Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.635521709918977
cohesive_energy=3.5250006151892697
mass=63.546
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=[3.45320334279288e-21, 1.6093383635539799e-19, 3.00859932685788e-19, 3.46906489146948e-19, 3.5474113288720797e-19, 3.61676955535794e-19, 3.76836750846702e-19, 3.9895800363234e-19, 4.2462166895575197e-19, 4.50495219418218e-19, 4.7408406600059995e-19, 4.94027960740632e-19, 5.100112748414159e-19, 5.2242974593155e-19, 5.32005955672968e-19, 5.3949452926028395e-19, 5.45547552583536e-19, 5.506168394535119e-19, 5.549042641260959e-19, 5.584482788405039e-19, 5.61221646593958e-19, 5.6318911950051e-19, 5.643474932068919e-19, 5.6472240253924795e-19, 5.64328267087284e-19, 5.630849780192999e-19, 5.608899960307199e-19, 5.576231578739939e-19, 5.5311142847265e-19, 5.471080726250519e-19, 5.3928464412123e-19, 5.29235792272782e-19, 5.16528929388528e-19, 5.008019635491839e-19, 4.818770531483759e-19, 4.59954470265354e-19, 4.358320988638499e-19, 4.11394098665448e-19, 4.0404331226865597e-19, 4.5118095101757e-19, 6.07912278061986e-19, 9.62478773696088e-19, 1.6688592255070798e-18, 3.0065645625326995e-18, 5.483449529865e-18, 1.0085605780431959e-17, 1.9384735094765997e-17, 4.0044642572532594e-17, 8.927248095816301e-17, 2.09465368775892e-16, 5.09290295356116e-16, 1.336579006851918e-15, 3.77403921375138e-15, 1.4202478750326658e-14]
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: -0.576431369806444 eV

========================================
theta = 0.0
========================================

Energy: 0.013441365116135164
Energy: 0.01408288144793534
Energy: 0.7522691013853102
Energy: 0.10477728695709161
Energy: 0.014082881448555499
Energy: 1.5966270541486465
Energy: 0.10477728695709161
Energy: 1.5966270541249772
Energy: 0.7522691013883421
Energy: 0.10477728695709161
Energy: 0.013441365116135164
Energy: 0.014082881448555499
Energy: 0.10477728695709161
Energy: 1.5966270541643917
Energy: 0.014082881448555499
Energy: 1.596627054171661

minimum gb energy = 0.013441365116135164 eV
minimum distance =  2.45532997769561 Angstroms
sigma value = 1


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

Energy: 1.3123807593240226
Energy: 0.8093641098163447
Energy: 0.8631378256128464
Energy: 0.8619156962062111
Energy: 0.833396002854382
Energy: 0.8896979982016994
Energy: 0.8218346872567518
Energy: 0.8896979982024515
Energy: 0.86344220612844
Energy: 0.8620433527108454
Energy: 0.8539046578227966
Energy: 0.8620433527108454
Energy: 0.8206904098214387
Energy: 0.8246956100606354
Energy: 0.8218269763327494
Energy: 0.8246956100598832
Energy: 0.8617079273585401
Energy: 0.8225003240581317
Energy: 0.8230325398218294
Energy: 0.8225003240588838
Energy: 0.8561036570274445
Energy: 0.8836175100675269
Energy: 0.8216019468947399
Energy: 0.8836175100675269
Energy: 0.8489612120233413
Energy: 0.8820388641236669
Energy: 0.8446143989257239
Energy: 0.8820388641229148
Energy: 0.8459940052915825
Energy: 0.9224613507736175
Energy: 0.8744739140104344
Energy: 0.9224613507736175
Energy: 0.8524417937838342
Energy: 0.9185236120340088
Energy: 0.8544299471196707
Energy: 0.9185236120340088
Energy: 0.8712964058807852
Energy: 0.9159225509964928
Energy: 0.8541320690955033
Energy: 0.9159225509972448
Energy: 0.851412633008144
Energy: 0.9178633239580389
Energy: 0.8525075467910262
Energy: 0.9178633239580389
Energy: 0.8471257609224118
Energy: 0.9157600415421595
Energy: 0.8780348178188921
Energy: 0.9157600415421595
Energy: 0.8531068943676906
Energy: 0.8830424262326353
Energy: 0.833219016432869
Energy: 0.8830424262333875
Energy: 0.8470097032866694
Energy: 0.8816663511178753
Energy: 0.8523259764028202
Energy: 0.8816663511178753
Energy: 0.8524704651179791
Energy: 0.8220737570097214
Energy: 0.821421650103308
Energy: 0.8220737570097214
Energy: 0.8398991112005124
Energy: 0.8222766614888812
Energy: 0.8209127538598893
Energy: 0.8222766614881293
Energy: 0.862149408160534
Energy: 0.8612725391756129
Energy: 0.8510319692094727
Energy: 0.8612725391763649
Energy: 0.8217447334669905
Energy: 0.8224227723284531
Energy: 0.8334887111752367
Energy: 0.8224227723284531
Energy: 0.842390036187934
Energy: 0.8626017565161614
Energy: 0.86545156210273
Energy: 0.8626017565161614
Energy: 0.8453970558450324
Energy: 0.8431265538304796
Energy: 0.8205176516090394
Energy: 0.8431265538304796
Energy: 0.8229366631837907
Energy: 0.823251310269404
Energy: 0.8451167476297109
Energy: 0.8232513102701561
Energy: 0.8226788001473133
Energy: 0.82177661309485
Energy: 0.8566002275435727
Energy: 0.8217766130956021
Energy: 0.8451074129652748
Energy: 0.8835817644437031
Energy: 0.8470145981598538
Energy: 0.8835817644437031
Energy: 0.87500847967507
Energy: 0.8810429726755461
Energy: 0.8486343505957346
Energy: 0.8810429726755461
Energy: 0.8544012901183339
Energy: 0.9190227675231185
Energy: 0.8533285574043052
Energy: 0.9190227675231185
Energy: 0.8561337595172736
Energy: 0.9153931239082834
Energy: 0.873259467314206
Energy: 0.9153931239082834
Energy: 0.8533497627736184
Energy: 0.9173868958349063
Energy: 0.8513414476134277
Energy: 0.9173868958349063
Energy: 0.8761088585636574
Energy: 0.9162379345362216
Energy: 0.845700540877661
Energy: 0.9162379345362216
Energy: 0.8519745806195047
Energy: 0.8828399684118959
Energy: 0.8917957149921707
Energy: 0.8828399684126481
Energy: 0.8522602437168069
Energy: 0.8848561452131497
Energy: 0.8466648300576078
Energy: 0.8848561452131497
Energy: 0.8213698697039784
Energy: 0.8223417850122738
Energy: 0.8326431713225425
Energy: 0.8223417850122738
Energy: 0.820920476642448
Energy: 0.8218284583427634
Energy: 0.8410027745781747
Energy: 0.8218284583427634
Energy: 0.8734646380342407
Energy: 0.8623745870878797
Energy: 0.8624064375158823
Energy: 0.8623745870878797

minimum gb energy = 0.8093641098163447 eV
minimum distance =  2.32300265821769 Angstroms
sigma value = 1


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

Energy: 1.4997153845397462
Energy: 0.8449970841832929
Energy: 0.9061917435148561
Energy: 0.9053755384455721
Energy: 0.8768630102960011
Energy: 0.9311508701421597
Energy: 0.8609345168276216
Energy: 0.9311508701421597
Energy: 0.9044141416155919
Energy: 0.9058100529553909
Energy: 0.9007357287075115
Energy: 0.9058100529553909
Energy: 0.8597965731209994
Energy: 0.8620076626862504
Energy: 0.860442117991667
Energy: 0.8620076626862504
Energy: 0.8855006258004245
Energy: 0.8638403651405901
Energy: 0.8595765292544009
Energy: 0.8638403651405901
Energy: 0.9032270722630309
Energy: 0.9662247649694726
Energy: 0.8619153126072373
Energy: 0.9662247649694726
Energy: 0.8963027588725055
Energy: 0.9345425244814496
Energy: 0.8898705970672889
Energy: 0.9345425244814496
Energy: 0.8900683785003236
Energy: 0.9696827131149954
Energy: 0.922895624359252
Energy: 0.9696827131149954
Energy: 0.8899971906334253
Energy: 0.9696558849311682
Energy: 0.8961079033801338
Energy: 0.9696558849311682
Energy: 0.9239050475722597
Energy: 0.9686845296182309
Energy: 0.8920187518401107
Energy: 0.9686845296182309
Energy: 0.8765205451093507
Energy: 0.9350059287496183
Energy: 0.8991879884122276
Energy: 0.9350059287496183
Energy: 0.8985230013439095
Energy: 0.9351193096403967
Energy: 0.904461954677658
Energy: 0.9351193096412542
Energy: 0.8620640470057271
Energy: 0.8625105726697068
Energy: 0.8980430577390088
Energy: 0.8625105726697068
Energy: 0.8609342163872357
Energy: 0.8629226016647237
Energy: 0.8826428515028406
Energy: 0.8629226016647237
Energy: 0.870735673249154
Energy: 0.9045966672928983
Energy: 0.9057209184058493
Energy: 0.904596667292041
Energy: 0.8770585313455107
Energy: 0.8616691115250816
Energy: 0.8621131061744991
Energy: 0.8616691115242241
Energy: 0.9055428666298783
Energy: 0.9057517664078059
Energy: 0.8615827427141564
Energy: 0.9057517664078059
Energy: 0.8597718414872695
Energy: 0.8615699238147395
Energy: 0.9020564298771638
Energy: 0.8615699238147395
Energy: 0.901124650309636
Energy: 0.8618941104573776
Energy: 0.8606674329440649
Energy: 0.861894110458235
Energy: 0.9031511978389768
Energy: 0.8618865193842071
Energy: 0.8614664123169776
Energy: 0.8618865193842071
Energy: 0.8920768627406839
Energy: 0.9367709795787945
Energy: 0.8895549356027916
Energy: 0.9367709795787945
Energy: 0.8890232897727236
Energy: 0.9326586218069656
Energy: 0.9239259578517021
Energy: 0.9326586218069656
Energy: 0.890341936147429
Energy: 0.9699030491314924
Energy: 0.8956223657997534
Energy: 0.9699030491314924
Energy: 0.9238756465546382
Energy: 0.9686074503606825
Energy: 0.8912315105596172
Energy: 0.9686074503606825
Energy: 0.8775758441566522
Energy: 0.934061213170893
Energy: 0.9005314695646343
Energy: 0.934061213170893
Energy: 0.8979858078349796
Energy: 0.9352729981762548
Energy: 0.9041170817345455
Energy: 0.9352729981753971
Energy: 0.8620759123978053
Energy: 0.8627148301226014
Energy: 0.8762001691221823
Energy: 0.8627148301226014
Energy: 0.8611501933029835
Energy: 0.8621730868895923
Energy: 0.8830542471881007
Energy: 0.8621730868895923
Energy: 0.8828778641255919
Energy: 0.8602080351411524
Energy: 0.9064921532237884
Energy: 0.8602080351411524

minimum gb energy = 0.8449970841832929 eV
minimum distance =  2.28728938287222 Angstroms
sigma value = 25


