Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969113925499
mass=55.845
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=[0.0, 0.0, 0.0, 2.3958628949509198e-20, 1.6376167811440797e-19, 3.1426854893573397e-19, 4.29412177091412e-19, 5.057478828183419e-19, 5.49174880482912e-19, 5.707706193325979e-19, 5.886909649838879e-19, 6.04470802652154e-19, 6.183312327128879e-19, 6.304533011257319e-19, 6.40986010317648e-19, 6.5005913659598985e-19, 6.577832301485039e-19, 6.642560237498639e-19, 6.69559228408404e-19, 6.73766544249288e-19, 6.76946864867778e-19, 6.791546642694299e-19, 6.80446018636434e-19, 6.808657889145419e-19, 6.804139751037539e-19, 6.789511878369119e-19, 6.76297983331008e-19, 6.722396699170859e-19, 6.66518297157072e-19, 6.588278493138719e-19, 6.48796621408398e-19, 6.3597600398313e-19, 6.198020308629e-19, 5.974965277643519e-19, 5.66596949201028e-19, 5.2637110045119e-19, 4.7639120035355995e-19, 4.1620223074408197e-19, 3.44854100878794e-19, 2.60491490215524e-19, 1.6014075892156799e-19, 3.9723406157415597e-20, -1.074007891365462e-19, -2.9355560941138197e-19, -5.31948277314144e-19, -8.45401318343172e-19, -1.375255550796678e-18, -2.13486832127232e-18, -3.08705791662486e-18, -4.28715230255622e-18, -6.108218308293299e-18, -9.038375067150539e-18, -1.40918644755153e-17, -2.34492969975606e-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: 0.0164269616813831
Energy: 0.12760124450177554
Energy: 1.2005642360567739
Energy: 0.017180587037309052
Energy: 0.1276012445011819
Energy: 1.603996171458506
Energy: 0.017180587037309052
Energy: 1.603996171457912
Energy: 1.2005642360543298
Energy: 0.017180587037937605
Energy: 0.0164269616813831
Energy: 0.12760124450177554
Energy: 0.017180587037937605
Energy: 1.6039961714572835
Energy: 0.12760124450240412
Energy: 1.6039961714566902

minimum gb energy = 0.0164269616813831 eV
minimum distance =  2.53740344832872 Angstroms
sigma value = 1


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

Energy: 1.9709091243023606
Energy: 1.2870166889222048
Energy: 1.1631690633844611
Energy: 1.360482695361603
Energy: 1.1934210556969034
Energy: 1.1407577828518198
Energy: 1.1905304289369323
Energy: 1.1407577828556312
Energy: 1.1641206119024903
Energy: 1.2874759147362154
Energy: 2.143050411375461
Energy: 1.287475914735453
Energy: 1.1991305757032626
Energy: 1.2172930699935636
Energy: 1.1910797037914134
Energy: 1.217293069940965
Energy: 1.8162890295082745
Energy: 1.2052642151490698
Energy: 1.116439010651216
Energy: 1.2052642151422088
Energy: 1.1994472848863358
Energy: 1.2122753359076954
Energy: 1.1637313938470837
Energy: 1.2122753359069331
Energy: 1.2371751688457924
Energy: 1.3833045502855623
Energy: 1.818526449059275
Energy: 1.3833045502840375
Energy: 1.1732177741671506
Energy: 1.2764141691813742
Energy: 1.1718850938543972
Energy: 1.2764141691821367
Energy: 1.5246874149218843
Energy: 1.383841374027945
Energy: 1.3389343372449747
Energy: 1.383841374027945
Energy: 1.1683231363128632
Energy: 1.3003380780440745
Energy: 1.1776832722192807
Energy: 1.300338078045599
Energy: 1.3820594685752998
Energy: 1.3822943510481975
Energy: 1.523531347751259
Energy: 1.3822943510481975
Energy: 1.1779893971976534
Energy: 1.326282374195101
Energy: 1.1882445075728203
Energy: 1.3262823741966254
Energy: 1.2802614508924528
Energy: 1.3833799626733312
Energy: 1.2530151929645321
Energy: 1.3833799626740935
Energy: 1.203582589371913
Energy: 1.3954339318005178
Energy: 1.1683797637801625
Energy: 1.3954339318035673
Energy: 1.6518467014082217
Energy: 1.3728082491488443
Energy: 1.1442989567050166
Energy: 1.3728082491488443
Energy: 1.1634162634378868
Energy: 1.2155608184206874
Energy: 1.1974658738077777
Energy: 1.215560818419925
Energy: 1.1621538031289294
Energy: 1.1100970655734281
Energy: 1.25337529845612
Energy: 1.110097065574953
Energy: 1.235332755675826
Energy: 1.1297204441992128
Energy: 1.2257224652129475
Energy: 1.129720445193529
Energy: 1.635378937880565
Energy: 1.2746235326301276
Energy: 1.1665769511787685
Energy: 1.2746235326293653
Energy: 1.2043963002379485
Energy: 1.129551010733404
Energy: 1.1728897286099247
Energy: 1.1295510107341662
Energy: 1.1201411613077923
Energy: 1.3626746876682787
Energy: 1.8167719216307967
Energy: 1.3626746876682787
Energy: 1.1632698429080317
Energy: 1.2285170411226152
Energy: 1.2001551214842034
Energy: 1.2285170411058446
Energy: 1.8189479979912486
Energy: 1.383215682575468
Energy: 1.1476803396645527
Energy: 1.3832156825739435
Energy: 1.1674028759967048
Energy: 1.3760721967710579
Energy: 1.1780375891455317
Energy: 1.3760721967710579
Energy: 1.3354903444957378
Energy: 1.3887571662593567
Energy: 1.5225909732682268
Energy: 1.3887571662585942
Energy: 1.19795897341067
Energy: 1.4006010745476467
Energy: 1.1692347106880203
Energy: 1.4006010745476467
Energy: 1.5249767180926068
Energy: 1.3847309043209408
Energy: 1.369520749153317
Energy: 1.3847309043209408
Energy: 1.1903623577536604
Energy: 1.3689713381013653
Energy: 1.1776290306937853
Energy: 1.3689713380990782
Energy: 1.2532343261732535
Energy: 1.382545331192036
Energy: 1.2796417292334255
Energy: 1.3825453311935607
Energy: 1.2055781292551695
Energy: 1.399346002580855
Energy: 1.2034949491685742
Energy: 1.3993460025823794
Energy: 1.1435564912229694
Energy: 1.373104737707105
Energy: 1.6432498267942106
Energy: 1.3731047377078673
Energy: 1.19827981793554
Energy: 1.2156545771988527
Energy: 1.2122549813055763
Energy: 1.2156545772384924
Energy: 1.2474567961568934
Energy: 1.1134973122196543
Energy: 1.164083209715184
Energy: 1.1134973122265148

minimum gb energy = 1.1100970655734281 eV
minimum distance =  2.27932666624516 Angstroms
sigma value = 1


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

Energy: 2.223724995963711
Energy: 1.3382531551007764
Energy: 1.235035981521604
Energy: 1.4542094418365232
Energy: 1.3059919182457957
Energy: 1.5650291383277726
Energy: 1.3146160594261522
Energy: 1.5650291383286417
Energy: 1.1860399336037812
Energy: 1.186965863353459
Energy: 2.0371719943012403
Energy: 1.1869658633551974
Energy: 1.2938948438965956
Energy: 1.2887810013885186
Energy: 1.3145421614081052
Energy: 1.2887810013919951
Energy: 2.0395644090904654
Energy: 1.469376284264247
Energy: 1.185897473678369
Energy: 1.4693762842633777
Energy: 1.2732485777944238
Energy: 1.2642515913456873
Energy: 1.2375902718927982
Energy: 1.2642515913387342
Energy: 1.294854763435316
Energy: 1.4772953146343302
Energy: 1.681953501673731
Energy: 1.4772953146317227
Energy: 1.2555072580981703
Energy: 1.3303644578997404
Energy: 1.2337232626787504
Energy: 1.3303644579006095
Energy: 1.6824801944508694
Energy: 1.471110134891338
Energy: 1.413211686555157
Energy: 1.4711101348887305
Energy: 1.2441773565990768
Energy: 1.4155606402081116
Energy: 1.2586577712680445
Energy: 1.4155606402081116
Energy: 1.4991576629380223
Energy: 1.4805442284290804
Energy: 1.382852356012962
Energy: 1.4805442284299497
Energy: 1.2441361079201527
Energy: 1.490074355410018
Energy: 1.2821936547326025
Energy: 1.490074355410887
Energy: 1.1700527459802688
Energy: 1.4676751646962938
Energy: 1.5019518829267728
Energy: 1.467675164698901
Energy: 1.262593092939698
Energy: 1.3080999722680706
Energy: 1.284376130742048
Energy: 1.3080999722732856
Energy: 1.3305960701532655
Energy: 1.1478084063399612
Energy: 1.233596152262519
Energy: 1.1478084063399612
Energy: 1.3005204948876437
Energy: 1.1960761522193253
Energy: 1.314441608125005
Energy: 1.1960761522201946
Energy: 1.1885733718589757
Energy: 1.363913969979696
Energy: 1.724239206814836
Energy: 1.3639139699814344
Energy: 1.2424182683086642
Energy: 1.1942242887836043
Energy: 1.2512205224006174
Energy: 1.1942242887801275
Energy: 2.0394355028058
Energy: 1.469624473210268
Energy: 1.185183283878674
Energy: 1.4696244732137445
Energy: 1.273715993340332
Energy: 1.2883018785145013
Energy: 1.238201291923813
Energy: 1.2883018785145013
Energy: 1.23217886453228
Energy: 1.4732152941519414
Energy: 1.6825044311376403
Energy: 1.4732152941536798
Energy: 1.2607893006600521
Energy: 1.468336518358416
Energy: 1.2326328700745903
Energy: 1.4683365183592854
Energy: 1.6862608289407397
Energy: 1.4732512104975333
Energy: 1.2781976347051818
Energy: 1.4732512104966642
Energy: 1.2537599712271643
Energy: 1.4667604178341644
Energy: 1.291130612431535
Energy: 1.466760417831557
Energy: 1.4983747463819146
Energy: 1.4810473098134933
Energy: 1.3823824102867575
Energy: 1.481047309811755
Energy: 1.277405974081135
Energy: 1.483367893518524
Energy: 1.2817954409759325
Energy: 1.4833678935176549
Energy: 1.1683824577208042
Energy: 1.4678525435103527
Energy: 1.498656256585607
Energy: 1.4678525435103527
Energy: 1.2750609321981732
Energy: 1.2922037509420576
Energy: 1.2854862721005618
Energy: 1.2922037509429267
Energy: 1.3269840882740194
Energy: 1.1481843629412394
Energy: 1.2207977361357405
Energy: 1.1481843629421087

minimum gb energy = 1.1478084063399612 eV
minimum distance =  2.27149061882491 Angstroms
sigma value = 25


