
Energy: 2.166364614848555
Energy: 1.949805289010615
Energy: 1.9907455130720635
Energy: 1.949805289010615

minimum gb energy = 1.7529928428094066 eV
minimum distance =  2.47218247320114 Angstroms
sigma value = 5


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

Energy: 2.7528788027204634
Energy: 2.400350205049718
Energy: 10.325895909420339
Energy: 5.830752071172692
Energy: 2.2016343518586967
Energy: 2.1281138659127055
Energy: 2.1082501694332287
Energy: 2.1281138659127055
Energy: 2.017411177800144
Energy: 1.9854735970513433
Energy: 2.291028487616443
Energy: 1.9854735970523472
Energy: 1.9504140852384986
Energy: 1.9638768720410333
Energy: 2.2344221622342775
Energy: 1.9638768720390254
Energy: 1.9493829774984444
Energy: 1.9655030969578968
Energy: 2.1338716239503146
Energy: 1.9655030969578968
Energy: 1.9421687694218899
Energy: 1.955690803649949
Energy: 2.136770994428531
Energy: 1.955690803649949
Energy: 1.9362959234573531
Energy: 1.959364989911204
Energy: 2.1411150466003295
Energy: 1.9593649899091963
Energy: 2.087313442722363
Energy: 2.024440836895135
Energy: 2.1420741458814043
Energy: 2.0244408368961393
Energy: 2.2333515696604676
Energy: 1.964876504732434
Energy: 1.9640943469929792
Energy: 1.964876504732434
Energy: 2.3395046312377987
Energy: 2.305234969345577
Energy: 7.745988901293376
Energy: 2.3052349693465812
Energy: 2.3407362885715686
Energy: 1.9669992311649867
Energy: 2.087183967273621
Energy: 1.9669992311669946
Energy: 5.56239712953311
Energy: 2.1416501933931302
Energy: 2.43843525227448
Energy: 2.1416501933921257
Energy: 4.95463020606283
Energy: 2.1422239998212786
Energy: 2.4429376714284667
Energy: 2.1422239998242905
Energy: 1.9679543257582404
Energy: 1.965447725597021
Energy: 2.0846298662012086
Energy: 1.965447725599029
Energy: 2.139278904292412
Energy: 2.0022590246033247
Energy: 2.0615979509989137
Energy: 2.0022590246033247
Energy: 2.10499300254715
Energy: 1.9589185743012139
Energy: 1.9505762405983829
Energy: 1.958918574302218
Energy: 2.133451079067712
Energy: 2.1746529508941705
Energy: 1.9692216274312229
Energy: 2.1746529508941705
Energy: 2.235688198208582
Energy: 1.9584833722874457
Energy: 1.9459140931403325
Energy: 1.9584833722884496
Energy: 2.3429437389650816
Energy: 2.0041989295140525
Energy: 1.9576281441165206
Energy: 2.004198929512045
Energy: 2.256178598401408
Energy: 1.9460041185987347
Energy: 2.019900716285776
Energy: 1.9460041186007426
Energy: 8.14247527568537
Energy: 2.3195821105491397
Energy: 2.5077974297023444
Energy: 2.3195821105491397
Energy: 8.12023797974696
Energy: 2.3209397672688548
Energy: 2.5106390794712357
Energy: 2.320939767269859
Energy: 2.4108898555053813
Energy: 1.9466058233934527
Energy: 2.0167165208157702
Energy: 1.9466058233914447
Energy: 2.445073270869041
Energy: 2.0243670246609473
Energy: 4.898073791972053
Energy: 2.024367024661952
Energy: 2.3412029792757623
Energy: 1.9449433093120627
Energy: 2.023810100393645
Energy: 1.9449433093130668
Energy: 2.1198505720577447
Energy: 2.0872340252586756
Energy: 2.0407596697154773
Energy: 2.0872340252586756
Energy: 1.9952904108772158
Energy: 1.9660088301859535
Energy: 1.996496139132559
Energy: 1.9660088301859535
Energy: 1.9951338952158821
Energy: 1.9632158699276832
Energy: 2.0041907201617652
Energy: 1.9632158699286872
Energy: 1.9484341333777264
Energy: 2.100497910261689
Energy: 2.1212753515221556
Energy: 2.100497910261689
Energy: 2.028475274668183
Energy: 2.0255171111222134
Energy: 2.337865907224279
Energy: 2.0255171111222134
Energy: 2.108352548466778
Energy: 2.0289207017398656
Energy: 2.3379777577078946
Energy: 2.0289207017408697
Energy: 2.094689128490004
Energy: 1.9479077495823358
Energy: 2.165612413167662
Energy: 1.9479077495823358
Energy: 2.58243844700053
Energy: 5.83161070260276
Energy: 10.607233230973662
Energy: 5.869067565542498

minimum gb energy = 1.9362959234573531 eV
minimum distance =  1.5808249752031 Angstroms
sigma value = 1