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

Energy: 1.4152604565325408
Energy: 0.8819658096660374
Energy: 0.9513765327121921
Energy: 0.951485111220536
Energy: 0.9264507893023765
Energy: 0.9741313607254947
Energy: 0.9045201436459906
Energy: 0.9741313607254947
Energy: 0.9508926381271318
Energy: 0.95160029666021
Energy: 0.9526665044460787
Energy: 0.95160029666021
Energy: 0.9031364834203749
Energy: 0.9071987829326534
Energy: 0.9044150694338849
Energy: 0.9071987829326534
Energy: 0.9523521117182483
Energy: 0.9069207524061971
Energy: 0.9037675421825037
Energy: 0.9069207524061971
Energy: 0.9571187951961093
Energy: 1.0067242630434647
Energy: 0.9045154818514063
Energy: 1.0067242630434647
Energy: 0.93688805613057
Energy: 0.9991949970449487
Energy: 0.9352402876516731
Energy: 0.9991949970449487
Energy: 0.9356306307990883
Energy: 0.9952111195765416
Energy: 0.9792932365495901
Energy: 0.9952111195765416
Energy: 0.9372210622803535
Energy: 0.9986560052082709
Energy: 0.9269373070930107
Energy: 0.9986560052082709
Energy: 0.9582621758592332
Energy: 0.9989498829556595
Energy: 0.9047044559077472
Energy: 0.9989498829556595
Energy: 0.928615930376983
Energy: 0.9068987874374924
Energy: 0.9070672027564676
Energy: 0.9068987874374924
Energy: 0.9280643426229347
Energy: 0.9069282286473277
Energy: 0.9044160097452835
Energy: 0.9069282286483247
Energy: 0.9504686244327943
Energy: 0.9515318400930123
Energy: 0.9281975538632871
Energy: 0.9515318400930123
Energy: 0.9044613547413877
Energy: 0.9043670087982929
Energy: 0.9268973404983409
Energy: 0.9043670087982929
Energy: 0.9050236948308639
Energy: 0.9522742551971525
Energy: 0.9529135515090399
Energy: 0.9522742551971525
Energy: 0.9560903918306121
Energy: 0.9063367218562475
Energy: 0.9025564994439927
Energy: 0.9063367218562475
Energy: 0.9051194029215811
Energy: 0.9076268887443765
Energy: 0.9529457386989623
Energy: 0.9076268887443765
Energy: 0.9057901541215008
Energy: 0.9073201670332434
Energy: 0.9572886989658335
Energy: 0.9073201670332434
Energy: 0.9353601900314039
Energy: 0.9994134797624505
Energy: 0.9371578124156814
Energy: 0.9994134797624505
Energy: 0.9805603556351853
Energy: 0.9993795789586698
Energy: 0.9378398184183719
Energy: 0.9993795789586698
Energy: 0.9270158308136662
Energy: 0.9982411746731988
Energy: 0.9365834843724351
Energy: 0.9982411746731988
Energy: 0.9271853942874786
Energy: 0.9985306678179521
Energy: 0.9582851777084153
Energy: 0.9985306678179521
Energy: 0.9074756235249185
Energy: 0.9069099547676504
Energy: 0.9283752976895041
Energy: 0.9069099547676504
Energy: 0.9042259928936554
Energy: 0.9070471150157997
Energy: 0.9280240966232123
Energy: 0.9070471150157997
Energy: 0.9274027904298415
Energy: 0.9028806794136809
Energy: 0.9514721587843242
Energy: 0.9028806794136809

minimum gb energy = 0.8819658096660374 eV
minimum distance =  2.28979617752622 Angstroms
sigma value = 9


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

Energy: 1.2906415041627233
Energy: 0.9178390897966233
Energy: 0.9997865577598931
Energy: 0.9991001541074223
Energy: 0.9863267480458758
Energy: 1.0151540573402134
Energy: 0.9546200105325182
Energy: 1.0151540573402134
Energy: 0.9992738068606826
Energy: 0.9990363747913605
Energy: 0.9463697103642854
Energy: 0.9990363747913605
Energy: 0.9496766097159645
Energy: 0.9613518468605856
Energy: 0.9544926378724882
Energy: 0.9613518468594234
Energy: 0.9528094257111624
Energy: 0.9609630948097858
Energy: 0.9536085876207654
Energy: 0.9609630948097858
Energy: 1.0165195122138198
Energy: 1.072054926090106
Energy: 0.9545209979301135
Energy: 1.072054926090106
Energy: 0.9877700903528236
Energy: 1.072755389792437
Energy: 0.9546438995295282
Energy: 1.072755389792437
Energy: 0.955762875676252
Energy: 1.0663514758886057
Energy: 0.9564388059289
Energy: 1.0663514758886057
Energy: 0.9569752113671994
Energy: 0.9604864372587848
Energy: 0.9076783683085856
Energy: 0.9604864372587848
Energy: 0.9546349787770427
Energy: 0.9609956680413998
Energy: 0.9070975670002142
Energy: 0.9609956680413998
Energy: 0.908345752860497
Energy: 0.9985556465117792
Energy: 0.9981721520214566
Energy: 0.9985556465117792
Energy: 0.98712809388418
Energy: 0.9491135952313955
Energy: 0.954694087878033
Energy: 0.9491135952313955
Energy: 0.9987318343466185
Energy: 1.000127838309182
Energy: 0.9984222240219639
Energy: 1.000127838309182
Energy: 0.9487472362856678
Energy: 0.9494860584281292
Energy: 0.9497539671753579
Energy: 0.9494860584281292
Energy: 0.9529801349607251
Energy: 0.9506560580659673
Energy: 0.9550417945831352
Energy: 0.9506560580659673
Energy: 1.0161827315848628
Energy: 0.9608498958828214
Energy: 0.9547153070007312
Energy: 0.9608498958828214
Energy: 0.987931572126795
Energy: 1.072432678940219
Energy: 0.9546870530223663
Energy: 1.072432678940219
Energy: 0.9867862789661282
Energy: 1.0729299057741806
Energy: 0.954418650872988
Energy: 1.0729299057729913
Energy: 0.9584603060274443
Energy: 0.9603356958812458
Energy: 0.9074383928286802
Energy: 0.9603356958812458
Energy: 0.9548412930836202
Energy: 0.9606774753745883
Energy: 0.9070194599019213
Energy: 0.9606774753745883
Energy: 0.9073869026424689
Energy: 0.9491217646353475
Energy: 0.9995177937557239
Energy: 0.9491217646353475

minimum gb energy = 0.9070194599019213 eV
minimum distance =  2.30247896461798 Angstroms
sigma value = 25


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

Energy: 1.1186072820788049
Energy: 0.9476973616039976
Energy: 1.0523151173999161
Energy: 1.0509210679655863
Energy: 0.9368962852371334
Energy: 1.017100950152753
Energy: 0.9661196371008935
Energy: 1.017100950152753
Energy: 1.0511777877231339
Energy: 1.050994535196234
Energy: 0.938498423915208
Energy: 1.050994535196234
Energy: 0.9399714599081486
Energy: 1.0187036822999016
Energy: 0.9662560559828937
Energy: 1.0187036822999016
Energy: 0.9642326819981876
Energy: 0.9671159036366744
Energy: 0.9670421869950008
Energy: 0.9671159489427056
Energy: 0.9394036457389444
Energy: 1.0694241581346517
Energy: 0.9650249632254064
Energy: 1.0694241581346517
Energy: 0.9351105603598057
Energy: 0.9657571918716014
Energy: 0.9661853472367308
Energy: 0.965757191864248
Energy: 0.935221212641731
Energy: 0.9662047194832326
Energy: 0.968900035041296
Energy: 0.9662047194788206
Energy: 1.049476205036865
Energy: 1.050128434481349
Energy: 1.155920235600252
Energy: 1.050128434481349
Energy: 1.0506079834300248
Energy: 0.9404653653539738
Energy: 0.9349975072390616
Energy: 0.9404653653539738
Energy: 0.9376321395741875
Energy: 1.0505522368691078
Energy: 1.0548718462603732
Energy: 1.0505522368676372
Energy: 0.9394200917411852
Energy: 0.941214226149179
Energy: 1.050731430850451
Energy: 0.941214226149179
Energy: 0.9663977864970125
Energy: 1.070630022144617
Energy: 0.9658028062716708
Energy: 1.070630022144617
Energy: 0.9671475136869807
Energy: 0.966850409910891
Energy: 0.9415024452953475
Energy: 0.9668504099138323
Energy: 0.9676602238250023
Energy: 1.0320061774051015
Energy: 0.9349316058521153
Energy: 1.0320061774051015
Energy: 0.9656012929582517
Energy: 0.9655450710691561
Energy: 0.9349439471277173
Energy: 0.9655450710676854
Energy: 0.9353305279047966
Energy: 0.9403234484530314
Energy: 1.0501193398370001
Energy: 0.9403234484530314

minimum gb energy = 0.9349316058521153 eV
minimum distance =  2.34045345713228 Angstroms
sigma value = 17