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

Energy: 2.1115725544878154
Energy: 1.2187850298795004
Energy: 1.3164026790613523
Energy: 1.5645854070050678
Energy: 1.3433230401060732
Energy: 1.6822839656129742
Energy: 1.3427968716801253
Energy: 1.6822839656129742
Energy: 1.2572913579232425
Energy: 1.2591072183550078
Energy: 1.8982402228094233
Energy: 1.2591072183539975
Energy: 1.3047642582111048
Energy: 1.3748101927492455
Energy: 1.4177256946787415
Energy: 1.374810192751266
Energy: 1.9026601630200524
Energy: 1.5772968754169958
Energy: 1.2680642189792521
Energy: 1.5772968754180063
Energy: 1.3583467819369264
Energy: 1.2721497991105868
Energy: 1.3264900206595815
Energy: 1.2721497991115969
Energy: 1.323288003990936
Energy: 1.5742401941632767
Energy: 1.5152652260673918
Energy: 1.5742401941632767
Energy: 1.3518362679118923
Energy: 1.4394461403380718
Energy: 1.3268824710953515
Energy: 1.4394461403370613
Energy: 1.3733205782084308
Energy: 1.5890740304108955
Energy: 1.370113971850497
Energy: 1.589074030411906
Energy: 1.358215480777481
Energy: 1.5894403370602157
Energy: 1.3680453627663691
Energy: 1.5894403370602157
Energy: 1.4060457384029657
Energy: 1.5773162698318275
Energy: 1.246507038495039
Energy: 1.5773162698318275
Energy: 1.3646567277080355
Energy: 1.3794360598549265
Energy: 1.342883548217729
Energy: 1.3794360598549265
Energy: 1.3159762342745336
Energy: 1.2091193784956156
Energy: 1.4096041193597977
Energy: 1.2091193784935952
Energy: 1.3451331587761832
Energy: 1.264953995227996
Energy: 1.361896339267331
Energy: 1.2649539952300166
Energy: 1.898896755070652
Energy: 1.4413143119970777
Energy: 1.258310294568678
Energy: 1.4413143119970777
Energy: 1.3413529982513144
Energy: 1.2650901699269412
Energy: 1.2382135663754974
Energy: 1.2650901699269412
Energy: 1.209996074554852
Energy: 1.5771419232053514
Energy: 1.8971590363268525
Energy: 1.5771419232033306
Energy: 1.2915561540142202
Energy: 1.3742225167058812
Energy: 1.3261352121936674
Energy: 1.3742225167058812
Energy: 1.515208895827754
Energy: 1.5754817800472267
Energy: 1.3242129745095983
Energy: 1.5754817800472267
Energy: 1.294448377350197
Energy: 1.6079102843197077
Energy: 1.3517474001923488
Energy: 1.6079102843186972
Energy: 1.3674755534780054
Energy: 1.5535215452033444
Energy: 1.5162776820479091
Energy: 1.553521545202334
Energy: 1.3702194276490205
Energy: 1.5722568623303799
Energy: 1.3744958699663081
Energy: 1.5722568623303799
Energy: 1.244998274476339
Energy: 1.5764945759982838
Energy: 1.4053813725973714
Energy: 1.5764945759982838
Energy: 1.3606533539335572
Energy: 1.574326110342123
Energy: 1.3657976530274685
Energy: 1.5743261103411126
Energy: 1.4098370834779028
Energy: 1.2078476024782412
Energy: 1.296813265463972
Energy: 1.2078476024792515

minimum gb energy = 1.2078476024782412 eV
minimum distance =  2.27211472949834 Angstroms
sigma value = 9


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

Energy: 1.9348306870253824
Energy: 1.291098727200225
Energy: 1.3423635927278155
Energy: 1.2121236664627981
Energy: 1.4331655051531855
Energy: 1.338016916852358
Energy: 1.4095550537712274
Energy: 1.3380169168535632
Energy: 1.3417241036923415
Energy: 1.3423859436375787
Energy: 2.218365886056965
Energy: 1.3423859436399894
Energy: 1.4589886859405827
Energy: 1.7087401935677335
Energy: 1.4798309725766314
Energy: 1.7087401935677335
Energy: 1.7058049606569476
Energy: 1.6790159548664396
Energy: 1.2905366326497458
Energy: 1.6790159548652341
Energy: 1.4136569100266054
Energy: 1.366298579296142
Energy: 1.2934319309796518
Energy: 1.3662985792997577
Energy: 1.369459068792806
Energy: 1.6916375614120562
Energy: 1.4335461729467396
Energy: 1.6916375614132617
Energy: 1.4466765213492345
Energy: 1.5596666876624765
Energy: 1.4473975932808136
Energy: 1.5596666876624765
Energy: 1.3393963233966457
Energy: 1.7032324059116652
Energy: 1.485950436696745
Energy: 1.7032324059140758
Energy: 1.436470037871678
Energy: 1.680712672379295
Energy: 1.4017439307906658
Energy: 1.680712672379295
Energy: 1.507313143068748
Energy: 1.2729374019263002
Energy: 1.2723307174381882
Energy: 1.2729374019311213
Energy: 1.4648307534592209
Energy: 1.2741584129821888
Energy: 1.409184282573977
Energy: 1.2741584129882153
Energy: 1.34154108763306
Energy: 1.5108682670334097
Energy: 1.4667379123387416
Energy: 1.5108682670334097
Energy: 1.3091882246172404
Energy: 1.3108526298708876
Energy: 1.379291878281693
Energy: 1.3108526298720928
Energy: 1.7063596787764717
Energy: 1.7069719985272649
Energy: 1.2921749718943754
Energy: 1.7069719985284701
Energy: 1.4123129532286267
Energy: 1.474596298405435
Energy: 1.2918818059476034
Energy: 1.47459629840664
Energy: 1.3667508845649674
Energy: 1.6820936074580457
Energy: 1.7080032687318858
Energy: 1.6820936074568404
Energy: 1.3670528061294989
Energy: 1.6685789297176976
Energy: 1.3869054597396289
Energy: 1.6685789297176976
Energy: 1.3381594836462625
Energy: 1.7068864189104542
Energy: 1.4860403875227095
Energy: 1.7068864189116595
Energy: 1.4317508435125845
Energy: 1.7100708044604036
Energy: 1.4759825549095618
Energy: 1.7100708044604036
Energy: 1.4882770466228314
Energy: 1.272621658166441
Energy: 1.308885047317188
Energy: 1.272621658166441

minimum gb energy = 1.2121236664627981 eV
minimum distance =  2.27758985227831 Angstroms
sigma value = 25


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

Energy: 1.687889349676774
Energy: 1.3816250166269552
Energy: 1.381957675588267
Energy: 1.2662851696695778
Energy: 1.6407165866827287
Energy: 1.3896157391965867
Energy: 1.5085460981081582
Energy: 1.389615739195096
Energy: 1.4427800626638598
Energy: 1.3816156465379268
Energy: 2.0129476730266656
Energy: 1.3816156465319644
Energy: 1.4898752228463104
Energy: 1.612805440374227
Energy: 1.5215426261136487
Energy: 1.612805440374227
Energy: 1.4555833404832366
Energy: 1.8112817520406461
Energy: 1.38413561173667
Energy: 1.8112817520406461
Energy: 1.5530514664048471
Energy: 1.5497064268187213
Energy: 1.3858966801729462
Energy: 1.5497064268187213
Energy: 1.5015486505416389
Energy: 1.5380698530765675
Energy: 1.3810284146189566
Energy: 1.5380698530765675
Energy: 1.4965930174502726
Energy: 1.4607609878631747
Energy: 1.5081564741092577
Energy: 1.4607609878631747
Energy: 1.3420672304414558
Energy: 1.3409751419314402
Energy: 1.5299404729378965
Energy: 1.3409751419299498
Energy: 1.490516481269317
Energy: 1.3400424003929632
Energy: 1.5390897304447082
Energy: 1.3400424003899822
Energy: 1.588017119071532
Energy: 1.6129520227055187
Energy: 1.535250802277177
Energy: 1.612952022707009
Energy: 1.6054961719510725
Energy: 1.3398861198801348
Energy: 1.3898228726945154
Energy: 1.3398861198682102
Energy: 1.3817783932217473
Energy: 1.8225784965926615
Energy: 1.4556895408498098
Energy: 1.8225784965926615
Energy: 1.3842705941891205
Energy: 1.5375267712669265
Energy: 1.5674715327130615
Energy: 1.5375267712669265
Energy: 1.4570760057510654
Energy: 1.5486482221062539
Energy: 1.496354886405215
Energy: 1.5486482221062539
Energy: 1.5133665548762105
Energy: 1.8650061913408038
Energy: 1.4982915718207686
Energy: 1.8650061913422946
Energy: 1.522867601667287
Energy: 1.3404872080987986
Energy: 1.3404141795336355
Energy: 1.3404872080987986

minimum gb energy = 1.2662851696695778 eV
minimum distance =  2.27904186176025 Angstroms
sigma value = 17


