Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013429506980125756
Energy: 0.013776729406481713
Energy: 2.8353326554589815
Energy: 0.013776729406481713
Energy: 0.013776729406481713
Energy: 0.013914631843294122
Energy: 0.4400843429338551
Energy: 0.013914631843294122
Energy: 2.8353326554589815
Energy: 0.4400843429338551
Energy: 0.44004761060703024
Energy: 0.4400843429338551
Energy: 0.013776729406481713
Energy: 0.013914631843294122
Energy: 0.4400843429338551
Energy: 0.013914631843294122

minimum gb energy = 0.013429506980125756 eV
minimum distance =  2.4726697879304 Angstroms
sigma value = 1


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

Energy: 1.5909548021224371
Energy: 1.4970742300501958
Energy: 1.1134010947937496
Energy: 1.4970742300489803
Energy: 1.721348353995515
Energy: 1.2202481306321016
Energy: 1.0999646838770654
Energy: 1.2202481306308863
Energy: 1.8055100861733133
Energy: 1.0210535676460193
Energy: 1.009591756396548
Energy: 1.0210535676460193
Energy: 1.562518610545082
Energy: 1.2513882139767363
Energy: 1.096520255541071
Energy: 1.2513882139767363
Energy: 1.5627679854659717
Energy: 1.283186426260437
Energy: 1.4724954945289839
Energy: 1.283186426260437
Energy: 1.6825085864078633
Energy: 1.1908316574006772
Energy: 0.9968365755853118
Energy: 1.190831657399462
Energy: 1.2498018308771899
Energy: 1.3053819469837116
Energy: 0.9969163275575883
Energy: 1.305381946982496
Energy: 0.9981036956135373
Energy: 1.2597659199181046
Energy: 1.4724256193996177
Energy: 1.25976591991932
Energy: 1.2487795585258614
Energy: 1.297231341937117
Energy: 1.4956498172029942
Energy: 1.2972313419359016
Energy: 1.6957502949501748
Energy: 1.407474255938879
Energy: 1.2828528122819414
Energy: 1.4074742559376636
Energy: 1.0046430653870508
Energy: 1.2893772632319076
Energy: 1.495965615365621
Energy: 1.289377263233123
Energy: 1.0051249027911457
Energy: 1.0048655807471418
Energy: 2.1931741317429365
Energy: 1.0048655807483573
Energy: 1.3042002746502799
Energy: 1.280039761671197
Energy: 1.5601543290898194
Energy: 1.280039761671197
Energy: 1.0807398202226521
Energy: 1.2781092641200709
Energy: 1.5628375097362275
Energy: 1.2781092641200709
Energy: 1.0220035713612623
Energy: 1.2261616256480017
Energy: 1.723413855927346
Energy: 1.2261616256480017
Energy: 1.021929220359821
Energy: 1.2259629778365326
Energy: 1.723395879495991
Energy: 1.225962977837748
Energy: 1.1680856912784396
Energy: 1.277947015530199
Energy: 1.5946918291486305
Energy: 1.2779470155326298
Energy: 1.303711154337974
Energy: 1.2785375685387714
Energy: 1.52852603343365
Energy: 1.27853756853391
Energy: 1.0021239370133328
Energy: 1.0048516095230573
Energy: 2.279709218153847
Energy: 1.0048516095218418
Energy: 1.0048164344319652
Energy: 1.2902517761308965
Energy: 1.2635766653326974
Energy: 1.2902517761321117
Energy: 1.6958639024636437
Energy: 1.2904591395036866
Energy: 1.2861475167531544
Energy: 1.2904591395012557
Energy: 1.2684651816944064
Energy: 1.2116776392308908
Energy: 1.4956401370365375
Energy: 1.2116776392308908
Energy: 1.2921682886618846
Energy: 1.156640960334928
Energy: 1.2814963709949339
Energy: 1.156640960334928
Energy: 1.476438270835215
Energy: 1.3071681967174302
Energy: 0.9969053868582946
Energy: 1.3071681967149995
Energy: 1.6824518725503004
Energy: 1.1916932799717248
Energy: 0.9970575988900566
Energy: 1.1916932799717248
Energy: 1.5672670076411217
Energy: 1.2831790259217175
Energy: 1.4725315975021782
Energy: 1.2831790259205023
Energy: 1.5285626677834336
Energy: 1.2511597398505911
Energy: 1.0565375266178973
Energy: 1.2511597398518066
Energy: 1.9206305958293135
Energy: 1.0209446017942188
Energy: 1.010614715736002
Energy: 1.020944601793003
Energy: 1.7194270512328504
Energy: 1.2392031717122476
Energy: 1.0994099036802205
Energy: 1.2392031717134628
Energy: 1.5919576818569343
Energy: 1.327796918302388
Energy: 1.101933126548091
Energy: 1.3277969183060343
Energy: 1.7194362335008304
Energy: 1.2236022570203928
Energy: 1.0832414399651005
Energy: 1.2236022570203928
Energy: 1.6823338073854515
Energy: 1.1970839861110627
Energy: 1.0098886203623432
Energy: 1.1970839861110627
Energy: 1.5629445266736541
Energy: 1.250858898864907
Energy: 1.0966035365148734
Energy: 1.250858898864907

minimum gb energy = 0.9968365755853118 eV
minimum distance =  2.27369678815881 Angstroms
sigma value = 1