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

Energy: 1.5670165299135526
Energy: 1.076850345837208
Energy: 1.1425786968354563
Energy: 1.1432210882871463
Energy: 0.959729138101289
Energy: 1.0149223121876312
Energy: 1.0191370516692047
Energy: 1.0149223121876312
Energy: 1.0157091002583873
Energy: 1.0160633859243748
Energy: 1.0727644939242387
Energy: 1.0160633859243748
Energy: 1.0156648382697968
Energy: 1.0760787595612864
Energy: 1.0189437983583636
Energy: 1.0760787595612864
Energy: 1.0154601786407107
Energy: 1.1093041343230154
Energy: 1.045390076821424
Energy: 1.1093041343230154
Energy: 1.022395519135349
Energy: 1.1066284188512825
Energy: 1.0157363282219594
Energy: 1.1066284188512825
Energy: 1.066511814069943
Energy: 1.0147925747371025
Energy: 1.0167587646056557
Energy: 1.0147925747371025
Energy: 1.0761442667644432
Energy: 1.0192607267889173
Energy: 0.9897153483031402
Energy: 1.0192607267889173
Energy: 1.1469847370778483
Energy: 1.1421865119137236
Energy: 1.072028402321763
Energy: 1.1421865119137236
Energy: 1.1452430428117992
Energy: 1.0787978171330732
Energy: 1.0192541816364453
Energy: 1.0787978171330732
Energy: 1.0147176715117676
Energy: 1.008677298000557
Energy: 0.9815710904568576
Energy: 1.008677298000557
Energy: 1.0734980459112142
Energy: 1.0099529700436432
Energy: 1.0046944872669632
Energy: 1.0099529700436432
Energy: 1.0670781383912413
Energy: 1.0124444393233336
Energy: 1.0099419629227473
Energy: 1.0124444393233336
Energy: 1.0667599770494303
Energy: 1.0114522962159664
Energy: 0.9817617000977534
Energy: 1.0114522962151336
Energy: 1.1425774412897023
Energy: 1.1468856955860824
Energy: 1.0781383791076458
Energy: 1.1468856955860824
Energy: 1.1471648801370398
Energy: 1.1464854373276685
Energy: 1.0799026721115978
Energy: 1.1464854373276685
Energy: 1.072866425056801
Energy: 1.0151266093972457
Energy: 1.0152130292779413
Energy: 1.0151266093972457
Energy: 1.0734191732438292
Energy: 1.0154049441744062
Energy: 1.0150071431873817
Energy: 1.0154049441744062
Energy: 1.0200160186954839
Energy: 1.1086923461032268
Energy: 1.018345444845477
Energy: 1.1086923461032268
Energy: 1.059651190613531
Energy: 1.1081365759134103
Energy: 1.0158120394240062
Energy: 1.1081365759134103
Energy: 1.0156112649522349
Energy: 1.0198181969042834
Energy: 1.0757535971088392
Energy: 1.0198181969042834
Energy: 1.01563961835572
Energy: 1.0161574180111232
Energy: 1.0663229790467565
Energy: 1.0161574180111232
Energy: 1.018122582709691
Energy: 1.064945261935555
Energy: 1.094125303217985
Energy: 1.064945261937221
Energy: 1.0720949033137748
Energy: 1.1423991738871961
Energy: 1.1425442883176786
Energy: 1.1423991738871961
Energy: 1.005822904962606
Energy: 1.0115247142523234
Energy: 1.0766741643698434
Energy: 1.0115247142531563
Energy: 1.0049895624957605
Energy: 1.0104358038869659
Energy: 1.0150309825220365
Energy: 1.010435803886133
Energy: 0.981181353722549
Energy: 0.9827944555062971
Energy: 1.0795597549357805
Energy: 0.9827944555071298
Energy: 1.0049490370952152
Energy: 1.0094713665048063
Energy: 1.0666864782460501
Energy: 1.009471366505639
Energy: 1.0065886767733017
Energy: 1.0086985368126644
Energy: 1.0669823417839954
Energy: 1.0086985368126644
Energy: 1.0741779280912827
Energy: 1.14152170056319
Energy: 1.141780955478954
Energy: 1.14152170056319

minimum gb energy = 0.959729138101289 eV
minimum distance =  2.30285129008437 Angstroms
sigma value = 53


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

Energy: 1.3994177017770661
Energy: 0.9278440379747362
Energy: 1.0697731605096275
Energy: 1.0683504258618193
Energy: 1.2033499451708145
Energy: 0.9800601042861573
Energy: 1.0633445812326199
Energy: 0.9800601042861573
Energy: 1.0657037255717003
Energy: 1.0637918370244817
Energy: 1.0851696533181014
Energy: 1.0637918370244817
Energy: 1.0638988611724216
Energy: 0.9811922656522197
Energy: 1.0643653922994547
Energy: 0.9811922656522197
Energy: 1.0895264451064668
Energy: 0.9802726437374826
Energy: 0.9100850335836571
Energy: 0.9802726437374826
Energy: 1.06438693444247
Energy: 0.983644291121046
Energy: 0.9109409178397251
Energy: 0.983644291121046
Energy: 1.2037610495556397
Energy: 1.0623211203569922
Energy: 1.0614639315774705
Energy: 1.0623211203569922
Energy: 1.203467609099175
Energy: 1.0633547855700916
Energy: 1.0615028281937093
Energy: 1.0633547855700916
Energy: 1.064576467478404
Energy: 1.0631428817159938
Energy: 1.0850134024559805
Energy: 1.0631428817159938
Energy: 1.0638526573970508
Energy: 0.9820010156154393
Energy: 1.0637423225104263
Energy: 0.9820010156154393
Energy: 1.0886354867625996
Energy: 0.9837259684762152
Energy: 0.9285657808830498
Energy: 0.9837259684762152
Energy: 1.0635417951729667
Energy: 0.9800056943059225
Energy: 0.9107283394953151
Energy: 0.9800056943059225
Energy: 1.20342577953372
Energy: 1.0629858872099947
Energy: 1.0610911608554636
Energy: 1.0629858872099947

minimum gb energy = 0.9100850335836571 eV
minimum distance =  2.32852371037918 Angstroms
sigma value = 9


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

Energy: 1.4369202216199328
Energy: 1.1367263609355378
Energy: 1.1856652127884932
Energy: 1.1822425666372367
Energy: 0.9963579603471887
Energy: 0.9956864535462718
Energy: 1.182494627772302
Energy: 0.9956864535469816
Energy: 1.0107407648618256
Energy: 0.9985591354875049
Energy: 1.2094292859906273
Energy: 0.9985591354875049
Energy: 1.0074760089228554
Energy: 0.9959632828574301
Energy: 1.242442218726501
Energy: 0.9959632828567203
Energy: 0.9973098634617467
Energy: 0.994623150120768
Energy: 1.2423178806396393
Energy: 0.994623150120768
Energy: 0.9946199316063622
Energy: 0.9949330297992783
Energy: 1.243132152320529
Energy: 0.9949330297992783
Energy: 1.1685498814378907
Energy: 1.1717421423218195
Energy: 1.1847943566689692
Energy: 1.1717421423225292
Energy: 1.161386145363074
Energy: 1.1728800682414278
Energy: 1.1710439787145333
Energy: 1.1728800682414278
Energy: 1.0481910863722097
Energy: 1.0867773775525011
Energy: 1.0859530165096638
Energy: 1.0867773775517913
Energy: 1.0374743969872753
Energy: 1.1145482985813908
Energy: 1.1771824137851958
Energy: 1.1145482985813908
Energy: 1.0448804698080445
Energy: 1.0456731149277543
Energy: 1.0592105200528248
Energy: 1.0456731149277543
Energy: 1.0849234396290173
Energy: 1.1199265853566711
Energy: 1.2422717966057901
Energy: 1.1199265853566711
Energy: 1.1651393339203517
Energy: 1.0612796315274642
Energy: 1.0776799700377349
Energy: 1.0612796315281736
Energy: 1.1663265103772535
Energy: 1.0622283010353686
Energy: 1.0658361709996174
Energy: 1.0622283010353686
Energy: 1.117722594844454
Energy: 1.0768020393571653
Energy: 1.0743111235884364
Energy: 1.0768020393571653
Energy: 1.1259240963278825
Energy: 1.1311361965379254
Energy: 1.075546194797283
Energy: 1.1311361965379254
Energy: 1.1091177904215703
Energy: 1.0863191973336996
Energy: 1.0632778774874398
Energy: 1.0863191973344093
Energy: 1.110465596673245
Energy: 1.1071386370732266
Energy: 1.250340628178429
Energy: 1.1071386370732266
Energy: 1.1045950148411676
Energy: 1.0843923413479304
Energy: 0.9992999904515867
Energy: 1.0843923413479304
Energy: 1.2118111984456814
Energy: 1.024189594644504
Energy: 1.0256448639506817
Energy: 1.024189594644504
Energy: 1.1920175528135977
Energy: 1.024054940186372
Energy: 1.020621683260495
Energy: 1.024054940186372
Energy: 1.2421719013113677
Energy: 1.0190140769079894
Energy: 1.0196350343666294
Energy: 1.0190140769072797
Energy: 1.2423726334532341
Energy: 1.0202347784155958
Energy: 1.0216212360150436
Energy: 1.0202347784155958
Energy: 1.200612201649716
Energy: 1.1776679268648016
Energy: 1.1682297328975926
Energy: 1.1776679268648016
Energy: 1.1771435452293837
Energy: 1.1782802505495882
Energy: 1.1609298833371469
Energy: 1.1782802505495882
Energy: 1.0872507998080407
Energy: 1.1739947759898148
Energy: 1.0405003132488344
Energy: 1.1739947759898148
Energy: 1.1842071340637619
Energy: 1.0421142568740844
Energy: 1.0381655230886868
Energy: 1.0421142568747945
Energy: 1.0593622684469743
Energy: 1.0402329893374167
Energy: 1.0394327230125076
Energy: 1.0402329893374167
Energy: 1.2424680785758333
Energy: 1.0445082758813187
Energy: 1.0392936433446993
Energy: 1.0445082758813187
Energy: 1.0606195942261898
Energy: 1.0371263948894973
Energy: 1.1657041529331162
Energy: 1.0371263948894973
Energy: 1.0439736080784814
Energy: 1.0378084971881987
Energy: 1.209047400483652
Energy: 1.0378084971881987
Energy: 1.037579087515744
Energy: 1.0434378577410153
Energy: 1.1633965854414285
Energy: 1.0434378577410153
Energy: 1.0552237103685678
Energy: 1.1376661005947486
Energy: 1.125490694148492
Energy: 1.1376661005954585
Energy: 1.0378898795725653
Energy: 1.0996174768402351
Energy: 1.130290300048805
Energy: 1.0996174768402351
Energy: 1.2423366848823036
Energy: 1.1710394884932835
Energy: 1.1771717309086394
Energy: 1.1710394884932835

minimum gb energy = 0.9946199316063622 eV
minimum distance =  2.30614896953743 Angstroms
sigma value = 73