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

Energy: 2.2676974432295074
Energy: 1.5155739540405806
Energy: 1.578393706321663
Energy: 1.4372345120662964
Energy: 1.7263475623211537
Energy: 1.3991061090059722
Energy: 1.6378353720183334
Energy: 1.3991061090059722
Energy: 1.4066082497959094
Energy: 1.3662110264172147
Energy: 2.0677334028048135
Energy: 1.3662110264172147
Energy: 1.4248252819396738
Energy: 1.5980725427831357
Energy: 1.7109947172884548
Energy: 1.5980725427856683
Energy: 1.5349210072632071
Energy: 1.891105684863843
Energy: 1.4483372058512907
Energy: 1.8911056848646872
Energy: 1.6122863959757525
Energy: 1.7513530389596292
Energy: 1.5992206784450793
Energy: 1.7513530389613177
Energy: 1.749645658253463
Energy: 1.325551906285057
Energy: 1.3296685775788704
Energy: 1.3255519062867454
Energy: 1.5843597189387306
Energy: 1.3259291525568184
Energy: 1.5829754625315
Energy: 1.3259291525492205
Energy: 1.557762723939379
Energy: 1.678301267528281
Energy: 1.705658176417454
Energy: 1.6783012675274367
Energy: 1.4460043605942436
Energy: 1.5373911809660878
Energy: 1.623203362503833
Energy: 1.5373911809635552
Energy: 1.6029867363273993
Energy: 1.849211763382536
Energy: 1.4469399627561097
Energy: 1.8492117633816916
Energy: 1.687163843635698
Energy: 1.5227202821686343
Energy: 1.3756592564984254
Energy: 1.5227202821703227
Energy: 1.6096631353598243
Energy: 1.4946500949494923
Energy: 1.4122287463908902
Energy: 1.4946500949537136
Energy: 1.6115608004899669
Energy: 1.6299337603279833
Energy: 1.4653300491483046
Energy: 1.6299337603296717
Energy: 1.486891634551285
Energy: 1.4211355923477471
Energy: 1.7424593753698197
Energy: 1.4211355923452145
Energy: 1.5444594862435308
Energy: 1.424206635821922
Energy: 1.740137643155277
Energy: 1.424206635821922
Energy: 1.6792686233844023
Energy: 1.325140877384635
Energy: 1.5312724097264425
Energy: 1.325140877384635
Energy: 1.6835886335080568
Energy: 1.3250421258874028
Energy: 1.3660667495166117
Energy: 1.3250421258874028
Energy: 1.6104440001243308
Energy: 1.8372961272833843
Energy: 1.5369287969531897
Energy: 1.8372961272842283
Energy: 1.5263783308498746
Energy: 1.7989797760536477
Energy: 1.5334368901693682
Energy: 1.7989797760544919
Energy: 1.3259329896692724
Energy: 1.3255666715018086
Energy: 1.6796705898156803
Energy: 1.3255666715043413
Energy: 1.4623758652089884
Energy: 1.3851104133144403
Energy: 1.867441793198922
Energy: 1.3851104133144403
Energy: 1.628366144329991
Energy: 1.537291408364603
Energy: 1.6888511997949611
Energy: 1.5372914083654472
Energy: 1.6794236664643671
Energy: 1.493277848031761
Energy: 1.5343216989133281
Energy: 1.4932778480292281
Energy: 1.5807694783917385
Energy: 1.7944943533492677
Energy: 1.6559742307336913
Energy: 1.7944943533492677
Energy: 1.3760856058945676
Energy: 1.5065295719054042
Energy: 1.53346189838643
Energy: 1.5065295719079366
Energy: 1.5172725308467594
Energy: 1.4583454316369795
Energy: 1.6776129092801362
Energy: 1.4583454316378237
Energy: 1.3749622413336455
Energy: 1.616930244855954
Energy: 1.7536400011131494
Energy: 1.6169302448542655
Energy: 1.5133593815380855
Energy: 1.619711355554907
Energy: 1.5516468325685155
Energy: 1.6197113555557514
Energy: 1.7406121476829692
Energy: 1.4241378702296135
Energy: 1.558638960514442
Energy: 1.4241378702262368

minimum gb energy = 1.3250421258874028 eV
minimum distance =  2.26051805356374 Angstroms
sigma value = 53


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

Energy: 2.0626783078161943
Energy: 1.8235385798967214
Energy: 1.4441995142471133
Energy: 1.9930161603672347
Energy: 1.6518259652800242
Energy: 1.3556791711509573
Energy: 1.3802330862879424
Energy: 1.3556791711490137
Energy: 1.5668448017918009
Energy: 1.443759009681193
Energy: 1.6587555773926739
Energy: 1.4437590096792494
Energy: 1.5448640823020723
Energy: 1.3499233880677834
Energy: 1.5900976106945752
Energy: 1.3499233880677834
Energy: 1.5022620151237709
Energy: 1.6526369611728786
Energy: 1.2545383568398432
Energy: 1.6526369611767655
Energy: 1.5603969742358186
Energy: 1.3481635572731832
Energy: 1.2544459069896643
Energy: 1.3481635572712396
Energy: 1.726890921905
Energy: 1.35586893160934
Energy: 1.3564979692618513
Energy: 1.3558689316112833
Energy: 1.7255378094025022
Energy: 1.3557696829208772
Energy: 1.4147922475578332
Energy: 1.3557696829189338
Energy: 1.5696841035119278
Energy: 1.356804188364878
Energy: 1.6598954966936474
Energy: 1.3568041883668216
Energy: 1.4582373442608954
Energy: 1.355756420312718
Energy: 1.5303359716201101
Energy: 1.355756420312718
Energy: 1.671988996133929
Energy: 1.6519820942057657
Energy: 1.2544794289028898
Energy: 1.6519820942057657
Energy: 1.5592005506340516
Energy: 1.3471477861324825
Energy: 1.257004440713073
Energy: 1.3471477861324825
Energy: 1.7261405806006198
Energy: 1.3556000464227314
Energy: 1.3545559527987794
Energy: 1.3556000464227314

minimum gb energy = 1.2544459069896643 eV
minimum distance =  2.27457846557017 Angstroms
sigma value = 9


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

Energy: 2.144010274024697
Energy: 1.6727107621659743
Energy: 1.7130981830363858
Energy: 1.635646151084923
Energy: 1.5891155816911664
Energy: 2.0149198608270105
Energy: 1.7163912188073087
Energy: 2.0149198608298877
Energy: 1.3832269321766424
Energy: 1.3652770619506303
Energy: 1.9036608684576737
Energy: 1.3652770619513497
Energy: 1.4001070047645605
Energy: 1.3657329000048706
Energy: 1.886521833995018
Energy: 1.3657329000077476
Energy: 1.3668223394072627
Energy: 1.3658144868607134
Energy: 1.8121593258534778
Energy: 1.3658144868628714
Energy: 1.560789481955336
Energy: 2.0505187855781455
Energy: 1.7562236152459343
Energy: 2.050518785576707
Energy: 1.8928878117161265
Energy: 1.5658329010507535
Energy: 1.668047582740644
Energy: 1.565832901052192
Energy: 1.8711511052299523
Energy: 1.4876726587953841
Energy: 1.5376448717426674
Energy: 1.4876726587982614
Energy: 1.5304065480859956
Energy: 2.007929397829233
Energy: 1.6113091216641293
Energy: 2.0079293978299524
Energy: 1.4664297827141743
Energy: 1.6515434552880088
Energy: 1.597343686270416
Energy: 1.6515434552851316
Energy: 1.387728212339565
Energy: 1.3812853602106336
Energy: 1.8728419818348168
Energy: 1.3812853602113526
Energy: 1.5405984300039703
Energy: 1.761171854052141
Energy: 1.870094613129298
Energy: 1.761171854056457
Energy: 1.873474591373561
Energy: 1.6086510109740042
Energy: 1.6946402053428125
Energy: 1.6086510109747238
Energy: 1.9061421365827547
Energy: 1.3979730357722968
Energy: 1.4554477356738018
Energy: 1.3979730357722968
Energy: 1.727258282790225
Energy: 1.6941545402527867
Energy: 1.4825561771118587
Energy: 1.6941545402535063
Energy: 1.6559059957125093
Energy: 1.8045701556304643
Energy: 1.5478739716276555
Energy: 1.804570155631903
Energy: 1.554999530537833
Energy: 1.9408503640971606
Energy: 1.664276399678448
Energy: 1.9408503640950023
Energy: 1.6418643001550306
Energy: 1.5249976857947192
Energy: 1.9945273138649664
Energy: 1.5249976857975966
Energy: 1.7213309713603744
Energy: 1.7984788092492445
Energy: 1.7275850687666683
Energy: 1.7984788092499637
Energy: 1.8946829107493757
Energy: 1.4969974570949485
Energy: 1.4967314568538412
Energy: 1.4969974570985451
Energy: 1.8825340527139593
Energy: 1.500998218259394
Energy: 1.3911290434979915
Energy: 1.500998218259394
Energy: 1.7277783778965121
Energy: 1.3950507690819742
Energy: 1.404816459964202
Energy: 1.3950507690848515
Energy: 1.8070922793013673
Energy: 1.920968763987689
Energy: 1.504704022121181
Energy: 1.9209687639884085
Energy: 1.5738595842745655
Energy: 1.472881247902498
Energy: 1.904881862472045
Energy: 1.472881247901779
Energy: 1.5622233165440447
Energy: 1.4843728607065876
Energy: 1.8697827609830509
Energy: 1.4843728607015525
Energy: 1.5494692074422047
Energy: 1.9675333502057684
Energy: 1.5279095187685683
Energy: 1.9675333502093648
Energy: 1.6106063115090103
Energy: 1.7026454754660165
Energy: 1.4660255367742223
Energy: 1.7026454754660165
Energy: 1.8966123949932088
Energy: 1.3766921581400213
Energy: 1.3930140477245452
Energy: 1.3766921581393021
Energy: 1.8714219528369518
Energy: 1.6778832041182592
Energy: 1.5524680721404998
Energy: 1.6778832041189788
Energy: 1.7799108568323498
Energy: 1.7710952351998273
Energy: 1.8507690777254115
Energy: 1.7710952351804057
Energy: 1.4460372872568175
Energy: 1.3632080293583273
Energy: 1.824237083819776
Energy: 1.363208029356169
Energy: 1.4714424524309835
Energy: 1.6953385582225506
Energy: 1.7370342243677608
Energy: 1.6953385582290244
Energy: 1.5037665585145277
Energy: 1.6678204376830381
Energy: 1.655228602329163
Energy: 1.667820437682319
Energy: 1.5400177076860193
Energy: 1.9644544480277257
Energy: 1.5259216823880482
Energy: 1.9644544480291644
Energy: 2.1450444893756053
Energy: 1.507050681102701
Energy: 1.7004411350695268
Energy: 1.5070506811034203

minimum gb energy = 1.363208029356169 eV
minimum distance =  2.24462960451066 Angstroms
sigma value = 73