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

Energy: 1.954441056450311
Energy: 1.5467478214789516
Energy: 1.1607043241272619
Energy: 1.5467478214803374
Energy: 1.785518846396355
Energy: 1.3429657521992462
Energy: 1.2291974970969224
Energy: 1.3429657521950888
Energy: 1.7095779453238995
Energy: 1.073559064936754
Energy: 1.074427331193704
Energy: 1.073559064935368
Energy: 1.2173687946116625
Energy: 1.3024707474385526
Energy: 1.2261418046743195
Energy: 1.3024707474385526
Energy: 1.2306021124196784
Energy: 1.3685169292900583
Energy: 1.609701072143866
Energy: 1.3685169292928299
Energy: 1.7096065544406267
Energy: 1.1407900756506109
Energy: 1.2088993748935954
Energy: 1.1407900756506109
Energy: 1.2304132685792246
Energy: 1.3267648025817904
Energy: 1.2267751903541781
Energy: 1.3267648025817904
Energy: 1.2269895406734317
Energy: 1.220253869919123
Energy: 1.6472927066012932
Energy: 1.220253869919123
Energy: 1.204884800086188
Energy: 1.2645100749339484
Energy: 1.7098204198595652
Energy: 1.2645100749339484
Energy: 1.3455655344644273
Energy: 1.2088698289237152
Energy: 1.2146280586381983
Energy: 1.2088698289237152
Energy: 1.075139687072817
Energy: 1.3643080094979363
Energy: 1.710358397698659
Energy: 1.3643080095007076
Energy: 1.1416182332935023
Energy: 1.2274373099775706
Energy: 2.096546551834926
Energy: 1.2274373099775706
Energy: 1.2908369748749806
Energy: 1.3080258268889904
Energy: 1.6492553992015653
Energy: 1.3080258268876046
Energy: 1.2908369748749806
Energy: 1.3077991998663538
Energy: 1.6494648459587067
Energy: 1.3077991998663538
Energy: 1.0604575742619806
Energy: 1.1168975051470917
Energy: 2.096016030454677
Energy: 1.1168975051470917
Energy: 1.0605478388448233
Energy: 1.3063809520122829
Energy: 1.7103746764438144
Energy: 1.3063809520122829
Energy: 1.3455655344658133
Energy: 1.2086980229842792
Energy: 1.2146317414189942
Energy: 1.2086980229856648
Energy: 1.2281980962847006
Energy: 1.1957858891331612
Energy: 1.7097464102773632
Energy: 1.1957858891331612
Energy: 1.2269677747672876
Energy: 1.2202420541707282
Energy: 1.6472927066012932
Energy: 1.2202420541707282
Energy: 1.206682783563306
Energy: 1.3197840106195349
Energy: 1.2303411717857462
Energy: 1.3197840106195349
Energy: 1.7097598917039
Energy: 1.1367462219745947
Energy: 1.2047004582389944
Energy: 1.1367462219745947
Energy: 1.2148841401530408
Energy: 1.3242313994925015
Energy: 1.609701072143866
Energy: 1.3242313994925015
Energy: 1.2305430433158022
Energy: 1.354215372656955
Energy: 1.226141804675705
Energy: 1.354215372656955
Energy: 1.7096831145688696
Energy: 1.0754272621152219
Energy: 1.0762208812999194
Energy: 1.0754272621152219
Energy: 1.7517292144863754
Energy: 1.2998112746418269
Energy: 1.2291974970983084
Energy: 1.2998112746418269
Energy: 1.954441056450311
Energy: 1.54674782147618
Energy: 1.160704322167234
Energy: 1.5467478214775658
Energy: 1.785518846397741
Energy: 1.3429657521950888
Energy: 1.2291974970983084
Energy: 1.3429657521950888
Energy: 1.7095779453238995
Energy: 1.073559064936754
Energy: 1.074427331193704
Energy: 1.073559064936754
Energy: 1.2173687946116625
Energy: 1.3024707474399384
Energy: 1.2261418046743195
Energy: 1.3024707474385526

minimum gb energy = 1.0604575742619806 eV
minimum distance =  2.27967788004296 Angstroms
sigma value = 25