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

Energy: 1.4158322329321005
Energy: 1.0561363275782396
Energy: 1.1134902885969635
Energy: 1.1096634418397138
Energy: 1.00250966321574
Energy: 1.0079407224029622
Energy: 1.1247732939375603
Energy: 1.0079407224029622
Energy: 1.0122991685027727
Energy: 1.015597695679983
Energy: 1.147931846246715
Energy: 1.015597695679983
Energy: 1.0155825948894883
Energy: 1.0104294401708354
Energy: 1.2260135123003826
Energy: 1.0104294401708354
Energy: 1.015104537803071
Energy: 1.0134783465284005
Energy: 1.2116949916968136
Energy: 1.0134783465284005
Energy: 1.0483081460622337
Energy: 1.0131779052059386
Energy: 1.210997491456932
Energy: 1.0131779052059386
Energy: 1.1080525971702406
Energy: 1.1490339624569559
Energy: 1.160807923552712
Energy: 1.1490339624569559
Energy: 1.0637814140504485
Energy: 1.1467217928754843
Energy: 1.1473403552675623
Energy: 1.1467217928754843
Energy: 1.0255036962824595
Energy: 1.1113142248103638
Energy: 1.1466252095139755
Energy: 1.1113142248114898
Energy: 1.0607598439730364
Energy: 1.0456136199035073
Energy: 1.1472760437667586
Energy: 1.0456136199035073
Energy: 1.0272530833156657
Energy: 0.9777750339018166
Energy: 1.0053919265829974
Energy: 0.9777750339018166
Energy: 1.0260091349879943
Energy: 0.9806951456188078
Energy: 1.205845194242177
Energy: 0.9806951456188078
Energy: 1.1507391629402979
Energy: 0.9777504416678348
Energy: 1.0461379420899857
Energy: 0.9777504416689609
Energy: 1.1476728023402092
Energy: 1.0437218281922929
Energy: 1.037788903376227
Energy: 1.0437218281922929
Energy: 1.1514327865478107
Energy: 1.0401134290434861
Energy: 1.0419190877103661
Energy: 1.0401134290434861
Energy: 1.2100797209712075
Energy: 1.050574149099973
Energy: 1.0452060236479535
Energy: 1.050574149099973
Energy: 1.1726738696511723
Energy: 1.0452172364116912
Energy: 1.039333340102961
Energy: 1.0452172364116912
Energy: 1.1381570753450012
Energy: 1.1388076495163744
Energy: 1.1070023972048129
Energy: 1.1388076495163744
Energy: 1.1158843338479885
Energy: 1.1163026739027122
Energy: 1.0635069640052155
Energy: 1.1163026739027122
Energy: 1.1337684006407127
Energy: 1.0853607800083063
Energy: 1.0527821702643774
Energy: 1.0853607800083063
Energy: 1.1152031994432745
Energy: 1.1006793175480485
Energy: 1.0572437674388941
Energy: 1.1006793175480485
Energy: 1.2125318240519065
Energy: 1.1082105807455536
Energy: 1.111153731147966
Energy: 1.1082105807455536

minimum gb energy = 0.9777504416678348 eV
minimum distance =  2.27669399089935 Angstroms
sigma value = 7


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

Energy: 1.0644503875391456
Energy: 1.069110292279713
Energy: 1.1392810240227091
Energy: 1.1391936708452908
Energy: 0.999509289287181
Energy: 1.0997826726258964
Energy: 1.123648526034038
Energy: 1.0997826726258964
Energy: 1.0135075596572147
Energy: 1.0126186105311494
Energy: 1.1324615878220428
Energy: 1.0126186105303532
Energy: 1.0189295173485156
Energy: 1.0187947568153992
Energy: 1.1903791751061488
Energy: 1.0187947568153992
Energy: 1.0101204286619572
Energy: 1.0076258013277013
Energy: 1.1775541775617953
Energy: 1.0076258013277013
Energy: 1.0388487481116184
Energy: 1.007565631169575
Energy: 1.1764112789240126
Energy: 1.007565631169575
Energy: 1.076932651516093
Energy: 1.011741849780953
Energy: 1.0225010761992055
Energy: 1.011741849780953
Energy: 1.0771946007356459
Energy: 1.0080946139898164
Energy: 1.0086625026182305
Energy: 1.0080946139890201
Energy: 1.1730067189737834
Energy: 1.0204118655172467
Energy: 1.020141169929298
Energy: 1.020411865516451
Energy: 1.1782502994946655
Energy: 1.0095797179641233
Energy: 1.0106951214093987
Energy: 1.0095797179641233
Energy: 1.1732693441915705
Energy: 1.1294453134015205
Energy: 1.0064391145897797
Energy: 1.1294453134015205
Energy: 1.1312831403470682
Energy: 1.1334820464127116
Energy: 1.0774645167052954
Energy: 1.1334820464127116
Energy: 1.1280114837347026
Energy: 1.1151822451221485
Energy: 1.0504733271952582
Energy: 1.1151822451221485
Energy: 1.1334836154189307
Energy: 1.1078241446780785
Energy: 1.0517599350743834
Energy: 1.1078241446780785
Energy: 1.1353799424611246
Energy: 1.134456742945457
Energy: 1.0554364496433901
Energy: 1.134456742945457
Energy: 1.0286658245396612
Energy: 1.011694110959624
Energy: 1.0441976452884238
Energy: 1.011694110959624
Energy: 1.029029857964218
Energy: 1.0090672985268674
Energy: 1.0672425598953965
Energy: 1.0090672985268674
Energy: 1.0388000159688564
Energy: 1.0917145104217132
Energy: 1.1326419111535293
Energy: 1.0917145104217132
Energy: 1.0440731084275394
Energy: 1.0436356059976672
Energy: 1.1420251954750364
Energy: 1.0436356059976672
Energy: 1.0379736320112636
Energy: 1.0369121269276107
Energy: 1.0572311515669972
Energy: 1.0369121269276107
Energy: 1.0425057293331375
Energy: 1.0416854468216594
Energy: 1.1778301648956526
Energy: 1.0416854468216594
Energy: 1.078596239291094
Energy: 1.0117205822173223
Energy: 1.0208261870817912
Energy: 1.0117205822165263
Energy: 1.0786433098426929
Energy: 1.011913429468234
Energy: 1.0137217273268129
Energy: 1.011913429468234
Energy: 1.1753056845413616
Energy: 1.0189425038505449
Energy: 1.0206122962447268
Energy: 1.0189425038505449
Energy: 1.134663144927598
Energy: 1.0161728199226905
Energy: 1.0162705158696452
Energy: 1.0161728199226905
Energy: 1.173352583598893
Energy: 1.2206551779077943
Energy: 1.0163109499521932
Energy: 1.2206551779077943
Energy: 1.1423159380527923
Energy: 1.1033871296078042
Energy: 1.5058834157457648
Energy: 1.1033871296078042
Energy: 1.0985249604352183
Energy: 1.0987703412873409
Energy: 1.0160197458916504
Energy: 1.0987703412873409
Energy: 1.1129972897126867
Energy: 1.0830181434847823
Energy: 1.1006773737963698
Energy: 1.0830181434847823
Energy: 1.1021773754908708
Energy: 1.0837019182482859
Energy: 1.0515224937785874
Energy: 1.0837019182482859
Energy: 1.0594045610752356
Energy: 1.0994687119248618
Energy: 1.1065031701907375
Energy: 1.099468711925658

minimum gb energy = 0.999509289287181 eV
minimum distance =  2.26669250720273 Angstroms
sigma value = 29


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

Energy: 0.9461318595586056
Energy: 0.9482313132971332
Energy: 0.9500790371477097
Energy: 1.0191352702418517
Energy: 0.9374947450118016
Energy: 1.0169271943922946
Energy: 0.9484369071055943
Energy: 1.0169271943920173
Energy: 0.9549046700631253
Energy: 1.0183488998313444
Energy: 0.9428341963602036
Energy: 1.0183488998313444
Energy: 0.9414354914435338
Energy: 0.9450162024713636
Energy: 0.9529590781359825
Energy: 0.9450162024713636
Energy: 0.9414493338783091
Energy: 0.9458427698288032
Energy: 0.9365102938853834
Energy: 0.9458427698288032
Energy: 0.9520483392747777
Energy: 1.0136164217459571
Energy: 0.9359700039096843
Energy: 1.0136164217459571
Energy: 0.9399669450505173
Energy: 1.0176745680559602
Energy: 0.9542070816375394
Energy: 1.0176745680554056
Energy: 0.9489260856706013
Energy: 0.9512587076732235
Energy: 0.9405106889049699
Energy: 0.9512587076729461
Energy: 0.940243114433443
Energy: 0.9532965514855908
Energy: 0.9509596664783282
Energy: 0.953296551485868

minimum gb energy = 0.9359700039096843 eV
minimum distance =  2.30896833705218 Angstroms
sigma value = 5