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

Energy: 1.9020073694799184
Energy: 1.5183959519111385
Energy: 1.6074332080048224
Energy: 2.046749977643452
Energy: 1.7723443416454685
Energy: 2.069589825925746
Energy: 1.7305989098723291
Energy: 2.069589825925746
Energy: 1.392243338695436
Energy: 1.3692427072856725
Energy: 1.6636132023270922
Energy: 1.3692427072856725
Energy: 1.390640043790684
Energy: 1.3677004124709786
Energy: 1.7843434901414366
Energy: 1.3677004124709786
Energy: 1.3690150271471837
Energy: 1.3702714218150391
Energy: 1.7121329687896838
Energy: 1.3702714218150391
Energy: 1.5040120207205434
Energy: 1.6914540020794837
Energy: 1.7135337385494738
Energy: 1.691454002080625
Energy: 1.8692858426866747
Energy: 1.407908345474362
Energy: 1.656359001084397
Energy: 1.4079083454755033
Energy: 1.7840677062086765
Energy: 1.4077302743466498
Energy: 1.4202927737824043
Energy: 1.4077302743466498
Energy: 1.5233467685608273
Energy: 2.0347625926345883
Energy: 1.5701575099990888
Energy: 2.0347625926345883
Energy: 1.4187804626879128
Energy: 1.5283337515104254
Energy: 1.470776004641739
Energy: 1.5283337515104254
Energy: 1.4207878231379003
Energy: 1.4073439666619394
Energy: 1.9903610901571536
Energy: 1.4073439666619394
Energy: 1.5646763653278466
Energy: 1.4012173722491443
Energy: 1.9110196383752314
Energy: 1.4012173722525678
Energy: 1.5314039066842813
Energy: 1.6968606902436931
Energy: 1.6318276142709964
Energy: 1.6968606902436931
Energy: 1.584968120384957
Energy: 1.3695045672179311
Energy: 1.3906869833349012
Energy: 1.3695045672167898
Energy: 1.782110472117195
Energy: 1.4240105604846574
Energy: 1.4293208962721509
Energy: 1.424010560483516
Energy: 1.7170141220220696
Energy: 1.3691185863867037
Energy: 1.3696796890678542
Energy: 1.3691185863867037
Energy: 1.5717217982893985
Energy: 2.0073728029591504
Energy: 1.62433317690223
Energy: 2.0073728029602917
Energy: 1.6539320539757874
Energy: 1.464856600549053
Energy: 2.344855937099656
Energy: 1.4648566005479118
Energy: 1.4415349110097897
Energy: 1.767916467219349
Energy: 1.7623311572288458
Energy: 1.767916467219349
Energy: 1.648700430241849
Energy: 1.768429126916845
Energy: 1.5221417662502295
Energy: 1.768429126916845
Energy: 1.709301827505065
Energy: 1.9712982321828751
Energy: 1.4203185316407514
Energy: 1.9712982321828751
Energy: 1.7423115609543487
Energy: 1.4074516817292444
Energy: 1.4013936808045997
Energy: 1.407451681728103

minimum gb energy = 1.3677004124709786 eV
minimum distance =  2.25818727193662 Angstroms
sigma value = 7


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

Energy: 2.4592260054326607
Energy: 1.6696727198049581
Energy: 1.6816721551872629
Energy: 1.5807650426499233
Energy: 1.6329905451198439
Energy: 1.997113943698875
Energy: 1.6412388497390094
Energy: 1.997113943698875
Energy: 1.4936290184692587
Energy: 1.648297849683097
Energy: 1.6334911792747377
Energy: 1.6482978496839038
Energy: 1.4450282319470678
Energy: 1.4254270745335145
Energy: 1.8799502710522322
Energy: 1.4254270745327073
Energy: 1.3624139994247375
Energy: 1.359892411776565
Energy: 1.6945652990800337
Energy: 1.359892411774951
Energy: 1.69194268489734
Energy: 1.6566808895466743
Energy: 1.6937038286282373
Energy: 1.6566808895458671
Energy: 1.7523579418315978
Energy: 1.3632037002013204
Energy: 1.840141110019258
Energy: 1.3632037002005133
Energy: 1.7766125734346414
Energy: 1.3596500140537662
Energy: 1.3584754349936163
Energy: 1.3596500140537662
Energy: 1.6626897419404045
Energy: 1.974157713630214
Energy: 1.421304581362025
Energy: 1.9741577136318278
Energy: 1.793286551008859
Energy: 1.719793093829626
Energy: 1.4785993723984323
Energy: 1.7197930938312398
Energy: 1.595338096144561
Energy: 1.4139278485622568
Energy: 1.773306520430418
Energy: 1.4139278485630635
Energy: 1.5393415061234164
Energy: 1.4137049158955521
Energy: 1.865406233024881
Energy: 1.4137049158979733
Energy: 1.5272846836550862
Energy: 1.6714873387004727
Energy: 1.6723100148398746
Energy: 1.6714873387061215
Energy: 1.6025484566373103
Energy: 1.9056602359098285
Energy: 1.4755605992576746
Energy: 1.9056602359114423
Energy: 1.6072845002860983
Energy: 1.8950154874680416
Energy: 1.4727160009552411
Energy: 1.8950154874688487
Energy: 1.8780213301728705
Energy: 1.4144870674017866
Energy: 1.6553062539312615
Energy: 1.4144870674009795
Energy: 1.8704176798725447
Energy: 1.4158386022183331
Energy: 1.6356024401444467
Energy: 1.4158386022207539
Energy: 1.5116601047958034
Energy: 1.649353504748772
Energy: 1.6305702059677505
Energy: 1.649353504750386
Energy: 1.4246429142925812
Energy: 1.6820916707519535
Energy: 1.646369821425349
Energy: 1.6820916707503393
Energy: 1.3581365442566038
Energy: 1.3597746298339233
Energy: 1.7745170473710334
Energy: 1.3597746298161695
Energy: 1.5927623311069163
Energy: 1.6572876044852847
Energy: 1.6943771949558135
Energy: 1.6572876044852847
Energy: 1.79680034908111
Energy: 1.6454385926062
Energy: 1.7338593910343738
Energy: 1.6454385926062
Energy: 1.8357835691610003
Energy: 1.3599067467164057
Energy: 1.3599930755130862
Energy: 1.3599067467204407
Energy: 1.722611686985711
Energy: 1.4305714130895728
Energy: 1.463836154659198
Energy: 1.4305714134138363
Energy: 1.690437927147932
Energy: 1.7485483248794476
Energy: 1.4703630847397366
Energy: 1.7485483248826754
Energy: 1.5189584339485576
Energy: 1.9701211118090125
Energy: 1.5863156767145181
Energy: 1.9701211118082054
Energy: 1.6862604122591016
Energy: 1.6685902341224925
Energy: 2.132014019694654
Energy: 1.6685902341241066
Energy: 1.4334658790627044
Energy: 1.9330234776070851
Energy: 1.6025065218535581
Energy: 1.9330234776086992
Energy: 1.5822022346369584
Energy: 2.001536133303739
Energy: 1.5167535041435105
Energy: 2.0015361333029316
Energy: 1.5729442719286506
Energy: 1.7749994779013647
Energy: 1.5049267359373601
Energy: 1.7749994779029787
Energy: 1.9776449719402414
Energy: 1.4119834986462136
Energy: 1.4232097426410075
Energy: 1.4119834986526696

minimum gb energy = 1.3581365442566038 eV
minimum distance =  2.24762917009001 Angstroms
sigma value = 29


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

Energy: 1.411941223703425
Energy: 1.8002460112545509
Energy: 1.5210975694890854
Energy: 1.93441789133083
Energy: 1.4810839695389144
Energy: 1.609941043985487
Energy: 1.2688436616935561
Energy: 1.609941043985206
Energy: 1.4261245924680743
Energy: 1.6272618868242075
Energy: 1.3464484819003648
Energy: 1.6272618868242075
Energy: 1.3291423453162665
Energy: 1.6099327704370652
Energy: 1.2507650137832633
Energy: 1.6099327704370652
Energy: 1.3421520732037386
Energy: 1.6268732186570398
Energy: 1.4132563410930614
Energy: 1.6268732186573207
Energy: 1.2498197093123005
Energy: 1.3464691003158802
Energy: 1.4132554493340166
Energy: 1.346469100315599
Energy: 1.3465441308332111
Energy: 1.627106461750832
Energy: 1.4270440891141705
Energy: 1.6271064617513944
Energy: 1.2691915168982495
Energy: 1.6098388669371289
Energy: 1.2257517348685418
Energy: 1.6098388669363168
Energy: 1.2233012354885326
Energy: 1.9366971827602282
Energy: 1.3392502386065608
Energy: 1.936697182759947

minimum gb energy = 1.2233012354885326 eV
minimum distance =  2.293222034071 Angstroms
sigma value = 5