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

Energy: 1.5220457025160974
Energy: 1.8504146834755315
Energy: 1.2654783292086151
Energy: 1.8504146834755315
Energy: 1.7652304866692075
Energy: 1.2554299637230684
Energy: 1.3065900286555674
Energy: 1.2554299637214574
Energy: 1.7083289289728183
Energy: 1.151972767778741
Energy: 1.1524717107581108
Energy: 1.151972767778741
Energy: 1.4999227136285604
Energy: 1.3311812408368637
Energy: 1.2651449868988554
Energy: 1.3311812408368637
Energy: 1.4995513161094605
Energy: 1.3313772601210072
Energy: 1.4975464339617712
Energy: 1.331377260119396
Energy: 1.7085705888721505
Energy: 1.1281179156068948
Energy: 1.127974683909634
Energy: 1.1281179156068948
Energy: 1.1472269730295837
Energy: 1.4408136338759374
Energy: 1.1283867931691514
Energy: 1.4408136338743263
Energy: 1.134682676236427
Energy: 1.1476818784362481
Energy: 1.7411855986619513
Energy: 1.1476818784362481
Energy: 1.239014386925675
Energy: 1.3988957621912759
Energy: 1.4873620586082206
Energy: 1.3988957621928868
Energy: 1.2261821741401377
Energy: 1.499647505368657
Energy: 1.524006510785525
Energy: 1.499647505368657
Energy: 1.227831743297103
Energy: 1.3730027199107198
Energy: 1.7765941278927462
Energy: 1.3730027199107198
Energy: 1.2536547487671552
Energy: 1.2188165324408924
Energy: 1.776317943233581
Energy: 1.2188165324425033
Energy: 1.228696463474236
Energy: 1.4001777035526304
Energy: 1.522381239469967
Energy: 1.4001777035510194
Energy: 1.2389003903563887
Energy: 1.3914604755030628
Energy: 1.4874821399460647
Energy: 1.3914604755030628
Energy: 1.1362891328136977
Energy: 1.147434182398637
Energy: 2.183665411204913
Energy: 1.147434182398637
Energy: 1.1471012343675309
Energy: 1.3898639705947013
Energy: 1.1287144549305324
Energy: 1.3898639705930904
Energy: 2.0748408817489437
Energy: 1.1281656490583292
Energy: 1.1278875842263965
Energy: 1.1281656490583292
Energy: 1.4560878801655188
Energy: 1.3314089099265292
Energy: 1.497540463241885
Energy: 1.3314089099249182
Energy: 1.5405041538043993
Energy: 1.3724236058915809
Energy: 1.2652180543301808
Energy: 1.3724236058899701
Energy: 1.4560129246278595
Energy: 1.1989654152648628
Energy: 1.1533236084970149
Energy: 1.1989654152648628
Energy: 1.7640992439518397
Energy: 1.2561039231787443
Energy: 1.1738106461874185
Energy: 1.2561039231787443
Energy: 1.521530643338557
Energy: 1.5368951859395987
Energy: 1.2771589084398725
Energy: 1.5368951859395987
Energy: 1.7642729802928918
Energy: 1.3870236901178372
Energy: 1.3376129991850612
Energy: 1.3870236901178372
Energy: 1.737214552825788
Energy: 1.174646045093015
Energy: 1.1738204905045
Energy: 1.174646045093015
Energy: 1.499717946962912
Energy: 1.3311556553662374
Energy: 1.1712821063327141
Energy: 1.3311556553662374

minimum gb energy = 1.1278875842263965 eV
minimum distance =  2.26417979224519 Angstroms
sigma value = 9


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

Energy: 1.4365770449640083
Energy: 1.4209683452093882
Energy: 1.3645938339555592
Energy: 1.4209683452093882
Energy: 1.407195047931078
Energy: 1.2270841724126
Energy: 1.2537082355721385
Energy: 1.2270841724127965
Energy: 1.4990836526039406
Energy: 1.248972192748044
Energy: 1.2508892039318653
Energy: 1.2489721927482187
Energy: 1.4609254988794071
Energy: 1.368144856566457
Energy: 1.3125661783205333
Energy: 1.3681448565666534
Energy: 1.4120577612234388
Energy: 1.4289605413820603
Energy: 1.49860415615505
Energy: 1.4289605413812962
Energy: 2.0500212015917487
Energy: 1.3243065616693077
Energy: 1.46061876454145
Energy: 1.3243065616695042
Energy: 1.2509013373854936
Energy: 1.4553696888844538
Energy: 1.4625018852916694
Energy: 1.4553696888842573
Energy: 1.3228887352427812
Energy: 1.319654689811045
Energy: 1.867434022337734
Energy: 1.3196546898102808
Energy: 1.5205194832449398
Energy: 1.4373015648176928
Energy: 1.1674310220300697
Energy: 1.4373015648174963
Energy: 1.5209872897398424
Energy: 1.1671979774125698
Energy: 1.16727290331885
Energy: 1.1671979774125698
Energy: 1.2152614910753734
Energy: 1.2851068460112878
Energy: 1.8673910482259426
Energy: 1.285106846011659
Energy: 1.337346529629114
Energy: 1.306025902296967
Energy: 1.4988381122219423
Energy: 1.30602590229522
Energy: 1.5210579588549615
Energy: 1.4464127144085028
Energy: 1.4636888689931997
Energy: 1.4464127144085028
Energy: 1.5168120819758473
Energy: 1.3062332808708883
Energy: 1.4393883719389695
Energy: 1.3062332808708883
Energy: 1.4635022638409172
Energy: 1.4487295643692006
Energy: 1.4699317029913563
Energy: 1.4487295643688076
Energy: 1.4126275712183771
Energy: 1.250186683799627
Energy: 1.2512390215840612
Energy: 1.2501866837990592
Energy: 1.8918192715330735
Energy: 1.3951456960306496
Energy: 1.319654034319128
Energy: 1.3951456960310429
Energy: 1.4356035023185583
Energy: 1.4207841196488014
Energy: 1.4794006413672909
Energy: 1.4207841196488014
Energy: 1.407569777642161
Energy: 1.3707518079497363
Energy: 1.4775744237321893
Energy: 1.370751807950697
Energy: 1.8915396196848084
Energy: 1.2572770020633988
Energy: 1.2510392245438213
Energy: 1.2572770020632023
Energy: 1.462427481197886
Energy: 1.3916816312172708
Energy: 1.3158784198433144
Energy: 1.3916816312172708

minimum gb energy = 1.1671979774125698 eV
minimum distance =  2.29419903536421 Angstroms
sigma value = 25