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

Energy: 3.032971166759985
Energy: 1.8881876883425164
Energy: 9.177907855383106
Energy: 9.328778755294694
Energy: 2.2196438867347696
Energy: 2.0036611160452975
Energy: 1.9642620497432757
Energy: 2.0036611160439097
Energy: 1.9857909008833485
Energy: 1.8909982276678199
Energy: 1.9969936600111358
Energy: 1.8909982276678199
Energy: 1.8801860668950092
Energy: 1.8726458346639054
Energy: 1.880364079065635
Energy: 1.8726458346652937
Energy: 1.8934011227557455
Energy: 1.8882014280225095
Energy: 2.0413883313184815
Energy: 1.8882014280225095
Energy: 1.8938559561820145
Energy: 1.887444761839093
Energy: 2.04129687211577
Energy: 1.887444761839093
Energy: 1.8824325085871858
Energy: 1.8723670121472078
Energy: 2.166604158420916
Energy: 1.8723670121472078
Energy: 1.986936470249984
Energy: 1.881932192131062
Energy: 2.151605153167506
Energy: 1.881932192131062
Energy: 1.9870132215866931
Energy: 2.005265397320891
Energy: 2.1516499307015526
Energy: 2.0052653973195023
Energy: 2.1582136762225983
Energy: 2.2719068325390657
Energy: 2.280030081818033
Energy: 2.2719068325390657
Energy: 1.9876579107729948
Energy: 2.007320245412047
Energy: 2.1537997257205546
Energy: 2.007320245396777
Energy: 9.252692807109467
Energy: 2.0016842816130125
Energy: 2.395152844254538
Energy: 2.0016842816130125
Energy: 9.316277711436676
Energy: 1.8731959009160397
Energy: 2.4394219360784795
Energy: 1.8731959008563772
Energy: 1.9634236785164287
Energy: 2.1488082330380447
Energy: 1.9607547781655128
Energy: 2.1488082330380447
Energy: 1.8887124819281413
Energy: 1.8736149094901522
Energy: 1.8957524991309715
Energy: 1.8736149094901522
Energy: 1.8819463625503121
Energy: 1.8867387558113087
Energy: 1.892182107663736
Energy: 1.8867387558113087
Energy: 2.0418409095537293
Energy: 1.9838305335204651
Energy: 2.039490202241032
Energy: 1.9838305335204651
Energy: 1.9964509719281396
Energy: 1.8812837711999537
Energy: 1.895664332153224
Energy: 1.8812837711999537
Energy: 2.1666495602612397
Energy: 1.8743808870951104
Energy: 1.9017381534180182
Energy: 1.8743808870951104
Energy: 2.1492569665999293
Energy: 2.006205598567433
Energy: 1.9881018864252833
Energy: 2.0062055985688216
Energy: 2.273222059552268
Energy: 2.276031882752743
Energy: 2.1584101604214645
Energy: 2.2760318827541317
Energy: 2.278522004776219
Energy: 2.257315081528818
Energy: 2.1583574804149244
Energy: 2.2573150815302068
Energy: 2.152605481114484
Energy: 2.006917447301957
Energy: 1.989009503154621
Energy: 2.0069174472991804
Energy: 2.439073120192534
Energy: 1.874986957993498
Energy: 9.292555346916942
Energy: 1.874986957993498

minimum gb energy = 1.8723670121472078 eV
minimum distance =  2.46807588901884 Angstroms
sigma value = 17


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

Energy: 3.188386889478503
Energy: 2.3946741805314153
Energy: 9.250292814715955
Energy: 5.563794157970134
Energy: 2.0282447868825155
Energy: 2.05329492669621
Energy: 2.1911761694731116
Energy: 2.05329492669621
Energy: 1.981208995467035
Energy: 1.9018864655530312
Energy: 2.3037782018968804
Energy: 1.9018864655556054
Energy: 1.9146840623697403
Energy: 1.903081329207056
Energy: 2.3046352251503466
Energy: 1.903081329206198
Energy: 1.9499922731251034
Energy: 1.90661667075998
Energy: 2.078453762274454
Energy: 1.9066166707582644
Energy: 1.9541331963127464
Energy: 1.8749564920121167
Energy: 2.0390664611746185
Energy: 1.8749564920104005
Energy: 1.9547281227811468
Energy: 1.8761869957042594
Energy: 1.967331411474817
Energy: 1.8761869957042594
Energy: 2.080093064786045
Energy: 1.9386676877251259
Energy: 1.9539221050578084
Energy: 1.9386676877242677
Energy: 2.080276157062919
Energy: 1.904131405482301
Energy: 1.9448508887335156
Energy: 1.904131405480585
Energy: 2.221352331013234
Energy: 1.903906810628531
Energy: 1.9120566313413125
Energy: 1.903906810628531
Energy: 2.2781793668969756
Energy: 1.955895660280256
Energy: 1.9754459413092638
Energy: 1.9558956602776818
Energy: 7.192117683885797
Energy: 2.279528848684625
Energy: 2.2891719673125843
Energy: 2.279528848682051
Energy: 7.47673996409859
Energy: 2.281606181175811
Energy: 2.539188583721801
Energy: 2.2816061811740944
Energy: 2.2146629015592176
Energy: 2.1898474430615336
Energy: 2.0065061775136686
Energy: 2.1898474430598176
Energy: 2.312939252250223
Energy: 2.0215102690873405
Energy: 4.722002123568629
Energy: 2.0215102690873405
Energy: 2.3411199969961927
Energy: 1.9376736696753465
Energy: 1.9359295627379496
Energy: 1.9376736696744883
Energy: 2.0765960857032653
Energy: 2.062838236419391
Energy: 2.035524299870443
Energy: 2.062838236419391
Energy: 1.9049071528803163
Energy: 1.8929971576199367
Energy: 2.0679230699659272
Energy: 1.8929971576190785
Energy: 1.9100401594735532
Energy: 1.8769869606256766
Energy: 2.0525606885287995
Energy: 1.876986960627393
Energy: 1.9645621109600029
Energy: 2.0880426236238723
Energy: 2.0734041359003395
Energy: 2.0880426236238723
Energy: 1.9434017888344215
Energy: 1.8803960308594923
Energy: 2.136700818390695
Energy: 1.8803960308569179
Energy: 1.9444515829372822
Energy: 1.8785722649241787
Energy: 2.2303318629465743
Energy: 1.878572264925895
Energy: 2.047283675382176
Energy: 2.0941907263173185
Energy: 2.0829396608946147
Energy: 2.094190726315602
Energy: 2.406036800080419
Energy: 2.255273547778292
Energy: 6.838227572897391
Energy: 2.255273547775718
Energy: 2.2083594534950812
Energy: 2.043106624128902
Energy: 2.10706910249085
Energy: 2.0431066241306177
Energy: 2.045821273678432
Energy: 2.008409001655175
Energy: 1.997047746630278
Energy: 2.008409001657749
Energy: 8.92559831856184
Energy: 5.122194309414266
Energy: 2.507979496639418
Energy: 5.141179340285739
Energy: 2.009790540285184
Energy: 1.9863788453396487
Energy: 2.0608017148599154
Energy: 1.9863788453405067
Energy: 2.17917972818062
Energy: 1.8811560148579793
Energy: 2.0460259495536404
Energy: 1.8811560148571211
Energy: 2.1366889315533752
Energy: 1.8794712786234733
Energy: 1.8957881977985844
Energy: 1.8794712786226153
Energy: 2.067833816740175
Energy: 1.8832540762956615
Energy: 1.9008933044039336
Energy: 1.8832540762948036
Energy: 2.07161616327783
Energy: 1.8809329251765572
Energy: 1.90108666638017
Energy: 1.8809329251774152
Energy: 2.0681929366021916
Energy: 1.886101496373346
Energy: 1.903916805137769
Energy: 1.886101496373346
Energy: 2.065552256742384
Energy: 1.874430287383898
Energy: 2.0822589170794505
Energy: 1.8744302873881882
Energy: 1.9868379933666498
Energy: 1.955121389939746
Energy: 2.0778861251374905
Energy: 1.9551213899380295
Energy: 6.990456810160489
Energy: 2.0219383719414314
Energy: 2.4079531015874402
Energy: 2.021938371944864
Energy: 1.9807956984449269
Energy: 1.9552211547597662
Energy: 2.1432770833499197
Energy: 1.955221154758908
Energy: 2.060109372185313
Energy: 2.108180211182032
Energy: 5.334940052711473
Energy: 2.108180211184606