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

Energy: 1.945590763032261
Energy: 1.8596083046808929
Energy: 1.506995562796915
Energy: 2.0065736800429144
Energy: 1.6681529841085383
Energy: 1.5900761001687833
Energy: 1.529724614919941
Energy: 1.5900761001665655
Energy: 1.5693285580719374
Energy: 1.9756082652522493
Energy: 1.606551853273462
Energy: 1.975608265251487
Energy: 1.3932391167356153
Energy: 1.726302911341245
Energy: 1.644827927008668
Energy: 1.7263029113404826
Energy: 1.5518372364390072
Energy: 1.2803999020320935
Energy: 2.0681683983806685
Energy: 1.280399902030569
Energy: 1.2884013981511386
Energy: 1.2736610056883566
Energy: 2.074209408401552
Energy: 1.2736610056860695
Energy: 1.3265682827783167
Energy: 1.3316422660443696
Energy: 1.6443372017033118
Energy: 1.3316422660443696
Energy: 1.3434233400036046
Energy: 1.9197068643104072
Energy: 1.9166594506591936
Energy: 1.9197068643104072
Energy: 1.5477265597718075
Energy: 1.8690736088817395
Energy: 1.740338877396141
Energy: 1.8690736088809774
Energy: 1.672740564244059
Energy: 1.9990288880092768
Energy: 1.293428428557967
Energy: 1.9990288880077522
Energy: 1.5437572303352303
Energy: 1.2889872193823717
Energy: 1.301370864417241
Energy: 1.28898721937856
Energy: 1.7768931092617992
Energy: 1.259152123665129
Energy: 1.2629365719614971
Energy: 1.2591521236674161
Energy: 1.9216448277284721
Energy: 1.6064811159200818
Energy: 1.6632403083421874
Energy: 1.6064811159216068
Energy: 1.5886688844675623
Energy: 1.9954247123997262
Energy: 1.598310613153812
Energy: 1.9954247123982012
Energy: 1.3277623001878036
Energy: 1.32595200033543
Energy: 1.593529008453948
Energy: 1.32595200033543
Energy: 1.3133172075961588
Energy: 1.2728050653681098
Energy: 1.6498460177861825
Energy: 1.2728050654633973
Energy: 1.2904790275009934
Energy: 1.3003779445606802
Energy: 2.520094406722029
Energy: 1.3003779475186115
Energy: 1.5082906265032996
Energy: 1.2717282928817732
Energy: 1.5511746139167817
Energy: 1.2717282928832978
Energy: 1.6606274463624107
Energy: 1.9492357397752473
Energy: 1.5681832356228567
Energy: 1.949235739774485
Energy: 1.5932357961780081
Energy: 2.0186281479637844
Energy: 1.3947773175621991
Energy: 2.01862814796226
Energy: 2.0663143249527613
Energy: 1.2730351947588314
Energy: 1.5336602709619764
Energy: 1.2730351947565446
Energy: 2.1230671427870598
Energy: 1.2672374302852443
Energy: 1.2911634847267135
Energy: 1.2672374302905804
Energy: 1.6468375905459018
Energy: 1.3328418022850934
Energy: 1.3611007562192763
Energy: 1.3328418022850934
Energy: 1.8201784770604088
Energy: 1.656688922879946
Energy: 1.3319013603549539
Energy: 1.6566889228814705
Energy: 1.7405516437571007
Energy: 1.8740234310500672
Energy: 1.546660520289081
Energy: 1.8740234310485429
Energy: 1.2798624955896891
Energy: 2.036968349909998
Energy: 1.6725174673452279
Energy: 2.0369683499084736
Energy: 1.3038319357676142
Energy: 1.263964345607218
Energy: 1.5482324866206922
Energy: 1.2639643456102672
Energy: 1.2544683742678135
Energy: 1.265823923220712
Energy: 1.6119180122433143
Energy: 1.2658239232169006
Energy: 1.652197707075481
Energy: 1.6067959442824
Energy: 1.9304426511301789
Energy: 1.6067959442816377
Energy: 1.5922455816841892
Energy: 1.9956849221516504
Energy: 1.541700447272594
Energy: 1.9956849221531747
Energy: 1.610920845935742
Energy: 1.5840104528393062
Energy: 1.3288855912749429
Energy: 1.5840104528431174
Energy: 1.646362658930792
Energy: 1.3357452554503102
Energy: 1.3173815656713799
Energy: 1.3357452554487854
Energy: 2.108227797903304
Energy: 1.2901406481157411
Energy: 1.2881177226900322
Energy: 1.2901406481279383

minimum gb energy = 1.2544683742678135 eV
minimum distance =  2.25955267819955 Angstroms
sigma value = 1


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

Energy: 2.078134313475735
Energy: 1.8790202618416536
Energy: 1.47405847012443
Energy: 2.0443323387270333
Energy: 1.6455859437641214
Energy: 1.6119152256173481
Energy: 1.5269079137576729
Energy: 1.6119152256194562
Energy: 1.5407231359551656
Energy: 1.4162597571162276
Energy: 1.6052820898054176
Energy: 1.4162597571151738
Energy: 1.3124128429510846
Energy: 1.8871643728785876
Energy: 1.7488046439824285
Energy: 1.8871643728785876
Energy: 1.566802008982852
Energy: 1.2245705847806256
Energy: 2.1999440775652124
Energy: 1.2245705847816795
Energy: 1.2514301522531892
Energy: 1.2423733819784633
Energy: 2.2003699690461023
Energy: 1.2423733819784633
Energy: 1.2425854750838694
Energy: 1.510441059273892
Energy: 1.7510510070757017
Energy: 1.5104410592749458
Energy: 1.2443092460302458
Energy: 1.2244309855126876
Energy: 2.044592696991063
Energy: 1.2244309860636935
Energy: 1.7187907542873526
Energy: 1.6364182986926483
Energy: 1.8427007693170467
Energy: 1.6364182986937024
Energy: 1.7026576849496635
Energy: 2.0238211646793656
Energy: 1.262665352545081
Energy: 2.0238211646772575
Energy: 1.6871829025282965
Energy: 1.545877475157852
Energy: 1.2737032886409727
Energy: 1.5458774751104696
Energy: 1.884315542300075
Energy: 1.2405091665159425
Energy: 1.2385164487307159
Energy: 1.2405091665159425
Energy: 2.042358158428722
Energy: 1.2244886463245703
Energy: 1.491183141608241
Energy: 1.2244886463235163
Energy: 1.6854044423600176
Energy: 1.6530663958264664
Energy: 1.5922431382829765
Energy: 1.6530663958327905
Energy: 1.3170533830143705
Energy: 1.673632616877604
Energy: 1.5923053869785218
Energy: 1.673632616880766
Energy: 1.2935860799761607
Energy: 1.6448233924623743
Energy: 1.7551919313757798
Energy: 1.6448233924655364
Energy: 1.4984928452582624
Energy: 1.6196496746760514
Energy: 2.281143822059561
Energy: 1.6196496746760514
Energy: 1.2453161419142835
Energy: 1.2351368004147696
Energy: 1.7509737263242022
Energy: 1.2351368004158234
Energy: 1.242687296531854
Energy: 1.4927751764784811
Energy: 1.8272858701413726
Energy: 1.4927751764795352
Energy: 1.281980144636706
Energy: 1.9471556523176239
Energy: 2.044727243247874
Energy: 1.9471556523155158
Energy: 1.5905155256019803
Energy: 1.6586860888433441
Energy: 1.6882285662355008
Energy: 1.6586860888465063
Energy: 1.6786619106564622
Energy: 1.5948988070953762
Energy: 1.2644865545816024
Energy: 1.5948988070964305
Energy: 1.6855970651336971
Energy: 1.2812364587941916
Energy: 1.294763613522043
Energy: 1.2812364587952456
Energy: 2.042460664327649
Energy: 1.2449680866846393
Energy: 1.2432619859234317
Energy: 1.2449680866835855

minimum gb energy = 1.2244309855126876 eV
minimum distance =  2.25709365520193 Angstroms
sigma value = 17


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

Energy: 2.2244159078615784
Energy: 1.8378577063172041
Energy: 1.6563857822689905
Energy: 1.979434360508565
Energy: 1.7889869138889691
Energy: 1.508850039139433
Energy: 1.435097381057349
Energy: 1.5088500391381303
Energy: 1.6545532639165914
Energy: 1.8003694794287575
Energy: 1.4995739748762833
Energy: 1.800369479429409
Energy: 1.7250573136889977
Energy: 1.9696136435217388
Energy: 1.5850757760621443
Energy: 1.969613643520436
Energy: 1.7540922491293733
Energy: 1.7878794393381414
Energy: 1.8622773607438952
Energy: 1.7878794393342325
Energy: 1.2241046351010203
Energy: 1.2200015617049118
Energy: 2.1360790694448
Energy: 1.2200015617049118
Energy: 1.2439560662724862
Energy: 1.420043300208713
Energy: 1.7554064075574778
Energy: 1.4200433002041528
Energy: 1.2372278656792262
Energy: 1.2154087296213878
Energy: 2.1799812979247606
Energy: 1.2154087296161762
Energy: 1.7139113496660858
Energy: 1.6333847924031475
Energy: 1.7646302313743312
Energy: 1.6333847924024958
Energy: 1.5223615887782647
Energy: 1.9876589771037874
Energy: 1.4548443654721115
Energy: 1.9876589771044388
Energy: 1.774800179027507
Energy: 1.7791395016444747
Energy: 1.289320435563548
Energy: 1.7791395016457778
Energy: 2.2183526245714362
Energy: 1.2318505389878402
Energy: 1.423806146380619
Energy: 1.231850538990446
Energy: 2.2867347371609874
Energy: 1.2265239586329895
Energy: 1.2574760041850372
Energy: 1.2265239586401555
Energy: 1.9098653163817205
Energy: 1.4165280554477346
Energy: 1.2699742314059559
Energy: 1.4165280554464317
Energy: 1.736898013175802
Energy: 1.2482753635876374
Energy: 1.2669656938550349
Energy: 1.2482753636000152
Energy: 1.9507621568243907
Energy: 1.9732883453317824
Energy: 1.8218530071348222
Energy: 1.973288345332434
Energy: 1.266638576145385
Energy: 2.0831460001331124
Energy: 1.9698650325410685
Energy: 2.083146000133764
Energy: 1.2362703950257776
Energy: 1.2516469893122066
Energy: 1.8538671598044212
Energy: 1.2516469893141609
Energy: 1.2566932265220032
Energy: 1.239438375631524
Energy: 1.7701576550871712
Energy: 1.2394383756295695
Energy: 1.2501288917202311
Energy: 1.232991291525599
Energy: 2.2279425731223075
Energy: 1.2329912913446117
Energy: 1.4341684407373991
Energy: 1.5048284913440497
Energy: 1.8127305992191336
Energy: 1.5048284837110166
Energy: 1.4641491779737585
Energy: 1.614095554160717
Energy: 1.6479249887685348
Energy: 1.6140955541587627
Energy: 1.7715326720026587
Energy: 1.8840134280193435
Energy: 1.6482895859506468
Energy: 1.8840134280180403
Energy: 1.9588405349538853
Energy: 1.5502430114828656
Energy: 1.768500596731787
Energy: 1.5502430114841685
Energy: 1.8593077018978084
Energy: 1.2294931912081055
Energy: 1.2210271083350148
Energy: 1.2294931912081055
Energy: 1.7586078830507212
Energy: 1.4346753599196715
Energy: 1.242130567147762
Energy: 1.4346753593147026
Energy: 2.2283457387741326
Energy: 1.5251756763942401
Energy: 1.2219893906202612
Energy: 1.525175676398149
Energy: 1.760542171928382
Energy: 1.8544909097428104
Energy: 1.717072197248263
Energy: 1.8544909097415074
Energy: 1.453556676131609
Energy: 2.009376984237646
Energy: 1.508042657203757
Energy: 2.0093769842369946
Energy: 1.273422314800624
Energy: 1.7414402550815615
Energy: 1.7751456689075726
Energy: 1.74144025508091
Energy: 1.4430770125919274
Energy: 1.2352177281051648
Energy: 2.225324607516886
Energy: 1.2352177281045131
Energy: 1.2426489800557974
Energy: 1.2261812540422532
Energy: 2.2786097346409453
Energy: 1.22618125404095
Energy: 1.262677355329811
Energy: 1.3964895198696463
Energy: 1.8506802073947735
Energy: 1.3964895198696463
Energy: 1.2715438355836541
Energy: 1.9691988756976286
Energy: 1.7373745833754177
Energy: 1.969198875696326
Energy: 1.8262748922547343
Energy: 1.613910852614321
Energy: 1.9095244744884636
Energy: 1.613910852614321
Energy: 1.9835946071973058
Energy: 2.0584049713724193
Energy: 1.2713614646560065
Energy: 2.0584049713646024
Energy: 1.8105713471229805
Energy: 1.2488772762528082
Energy: 1.258296441837378
Energy: 1.2488772762482485
Energy: 2.0387945069913163
Energy: 1.231761699128556
Energy: 1.2281793927782845
Energy: 1.2317616991259501

minimum gb energy = 1.2154087296161762 eV
minimum distance =  2.25312883729336 Angstroms
sigma value = 89