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

Energy: 1.2997700097812521
Energy: 1.8279817885665341
Energy: 1.4733813207569515
Energy: 1.8279817885667504
Energy: 1.7782545528502878
Energy: 1.4630365095136175
Energy: 1.3459211145694097
Energy: 1.4630365095140765
Energy: 1.4756233440619222
Energy: 1.3471812701067318
Energy: 1.3477155486237082
Energy: 1.3471812701069752
Energy: 1.3199703766208397
Energy: 1.4025198403283274
Energy: 1.3415897247806188
Energy: 1.4025198403283274
Energy: 1.475293930740772
Energy: 1.4554175693904003
Energy: 1.818410381055208
Energy: 1.4554175693899143
Energy: 1.814805193404012
Energy: 1.3631395312088237
Energy: 1.2943750615638336
Energy: 1.3631395312092829
Energy: 1.4398020834942444
Energy: 1.4852811681105031
Energy: 1.371986921859985
Energy: 1.4852811681105031
Energy: 1.4916431604594498
Energy: 1.3915414751523292
Energy: 1.8183327622753458
Energy: 1.3915414751513842
Energy: 1.543708772319532
Energy: 1.362713076558736
Energy: 1.2943750713434303
Energy: 1.3627130765585198
Energy: 1.4757908584990098
Energy: 1.410031895226124
Energy: 1.294561146323563
Energy: 1.410031895226124
Energy: 1.3347075191589481
Energy: 1.4024661204138145
Energy: 1.7612226145479997
Energy: 1.4024661204140576
Energy: 1.3349911926673483
Energy: 1.505233683877798
Energy: 1.3417789701850793
Energy: 1.505233683877798
Energy: 1.6473709898627358
Energy: 1.3419128785665213
Energy: 1.3421009408919065
Energy: 1.3419128785660623
Energy: 1.7781450247840977
Energy: 1.4919699519727818
Energy: 1.6142859560199305
Energy: 1.4919699519732679
Energy: 1.6182339476901393
Energy: 1.5242780565067633
Energy: 1.6224309839679667
Energy: 1.524278056507952
Energy: 1.8493558854289633
Energy: 1.3115033631946715
Energy: 1.3418773668722492
Energy: 1.3115033631937263
Energy: 1.4752888973024887
Energy: 1.3636914732559862
Energy: 1.341128634242703
Energy: 1.363691473255743

minimum gb energy = 1.2943750615638336 eV
minimum distance =  2.28439332622338 Angstroms
sigma value = 17


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

Energy: 1.7109183707909794
Energy: 1.6548219413946395
Energy: 1.5688843002079387
Energy: 1.6548219413946395
Energy: 1.8981504426194205
Energy: 1.491477356301073
Energy: 1.4935147830520017
Energy: 1.491477356302419
Energy: 1.5267294323837877
Energy: 1.4309065713450184
Energy: 1.3806457774901884
Energy: 1.4309065713450184
Energy: 1.3508678415203785
Energy: 1.426529988739496
Energy: 1.4313070179115692
Energy: 1.4265299887435339
Energy: 1.4120197843053433
Energy: 1.476113361755066
Energy: 1.7012485292133894
Energy: 1.476113361755066
Energy: 1.9604194869348983
Energy: 1.5047968602764583
Energy: 1.343948272278328
Energy: 1.5047968602764583
Energy: 1.5193048070821047
Energy: 1.4967256331355785
Energy: 1.7009619108448681
Energy: 1.4967256331382706
Energy: 1.406203867247767
Energy: 1.4672772925502318
Energy: 1.7447706425697898
Energy: 1.4672772925502318
Energy: 1.4642727041459656
Energy: 1.401580224531214
Energy: 1.350378956317837
Energy: 1.401580224531214
Energy: 1.7378007024126494
Energy: 1.4623981070607286
Energy: 1.5077944538903387
Energy: 1.4623981070593826
Energy: 1.344283648351287
Energy: 1.3880234952631518
Energy: 1.9446512534757954
Energy: 1.3880234952644979
Energy: 1.4366475544821897
Energy: 1.4521298285908346
Energy: 1.4797319651136773
Energy: 1.4521298285894886
Energy: 1.738067410550856
Energy: 1.4969525798152796
Energy: 1.447825071737363
Energy: 1.4969525798152796
Energy: 1.3441707506872598
Energy: 1.387994604884525
Energy: 1.5213017754608114
Energy: 1.387994604884525
Energy: 1.4366607112084497
Energy: 1.5119833299345167
Energy: 1.7753217644507477
Energy: 1.5119833299345167
Energy: 1.6545620804777876
Energy: 1.4016323040775729
Energy: 1.3475877065624202
Energy: 1.4016323040775729
Energy: 1.4035028247612227
Energy: 1.5277707768919262
Energy: 1.4469277698343161
Energy: 1.5277707768932722
Energy: 1.39233631387713
Energy: 1.4563128880367457
Energy: 1.6148511310691325
Energy: 1.4563128880367457
Energy: 1.5147633791669768
Energy: 1.5042982892239007
Energy: 1.6456092905349102
Energy: 1.5042982892239007
Energy: 1.776570474676495
Energy: 1.5084019074462058
Energy: 1.6462927298133008
Energy: 1.5084019074462058
Energy: 1.3507261332311316
Energy: 1.4269340258588072
Energy: 1.6872730331929755
Energy: 1.426934025860153
Energy: 1.3506755377084005
Energy: 1.5002530767170195
Energy: 1.4438750718055944
Energy: 1.5002530767170195
Energy: 1.6350524491080292
Energy: 1.4197106727371425
Energy: 1.3632506802083073
Energy: 1.4197106727357964
Energy: 1.676369849504787
Energy: 1.4845915665170188
Energy: 1.617167609759206
Energy: 1.4845915665170188
Energy: 1.713903665165918
Energy: 1.5446222775544316
Energy: 1.6213222019814226
Energy: 1.5446222775598153
Energy: 1.6643365549932478
Energy: 1.4195879310468558
Energy: 1.4432817608728068
Energy: 1.4195879310468558
Energy: 1.350419376369287
Energy: 1.403292435797751
Energy: 1.3688731567711125
Energy: 1.403292435797751
Energy: 1.352220605715365
Energy: 1.3963551839908195
Energy: 1.6688358671940378
Energy: 1.3963551839908195
Energy: 1.576940519066468
Energy: 1.484012966083194
Energy: 1.648978463256782
Energy: 1.484012966083194
Energy: 1.5991573818982625
Energy: 1.505029299783495
Energy: 1.3418159071226983
Energy: 1.505029299783495