minimum gb energy = 1.874430287383898 eV
minimum distance =  2.44685196525177 Angstroms
sigma value = 89


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

Energy: 3.280525525321301
Energy: 1.8471892777594994
Energy: 7.767431363827182
Energy: 8.004312945103802
Energy: 2.014810833387492
Energy: 1.9284856137804485
Energy: 1.929790570242846
Energy: 1.9284856137804485
Energy: 8.05476525108354
Energy: 1.7895095175146096
Energy: 1.9681790879000443
Energy: 1.7895095175146096
Energy: 7.914005609994997
Energy: 1.7909935424217507
Energy: 1.9673508063177962
Energy: 1.7909935424217507
Energy: 1.805239017598027
Energy: 1.7910729623392128
Energy: 1.9922495869658698
Energy: 1.7910729623392128
Energy: 1.8702837881361511
Energy: 1.781477781366719
Energy: 1.9961852832093459
Energy: 1.7814777813644738
Energy: 1.8705878198237076
Energy: 1.7467700712642542
Energy: 1.8699550605375714
Energy: 1.746770071262009
Energy: 1.9921751481760215
Energy: 1.8856694737675839
Energy: 1.8749845676426273
Energy: 1.8856694737675839
Energy: 1.9912573999068892
Energy: 1.791819438253201
Energy: 1.803442864831061
Energy: 1.791819438253201
Energy: 2.1971494902336177
Energy: 1.7914715287633551
Energy: 1.8042136563971005
Energy: 1.7914715287633551
Energy: 2.0340904898266965
Energy: 1.7911085762020151
Energy: 1.9522684633679241
Energy: 1.7911085762020151
Energy: 1.9270433282086754
Energy: 1.9270271641014596
Energy: 2.190601011235783
Energy: 1.9270271641014596
Energy: 13.322886089887172
Energy: 2.2163574096246816
Energy: 2.1902967346991336
Energy: 2.2163574096246816
Energy: 1.951528464349074
Energy: 1.9274108874642686
Energy: 1.952309410950087
Energy: 1.9274108874642686
Energy: 2.4156762941886476
Energy: 1.7907055357557322
Energy: 7.944375285878075
Energy: 1.7907055357534871

minimum gb energy = 1.746770071262009 eV
minimum distance =  2.48339273775258 Angstroms
sigma value = 13