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

Energy: 2.3893087972997344
Energy: 1.865744000406056
Energy: 1.4127877019420083
Energy: 2.062985897761822
Energy: 1.927349553162241
Energy: 1.5828102140127656
Energy: 1.532245951301914
Energy: 1.5828102140246976
Energy: 1.1710771919765128
Energy: 1.6343082967590452
Energy: 1.7172014377385314
Energy: 1.6343082967590452
Energy: 1.1571495260449693
Energy: 1.6450452437190102
Energy: 1.5314823594667917
Energy: 1.6450452437190102
Energy: 1.5716352999360885
Energy: 1.6119722546981803
Energy: 1.7367653944646428
Energy: 1.6119722546981803
Energy: 1.1365663799090915
Energy: 1.1261654063539048
Energy: 1.7374989814755089
Energy: 1.1261654063522004
Energy: 1.1454964245712715
Energy: 1.1418591572222805
Energy: 1.9266366417266216
Energy: 1.1418591572239851
Energy: 1.1557364365290779
Energy: 1.587874293616275
Energy: 2.3107995701557904
Energy: 1.5878742936145707
Energy: 1.528732217848237
Energy: 1.2298437639133741
Energy: 1.9197608465397007
Energy: 1.2298437574099965
Energy: 1.7165066477835849
Energy: 1.5802357361783874
Energy: 1.6038510695576094
Energy: 1.5802357361783874
Energy: 1.529727407470848
Energy: 1.2602059113001949
Energy: 1.1528845945003314
Energy: 1.2602059113018995
Energy: 1.7386370449287
Energy: 1.6312945514391517
Energy: 1.5677338125660447
Energy: 1.6312945514408563
Energy: 1.7295871816938801
Energy: 1.1249924243674485
Energy: 1.134590984105007
Energy: 1.124992424365744
Energy: 1.9239031721998705
Energy: 1.1143425994234664
Energy: 1.1432820056126578
Energy: 1.1143425994251708
Energy: 1.9196719656629702
Energy: 1.5849658523281471
Energy: 1.1551743402392065
Energy: 1.5849658523298515

minimum gb energy = 1.1143425994234664 eV
minimum distance =  2.18618696930174 Angstroms
sigma value = 13


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

Energy: 2.092467590902572
Energy: 1.7644768511688191
Energy: 1.3736290986693955
Energy: 1.8774101587384524
Energy: 2.1142581284181556
Energy: 1.3094181980915185
Energy: 1.2975455361537067
Energy: 1.3094181980993773
Energy: 1.8608504834251614
Energy: 1.320680289556293
Energy: 1.3208338686022478
Energy: 1.320680289556293
Energy: 1.567911047315401
Energy: 1.8744430378010535
Energy: 1.4803784560252593
Energy: 1.8744430378010535
Energy: 1.9829717512789096
Energy: 1.8939959416155825
Energy: 1.7230080477757108
Energy: 1.8939959416141534
Energy: 1.299539929846017
Energy: 1.345719490549117
Energy: 1.7177833834489253
Energy: 1.3457194905526892
Energy: 1.3004976346777282
Energy: 1.3419398311955202
Energy: 2.1270146974520907
Energy: 1.3419398311312856
Energy: 1.3239663557229433
Energy: 1.3513469371393838
Energy: 2.1815452496625736
Energy: 1.3513469371408127
Energy: 1.0819768761339357
Energy: 1.0801343954380052
Energy: 2.1156997267327626
Energy: 1.0801343954322897
Energy: 1.0723327456913927
Energy: 1.0781291743649812
Energy: 2.116447928710531
Energy: 1.0781291743635524
Energy: 1.116851273956298
Energy: 1.9660132694046004
Energy: 2.0924236979231496
Energy: 1.966013269402457
Energy: 1.6323347542118847
Energy: 1.499623507982595
Energy: 2.1316555946522175
Energy: 1.499623507981881
Energy: 1.7295281908655609
Energy: 1.7303752165425625
Energy: 1.6390698627638705
Energy: 1.730375216541848
Energy: 1.6327347241863153
Energy: 1.7204238168082262
Energy: 1.563838415456357
Energy: 1.7204238168082262
Energy: 2.1274628000799605
Energy: 1.7764403768803796
Energy: 1.6314025358943811
Energy: 1.7764403768796653
Energy: 2.038082698890212
Energy: 1.0825409464935345
Energy: 1.0805309769043683
Energy: 1.0825409464963924
Energy: 2.122642795257127
Energy: 1.0655938797791376
Energy: 1.075482082431591
Energy: 1.065593879781995
Energy: 2.072328490834992
Energy: 1.354905598504164
Energy: 1.098303715334179
Energy: 1.3549055984977343
Energy: 2.213921005463281
Energy: 1.083566608592047
Energy: 1.283401808187509
Energy: 1.083566608594905
Energy: 2.031790464515167
Energy: 1.3199298144662623
Energy: 1.3147801406556572
Energy: 1.3199298144676914
Energy: 1.578342128472037
Energy: 1.9928914752658686
Energy: 1.309499900511332
Energy: 1.992891475263011
Energy: 1.956720179267343
Energy: 1.76633398692346
Energy: 1.7211879243566441
Energy: 1.7663339869241743
Energy: 1.3006997830050038
Energy: 1.4867432110773888
Energy: 1.8005591973520685
Energy: 1.4867432110781031
Energy: 1.0600115683624458
Energy: 1.6136917020830337
Energy: 1.9571108487399813
Energy: 1.6136917020830337
Energy: 1.3177262780763552
Energy: 1.3601321913298632
Energy: 2.1279068428159156
Energy: 1.3601321913305775
Energy: 1.0864125032742606
Energy: 1.079666651079031
Energy: 2.1235544434512015
Energy: 1.0796666510804598
Energy: 1.0770436387501892
Energy: 1.4318085023332152
Energy: 2.1121993444656866
Energy: 1.4318085023325005
Energy: 1.0979973585931406
Energy: 1.3406163460497424
Energy: 2.0352819707201566
Energy: 1.3406163460554579
Energy: 1.627219986786735
Energy: 1.7798786645149856
Energy: 2.1385082143238416
Energy: 1.7798786645164144
Energy: 1.3267824174550946
Energy: 1.702854003735679
Energy: 1.644507468348605
Energy: 1.702854003732821
Energy: 1.699648961524426
Energy: 1.7075818565698024
Energy: 1.5863419314952192
Energy: 1.7075818565662302
Energy: 2.050666651094485
Energy: 1.7966354817198251
Energy: 1.6223023633661917
Energy: 1.7966354817191108
Energy: 2.1350161336256006
Energy: 1.071278166469482
Energy: 1.085901611176521
Energy: 1.071278166474483
Energy: 2.117763295834357
Energy: 1.0645508861286268
Energy: 1.066008381674339
Energy: 1.0645508861300559
Energy: 2.3107986037872603
Energy: 1.0809084270272196
Energy: 1.0894099715916243
Energy: 1.0809084270336495

minimum gb energy = 1.0600115683624458 eV
minimum distance =  2.2481009615065 Angstroms
sigma value = 37


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

Energy: 2.048369824061919
Energy: 1.7952076576139129
Energy: 1.3272328221246859
Energy: 1.8857246407648853
Energy: 2.2476245220656246
Energy: 1.352891783413396
Energy: 1.3310272676143604
Energy: 1.352891783412167
Energy: 1.7747309916877654
Energy: 1.3595348225005695
Energy: 1.3987018542607554
Energy: 1.359534822504257
Energy: 1.9936666332689459
Energy: 1.73445787907171
Energy: 1.522072984984703
Energy: 1.73445787907171
Energy: 1.6766031885325456
Energy: 1.7601596149061152
Energy: 1.5891270152222885
Energy: 1.7601596149061152
Energy: 1.1798608951198903
Energy: 1.2766507297684113
Energy: 1.9787115066187875
Energy: 1.2766507297684113
Energy: 1.181386633382529
Energy: 1.2555153654361477
Energy: 2.069085226529376
Energy: 1.2555153654361477
Energy: 1.4437610511275336
Energy: 1.296914230581417
Energy: 2.146595196911009
Energy: 1.296914230581417
Energy: 1.1904434217071567
Energy: 1.1990532635616689
Energy: 2.0669706885399064
Energy: 1.1990532635628979
Energy: 1.1416845381200542
Energy: 1.1719823960863587
Energy: 2.2175764640614624
Energy: 1.1719823915834564
Energy: 1.1635141584324944
Energy: 1.963590219074342
Energy: 1.827010044904185
Energy: 1.9635902190755712
Energy: 1.470432316704921
Energy: 1.5242052028550803
Energy: 2.2260194987529336
Energy: 1.5242052028550803
Energy: 1.605525218519674
Energy: 1.5385090431243764
Energy: 1.7749574798067
Energy: 1.5385090431231474
Energy: 1.7523678855587728
Energy: 1.6536447730367339
Energy: 1.9934774082759077
Energy: 1.6536447730355046
Energy: 1.5891270152222885
Energy: 1.651993745331534
Energy: 1.7728498444777898
Energy: 1.651993745331534
Energy: 1.8084887102106415
Energy: 1.313145133905771
Energy: 1.1798887416573962
Energy: 1.313145133905771
Energy: 1.962680476681292
Energy: 1.3779800565317673
Energy: 1.181392583481953
Energy: 1.3779800565317673
Energy: 2.14659519690978
Energy: 1.4025570437513972
Energy: 1.223844258054103
Energy: 1.4025570437501682
Energy: 2.0669706885399064
Energy: 1.0066860951830972
Energy: 0.9822748371437883
Energy: 1.0066860951818681
Energy: 2.22162873037477
Energy: 0.9853933414703508
Energy: 1.0026830848346746
Energy: 0.9853933414703508

minimum gb energy = 0.9822748371437883 eV
minimum distance =  2.27707018988751 Angstroms
sigma value = 25