minimum gb energy = 1.3418159071226983 eV
minimum distance =  2.29179229731317 Angstroms
sigma value = 53


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

Energy: 1.305628637357914
Energy: 1.3032197668814482
Energy: 1.525921886852341
Energy: 1.3032197668808496
Energy: 1.4304178368356033
Energy: 1.3315159904503164
Energy: 1.4304944140502014
Energy: 1.3315159904509504
Energy: 1.8441164967389887
Energy: 1.3923263274566082
Energy: 1.530375390351921
Energy: 1.3923263274563265
Energy: 1.5303721027676813
Energy: 1.451784309484058
Energy: 1.844213394263113
Energy: 1.4517843094834593
Energy: 1.430476342151213
Energy: 1.3314778522264996
Energy: 1.4304973312815086
Energy: 1.331477852225584
Energy: 2.731245115265017
Energy: 1.3032197668814482
Energy: 1.3056286373582309
Energy: 1.3032197668817653
Energy: 1.4304944140498845
Energy: 1.3315159904506335
Energy: 1.4304178368352862
Energy: 1.3315159904506335
Energy: 1.5303753903516397
Energy: 1.3923263274563265
Energy: 1.8441164967380734
Energy: 1.392326327456925
Energy: 1.8442133942634298
Energy: 1.451784309484375
Energy: 1.5303721027676813
Energy: 1.451784309484058
Energy: 1.430497331280558
Energy: 1.331477852225901
Energy: 1.4304763421508961
Energy: 1.331477852225584
Energy: 1.305628637357914
Energy: 1.3032197668817653
Energy: 1.525921886844876
Energy: 1.3032197668817653
Energy: 1.4304178368352862
Energy: 1.331515990451549
Energy: 1.4304944140492857
Energy: 1.3315159904503164
Energy: 1.8441164967389887
Energy: 1.3923263274560096
Energy: 1.5303753903513226
Energy: 1.3923263274556927

minimum gb energy = 1.3032197668808496 eV
minimum distance =  2.30939449798081 Angstroms
sigma value = 9


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

Energy: 1.5639856637433747
Energy: 1.673101739911177
Energy: 1.7700612052392062
Energy: 1.673101739911177
Energy: 1.8010660157242417
Energy: 1.6048128213602009
Energy: 1.6218849980849712
Energy: 1.6048128213602009
Energy: 1.544188832898819
Energy: 1.5224312426320454
Energy: 1.435221167228664
Energy: 1.5224312426320454
Energy: 1.4903686900909856
Energy: 1.5230605138215985
Energy: 1.6030858719848542
Energy: 1.5230605138227453
Energy: 1.6034582451360337
Energy: 1.5947718087211684
Energy: 1.7914882747604626
Energy: 1.5947718087200216
Energy: 1.8437875577270633
Energy: 1.4639060941841895
Energy: 1.5639959575755098
Energy: 1.4639060941841895
Energy: 1.6114930397164537
Energy: 1.584871597153449
Energy: 1.8400151587314684
Energy: 1.584871597153449
Energy: 1.4597977157700375
Energy: 1.4482672242792483
Energy: 1.5134171035879067
Energy: 1.4482672242803951
Energy: 1.5696721141726457
Energy: 1.5677951276323794
Energy: 1.4944032828404605
Energy: 1.5677951276312327
Energy: 1.5912215838914299
Energy: 1.5531072236747157
Energy: 1.570445891889379
Energy: 1.5531072236747157
Energy: 1.413277816522413
Energy: 1.4709904910249496
Energy: 1.8245340606002372
Energy: 1.4709904910249496
Energy: 1.905263087685448
Energy: 1.5778779149222508
Energy: 1.5626939656643184
Energy: 1.5778779149222508
Energy: 1.6361446176058874
Energy: 1.4365836015314732
Energy: 1.4170413683282208
Energy: 1.43658360153262
Energy: 1.5624467433238844
Energy: 1.5855686861743143
Energy: 1.6455297792109416
Energy: 1.5855686861743143
Energy: 1.5700675013700722
Energy: 1.4857465594796908
Energy: 1.5078126616586993
Energy: 1.4857465594796908
Energy: 1.8689215268742219
Energy: 1.4369320459695136
Energy: 1.4199835821794164
Energy: 1.4369320459683665
Energy: 1.5911533419032071
Energy: 1.4882799263065958
Energy: 1.9194365725130995
Energy: 1.4882799263065958
Energy: 1.415591592434659
Energy: 1.4738928120113575
Energy: 1.5646666428574132
Energy: 1.4738928120125043
Energy: 1.845702452475314
Energy: 1.5769365963506752
Energy: 1.5589282377945792
Energy: 1.5769365963518218
Energy: 1.5199760673395604
Energy: 1.485673332512186
Energy: 1.4880982171795747
Energy: 1.485673332511039
Energy: 1.45727016443083
Energy: 1.4506651157509378
Energy: 1.7860990765211704
Energy: 1.450665115752085
Energy: 1.7353578710808084
Energy: 1.6086652793009153
Energy: 1.5606784688809254
Energy: 1.6086652792997684
Energy: 1.6896380731530287
Energy: 1.462160998776552
Energy: 1.5350342345196881
Energy: 1.462160998775405
Energy: 1.586075417181946
Energy: 1.5560119575834803
Energy: 1.9187340828471713
Energy: 1.5560119575834803
Energy: 1.4901587470036386
Energy: 1.4927456012081106
Energy: 1.4623184786696208
Energy: 1.4927456012092575
Energy: 1.6954183129755875
Energy: 1.4715120705012372
Energy: 1.4663763051258434
Energy: 1.4715120705023843
Energy: 1.661438003311073
Energy: 1.599308928755977
Energy: 1.7537545303910846
Energy: 1.599308928755977
Energy: 1.5386503722459177
Energy: 1.6046006397190635
Energy: 1.8775194490693934
Energy: 1.6046006397179167
Energy: 1.8583934532110415
Energy: 1.4737516178956247
Energy: 1.4828204734622972
Energy: 1.4737516178967716
Energy: 1.510608163309174
Energy: 1.5421032412972497
Energy: 1.4663924395592587
Energy: 1.5421032412961029
Energy: 1.5153570783167756
Energy: 1.5482917216099101
Energy: 1.886675024468797
Energy: 1.5482917216099101
Energy: 1.6904939733809472
Energy: 1.6146112046882537
Energy: 1.5368726207584955
Energy: 1.6146112046882537
Energy: 1.8730806116613061
Energy: 1.602136735197192
Energy: 1.5308761710429595
Energy: 1.6021367351983387
Energy: 1.4816790051852124
Energy: 1.46496172989044
Energy: 1.8111119810206806
Energy: 1.464961729889293
Energy: 1.4961052852611527
Energy: 1.4856325754390276
Energy: 1.50874018352892
Energy: 1.4856325754401747