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

Energy: 2.067333649664018
Energy: 1.804248262498321
Energy: 7.03659511555884
Energy: 7.390037102286548
Energy: 2.014783920463441
Energy: 1.7454117804873914
Energy: 1.9067752195065655
Energy: 1.7454117804883325
Energy: 7.416138044632739
Energy: 1.7405431977240584
Energy: 2.0044255253107686
Energy: 1.7405431977240584
Energy: 6.978120015797936
Energy: 1.7409389431590865
Energy: 1.9953121023204823
Energy: 1.7409389431600275
Energy: 1.8796068360560751
Energy: 1.7429122960106431
Energy: 1.962397887523768
Energy: 1.7429122960106431
Energy: 1.8862931452712846
Energy: 1.6549194296767809
Energy: 1.8349767677765743
Energy: 1.6549194296767809
Energy: 1.8896839421152496
Energy: 1.6534227089070388
Energy: 1.7724987470905658
Energy: 1.6534227089060978
Energy: 1.9056075814321585
Energy: 1.783309669379974
Energy: 1.759563796650534
Energy: 1.783309669381856
Energy: 1.9046324224118079
Energy: 1.6572942775993733
Energy: 1.753228508551096
Energy: 1.6572942775984323
Energy: 1.8806113642217481
Energy: 1.65975697645653
Energy: 1.7537866143831218
Energy: 1.6597569764574711
Energy: 1.8838740100555817
Energy: 1.8051530173855148
Energy: 1.968174208042375
Energy: 1.8051530173855148
Energy: 1.7725166217598598
Energy: 1.7408805833879832
Energy: 1.9640301224481378
Energy: 1.7408805833832788
Energy: 1.7748632853133872
Energy: 1.7428471266029948
Energy: 2.1862245838115673
Energy: 1.7428471266039356
Energy: 1.9212379634049086
Energy: 1.7432390774927635
Energy: 2.0292139957853825
Energy: 1.7432390774927635
Energy: 2.1833632030613512
Energy: 1.9053088531633195
Energy: 11.745458982503624
Energy: 1.9053088531623785
Energy: 2.1896123503628844
Energy: 1.7413801744024993
Energy: 7.690696026882728
Energy: 1.7413801744024993
Energy: 1.9200502738194283
Energy: 1.9058545486892708
Energy: 1.9220040694736913
Energy: 1.905854548682684
Energy: 7.305660803186868
Energy: 7.644569089668392
Energy: 1.9965356708936752
Energy: 7.72835306918682
Energy: 7.620516717108876
Energy: 1.744124474012936
Energy: 2.015868784598971
Energy: 1.744124474014818
Energy: 2.0247678998007577
Energy: 1.7422983299419663
Energy: 7.715598973449168
Energy: 1.7422983299438484
Energy: 2.068901579681479
Energy: 1.7417710810229576
Energy: 6.958244044812601
Energy: 1.7417710810229576
Energy: 1.9631393865390587
Energy: 1.7411896297305358
Energy: 1.780832902199267
Energy: 1.7411896297305358
Energy: 1.8375093094162702
Energy: 1.6557374400078322
Energy: 1.8808174429303384
Energy: 1.6557374400068912
Energy: 1.7677980585197568
Energy: 1.6559894174120353
Energy: 1.757946781278489
Energy: 1.6559894174120353
Energy: 1.7546192003672807
Energy: 1.6618932234572221
Energy: 1.9059856730328244
Energy: 1.6618932234572221
Energy: 1.7517313055200738
Energy: 1.6579063730259382
Energy: 1.9135884013692395
Energy: 1.6579063730268797
Energy: 1.7633558145128951
Energy: 1.6575479589051711
Energy: 1.882803191366043
Energy: 1.6575479589051711
Energy: 1.9626742243852364
Energy: 1.654507416185562
Energy: 1.8797321416472739
Energy: 1.654507416184621
Energy: 1.963952229796507
Energy: 1.74171462774962
Energy: 1.7750229180110477
Energy: 1.741714627748679
Energy: 1.8788585052811428
Energy: 1.7418919569950848
Energy: 1.7793012163343966
Energy: 1.7418919569978648
Energy: 2.025311978105787
Energy: 1.741888691313802
Energy: 1.9192959085295915
Energy: 1.741888691314743
Energy: 1.9047594495413405
Energy: 1.7426980861342567
Energy: 2.1884605111892435
Energy: 1.7426980861314765
Energy: 12.17935001492278
Energy: 2.1312988526785173
Energy: 2.183202566449737
Energy: 2.1312988526794583
Energy: 1.922011609156755
Energy: 1.9068947374342473
Energy: 1.9220896774129321
Energy: 1.906894737431424
Energy: 2.3741614176155044
Energy: 1.7421557915913888
Energy: 7.222736735234806
Energy: 1.7421557915942119

minimum gb energy = 1.6534227089060978 eV
minimum distance =  2.50410329025758 Angstroms
sigma value = 37