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

Energy: 1.239539127801607
Energy: 0.9113098477213256
Energy: 1.0834312585962946
Energy: 0.9409269935826213
Energy: 1.1125900684578867
Energy: 0.9403747256335929
Energy: 1.0767624259148576
Energy: 0.9403747256335929
Energy: 1.0724455075312465
Energy: 1.0205719080945612
Energy: 1.0718197492633232
Energy: 1.0205719080938092
Energy: 0.9642396479306792
Energy: 0.9355786685809206
Energy: 1.0537732087636396
Energy: 0.9355786685809206
Energy: 1.066426769717528
Energy: 0.9360320406460576
Energy: 1.0714069874845638
Energy: 0.9360320406460576
Energy: 0.9374007857227135
Energy: 0.9469556554505432
Energy: 1.0709468588020568
Energy: 0.9469556554505432
Energy: 0.9361098631671028
Energy: 0.9351485318276054
Energy: 1.082387745732546
Energy: 0.9351485318276054
Energy: 0.9446790750602986
Energy: 0.9407655118071506
Energy: 1.1816695260314718
Energy: 0.9407655118071506
Energy: 1.04764771781694
Energy: 0.9656193715270645
Energy: 1.1695693814504606
Energy: 0.9656193715270645
Energy: 1.073868337133417
Energy: 0.9104093146433787
Energy: 0.9141173263089182
Energy: 0.9104093146433787
Energy: 1.0551915719462837
Energy: 0.9089546981022739
Energy: 0.910178570030456
Energy: 0.9089546981022739
Energy: 1.1705629072600903
Energy: 0.9119365967856774
Energy: 0.9078802897208298
Energy: 0.9119365967849252
Energy: 1.177444921526157
Energy: 0.9086373548380348
Energy: 1.0712165971307634
Energy: 0.9086373548380348
Energy: 1.0040713052748989
Energy: 0.9596900276039575
Energy: 1.0718500139304903
Energy: 0.9596900276039575
Energy: 0.938881925631926
Energy: 0.9365041271509414
Energy: 1.07258807445517
Energy: 0.9365041271509414
Energy: 0.9437772253167961
Energy: 0.9387433998818104
Energy: 1.125780902421135
Energy: 0.9387433998818104
Energy: 0.9369027128195653
Energy: 0.9354743556956495
Energy: 0.9620590851563681
Energy: 0.9354743556956495
Energy: 1.0813098520177948
Energy: 0.9412375020232495
Energy: 0.9643021291879077
Energy: 0.9412375020232495
Energy: 1.0740064385555648
Energy: 1.0221560248936317
Energy: 1.0717106080555208
Energy: 1.0221560248928796
Energy: 1.0817123814683287
Energy: 0.9355287295472663
Energy: 0.9613747656642196
Energy: 0.9355287295472663
Energy: 1.0713675026293117
Energy: 0.9430629386405045
Energy: 1.0671246134329813
Energy: 0.9430629386405045
Energy: 1.0707419303406571
Energy: 0.9358777781029666
Energy: 0.9367737594602098
Energy: 0.9358777781029666
Energy: 1.1366237427070305
Energy: 0.9356947009327249
Energy: 0.9378701935669849
Energy: 0.9356947009327249
Energy: 1.1770041260918875
Energy: 0.9395646968150578
Energy: 0.9432676456483651
Energy: 0.9395646968150578
Energy: 1.1706188455459918
Energy: 0.9616543595136292
Energy: 1.055237304906206
Energy: 0.9616543595136292
Energy: 0.9191192204897376
Energy: 1.0002200130397423
Energy: 1.0740152034155699
Energy: 1.0002200130397423
Energy: 0.9149774221066346
Energy: 0.9100727911383228
Energy: 1.0489425062053404
Energy: 0.9100727911375708
Energy: 0.9081072647792527
Energy: 0.9105099754812154
Energy: 0.9759693967465168
Energy: 0.9105099754812154
Energy: 0.9232992552550217
Energy: 0.9091891027502932
Energy: 1.180692993724876
Energy: 0.9091891027502932
Energy: 1.0726855494736374
Energy: 0.9597000043880595
Energy: 1.0534607366651472
Energy: 0.9597000043880595
Energy: 1.0724623291536384
Energy: 0.937704897927825
Energy: 0.9410662813270908
Energy: 0.937704897927825
Energy: 1.122678316548777
Energy: 0.9374293572405534
Energy: 0.9411200840998187
Energy: 0.9374293572405534
Energy: 0.9636294407683855
Energy: 0.9353914734126063
Energy: 0.9368941003361614
Energy: 0.9353914734126063

minimum gb energy = 0.9078802897208298 eV
minimum distance =  2.29275428079557 Angstroms
sigma value = 1


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

Energy: 1.3076849389794778
Energy: 0.860992827506017
Energy: 1.0616687250106345
Energy: 0.8929002793136216
Energy: 0.9413024014711439
Energy: 0.8943097856598338
Energy: 1.0738138309530743
Energy: 0.8943097856598338
Energy: 1.0739861392108212
Energy: 0.9975593504756465
Energy: 1.0717026346890872
Energy: 0.9975593504756465
Energy: 0.9192975817397774
Energy: 0.8910316655413316
Energy: 1.0541208643360314
Energy: 0.8910316655434115
Energy: 1.0678126812085784
Energy: 0.8918935905005481
Energy: 1.0688387872222824
Energy: 0.8918935905005481
Energy: 0.8913459947170224
Energy: 0.911426084525948
Energy: 1.0695674795095325
Energy: 0.911426084525948
Energy: 0.8882044566323566
Energy: 0.8898732958907494
Energy: 1.0744793123659382
Energy: 0.8898732958907494
Energy: 0.8945588453182363
Energy: 0.8957920175019887
Energy: 1.2073721342419739
Energy: 0.8957920175019887
Energy: 1.0775122913263109
Energy: 0.937713042947714
Energy: 1.207938076556663
Energy: 0.937713042947714
Energy: 1.0712975050136866
Energy: 0.8974753794747808
Energy: 0.9134824601652766
Energy: 0.8974753794747808
Energy: 1.0739961993667007
Energy: 0.8898138489840636
Energy: 0.8881193664135211
Energy: 0.8898138489830236
Energy: 1.2096103361443744
Energy: 0.8999255040449987
Energy: 0.8926379720574905
Energy: 0.8999255040449987
Energy: 1.205244416114568
Energy: 0.8906103242353727
Energy: 1.070322594679722
Energy: 0.8906103242353727
Energy: 1.0762158472403798
Energy: 0.891407934972476
Energy: 1.0718187247247333
Energy: 0.891407934972476
Energy: 0.9242077849590677
Energy: 0.9961862537337289
Energy: 1.0717228912970915
Energy: 0.9961862537337289
Energy: 0.9180622794314321
Energy: 0.8930733733127307
Energy: 1.0704567772219156
Energy: 0.8930733733127307
Energy: 0.8982002551373043
Energy: 0.8920517975517663
Energy: 1.0687894506920101
Energy: 0.8920517975517663
Energy: 0.899139554091928
Energy: 0.8957269901833816
Energy: 1.082192797701104
Energy: 0.8957269901833816
Energy: 0.8887015131133877
Energy: 0.8908648748403086
Energy: 1.207030038266519
Energy: 0.8908648748403086
Energy: 0.9114568758777647
Energy: 0.9357637499744395
Energy: 1.207237180122147
Energy: 0.9357637499744395
Energy: 1.06820342667949
Energy: 0.9328513790021706
Energy: 1.0745084968216545
Energy: 0.9328513790021706
Energy: 1.0683497693588033
Energy: 0.8930634190987807
Energy: 0.8960978596478864
Energy: 0.8930634190987807
Energy: 1.1825799006505053
Energy: 0.8906963766649193
Energy: 0.8913401047545002
Energy: 0.8906963766649193
Energy: 1.2055667401828727
Energy: 0.8905738653127959
Energy: 0.889852868017975
Energy: 0.8905738653127959

minimum gb energy = 0.860992827506017 eV
minimum distance =  2.29018750304764 Angstroms
sigma value = 17


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

Energy: 1.4702120528322697
Energy: 0.8760893317490496
Energy: 1.0776537602567042
Energy: 0.8857210195143849
Energy: 0.9188739289173401
Energy: 0.8871552551550645
Energy: 1.0111108611119726
Energy: 0.8871552551550645
Energy: 1.142476541997145
Energy: 0.8827066925208721
Energy: 1.0062088223975452
Energy: 0.8827066925208721
Energy: 1.1532758284627573
Energy: 1.0009042068417398
Energy: 1.0082290206713833
Energy: 1.0009042068423826
Energy: 1.033627736940623
Energy: 0.8645014220923578
Energy: 1.22852913845979
Energy: 0.8645014220917151
Energy: 0.8654652590481834
Energy: 0.8640157508706724
Energy: 1.1443139419924508
Energy: 0.8640157508706724
Energy: 0.8647693228772901
Energy: 0.863336523796799
Energy: 0.9195396326012085
Energy: 0.863336523796799
Energy: 0.8726483686189284
Energy: 0.8671192237961861
Energy: 1.2343886986425625
Energy: 0.8671192237961861
Energy: 1.178297156112706
Energy: 0.868975968938113
Energy: 1.059183607993598
Energy: 0.868975968938113
Energy: 1.0605523746148284
Energy: 1.0297801815383796
Energy: 1.0245212653059883
Energy: 1.0297801815383796
Energy: 1.1676550782171202
Energy: 1.0132000609537979
Energy: 0.9538751259710719
Energy: 1.0132000609537979
Energy: 1.1432762347717322
Energy: 0.8956516394547627
Energy: 0.994284632685639
Energy: 0.8956516394547627
Energy: 1.1474773736180721
Energy: 0.8898347650970311
Energy: 0.8906619376553202
Energy: 0.8898347650970311
Energy: 1.1293729146292941
Energy: 0.8897061796268096
Energy: 0.891652206905674
Energy: 0.8897061796268096
Energy: 1.1461408533630284
Energy: 0.8926773433564533
Energy: 0.8991190193148583
Energy: 0.8926773433564533
Energy: 1.2269761999993847
Energy: 0.9171201626206267
Energy: 0.9847136023872429
Energy: 0.9171201626206267
Energy: 0.9407087665204236
Energy: 1.1805492543238572
Energy: 1.2380963972172092
Energy: 1.1805492543245
Energy: 0.925934707821996
Energy: 0.8614646908428817
Energy: 1.1035166720207945
Energy: 0.8614646908428817
Energy: 0.9320336334764825
Energy: 0.8667388692510055
Energy: 1.103079623700186
Energy: 0.8667388692510055
Energy: 0.920524762789038
Energy: 0.8625312375088867
Energy: 1.257147149357373
Energy: 0.8625312375095294
Energy: 1.0417424701791824
Energy: 0.8626601019113109
Energy: 0.9396806811428798
Energy: 0.8626601019113109
Energy: 1.042584554561419
Energy: 0.8628229296095724
Energy: 1.1424159188020948
Energy: 0.8628229296095724
Energy: 1.0301667552928961
Energy: 0.9145221378118102
Energy: 1.1477228792473462
Energy: 0.9145221378118102
Energy: 1.2314582551823703
Energy: 0.8725968902037109
Energy: 1.0576077543898816
Energy: 0.8725968902030683
Energy: 1.1435797002363657
Energy: 0.8784287893837036
Energy: 0.8721201128111903
Energy: 0.8784287893837036
Energy: 1.046404834251269
Energy: 0.8717235664536226
Energy: 0.873790634485994
Energy: 0.8717235664536226
Energy: 1.2221854929002938
Energy: 0.877104812729507
Energy: 0.884539871934355
Energy: 0.877104812729507
Energy: 1.0645469624597235
Energy: 0.8740682647497906
Energy: 1.1823112500746957
Energy: 0.8740682647497906
Energy: 1.0129697043603612
Energy: 1.0369876935468212
Energy: 1.0563471191769387
Energy: 1.036987693547464
Energy: 0.9522092554041949
Energy: 0.8821798569668537
Energy: 1.1516438452581814
Energy: 0.8821798569674966
Energy: 0.9841554195303931
Energy: 0.8926012963459715
Energy: 1.144585811991565
Energy: 0.8926012963459715
Energy: 0.8826291776214309
Energy: 0.883597097886293
Energy: 1.1447503053947417
Energy: 0.883597097886293
Energy: 0.8821197334168346
Energy: 0.8814091997483953
Energy: 1.1372240072961024
Energy: 0.8814091997483953
Energy: 0.8962310810126973
Energy: 0.8876901559132796
Energy: 1.148434103106625
Energy: 0.8876901559132796
Energy: 1.1742565581692772
Energy: 0.912180838745157
Energy: 1.223272697757039
Energy: 0.912180838745157
Energy: 1.237505878153106
Energy: 0.8898496362803189
Energy: 0.8926517254837533
Energy: 0.8898496362803189
Energy: 1.174159378846955
Energy: 0.8814221466236892
Energy: 0.881342589372019
Energy: 0.8814221466236892
Energy: 1.058437675641694
Energy: 0.8875539045538772
Energy: 0.9031810318579803
Energy: 0.8875539045538772

minimum gb energy = 0.8614646908428817 eV
minimum distance =  2.28946486584238 Angstroms
sigma value = 89