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

Energy: 2.188419697357258
Energy: 1.660645395795077
Energy: 1.1931443744349746
Energy: 1.81698601449909
Energy: 2.388252591122492
Energy: 1.145990767973432
Energy: 1.1546559088896604
Energy: 1.1459907679494363
Energy: 1.895916357451727
Energy: 1.1983322456960939
Energy: 1.1657957907049674
Energy: 1.198332245662544
Energy: 1.4712509102475946
Energy: 1.5735100287632036
Energy: 1.5430820704487405
Energy: 1.5735100287641632
Energy: 1.950518975418748
Energy: 1.5186291827761602
Energy: 1.6589624336663245
Energy: 1.5186291827771203
Energy: 1.441489050170581
Energy: 1.5948978244973988
Energy: 1.6510709695889043
Energy: 1.5948978244973988
Energy: 1.4729821204883415
Energy: 1.531710364262318
Energy: 2.1604996254778195
Energy: 1.5317103642613583
Energy: 1.1262372023466294
Energy: 1.5732322126672744
Energy: 1.7745039639752664
Energy: 1.5732322126672744
Energy: 1.131073396612162
Energy: 1.225407362669239
Energy: 2.165560343195054
Energy: 1.225407362668279
Energy: 1.131311317538961
Energy: 1.1452556181779119
Energy: 2.3785671724444026
Energy: 1.1452556181769522
Energy: 1.208837425382768
Energy: 1.6383433551075768
Energy: 1.8462365193697976
Energy: 1.6383433551085367
Energy: 0.8470327238808437
Energy: 0.8387153221500433
Energy: 2.3792651146628763
Energy: 0.8387153221481237
Energy: 0.8791309930917274
Energy: 0.8763068703656622
Energy: 2.37930472655796
Energy: 0.8763068703647025
Energy: 0.9161289847509898
Energy: 1.2337929655645283
Energy: 2.076701414283942
Energy: 1.233792965565488
Energy: 1.1636281285200256
Energy: 1.1443469153465877
Energy: 2.139853353512653
Energy: 1.1443469153408286
Energy: 1.1680506012037892
Energy: 1.2429656091574088
Energy: 1.8989998771371968
Energy: 1.242965609156449
Energy: 1.7102991850809683
Energy: 1.5942150877723313
Energy: 1.9053855342979384
Energy: 1.5942150877713717
Energy: 1.1613399446807016
Energy: 1.5699999010975934
Energy: 1.6565498425990526
Energy: 1.5699999010995132
Energy: 1.6500416318803213
Energy: 1.5689606546972
Energy: 1.4743773435583767
Energy: 1.56896065469624
Energy: 2.1655951582343467
Energy: 1.53260552503764
Energy: 1.4416944650084618
Energy: 1.53260552503764
Energy: 1.8473898767896282
Energy: 1.7899452213912435
Energy: 1.1318338093701878
Energy: 1.7899452213893237
Energy: 2.1620288462362947
Energy: 1.2205366265407867
Energy: 0.8507061380119498
Energy: 1.2205366265407867
Energy: 2.134503569101984
Energy: 1.2247552728895739
Energy: 1.132972651757988
Energy: 1.2247552728914937
Energy: 1.7754357150532727
Energy: 1.2320581957439174
Energy: 0.9001858419989925
Energy: 1.2320581957439174
Energy: 2.373653514976289
Energy: 0.8389106418098305
Energy: 0.8445416215385588
Energy: 0.8389106418107903
Energy: 1.992891477395534
Energy: 0.8783677071800792
Energy: 0.8849708179300649
Energy: 0.878367707181039

minimum gb energy = 0.8387153221481237 eV
minimum distance =  2.23903785036605 Angstroms
sigma value = 41


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

Energy: 2.0941928418688254
Energy: 1.5703229253224344
Energy: 1.1148790551107648
Energy: 1.7025013824939896
Energy: 2.491052961606155
Energy: 1.0066837547865162
Energy: 0.9930546972969744
Energy: 1.0066837547928114
Energy: 2.1088396723897986
Energy: 1.0951952625359562
Energy: 1.0121274166938607
Energy: 1.0951952625359562
Energy: 1.7585560856359084
Energy: 1.4118178765500686
Energy: 1.2675571010870588
Energy: 1.4118178765516425
Energy: 2.108521932768439
Energy: 1.3430554250033686
Energy: 1.445029966779927
Energy: 1.3430554250041555
Energy: 1.65154356044109
Energy: 1.4537982256850437
Energy: 1.4419218359254686
Energy: 1.4537982256850437
Energy: 1.6611322552015553
Energy: 1.4661940955644195
Energy: 1.906553120151997
Energy: 1.4661940955636328
Energy: 1.460015791996168
Energy: 1.4396904315563823
Energy: 1.512468387522258
Energy: 1.439690431557956
Energy: 1.2682618220774464
Energy: 1.440573148575873
Energy: 1.9025443427061908
Energy: 1.44057314857666
Energy: 1.2504446393454336
Energy: 1.3651749660871906
Energy: 2.2857504284776327
Energy: 1.3651749660871906
Energy: 1.010980450510879
Energy: 1.6767460444538016
Energy: 1.9374289976748773
Energy: 1.6767460444545885
Energy: 1.0176251734686246
Energy: 1.0749320446769814
Energy: 2.284150111944379
Energy: 1.0749320446777684
Energy: 0.9953019927582368
Energy: 1.0767532721663795
Energy: 2.2891870641419074
Energy: 1.0767532721663795
Energy: 0.8159668289767293
Energy: 1.0985307585218294
Energy: 2.00112393245208
Energy: 1.0985307585186819
Energy: 0.7472358095590792
Energy: 0.7480087030431247
Energy: 2.5145651138938554
Energy: 0.748008703041551
Energy: 0.8000739246039771
Energy: 1.092739474493019
Energy: 2.07860950972232
Energy: 1.092739474492232
Energy: 1.0365546153329324
Energy: 1.1153160805686801
Energy: 2.083309289817802
Energy: 1.115316080571041
Energy: 1.0061900751527229
Energy: 1.0054907944509852
Energy: 2.3135222610827597
Energy: 1.005490794453346
Energy: 1.021597039199983
Energy: 1.4038925984784072
Energy: 1.7087108753259446
Energy: 1.4038925984760464
Energy: 1.4459953475366023
Energy: 1.4276548646703524
Energy: 1.705672129516996
Energy: 1.4276548646695655
Energy: 1.5347730003204794
Energy: 1.4107711940386878
Energy: 1.880559425138732
Energy: 1.41077119403554
Energy: 1.4472124249824176
Energy: 1.4450666952855769
Energy: 1.6647055562388764
Energy: 1.44506669528479
Energy: 1.90278279553255
Energy: 1.45922702326897
Energy: 1.6500938379646561
Energy: 1.45922702326897
Energy: 1.511885046021993
Energy: 1.4426686454487256
Energy: 1.4711958548779136
Energy: 1.4426686454479387
Energy: 1.8909468567573224
Energy: 1.3660529330838462
Energy: 1.2894413255914763
Energy: 1.3660529330822726
Energy: 1.8657740926795017
Energy: 1.4306399096601292
Energy: 1.4675987609363497
Energy: 1.4306399096601292
Energy: 1.919327862664982
Energy: 1.409882274657645
Energy: 1.0010496611897746
Energy: 1.409882274656858
Energy: 2.2824024516198307
Energy: 1.0036375902202457
Energy: 1.0178726468986938
Energy: 1.0036375902202457
Energy: 1.948245156572943
Energy: 1.1146846550477
Energy: 1.0072623783518648
Energy: 1.114684655048487
Energy: 1.9175828639888475
Energy: 0.8102483616721989
Energy: 0.7640828067135469
Energy: 0.8102483616674776
Energy: 2.4626591999121454
Energy: 0.7467978657312485
Energy: 0.7608439586090908
Energy: 0.7467978657312485
Energy: 2.0870560837953493
Energy: 1.1048397186871048
Energy: 0.8111815438262397
Energy: 1.1048397186894656

minimum gb energy = 0.7467978657312485 eV
minimum distance =  2.20184456974915 Angstroms
sigma value = 15