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

Energy: 2.0863231573292635
Energy: 1.7308170206438187
Energy: 6.050491012291455
Energy: 6.351855104323045
Energy: 1.67838692476356
Energy: 1.671305968028196
Energy: 1.70827415768477
Energy: 1.671305968028196
Energy: 6.272512788539829
Energy: 1.670951206134851
Energy: 1.9139678487450937
Energy: 1.6709512061332321
Energy: 6.18898625115551
Energy: 1.670377011505287
Energy: 1.9603389215889788
Energy: 1.670377011505287
Energy: 1.7825012256472472
Energy: 1.831183005102516
Energy: 1.7817196986127037
Energy: 1.831183005102516
Energy: 1.8625191227917544
Energy: 1.5636763795305968
Energy: 1.682961414015711
Energy: 1.5636763795305968
Energy: 1.7504354833431663
Energy: 1.5630249126286768
Energy: 1.6696075615075547
Energy: 1.5630249126302957
Energy: 1.8152598738629195
Energy: 1.7230741100190197
Energy: 1.6823528199846303
Energy: 1.7230741100206384
Energy: 1.7379273508574895
Energy: 1.51812976910737
Energy: 1.699577682333872
Energy: 1.5181297691057514
Energy: 1.7004163296911916
Energy: 1.5191214645179762
Energy: 1.70152218226948
Energy: 1.5191214645179762
Energy: 1.7144581406524222
Energy: 1.6646169408603708
Energy: 1.8160468815651463
Energy: 1.6646169408603708
Energy: 1.6685159889513101
Energy: 1.5637156422832486
Energy: 1.8265623615427398
Energy: 1.5637156422832486
Energy: 1.669159452794592
Energy: 1.563632609451365
Energy: 1.8627125741357224
Energy: 1.563632609451365
Energy: 1.780620720601124
Energy: 1.7337754753117964
Energy: 1.8535984596469475
Energy: 1.7337754753134154
Energy: 1.859306161162611
Energy: 1.6700369940312416
Energy: 1.7015735498438864
Energy: 1.6700369940312416
Energy: 1.8976032631589386
Energy: 1.6699392043585466
Energy: 1.7015909034737
Energy: 1.6699392043585466
Energy: 1.7809342022249002
Energy: 1.8324309842589095
Energy: 1.701644332066291
Energy: 1.8324309842589095
Energy: 10.115072503113495
Energy: 2.014585657216742
Energy: 2.119156523587626
Energy: 2.014585657216742
Energy: 6.348006692969713
Energy: 1.6702976417528765
Energy: 1.9729447918411396
Energy: 1.6702976417528765
Energy: 1.7012434882276535
Energy: 1.6715163873314631
Energy: 1.7016098607604198
Energy: 1.6715163873314631

minimum gb energy = 1.5181297691057514 eV
minimum distance =  2.50743296070301 Angstroms
sigma value = 25


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

Energy: 2.052372951340424
Energy: 1.6180010870180044
Energy: 10.78633884673159
Energy: 5.3835859109483994
Energy: 1.5684521679443477
Energy: 1.7575294208435346
Energy: 1.5964717779749291
Energy: 1.7575294208435346
Energy: 5.663334271786124
Energy: 1.5678796684374807
Energy: 1.8302126677971062
Energy: 1.5678796684374807
Energy: 5.092042458949777
Energy: 1.566531897147288
Energy: 1.7615195941397879
Energy: 1.5665318971460236
Energy: 1.7286140748184005
Energy: 1.7415335667235252
Energy: 1.652206823136898
Energy: 1.7415335667235252
Energy: 1.7585813302207143
Energy: 1.4640140918848716
Energy: 1.5653842346909619
Energy: 1.4640140918861355
Energy: 1.7608185076043286
Energy: 1.463660692043778
Energy: 1.5661083365291744
Energy: 1.4636606920450421
Energy: 1.7002691005871946
Energy: 1.5905024087050579
Energy: 1.6587534803586406
Energy: 1.5905024087050579
Energy: 1.567733113736677
Energy: 1.3833139353464885
Energy: 1.6923012955638563
Energy: 1.3833139353464885
Energy: 1.5694694499925252
Energy: 1.3811744552970664
Energy: 1.6689454783307842
Energy: 1.3811744552958023
Energy: 1.578723555996081
Energy: 1.666689177235154
Energy: 1.6670154134205455
Energy: 1.666689177235154
Energy: 1.5892171017970276
Energy: 1.3525876489984572
Energy: 1.5892812915911265
Energy: 1.3525876489984572
Energy: 1.6371027066318138
Energy: 1.3520475240884742
Energy: 1.5897168479320039
Energy: 1.3520475240884742
Energy: 1.6692136452004578
Energy: 1.3817440077134304
Energy: 1.5687958811763363
Energy: 1.3817440077134304
Energy: 1.6913778725789348
Energy: 1.3811256491755568
Energy: 1.5676805180353344
Energy: 1.3811256491755568
Energy: 1.6928844970530668
Energy: 1.3854530104791378
Energy: 1.6331516036982499
Energy: 1.3854530104791378
Energy: 1.6525081223225428
Energy: 1.4673218205418816
Energy: 1.7011696878301197
Energy: 1.467321820543146
Energy: 1.5682635216587975
Energy: 1.463982777891221
Energy: 1.6921468982090486
Energy: 1.4639827778924854
Energy: 1.6500734939673698
Energy: 1.466896523791259
Energy: 1.8380732669796669
Energy: 1.466896523791259
Energy: 1.650336785529284
Energy: 1.7574167503689762
Energy: 1.5929895311548634
Energy: 1.7574167503689762
Energy: 1.8267005549605944
Energy: 1.566859996245779
Energy: 8.52083703158747
Energy: 1.566859996245779
Energy: 1.652713601296472
Energy: 1.5673118344995178
Energy: 1.5915919691771245
Energy: 1.567311834500782
Energy: 1.649965427547356
Energy: 1.7573076835801018
Energy: 1.9308045111367957
Energy: 1.7573076835801018
Energy: 8.59304143856865
Energy: 1.84201317661273
Energy: 1.8278924868288373
Energy: 1.842013176613994
Energy: 5.765273056795444
Energy: 1.6196244241649715
Energy: 1.5908957924893607
Energy: 1.619624424163707
Energy: 1.8269108562624323
Energy: 1.5671439754607963
Energy: 5.759236228822557
Energy: 1.5671439754595895

minimum gb energy = 1.3520475240884742 eV
minimum distance =  2.52108045292221 Angstroms
sigma value = 41