minimum gb energy = 1.413277816522413 eV
minimum distance =  2.23571517487448 Angstroms
sigma value = 73


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

Energy: 1.6537825588580797
Energy: 1.4858626048806836
Energy: 1.7598628225785342
Energy: 1.4858626048806836
Energy: 1.6342388274591897
Energy: 1.6203085924288618
Energy: 1.6430081220330122
Energy: 1.6203085924288618
Energy: 1.5291156533996801
Energy: 1.5005253457580336
Energy: 1.4618040868781392
Energy: 1.5005253457580336
Energy: 1.495413643755772
Energy: 1.450290822528482
Energy: 1.6212184415664859
Energy: 1.450290822528482
Energy: 1.661766441804773
Energy: 1.4969234805914022
Energy: 1.6190079710905445
Energy: 1.496923480591961
Energy: 2.0304812251876396
Energy: 1.4992480244481698
Energy: 1.4123298832300373
Energy: 1.4992480244479836
Energy: 1.5560748157148776
Energy: 1.6704570299235544
Energy: 1.678856438649561
Energy: 1.670457029924092
Energy: 1.4273815615087044
Energy: 1.4507969934935918
Energy: 1.6509831664467496
Energy: 1.4507969934934057
Energy: 1.7278805780179076
Energy: 1.499415597213144
Energy: 1.6344549343567032
Energy: 1.499415597213144
Energy: 1.556354945214376
Energy: 1.5456305551332719
Energy: 1.6031584004865067
Energy: 1.5456305551332719
Energy: 1.4264097794443384
Energy: 1.4519542769790597
Energy: 1.9168234381539537
Energy: 1.4519542769790597
Energy: 1.7751257005163883
Energy: 1.519989097613569
Energy: 1.6797373801307096
Energy: 1.5199890976137556
Energy: 1.6655408465032944
Energy: 1.4984230171440918
Energy: 1.413066395557282
Energy: 1.498423017144278
Energy: 1.571545503901714
Energy: 1.692682528145058
Energy: 2.064931193839077
Energy: 1.6926825281455955
Energy: 1.492896309294556
Energy: 1.5077218728240778
Energy: 1.5490931834180621
Energy: 1.5077218728240778
Energy: 1.6997757903840491
Energy: 1.5010152353303816
Energy: 1.495908946726213
Energy: 1.5010152353303816
Energy: 1.5964652702349704
Energy: 1.4771606705495177
Energy: 1.8351085017272677
Energy: 1.4771606705495177
Energy: 1.5973809976613986
Energy: 1.4868033176652313
Energy: 1.8352978655816325
Energy: 1.4868033176643214
Energy: 1.8275894053080048
Energy: 1.5007185783247274
Energy: 1.5462076106371094
Energy: 1.5007185783265473
Energy: 1.4931124105275377
Energy: 1.508742075191299
Energy: 1.621515996358499
Energy: 1.508742075191299
Energy: 1.5283576464099247
Energy: 1.598833523380166
Energy: 2.1228288786655147
Energy: 1.598833523380166
Energy: 1.6652014386727934
Energy: 1.5210302925597483
Energy: 1.4128526576707996
Energy: 1.5210302925595622

minimum gb energy = 1.4123298832300373 eV
minimum distance =  2.22826986202814 Angstroms
sigma value = 7