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

Energy: 1.4528846517105183
Energy: 0.8325369080570435
Energy: 0.8061849187758633
Energy: 0.8060951467000173
Energy: 0.7985835964093676
Energy: 0.8851934161645197
Energy: 0.8229888134803459
Energy: 0.8851934161645197
Energy: 0.7961054600961422
Energy: 0.88608289389855
Energy: 0.8249903321914722
Energy: 0.88608289389855
Energy: 0.7973404295480286
Energy: 0.8869240046399837
Energy: 0.8040609001423673
Energy: 0.8869240046399837
Energy: 0.8027250299448193
Energy: 0.803706878279798
Energy: 1.0412035344692112
Energy: 0.803706878279798
Energy: 0.8027284454350099
Energy: 0.8039585015209474
Energy: 0.8520190543931051
Energy: 0.8039585015209474
Energy: 0.8028088868029511
Energy: 0.8010055569800887
Energy: 0.80536003808865
Energy: 0.8010055569817703
Energy: 0.8057502941040551
Energy: 0.8076525592629724
Energy: 0.7949337404593978
Energy: 0.8076525592629724
Energy: 0.8063141094956188
Energy: 0.8062264112812123
Energy: 0.7943785508313339
Energy: 0.8062264112812123
Energy: 0.8605055164137437
Energy: 0.8884364528339272
Energy: 0.8236007516760349
Energy: 0.8884364528339272
Energy: 0.8045793215888298
Energy: 0.888802768691767
Energy: 0.7943891270818977
Energy: 0.888802768691767
Energy: 0.852023176520488
Energy: 0.808751143923383
Energy: 0.805095840279457
Energy: 0.808751143923383
Energy: 1.0421823909224477
Energy: 0.8049554753843011
Energy: 0.8052157156828756
Energy: 0.8049554753843011
Energy: 0.8042474650058649
Energy: 0.8004822575012875
Energy: 0.8010016380844611
Energy: 0.8004822575012875
Energy: 0.8014539607792427
Energy: 0.804134343250295
Energy: 0.8049710997019346
Energy: 0.804134343250295

minimum gb energy = 0.7943785508313339 eV
minimum distance =  2.31702410945111 Angstroms
sigma value = 13


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

Energy: 1.2908460602210698
Energy: 0.7713558968262684
Energy: 1.0095215328223266
Energy: 0.7647412781275567
Energy: 1.2004800537492692
Energy: 0.7641612206489573
Energy: 0.8892916084365485
Energy: 0.7641612206489573
Energy: 1.1989193874325124
Energy: 0.7615550626693187
Energy: 0.8867658393645839
Energy: 0.761555062667909
Energy: 1.0019519469393943
Energy: 0.7650524650867361
Energy: 0.8788934758679264
Energy: 0.7650524650860312
Energy: 1.0487936138705436
Energy: 0.7628113739163874
Energy: 1.1036297582795456
Energy: 0.7628113739163874
Energy: 0.8922168716439947
Energy: 0.7629883345485906
Energy: 1.102138535302358
Energy: 0.7629883345485906
Energy: 0.8880528375873407
Energy: 0.761912436166338
Energy: 1.0604785467488862
Energy: 0.7619124361656331
Energy: 0.8793903622497237
Energy: 0.7632970016298543
Energy: 1.0945021330119395
Energy: 0.7632970016298543
Energy: 0.7760108546934796
Energy: 0.76357123867723
Energy: 1.1030763871427751
Energy: 0.76357123867723
Energy: 0.7646227291943813
Energy: 0.7614633718404693
Energy: 1.1004672851240738
Energy: 0.7614633718404693
Energy: 0.7633873965169768
Energy: 0.7669976168342334
Energy: 1.213467539655448
Energy: 0.7669976168342334
Energy: 1.1031254799570724
Energy: 0.7616673644045836
Energy: 1.1002833065671551
Energy: 0.7616673644045836
Energy: 1.1050615105921529
Energy: 0.8094436453922074
Energy: 1.1040486601278336
Energy: 0.8094436453922074
Energy: 1.0986642247712075
Energy: 0.8119638945732254
Energy: 1.0025319665224837
Energy: 0.8119638945732254
Energy: 1.1045662429617966
Energy: 0.7637338247165065
Energy: 1.0432926415778887
Energy: 0.7637338247165065
Energy: 1.1073345090806284
Energy: 0.7624189020254143
Energy: 0.7652075210155379
Energy: 0.7624189020254143
Energy: 1.1099881108325405
Energy: 0.7618351767958844
Energy: 0.7653284144116829
Energy: 0.7618351767958844
Energy: 1.2088233577061607
Energy: 0.7632479289015581
Energy: 0.7681431115767227
Energy: 0.7632479289015581
Energy: 0.9794734190551738
Energy: 0.7636100336106931
Energy: 0.9042763793952242
Energy: 0.7636100336113981
Energy: 1.1005544443483488
Energy: 0.7608160163356552
Energy: 0.8852047303859252
Energy: 0.7608160163349504
Energy: 1.0132342674811665
Energy: 0.7671945297086257
Energy: 0.8747736977903533
Energy: 0.7671945297107403
Energy: 1.1006042302890282
Energy: 0.8196041239512353
Energy: 1.1019544175678322
Energy: 0.8196041239512353
Energy: 0.8916958491510267
Energy: 0.7650106230325789
Energy: 1.1043902635659197
Energy: 0.7650106230332838
Energy: 0.7654880967094349
Energy: 0.7606329883037212
Energy: 1.044119950135442
Energy: 0.7606329883037212
Energy: 0.8767804924644585
Energy: 0.762659464708111
Energy: 1.1083417068142387
Energy: 0.762659464708111
Energy: 0.7629375842392888
Energy: 0.7760105670497277
Energy: 1.1045035135316057
Energy: 0.7760105670504326
Energy: 0.7611395263959528
Energy: 0.7603338651796607
Energy: 1.0473124423015339
Energy: 0.7603338651803655
Energy: 0.7746716082362062
Energy: 0.7655980885956307
Energy: 1.209413176003812
Energy: 0.7655980885963356
Energy: 1.090012736022393
Energy: 0.7642092984289768
Energy: 0.9795748100921109
Energy: 0.7642092984289768
Energy: 0.8844238781469473
Energy: 0.8121652877930783
Energy: 1.1074124187637047
Energy: 0.8121652877930783
Energy: 1.0923813605662465
Energy: 0.8166297019190268
Energy: 1.013510949572622
Energy: 0.8166297019190268
Energy: 1.1058049761870716
Energy: 0.7631398857965067
Energy: 1.0417252399375372
Energy: 0.7631398857958017
Energy: 1.105273632204584
Energy: 0.7635714349507431
Energy: 0.7698885957507327
Energy: 0.7635714349500381
Energy: 1.0460108579933842
Energy: 0.7603080359690145
Energy: 0.7611061455575722
Energy: 0.7603080359690145
Energy: 0.9789693982058298
Energy: 0.7627972897841039
Energy: 0.7667809694902262
Energy: 0.7627972897841039

minimum gb energy = 0.7603080359690145 eV
minimum distance =  2.31412789855371 Angstroms
sigma value = 37


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

Energy: 1.1260796737193515
Energy: 0.7336552315582224
Energy: 0.6944130529554892
Energy: 0.6935974134307793
Energy: 1.0815501578284497
Energy: 0.6935849071292658
Energy: 0.8946840298147763
Energy: 0.6935849071292658
Energy: 1.0819723053716017
Energy: 0.6927427322998815
Energy: 0.8924508531462192
Energy: 0.6927427322986687
Energy: 1.080888519641668
Energy: 0.782308618866497
Energy: 0.8897962213475654
Energy: 0.782308618866497
Energy: 1.0971329021352025
Energy: 0.7816647586686933
Energy: 0.8887386976857008
Energy: 0.7816647586674806
Energy: 0.894609688667642
Energy: 0.6936564211144686
Energy: 0.9183424886622825
Energy: 0.6936564211144686
Energy: 0.6944253187437921
Energy: 0.6919824718309824
Energy: 1.0978134189199131
Energy: 0.6919824718309824
Energy: 0.7035505902579983
Energy: 0.6999597318809551
Energy: 1.093714333374828
Energy: 0.6999597318809551
Energy: 0.693512834297126
Energy: 0.6962815515890397
Energy: 1.094754019451002
Energy: 0.6962815515890397
Energy: 0.6935817344135549
Energy: 0.6935252358976398
Energy: 1.0998833004119315
Energy: 0.6935252358976398
Energy: 0.694413055015039
Energy: 0.6935974138417079
Energy: 1.1260796737193515
Energy: 0.7336552315582224
Energy: 0.8946840298147763
Energy: 0.6935849071292658
Energy: 1.0815501578284497
Energy: 0.6935849071292658
Energy: 0.8924508531462192
Energy: 0.6927427322998815
Energy: 1.0819723053716017
Energy: 0.6927427322998815
Energy: 0.8897962213390761
Energy: 0.782308618866497
Energy: 1.080888519641668
Energy: 0.782308618866497
Energy: 0.8887386976857008
Energy: 0.7816647586674806
Energy: 1.0971329021352025
Energy: 0.7816647586674806
Energy: 0.9183424886622825
Energy: 0.6936564211144686
Energy: 0.894609688667642
Energy: 0.6936564211144686
Energy: 1.0978134189199131
Energy: 0.6919824718309824
Energy: 0.6944253187437921
Energy: 0.6919824718309824
Energy: 1.093714333374828
Energy: 0.6999597318809551
Energy: 0.7035505902592111
Energy: 0.6999597318809551
Energy: 1.094754019451002
Energy: 0.6962815515890397
Energy: 0.693512834297126
Energy: 0.6962815515890397
Energy: 1.0998833004143571
Energy: 0.6935252358976398
Energy: 0.6935817344135549
Energy: 0.6935252358976398

minimum gb energy = 0.6919824718309824 eV
minimum distance =  2.31944907253686 Angstroms
sigma value = 25