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

Energy: 1.9969600381992274
Energy: 1.515539229372546
Energy: 9.176504312314105
Energy: 5.1367414009659225
Energy: 1.4741695146620124
Energy: 1.6325838779212447
Energy: 1.5665152309364918
Energy: 1.6325838779212447
Energy: 4.688404075666403
Energy: 1.5210779158715073
Energy: 1.7370856912111081
Energy: 1.5210779158715073
Energy: 4.521806287013714
Energy: 1.4751591308758272
Energy: 1.706619251790566
Energy: 1.4751591308768632
Energy: 1.6472082825435739
Energy: 1.5194666502981553
Energy: 1.4715136594050464
Energy: 1.5194666502981553
Energy: 1.665700200028357
Energy: 1.385789681883441
Energy: 5.046228484039121
Energy: 1.3857896818844775
Energy: 1.7062332008487888
Energy: 1.3857155225664788
Energy: 4.500885994960244
Energy: 1.3857155225664788
Energy: 1.5792257335850874
Energy: 1.7083068235678727
Energy: 1.6261736867443166
Energy: 1.7083068235668362
Energy: 1.4631781640704091
Energy: 1.2993841158301669
Energy: 1.6120541287957824
Energy: 1.2993841158312034
Energy: 1.4621644700921101
Energy: 1.3027612239363655
Energy: 1.611715930871084
Energy: 1.302761223935329
Energy: 1.5421436980416428
Energy: 1.2491794615595864
Energy: 1.5999707839185915
Energy: 1.2491794615595864
Energy: 1.5704650662424124
Energy: 1.2466822623412233
Energy: 1.4859140868201532
Energy: 1.2466822623422598
Energy: 1.5659726822835767
Energy: 1.248166195777266
Energy: 1.4807136232954603
Energy: 1.2481661957783023
Energy: 1.559369160486406
Energy: 1.2292524834348268
Energy: 1.4860124430124984
Energy: 1.2292524834348268
Energy: 1.5181203947642268
Energy: 1.2283014286803033
Energy: 1.5189339187110795
Energy: 1.2283014286813396
Energy: 1.5079041362261056
Energy: 1.2281557033573167
Energy: 1.566721479396289
Energy: 1.228155703355244
Energy: 1.4777817871356567
Energy: 1.2480904739159084
Energy: 1.5612075277425839
Energy: 1.2480904739159084
Energy: 1.493831183913068
Energy: 1.2489493971710823
Energy: 1.5704932050673488
Energy: 1.248949397170046
Energy: 1.5711066117537011
Energy: 1.248958515441964
Energy: 1.5715801915321663
Energy: 1.248958515441964
Energy: 1.569095839385708
Energy: 1.3031882607116205
Energy: 1.5187677965776887
Energy: 1.3031882607116205
Energy: 1.6625345593704617
Energy: 1.3053408442199792
Energy: 1.4631589354160104
Energy: 1.3053408442179062
Energy: 1.6652184471582634
Energy: 1.3049436008014523
Energy: 1.5780043811202227
Energy: 1.3049436007993795
Energy: 1.4654919002531188
Energy: 1.3893132080099238
Energy: 1.580176800283221
Energy: 1.3893132080088872
Energy: 1.468632300997026
Energy: 1.3856053991755353
Energy: 1.6621165852380033
Energy: 1.3856053991744988
Energy: 1.5389681355758051
Energy: 1.3854223485002422
Energy: 1.7847560429045335
Energy: 1.385422348502315
Energy: 1.7413490017421838
Energy: 1.4744443435014012
Energy: 1.496595700016009
Energy: 1.4744443435024377
Energy: 1.7799178412016692
Energy: 1.4743156093578798
Energy: 7.486140423450224
Energy: 1.4743156093599525
Energy: 1.4708310373801432
Energy: 1.4993798736769226
Energy: 1.4934907138428348
Energy: 1.4993798736831414
Energy: 7.648181297210768
Energy: 1.4739332253463282
Energy: 1.7788486258676623
Energy: 1.4739332253484012
Energy: 7.932090396467076
Energy: 1.474163886494591
Energy: 1.6629123420312757
Energy: 1.4741638864956277
Energy: 1.5788588194792492
Energy: 1.649979489063369
Energy: 1.4935989360710686
Energy: 1.6499794890592234
Energy: 1.8549305224044745
Energy: 5.199332147047293
Energy: 10.360729797278777
Energy: 5.300436822672815

minimum gb energy = 1.228155703355244 eV
minimum distance =  1.5833537174759 Angstroms
sigma value = 15