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

Energy: 2.073829037269262
Energy: 1.5045253379354342
Energy: 1.0530246889024315
Energy: 1.6208096610997202
Energy: 2.5042179319984794
Energy: 0.9131022296045656
Energy: 0.9066833366942326
Energy: 0.9131022296052321
Energy: 2.219990480011708
Energy: 0.995697389316504
Energy: 0.9051165523973568
Energy: 0.9956973893205038
Energy: 1.9463180870920331
Energy: 1.272861211170974
Energy: 1.4321885217837194
Energy: 1.2728612111703077
Energy: 2.215170919540116
Energy: 1.2289552356173008
Energy: 1.292943368132504
Energy: 1.228955235618634
Energy: 1.8243440001399787
Energy: 1.3202420331664872
Energy: 1.2796527865078144
Energy: 1.3202420331684874
Energy: 1.5320346699143355
Energy: 1.3406702220697608
Energy: 1.6969835815819705
Energy: 1.3406702220697608
Energy: 1.67709845002951
Energy: 1.307442971865194
Energy: 1.3266122544014574
Energy: 1.3074429718645275
Energy: 1.4973875103620624
Energy: 1.311896855676106
Energy: 1.6448697521307185
Energy: 1.311896855674773
Energy: 1.4979465022298006
Energy: 1.3309605889001803
Energy: 2.0430281987879013
Energy: 1.3309605888995135
Energy: 1.3074087524686246
Energy: 1.571909312403804
Energy: 1.83677076074706
Energy: 1.571909312405137
Energy: 1.1191793105928363
Energy: 1.2196334823072394
Energy: 2.0426169027609578
Energy: 1.2196334823059063
Energy: 1.2965846600006776
Energy: 1.2896622850077704
Energy: 2.0234798271884435
Energy: 1.2896622850091035
Energy: 0.9070896079299091
Energy: 1.271531000591503
Energy: 1.7406911544595045
Energy: 1.27153100058817
Energy: 0.9007582603177435
Energy: 0.9619907617629941
Energy: 2.442391346198256
Energy: 0.9619907617629941
Energy: 0.9014037196358279
Energy: 0.973732511260185
Energy: 2.011683234029294
Energy: 0.9737325112595183
Energy: 0.6799228741581478
Energy: 0.9917415745059921
Energy: 2.074051168035167
Energy: 0.9917415745099918
Energy: 0.680617349550174
Energy: 0.6790905081705666
Energy: 2.634520487911903
Energy: 0.6790905081699
Energy: 0.7412922391877383
Energy: 0.9942777103419684
Energy: 1.8862601416460838
Energy: 0.9942777103433016
Energy: 0.945560960846106
Energy: 1.0064159088206317
Energy: 2.200291100766369
Energy: 1.0064159088206317
Energy: 0.908602343011354
Energy: 0.9022515679951033
Energy: 2.4443906721962874
Energy: 0.9022515680031027
Energy: 0.9206712499598118
Energy: 1.2597276855272967
Energy: 1.943904206535893
Energy: 1.2597276855272967
Energy: 1.2810178733180668
Energy: 1.2798397335381124
Energy: 1.8232863902573657
Energy: 1.2798397335374458
Energy: 1.3260282056834392
Energy: 1.277061736678998
Energy: 2.021702841984495
Energy: 1.2770617366796646
Energy: 1.2959170845760442
Energy: 1.5665601624135967
Energy: 1.583482461931954
Energy: 1.56656016241493
Energy: 1.6424523477797182
Energy: 1.3383465271536847
Energy: 2.0812519882977347
Energy: 1.3383465271530786
Energy: 1.326321433628714
Energy: 1.3210185111860142
Energy: 1.66628646846617
Energy: 1.3210185111866808
Energy: 1.6575912241855877
Energy: 1.3851888618497856
Energy: 1.5355979219049116
Energy: 1.3851888618504524
Energy: 1.7016257232075975
Energy: 1.3344801157564916
Energy: 1.6701773643337574
Energy: 1.3344801157551585
Energy: 1.6811867872702528
Energy: 1.3143771266824278
Energy: 1.2963655635200817
Energy: 1.3143771266830944
Energy: 2.229030625725999
Energy: 1.2001170476407732
Energy: 1.1186780678066635
Energy: 1.2001170476381673
Energy: 1.739393001408741
Energy: 1.2708677214123698
Energy: 1.3163465637560283
Energy: 1.2708677214097035
Energy: 2.021387169830449
Energy: 1.0048681923164526
Energy: 0.9060995301012669
Energy: 1.0048681923151195
Energy: 2.41625560607968
Energy: 0.908908764972563
Energy: 0.8915159053329884
Energy: 0.9089087652224214
Energy: 2.149996258140621
Energy: 1.5061092659333433
Energy: 1.0549547065524887
Energy: 1.506109265937343
Energy: 2.3703822491026414
Energy: 0.6832546297434782
Energy: 0.6883299036867673
Energy: 0.6832546297441447
Energy: 2.202857131302361
Energy: 0.6841885685275076
Energy: 0.6855581587302203
Energy: 0.6841885685275076

minimum gb energy = 0.6790905081699 eV
minimum distance =  2.301935692568 Angstroms
sigma value = 85


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

Energy: 2.337161682673989
Energy: 1.4063911460388017
Energy: 0.9865484690104679
Energy: 1.4574135887588593
Energy: 2.5790558289085213
Energy: 0.8582467765151114
Energy: 0.8062955754401838
Energy: 0.8582467765145332
Energy: 2.0265117132725825
Energy: 0.8923728067692919
Energy: 0.8053070692669012
Energy: 0.8923728067698701
Energy: 1.7875925530874228
Energy: 1.1269544659949944
Energy: 1.3520150743229977
Energy: 1.12695446599326
Energy: 2.3272720077614313
Energy: 1.085554701770177
Energy: 1.1733767335499485
Energy: 1.085554701769599
Energy: 1.7412119598693032
Energy: 1.184231272533001
Energy: 1.183230083200528
Energy: 1.184231272533001
Energy: 1.7510148630380533
Energy: 1.2028949468947043
Energy: 1.4924018965273458
Energy: 1.2028949468947043
Energy: 1.7985914105800567
Energy: 1.1961196575859516
Energy: 1.2600205715498292
Energy: 1.1961196575859516
Energy: 1.702114356255201
Energy: 1.2018599063805835
Energy: 1.474770427193154
Energy: 1.2018599063800055
Energy: 1.700744550423499
Energy: 1.2204712262747104
Energy: 1.8046433635556747
Energy: 1.2204712262747104
Energy: 1.4601119689687443
Energy: 1.4041883808407312
Energy: 1.62301258182705
Energy: 1.4041883808413091
Energy: 1.4398443301841237
Energy: 1.1773734470547914
Energy: 1.8060393649214224
Energy: 1.1773734470542132
Energy: 1.4688041438499895
Energy: 1.1924033377720111
Energy: 1.873136608216466
Energy: 1.1924033377714334
Energy: 1.155394766936733
Energy: 1.1765142412000416
Energy: 1.6169589498341808
Energy: 1.1765142411994636
Energy: 1.0804875308747621
Energy: 1.0566723727821277
Energy: 2.113990246395345
Energy: 1.0566723727827056
Energy: 1.1498298692635491
Energy: 1.1432580924157363
Energy: 1.9148764767920599
Energy: 1.1432580924163143
Energy: 0.7803454411686743
Energy: 1.1232088151920094
Energy: 1.9138380970235218
Energy: 1.1232088151914315
Energy: 0.799808461297768
Energy: 0.7470402479458326
Energy: 2.496221300935302
Energy: 0.7470402479452545
Energy: 0.7816733076626194
Energy: 0.8053376672591855
Energy: 2.1764535891074526
Energy: 0.8053376672603417
Energy: 0.7024757371583898
Energy: 0.775426765366389
Energy: 2.1845497651580974
Energy: 0.7754267653669672
Energy: 0.6979725042288772
Energy: 0.7014365500810855
Energy: 2.5906266541737732
Energy: 0.7014365500776164
Energy: 0.69597764444125
Energy: 1.080271520752938
Energy: 2.0491403472659155
Energy: 1.08027152075236
Energy: 0.878123292052851
Energy: 0.9875008565037919
Energy: 2.2844224703485185
Energy: 0.9875008565026355
Energy: 0.8969482745442525
Energy: 0.9003824681039194
Energy: 2.3607546032532665
Energy: 0.9003824681033412
Energy: 1.0823227380401659
Energy: 1.4677307038214875
Energy: 1.7878030698835865
Energy: 1.467730703820331
Energy: 1.1266374255806264
Energy: 1.0422037105531528
Energy: 2.3455986705654794
Energy: 1.0422037105531528
Energy: 1.1683758968881872
Energy: 1.0623032223282958
Energy: 2.0502300761600343
Energy: 1.0623032223282958
Energy: 1.125659274538745
Energy: 1.4739329651952833
Energy: 1.79062797789915
Energy: 1.4739329651952833
Energy: 1.4686411732725555
Energy: 1.1726044809500495
Energy: 2.079155974604014
Energy: 1.1726044809494713
Energy: 1.4659778744872887
Energy: 1.205477555911494
Energy: 1.6963753738656826
Energy: 1.2054775559120725
Energy: 1.8577360770608289
Energy: 1.2067893147612905
Energy: 1.4369803738798952
Energy: 1.2067893147618682
Energy: 1.6183614861910323
Energy: 1.2062671877790703
Energy: 1.7816147251015468
Energy: 1.2062671877790703
Energy: 1.8056879464249624
Energy: 1.2120187762767716
Energy: 1.4246817691255638
Energy: 1.2120187762767716
Energy: 2.1309051957174834
Energy: 1.1961197571720472
Energy: 1.3901387888497463
Energy: 1.1961197571732036
Energy: 1.621099492146855
Energy: 1.4840401489305475
Energy: 1.1612149098091253
Energy: 1.4840401489305475
Energy: 2.1203191611821386
Energy: 1.1536118289254518
Energy: 1.1580943725426638
Energy: 1.1536118289260302
Energy: 2.20618725387929
Energy: 1.0916702723861396
Energy: 1.1505761214233774
Energy: 1.091670272386718
Energy: 1.9633919336948111
Energy: 1.125603531982742
Energy: 0.7974750442258208
Energy: 1.125603531982164
Energy: 2.510948610048718
Energy: 0.8259154454702506
Energy: 0.8004877587323037
Energy: 0.8259154454696727
Energy: 2.181249660673886
Energy: 0.8352566449225948
Energy: 0.795512471510572
Energy: 0.8352566449353142
Energy: 1.9615141036588226
Energy: 0.6446878637633755
Energy: 0.6057894500547777
Energy: 0.644687863765688
Energy: 2.6257510456310063
Energy: 0.6025025600516836
Energy: 0.606997970220205
Energy: 0.6025025600522615
Energy: 2.080028389976327
Energy: 0.8682322013933931
Energy: 0.6252476481597522
Energy: 0.8682322013939713

minimum gb energy = 0.6025025600516836 eV
minimum distance =  2.22830969505036 Angstroms
sigma value = 113


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

Energy: 0.018584985597441993
Energy: 0.5033338293230996
Energy: 1.6885500422799837
Energy: 0.01942199555973076
Energy: 1.4738555301522371
Energy: 0.13655240999038237
Energy: 1.3191626984746376
Energy: 0.1365524099908268
Energy: 0.01940136239841958
Energy: 0.13473122852428102
Energy: 1.318125973362793
Energy: 0.13473122852516994
Energy: 0.020811534226174416
Energy: 0.13835259177867257
Energy: 1.3216617514733622
Energy: 0.13835259177911702
Energy: 1.6908586003631962
Energy: 0.13654782719378206
Energy: 1.3216035208625119
Energy: 0.13654782719378206
Energy: 0.019188558640922115
Energy: 0.13508697240570283
Energy: 1.3178547306031074
Energy: 0.13508697240530773

minimum gb energy = 0.018584985597441993 eV
minimum distance =  2.51966195059075 Angstroms
sigma value = 1