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

Energy: 1.344773489822287
Energy: 0.6243927876681443
Energy: 0.9066377177227408
Energy: 0.6205327254029331
Energy: 1.2097711092930228
Energy: 0.6173985009778467
Energy: 0.7800794870971768
Energy: 0.6173985009778467
Energy: 1.2098655225730488
Energy: 0.616416529946987
Energy: 0.777839371379637
Energy: 0.616416529946987
Energy: 0.9367374079720603
Energy: 0.6210565678521647
Energy: 0.9528915556936901
Energy: 0.6210565678521647
Energy: 1.2184763473386162
Energy: 0.6864819757415829
Energy: 1.077219564796015
Energy: 0.6864819757415829
Energy: 0.9350809711985211
Energy: 0.6860415056171665
Energy: 1.0758773087029476
Energy: 0.6860415056171665
Energy: 0.9347554463395007
Energy: 0.687325793022469
Energy: 1.2190645615694107
Energy: 0.687325793022469
Energy: 0.9529821234132746
Energy: 0.621715821496257
Energy: 1.0726652716291525
Energy: 0.621715821496257
Energy: 0.7782869195204402
Energy: 0.6163018958327597
Energy: 1.2201887458427205
Energy: 0.6163018958327597
Energy: 0.7802227482021195
Energy: 0.6174433942762024
Energy: 1.2202970118807868
Energy: 0.6174433942762024
Energy: 0.6178394785233208
Energy: 0.6209585341427502
Energy: 1.1457221948755452
Energy: 0.6209585341427502
Energy: 0.6205518224033305
Energy: 0.6171570428647329
Energy: 1.2196124602091736
Energy: 0.6171570428647329
Energy: 0.6189397928128935
Energy: 0.6192249617983706
Energy: 1.2101752055922226
Energy: 0.6192249617983706
Energy: 0.7770561255046877
Energy: 0.623506518266978
Energy: 1.2078251834096556
Energy: 0.623506518266978
Energy: 0.7794080504159476
Energy: 0.616329435049522
Energy: 1.2180605168160406
Energy: 0.616329435049522
Energy: 0.7813955981288364
Energy: 0.6177862284683514
Energy: 1.213876461091656
Energy: 0.6177862284683514
Energy: 1.0800131490257012
Energy: 0.6182627790151385
Energy: 1.217531681089635
Energy: 0.6182627790151385
Energy: 0.7764210354698949
Energy: 0.6901682940882542
Energy: 1.0855462375765998
Energy: 0.6901682940882542
Energy: 1.077176588224996
Energy: 0.687119981018604
Energy: 0.934371942599064
Energy: 0.687119981019551
Energy: 1.2202781351260985
Energy: 0.6867270882321744
Energy: 0.9342765484031876
Energy: 0.6867270882312274
Energy: 1.0734041092335884
Energy: 0.6197573122151111
Energy: 0.7878199216394633
Energy: 0.6197573122151111
Energy: 1.219661061529436
Energy: 0.6156030219227224
Energy: 0.6172835786736923
Energy: 0.6156030219227224
Energy: 1.2165745096369616
Energy: 0.6191986751357234
Energy: 0.7763945712679327
Energy: 0.6191986751357234
Energy: 1.07879257141682
Energy: 0.6237878690613555
Energy: 0.6232021514289867
Energy: 0.6237878690623027
Energy: 1.217563033843952
Energy: 0.616359260827847
Energy: 0.6168498914256793
Energy: 0.616359260827847
Energy: 1.2119029772398169
Energy: 0.6182867779434961
Energy: 0.6222762173865274
Energy: 0.6182867779434961

minimum gb energy = 0.6156030219227224 eV
minimum distance =  2.3186902591137 Angstroms
sigma value = 41


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

Energy: 1.3128707000029238
Energy: 0.5704998492224853
Energy: 0.8676702362963659
Energy: 0.5672091373910093
Energy: 1.3050368133337769
Energy: 0.562210169270908
Energy: 0.6988497444177134
Energy: 0.562210169270908
Energy: 1.2947838061884096
Energy: 0.5603841358242442
Energy: 0.696894061444288
Energy: 0.5603841358242442
Energy: 1.070857169502512
Energy: 0.5659133038484301
Energy: 0.9587160841119445
Energy: 0.5659133038476538
Energy: 1.3000771973576817
Energy: 0.5587709212489422
Energy: 0.9484679046041927
Energy: 0.5587709212489422
Energy: 1.0628406894701865
Energy: 0.5603362107845199
Energy: 0.9464135432859534
Energy: 0.5603362108039295
Energy: 1.06730938433118
Energy: 0.6199828401290144
Energy: 1.1829412625596274
Energy: 0.6199828401290144
Energy: 1.073597250070015
Energy: 0.624328556730913
Energy: 0.9477073412985235
Energy: 0.624328556730913
Energy: 0.8253658822422685
Energy: 0.5604870139058733
Energy: 1.18003494461587
Energy: 0.5604870138748178
Energy: 0.8259661893195347
Energy: 0.55916392863454
Energy: 1.3014020138127227
Energy: 0.5591639286353165
Energy: 0.7063893037670699
Energy: 0.5649887034854416
Energy: 1.193109220356891
Energy: 0.564988703486218
Energy: 0.6952553822894059
Energy: 0.559423810681097
Energy: 1.3025958610265307
Energy: 0.559423810681097
Energy: 0.7012226146031284
Energy: 0.5620312827689512
Energy: 1.305664341746396
Energy: 0.5620312827681746
Energy: 0.5698345527476598
Energy: 0.5669789408823828
Energy: 1.187132322311864
Energy: 0.5669789408823828
Energy: 0.5620574734048724
Energy: 0.5605887507175024
Energy: 1.2999751366984686
Energy: 0.5605887507175024
Energy: 0.5657369945077003
Energy: 0.561846887899839
Energy: 1.2980533552363827
Energy: 0.561846887899839
Energy: 0.7034696340376627
Energy: 0.5642436029379704
Energy: 1.3033434302392257
Energy: 0.5642436029379704
Energy: 0.6926538948797907
Energy: 0.5597039978901225
Energy: 1.3005522976791017
Energy: 0.5597039978901225
Energy: 0.6961181275779308
Energy: 0.5634796922052169
Energy: 1.0655083882803125
Energy: 0.5634796922044404
Energy: 0.9522425042651308
Energy: 0.5615136087475674
Energy: 1.0628701556014901
Energy: 0.5615136087475674
Energy: 0.9526528791816449
Energy: 0.559848970615766
Energy: 1.1826320795186405
Energy: 0.559848970615766
Energy: 0.9536221453588483
Energy: 0.6185266924506572
Energy: 1.0683579558316776
Energy: 0.6185266924491044
Energy: 1.1797500989765481
Energy: 0.617051025294611
Energy: 1.0624407099439446
Energy: 0.617051025294611
Energy: 0.9467266997418542
Energy: 0.6183688347843331
Energy: 0.9523079881120468
Energy: 0.6183688347843331
Energy: 1.1840219341288414
Energy: 0.5595281685302956
Energy: 0.8258077759394715
Energy: 0.5595281685302956
Energy: 1.1810571442843338
Energy: 0.5612052244094249
Energy: 0.9515466866839576
Energy: 0.5612052244086485
Energy: 1.1865785051806867
Energy: 0.5638892902744433
Energy: 0.7051285628271455
Energy: 0.5638892902744433
Energy: 1.2988094835251514
Energy: 0.5595899230380569
Energy: 0.6946871113920533
Energy: 0.5595899230380569
Energy: 1.1832836461046785
Energy: 0.563217785578327
Energy: 0.7026067100020181
Energy: 0.563217785578327
Energy: 1.1802689608950325
Energy: 0.5659783478658079
Energy: 0.5670928691253669
Energy: 0.5659783478658079
Energy: 1.2998522966004604
Energy: 0.5606934658499054
Energy: 0.5612991017261472
Energy: 0.5606934658499054
Energy: 1.304798876384767
Energy: 0.56592265527848
Energy: 0.5681277229305889
Energy: 0.56592265527848

minimum gb energy = 0.5587709212489422 eV
minimum distance =  2.32152166841193 Angstroms
sigma value = 15