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

Energy: 1.822155199320215
Energy: 1.4250930026195154
Energy: 8.498300913924206
Energy: 4.830210220357307
Energy: 1.3924612896340491
Energy: 1.4310420577912941
Energy: 4.848683552768116
Energy: 1.431042057809732
Energy: 4.430947101326989
Energy: 1.3797012982673638
Energy: 1.377008686384363
Energy: 1.379701298266486
Energy: 6.468921523772726
Energy: 1.393108055013986
Energy: 1.664677382865541
Energy: 1.3931080550166202
Energy: 1.5046281833425612
Energy: 1.4491684242529972
Energy: 1.3862053255957025
Energy: 1.4491684242556315
Energy: 1.5736063790891144
Energy: 1.3205434626421415
Energy: 4.296417022858101
Energy: 1.3205434626412635
Energy: 1.5937356180382476
Energy: 1.317539714262793
Energy: 4.3813759250033595
Energy: 1.317539714262793
Energy: 1.4795677985537614
Energy: 1.476545912410853
Energy: 1.5930638363440093
Energy: 1.476545912410853
Energy: 1.373718901296443
Energy: 1.2387425277531972
Energy: 1.5937125891712638
Energy: 1.2387425277567092
Energy: 1.375378022597005
Energy: 1.2414107467871403
Energy: 1.5618461519048736
Energy: 1.2414107467880182
Energy: 1.5186808810916181
Energy: 1.184491109938656
Energy: 1.4639423060491905
Energy: 1.184491109939534
Energy: 1.5096839231153225
Energy: 1.1832804037030524
Energy: 1.3853114005863914
Energy: 1.1832804037039306
Energy: 1.4991414502288463
Energy: 1.1818167142509926
Energy: 1.3865507288812267
Energy: 1.1818167142509926
Energy: 1.4985975205952429
Energy: 1.145742585601811
Energy: 1.4552640144649005
Energy: 1.1457425856026888
Energy: 1.4144144534343297
Energy: 1.146445220685141
Energy: 1.4823698756110117
Energy: 1.146445220684263
Energy: 1.4241163565900294
Energy: 1.144699023563246
Energy: 1.475396096931826
Energy: 1.144699023564124
Energy: 1.4405137878810836
Energy: 1.1323737309401158
Energy: 1.483593041226691
Energy: 1.1323737309418718
Energy: 1.4470066758616917
Energy: 1.1337167448771268
Energy: 1.4481899874249793
Energy: 1.1337167448797607
Energy: 1.4842534706130674
Energy: 1.1322662480958994
Energy: 1.4403142795513164
Energy: 1.1322662480985335
Energy: 1.4781612479294268
Energy: 1.1451260458990906
Energy: 1.4242257087749437
Energy: 1.1451260459008463
Energy: 1.482460557192281
Energy: 1.1469958367427036
Energy: 1.4163675559934856
Energy: 1.1469958367435815
Energy: 1.482195018478401
Energy: 1.1456439779984864
Energy: 1.4771203315627592
Energy: 1.1456439779976084
Energy: 1.3854678754539924
Energy: 1.1823828234060028
Energy: 1.4998799103408686
Energy: 1.182382823404247
Energy: 1.3843778717093316
Energy: 1.1828437259152482
Energy: 1.5540969031986922
Energy: 1.1828437259170044
Energy: 1.463358667873932
Energy: 1.1845345938387477
Energy: 1.477587280767904
Energy: 1.1845345938405039
Energy: 1.462805746804296
Energy: 1.24491834992854
Energy: 1.3753529817168304
Energy: 1.2449183499276617
Energy: 1.5531450411166927
Energy: 1.2379436639089718
Energy: 1.3739122300202657
Energy: 1.2379436639072159
Energy: 1.5948595184430148
Energy: 1.2422770305569983
Energy: 1.4789164702877324
Energy: 1.2422770305552422
Energy: 1.3855754569955905
Energy: 1.3171672455963137
Energy: 1.6323545471349632
Energy: 1.3171672455928016
Energy: 1.385282429021836
Energy: 1.318286074750582
Energy: 1.632680203340584
Energy: 1.3182860747497043
Energy: 1.390760401053805
Energy: 1.687924626805884
Energy: 1.4784455734280444
Energy: 1.6879246268067623
Energy: 1.6321191230653813
Energy: 1.3929434217472183
Energy: 6.342455309719021
Energy: 1.3929434217480963
Energy: 1.5896283287483322
Energy: 1.3932366902722348
Energy: 5.900807524395056
Energy: 1.393236690270479
Energy: 1.386302677896201
Energy: 1.3817944698748892
Energy: 1.4149752388923977
Energy: 1.3817944698643532
Energy: 9.716654836652312
Energy: 1.5838052972456251
Energy: 1.6881921965500473
Energy: 1.5838052972456251
Energy: 4.68336365478469
Energy: 1.3813428655104003
Energy: 1.3852164616130844
Energy: 1.381342865512156
Energy: 1.6052257823829645
Energy: 1.3966141880635612
Energy: 5.819222510087953
Energy: 1.3966141880635612

minimum gb energy = 1.1322662480958994 eV
minimum distance =  2.52733396069865 Angstroms
sigma value = 85