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

Energy: 1.9674499147311828
Energy: 1.6395271662264526
Energy: 2.1734003257284313
Energy: 1.6395271662251656
Energy: 1.8348536546354717
Energy: 1.625983005545159
Energy: 1.6342209010123756
Energy: 1.6259830055438722
Energy: 1.565166346965291
Energy: 1.507204847665022
Energy: 1.5373034471796108
Energy: 1.507204847665022
Energy: 1.5241056640737247
Energy: 1.4579008482629994
Energy: 1.609513711270148
Energy: 1.4579008482629994
Energy: 1.6352040773679273
Energy: 1.599159470651101
Energy: 1.4887198435219209
Energy: 1.599159470651101
Energy: 1.9925605183990995
Energy: 1.4778658774409434
Energy: 1.510985028423433
Energy: 1.4778658774409434
Energy: 1.5886043714139642
Energy: 1.7168805382172416
Energy: 1.9625329505135363
Energy: 1.7168805382172416
Energy: 1.5109109090463222
Energy: 1.477958671578954
Energy: 1.790107734638612
Energy: 1.477958671578954
Energy: 1.8829087945792498
Energy: 1.5138886984001096
Energy: 1.5666774412284958
Energy: 1.5138886984065432
Energy: 1.6129038177045667
Energy: 1.5112562133656693
Energy: 1.5310781263742632
Energy: 1.5112562133656693
Energy: 1.5512792567877942
Energy: 1.5046355765013655
Energy: 1.775630726827605
Energy: 1.5046355765013655
Energy: 1.895078491743996
Energy: 1.504776798393644
Energy: 1.6806927696039897
Energy: 1.5047767983923575
Energy: 1.884764085950355
Energy: 1.5153004943835207
Energy: 1.678320747254377
Energy: 1.5153004943835207
Energy: 1.61178768109709
Energy: 1.6168610900806821
Energy: 1.958496685551433
Energy: 1.6168610900793958
Energy: 1.5215344902180383
Energy: 1.4994061898106188
Energy: 1.5241580638291703
Energy: 1.4994061898106188
Energy: 2.0721463216398828
Energy: 1.698844242940018
Energy: 1.5912537699875098
Energy: 1.6988442429387605
Energy: 1.5073756483879377
Energy: 1.5008626392941682
Energy: 1.7083524649370665
Energy: 1.5008626392941682
Energy: 1.546094484560383
Energy: 1.6021130654853668
Energy: 1.9162432142028898
Energy: 1.6021130654827935
Energy: 2.0329206621609277
Energy: 1.4938310496827722
Energy: 1.5073710578249706
Energy: 1.4938310496814857
Energy: 1.6262775424451026
Energy: 1.5118326864807308
Energy: 1.4872721364690578
Energy: 1.5118326864807308
Energy: 1.5677423843108331
Energy: 1.6173729376232926
Energy: 1.70838386427199
Energy: 1.617372937622006
Energy: 1.5503618072769576
Energy: 1.5105941268896927
Energy: 1.5205599875708373
Energy: 1.5105941268896927
Energy: 1.906536418853784
Energy: 1.5346166258412643
Energy: 1.6336775123804006
Energy: 1.5346166258425509
Energy: 1.8346595589943626
Energy: 1.639848022393326
Energy: 2.0158121143171885
Energy: 1.639848022393326
Energy: 1.8263798445910702
Energy: 1.602389898610241
Energy: 1.6501827119361618
Energy: 1.602389898610241
Energy: 1.617216175880549
Energy: 1.5071622310478459
Energy: 1.5218523831074802
Energy: 1.5071622310478459
Energy: 1.5327720974105987
Energy: 1.4549604148293585
Energy: 1.6101975690545758
Energy: 1.454960414828072
Energy: 1.634580077914649
Energy: 1.5464308706440029
Energy: 1.8616151026015366
Energy: 1.5464308706427163
Energy: 1.7723406445270244
Energy: 1.4783742788528562
Energy: 1.5086339977129184
Energy: 1.4783742788528562
Energy: 1.8843002597695186
Energy: 1.747712144287561
Energy: 1.8827567119006432
Energy: 1.747712144287561
Energy: 1.508587440794136
Energy: 1.4784213456984217
Energy: 1.7603819542931398
Energy: 1.4784213456984217

minimum gb energy = 1.454960414828072 eV
minimum distance =  2.24376939366212 Angstroms
sigma value = 29


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

Energy: 1.3340786048638476
Energy: 1.4775792572071194
Energy: 1.9316930596044732
Energy: 1.4775792572075679
Energy: 1.8576114333117522
Energy: 1.4194696243834226
Energy: 1.471654103706595
Energy: 1.419469624383871
Energy: 1.7600910023015546
Energy: 1.4158132778321713
Energy: 1.3726067326077496
Energy: 1.4158132778317232
Energy: 1.8686540991469167
Energy: 1.5216592177248074
Energy: 1.4602531319387724
Energy: 1.521659217724384
Energy: 1.8169675903564024
Energy: 1.520495100361899
Energy: 1.378890820366334
Energy: 1.520495100361899
Energy: 1.7612276469634431
Energy: 1.415685030681715
Energy: 1.3785643622424661
Energy: 1.4156850306821631
Energy: 1.518484729471586
Energy: 1.411662265304687
Energy: 2.127631687949423
Energy: 1.411662265304687
Energy: 1.3295095468501181
Energy: 1.4781833029925318
Energy: 2.1266416005710695
Energy: 1.4781833029921088
Energy: 1.8558072358290305
Energy: 1.5928812823991028
Energy: 1.4600491606554373
Energy: 1.5928812823986547

minimum gb energy = 1.3295095468501181 eV
minimum distance =  2.25139786312424 Angstroms
sigma value = 5