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

Energy: 1.2843593758065444
Energy: 0.528744770631217
Energy: 0.8337076253527649
Energy: 0.5243242118780129
Energy: 1.3635395336503868
Energy: 0.5187744134069906
Energy: 0.634047086485828
Energy: 0.5187744134076483
Energy: 1.3536104243223943
Energy: 0.517677222554567
Energy: 0.632902286293806
Energy: 0.517677222554567
Energy: 1.1623490730700026
Energy: 0.5226187004901218
Energy: 0.8629469387189179
Energy: 0.5226187004901218
Energy: 1.2636446550990539
Energy: 0.5149952818767684
Energy: 0.8472137302366443
Energy: 0.5149952818767684
Energy: 1.1534827272118438
Energy: 0.5161742230799948
Energy: 0.8490520466074117
Energy: 0.5161742230787393
Energy: 0.9515832818514846
Energy: 0.5184635941334451
Energy: 1.0592319564178876
Energy: 0.5184635942820267
Energy: 1.0624904795483483
Energy: 0.5665436689130877
Energy: 0.8485765160134033
Energy: 0.5665436689137454
Energy: 0.9508898644363705
Energy: 0.5650169884892673
Energy: 1.0523739002030574
Energy: 0.5650169884892673
Energy: 0.9493154021985736
Energy: 0.7145198178825499
Energy: 1.2530097463568248
Energy: 0.7145198178818922
Energy: 0.8601167634238892
Energy: 0.5191070412087848
Energy: 1.0676829803141534
Energy: 0.5191070412771264
Energy: 0.7403148247620412
Energy: 0.5150984478299278
Energy: 1.2537883194357144
Energy: 0.5150984478299278
Energy: 0.8503998407340114
Energy: 0.5161934725909344
Energy: 1.252762948894689
Energy: 0.5161934725915921
Energy: 0.6434846875196639
Energy: 0.5223314762150064
Energy: 1.058982732070683
Energy: 0.5223314762156642
Energy: 0.6291885562003282
Energy: 0.515764412068329
Energy: 1.3569146483399168
Energy: 0.5157644120689868
Energy: 0.6404504524670154
Energy: 0.5197358810223072
Energy: 1.2551466288335327
Energy: 0.5197358810223072
Energy: 0.5258786971602293
Energy: 0.5202314465645068
Energy: 1.2612729810507206
Energy: 0.5202314465638491
Energy: 0.5166570247264157
Energy: 0.5165837718226566
Energy: 1.3558364907522247
Energy: 0.5165837718226566
Energy: 0.5273902639457945
Energy: 0.5197434219583346
Energy: 1.1572036862519306
Energy: 0.5197434219576769
Energy: 0.640469133156422
Energy: 0.5185582153911609
Energy: 1.359051324426965
Energy: 0.5185582153911609
Energy: 0.6271972257012867
Energy: 0.5156398507691146
Energy: 1.357083687528787
Energy: 0.5156398507691146
Energy: 0.6430429666300446
Energy: 0.5214676550082695
Energy: 1.1616901354187283
Energy: 0.5214676550082695
Energy: 0.8518210604312761
Energy: 0.5167286605523056
Energy: 1.151758383969814
Energy: 0.5167286605523056
Energy: 0.8478490599364644
Energy: 0.5155169565525514
Energy: 1.256294782518419
Energy: 0.515516956551236
Energy: 0.8607908157475107
Energy: 0.5190852037398964
Energy: 0.956851430360392
Energy: 0.5190852037392387
Energy: 1.0529553347110405
Energy: 0.7156362716708702
Energy: 1.2555775478330116
Energy: 0.7156362716708702
Energy: 0.8467509687110262
Energy: 0.565268873623065
Energy: 1.0539624422009248
Energy: 0.5652688736237228
Energy: 1.0611017485030836
Energy: 0.5716283165902696
Energy: 0.9559641782519345
Energy: 0.5716283165902696
Energy: 1.0547152002922286
Energy: 0.518133079670872
Energy: 1.0581878844740495
Energy: 0.518133079670872
Energy: 1.051920242667677
Energy: 0.5163680027393244
Energy: 0.8502653632744049
Energy: 0.5163680027386667
Energy: 1.2637980554344639
Energy: 0.5147998093688307
Energy: 0.7398863528424666
Energy: 0.5147998093688307
Energy: 1.0586664638035694
Energy: 0.5219432775522637
Energy: 0.8610562066322865
Energy: 0.5219432775522637
Energy: 1.2531637124510142
Energy: 0.5175616190757099
Energy: 0.6360646260386289
Energy: 0.5175616190757099
Energy: 1.3591468027775298
Energy: 0.5180078776680375
Energy: 0.6342135803184027
Energy: 0.5180078776680375
Energy: 1.2664120898571165
Energy: 0.5218385647658755
Energy: 0.6511955432637382
Energy: 0.5218385647685063
Energy: 1.3600982313844987
Energy: 0.5185787655399804
Energy: 0.5227882778216308
Energy: 0.5185787655393228
Energy: 1.3521187440884497
Energy: 0.5190968172245798
Energy: 0.5183915346534405
Energy: 0.5190968172245798

minimum gb energy = 0.5147998093688307 eV
minimum distance =  2.31777814327854 Angstroms
sigma value = 85


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

Energy: 1.4403571660828638
Energy: 0.49002648543426136
Energy: 0.4656471104614088
Energy: 0.46542448852858914
Energy: 1.3832228207221346
Energy: 0.467322694285912
Energy: 0.5696500078067191
Energy: 0.467322694285912
Energy: 1.2503098669158144
Energy: 0.46680368112467807
Energy: 0.5695340047600878
Energy: 0.46680368112467807
Energy: 1.0695607038021304
Energy: 0.46551469803731604
Energy: 0.758048920760331
Energy: 0.4655146980378865
Energy: 1.296741327978203
Energy: 0.46525321284827453
Energy: 0.7572839187220376
Energy: 0.46525321284827453
Energy: 1.071475987368911
Energy: 0.4659908338629816
Energy: 0.7607682472605786
Energy: 0.46599083392342117
Energy: 1.0759410168205268
Energy: 0.46625931652426517
Energy: 0.9398979075409296
Energy: 0.4662593165037297
Energy: 1.1208688983444302
Energy: 0.4654198288993245
Energy: 0.8038396242955675
Energy: 0.4654198288998949
Energy: 1.0750996241362056
Energy: 0.4666423857017089
Energy: 0.94205075932313
Energy: 0.4666423857039906
Energy: 1.0748522658359836
Energy: 0.552267342771888
Energy: 1.119842185526574
Energy: 0.5522673427724585
Energy: 0.9413469890012915
Energy: 0.46502404107323103
Energy: 0.9823760672798234
Energy: 0.46502404106809714
Energy: 0.8959396036563975
Energy: 0.46536424402952314
Energy: 1.1205580696576898
Energy: 0.4653642440112694
Energy: 0.9416724996747006
Energy: 0.4649369375867881
Energy: 1.1617279780509533
Energy: 0.4649369375862177
Energy: 0.7590725708288152
Energy: 0.4668418949047461
Energy: 0.9799134431810212
Energy: 0.4668418949070278
Energy: 0.7082826003084246
Energy: 0.4648830574153429
Energy: 1.2952205351717458
Energy: 0.4648830574153429
Energy: 0.7660756024310486
Energy: 0.4671612876216732
Energy: 1.1627400397613197
Energy: 0.4671612876222436
Energy: 0.5649336782002765
Energy: 0.4652762472119487
Energy: 1.1601662616915123
Energy: 0.4652762472119487
Energy: 0.5645118258853877
Energy: 0.46562891465491235
Energy: 1.3436094848314568
Energy: 0.46562891465491235
Energy: 0.5606436175120247
Energy: 0.4655915243349269
Energy: 1.3370132940880224
Energy: 0.4655915243349269
Energy: 0.5119858482029944
Energy: 0.464769105371762
Energy: 1.3354532607025187
Energy: 0.464769105371762
Energy: 0.5123381208044863
Energy: 0.46303065759892154
Energy: 1.3847230156875696
Energy: 0.4630306575983511
Energy: 0.5147958068608864
Energy: 0.4628921652581709
Energy: 1.2041286009577703
Energy: 0.4628921652581709
Energy: 0.6126017597900001
Energy: 0.46604164170436574
Energy: 1.3836534174799755
Energy: 0.46604164170436574
Energy: 0.6135572708601588
Energy: 0.4647603331567825
Energy: 1.3803715464281212
Energy: 0.4647603331562121
Energy: 0.6152053630949083
Energy: 0.46289823034798344
Energy: 1.071216870805675
Energy: 0.46289823034684263
Energy: 0.7578749088496263
Energy: 0.46499834901287723
Energy: 1.3872180901310833
Energy: 0.46499834901287723
Energy: 0.7563778339242189
Energy: 0.46469730058584735
Energy: 1.250947644061287
Energy: 0.4646973005864178
Energy: 0.8700460372512032
Energy: 0.46640656615392134
Energy: 1.0739069196895197
Energy: 0.466406566148217
Energy: 0.941128527945213
Energy: 0.46463269587838074
Energy: 1.2567788491369831
Energy: 0.4646326958778103
Energy: 0.9403146298185868
Energy: 0.46450730966851966
Energy: 1.0725895119820712
Energy: 0.4645072968384345
Energy: 1.1251024083447656
Energy: 0.5526385940737057
Energy: 0.894372563564809
Energy: 0.5526385940748466
Energy: 0.9874291878076382
Energy: 0.5520306578606536
Energy: 1.0924818903172462
Energy: 0.5520306578201791
Energy: 1.1206948781884356
Energy: 0.6219604670464135
Energy: 0.8924606883720917
Energy: 0.6219604670464135
Energy: 1.2955661485120311
Energy: 0.46546879473554514
Energy: 0.8929078068141989
Energy: 0.4654687947212845
Energy: 0.9811187205801752
Energy: 0.4677213100545417
Energy: 0.7623789589675573
Energy: 0.4677213100528304
Energy: 1.2969931365409169
Energy: 0.4653315388051304
Energy: 0.7572569301126443
Energy: 0.4653315388051304
Energy: 1.3382296202066106
Energy: 0.4660797793118578
Energy: 0.7596586801976832
Energy: 0.4660797793124282
Energy: 1.1608165747799009
Energy: 0.4655336888202319
Energy: 0.5678026361667805
Energy: 0.4655336888202319
Energy: 1.3870375145217386
Energy: 0.4655006890454001
Energy: 0.564402179337864
Energy: 0.4655006890454001
Energy: 1.3400854860942852
Energy: 0.46564720976547
Energy: 0.573199896230244
Energy: 0.46564720976547
Energy: 1.1589098777743383
Energy: 0.4656451068980974
Energy: 0.46691644226136736
Energy: 0.4656451068980974
Energy: 1.384171938165607
Energy: 0.46562711997428724
Energy: 0.46604330114391385
Energy: 0.46562711997428724
Energy: 1.2487519452030558
Energy: 0.4669608480432086
Energy: 0.4657991154328413
Energy: 0.4669608480432086

minimum gb energy = 0.4628921652581709 eV
minimum distance =  2.31336898382016 Angstroms
sigma value = 113


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

Energy: 0.015207168675486065
Energy: 0.015814994346800563
Energy: 1.0990709528694103
Energy: 0.44963031954828553
Energy: 0.016132935651333013
Energy: 0.11278428094397311
Energy: 0.762762810339404
Energy: 0.11278428094397311
Energy: 0.015838674653541558
Energy: 0.11121187856130957
Energy: 0.7613916072066511
Energy: 0.11121187856130957
Energy: 0.016947834652469573
Energy: 0.11349680663909563
Energy: 0.7629824315275102
Energy: 0.11349680663909563
Energy: 0.7601599688229794
Energy: 0.11287627479466743
Energy: 0.7614136576977292
Energy: 0.11287627479466743
Energy: 0.015731867334666937
Energy: 0.11098658424033798
Energy: 0.7611682343077878
Energy: 0.11098658423989947

minimum gb energy = 0.015207168675486065 eV
minimum distance =  2.53596782780452 Angstroms
sigma value = 1