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

Energy: 1.741393451090503
Energy: 1.314322071541863
Energy: 6.935235797978931
Energy: 3.965164818592497
Energy: 1.2896305687282479
Energy: 1.2301610684942617
Energy: 4.344759612313906
Energy: 1.2301610685171065
Energy: 7.967345404316516
Energy: 1.2297204848843637
Energy: 1.4344012579179934
Energy: 1.229720484885125
Energy: 7.416418965572028
Energy: 3.695254690511586
Energy: 1.5247243023153974
Energy: 3.6508271390691793
Energy: 1.3928887829122854
Energy: 1.352794762652755
Energy: 1.2860237760088717
Energy: 1.3527947626596086
Energy: 1.4132611503921906
Energy: 1.2295037812337044
Energy: 3.8039248510857706
Energy: 1.2295037812329428
Energy: 1.5230367019189281
Energy: 1.2271682206407322
Energy: 3.686883372352748
Energy: 1.2271682206392092
Energy: 1.3234486764510514
Energy: 1.3531095109735507
Energy: 1.3510962787735148
Energy: 1.3531095109735507
Energy: 4.068406080333728
Energy: 1.158326894602046
Energy: 1.5232021005812695
Energy: 1.1583268946012846
Energy: 1.2749079845752984
Energy: 1.1601401123504806
Energy: 1.4119035338892552
Energy: 1.160140112351242
Energy: 1.4540323046322428
Energy: 1.1022889044069177
Energy: 1.3539630868351529
Energy: 1.1022889044076793
Energy: 1.4696584174472294
Energy: 1.102178697892342
Energy: 1.2762676461760043
Energy: 1.102178697892342
Energy: 1.3532175595680511
Energy: 1.103918247632449
Energy: 1.2763241877075422
Energy: 1.1039182476316873
Energy: 1.3539158949836276
Energy: 1.0640158888790274
Energy: 1.405562415553597
Energy: 1.064015888879789
Energy: 1.2962410350613514
Energy: 1.064888037525215
Energy: 1.4120170469032647
Energy: 1.064888037525215
Energy: 1.2956454928745207
Energy: 1.0641732079530892
Energy: 1.3670343840326955
Energy: 1.0641732079523276
Energy: 1.3951722241654976
Energy: 1.0412938151327993
Energy: 1.3679353683920303
Energy: 1.041293815132038
Energy: 1.4055663573614554
Energy: 1.043109563370574
Energy: 1.329198769318133
Energy: 1.0431095633690508
Energy: 1.38614132637268
Energy: 1.0416156583016587
Energy: 1.3490792257329078
Energy: 1.0416156583031817
Energy: 1.3915160272264506
Energy: 1.0341543969172402
Energy: 1.3647125767128554
Energy: 1.0341543969164786
Energy: 1.373421548537394
Energy: 1.0345125598933416
Energy: 1.3730113451079062
Energy: 1.0345125598925802
Energy: 1.3069449846455476
Energy: 1.0342363601903681
Energy: 1.3891124480048913
Energy: 1.0342363601903681
Energy: 1.3312678924025902
Energy: 1.041446810997305
Energy: 1.4003868141195412
Energy: 1.041446810997305
Energy: 1.329738080524943
Energy: 1.0415390188788345
Energy: 1.4049795134341947
Energy: 1.0415390188780727
Energy: 1.401883871212491
Energy: 1.0419622940704583
Energy: 1.324709596441281
Energy: 1.0419622940704583
Energy: 1.367091818200058
Energy: 1.065829678577746
Energy: 1.2974354083450728
Energy: 1.065829678577746
Energy: 1.441015073564411
Energy: 1.0647587332227315
Energy: 1.2970905643747426
Energy: 1.0647587332227315
Energy: 1.361834344943562
Energy: 1.062282364864804
Energy: 1.3535527662692182
Energy: 1.0622823648571893
Energy: 1.2780338907246729
Energy: 1.1025222037348381
Energy: 1.5063984189151425
Energy: 1.1025222037340765
Energy: 1.2762458869123958
Energy: 1.103808889707453
Energy: 1.5064742095231252
Energy: 1.103808889707453
Energy: 1.354749702815141
Energy: 1.1612074768311882
Energy: 1.3273046058028632
Energy: 1.1612074768311882
Energy: 1.5010400920636273
Energy: 1.158053271837603
Energy: 1.2762252978958446
Energy: 1.158053271837603
Energy: 1.4889609775865913
Energy: 1.158741466053842
Energy: 1.2748019144604619
Energy: 1.1587414660530804
Energy: 1.3717888557853668
Energy: 1.3009733776923593
Energy: 1.3677578166916877
Energy: 1.3009733776931207
Energy: 6.071268841456503
Energy: 1.2278338438564214
Energy: 1.502801969243171
Energy: 1.2278338438564214
Energy: 1.2857442772009997
Energy: 1.22720732702252
Energy: 1.275507770703287
Energy: 1.2272073270217585
Energy: 1.2754684718198344
Energy: 1.281158181627387
Energy: 1.323862801149571
Energy: 1.2811581816266253
Energy: 1.5574821016523475
Energy: 1.2914563833366455
Energy: 4.894321019790749
Energy: 1.2914563833374069
Energy: 1.2856664586690567
Energy: 1.323079375410185
Energy: 5.1887574089826884
Energy: 1.3230793751749894
Energy: 5.577857305617768
Energy: 1.227486805882931
Energy: 1.325415534654784
Energy: 1.227486805882931
Energy: 9.615273520538608
Energy: 1.2270575716535863
Energy: 1.5595064208302862
Energy: 1.2270575716566325
Energy: 4.424390534203914
Energy: 1.3229728279522248
Energy: 1.4425586466197498
Energy: 1.3229728279529862
Energy: 1.4374787251535552
Energy: 1.2864977016673491
Energy: 6.656437689993798
Energy: 1.2864977016673491

minimum gb energy = 1.0341543969164786 eV
minimum distance =  2.53851171184348 Angstroms
sigma value = 113


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

Energy: 0.01961316443674256
Energy: 0.020260080165158
Energy: 2.396752170434709
Energy: 0.6954000002354194
Energy: 0.020168400755718668
Energy: 46.04931475488419
Energy: 27.955067727104424
Energy: 46.04733440587704
Energy: 28.17266480592795
Energy: 0.8859283372086716
Energy: 0.020351600101413247
Energy: 1.1679298860076235
Energy: 2.4144631116815534
Energy: 0.7882649655860127
Energy: 0.01983955248855567
Energy: 0.830423894447027
Energy: 27.97591082498482
Energy: 46.22482219848966
Energy: 27.93073983648923
Energy: 46.146782045141656
Energy: 0.020352599646472104
Energy: 1.0447164379214169
Energy: 28.233298214113685
Energy: 0.9986002709231904

minimum gb energy = 0.01961316443674256 eV
minimum distance =  2.59945644600687 Angstroms
sigma value = 1