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

Energy: 1.7284328908321027
Energy: 1.4707531626194197
Energy: 2.047788971593898
Energy: 1.4707531626194197
Energy: 1.8444212313958754
Energy: 1.4962473600070194
Energy: 1.5737284939346583
Energy: 1.496247360014312
Energy: 1.424621997650843
Energy: 1.4329749195520256
Energy: 1.5729353472682037
Energy: 1.4329749195520256
Energy: 1.5343671173627098
Energy: 1.462282566918659
Energy: 1.6586978882036987
Energy: 1.4622825669210902
Energy: 1.3730077003958738
Energy: 1.4322929685101418
Energy: 1.4384349189103574
Energy: 1.4322929685101418
Energy: 1.5565213585853688
Energy: 1.4353026162995088
Energy: 1.4329145814714335
Energy: 1.4353026162982934
Energy: 1.5687970516690908
Energy: 1.4152756577006158
Energy: 1.5979120143966645
Energy: 1.4152756577006158
Energy: 1.569905379546008
Energy: 1.4437188296898027
Energy: 1.8273748001959842
Energy: 1.443718829691018
Energy: 1.937295469302194
Energy: 1.4185854375810076
Energy: 1.5693530441684114
Energy: 1.4185854375810076
Energy: 1.7909959926997545
Energy: 1.4123983563834774
Energy: 1.5670514043818977
Energy: 1.4123983563834774
Energy: 1.4893263351650419
Energy: 1.4264056701603016
Energy: 1.4850393855286146
Energy: 1.426405670159086
Energy: 1.489106714871788
Energy: 1.4278534207211715
Energy: 1.3926258930112743
Energy: 1.427853420722387
Energy: 1.7610718721554994
Energy: 1.473408566439691
Energy: 1.5130422939188444
Energy: 1.473408566439691
Energy: 1.436130735392447
Energy: 1.4150254535717732
Energy: 1.3902418163459602
Energy: 1.4150254535705578
Energy: 1.5160626825346357
Energy: 1.6070325483146273
Energy: 1.769243294003119
Energy: 1.6070325483146273
Energy: 1.827964272676572
Energy: 1.4640475664440855
Energy: 1.6202959605685692
Energy: 1.4640475664453008
Energy: 1.7604846775576073
Energy: 1.5956229848851262
Energy: 1.7703686305075197
Energy: 1.595622984883911
Energy: 1.5153923427987765
Energy: 1.4253729001774047
Energy: 1.5621089761365279
Energy: 1.4253729001774047
Energy: 1.6455285228395085
Energy: 1.4396204712807152
Energy: 1.5021419333988326
Energy: 1.4396204712782845
Energy: 1.4511395385098815
Energy: 1.4496940966226608
Energy: 1.429906264633608
Energy: 1.4496940966226608
Energy: 1.4608973463084525
Energy: 1.4357190840903065
Energy: 1.521944362920906
Energy: 1.4357190840890908
Energy: 1.5723607638578379
Energy: 1.4353395629460681
Energy: 1.4786196466158847
Energy: 1.4353395629460681
Energy: 1.4222153215298652
Energy: 1.4320388760905844
Energy: 1.4744922501492397
Energy: 1.4320388760893692
Energy: 1.7500976075832912
Energy: 1.4203885008061767
Energy: 1.9408974342570737
Energy: 1.4203885008037458
Energy: 1.7573233252932587
Energy: 1.428289220362322
Energy: 1.9981529557668596
Energy: 1.4282892203611066
Energy: 1.7485244045945554
Energy: 1.4286978289691177
Energy: 1.4784037263303966
Energy: 1.4286978289691177
Energy: 1.492108804701607
Energy: 1.4196472105627655
Energy: 1.474599976334844
Energy: 1.4196472105627655
Energy: 1.5186733177235439
Energy: 1.4651252712949887
Energy: 1.8663320709960143
Energy: 1.465125271292558
Energy: 1.451246716528186
Energy: 1.4381526824387432
Energy: 1.4302431754496607
Energy: 1.4381526824387432
Energy: 1.745387987140457
Energy: 1.5820674522983353
Energy: 1.5853861353730287
Energy: 1.5820674522983353
Energy: 1.5394937579950891
Energy: 1.4294169116202882
Energy: 1.562087855672717
Energy: 1.429416911619073
Energy: 1.6113792202374362
Energy: 1.455817905053463
Energy: 1.853559224614193
Energy: 1.455817905053463
Energy: 1.8974022682434306
Energy: 1.4528631613439502
Energy: 1.62180499699048
Energy: 1.4528631613439502

minimum gb energy = 1.3730077003958738 eV
minimum distance =  2.24571267996178 Angstroms
sigma value = 1


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

Energy: 1.7575454079203228
Energy: 1.4572906365855787
Energy: 1.957248657022966
Energy: 1.4572906365855787
Energy: 1.5897335367961105
Energy: 1.4269157491227784
Energy: 1.5234700075005037
Energy: 1.4269157491227784
Energy: 1.4707159654870616
Energy: 1.410036321579506
Energy: 1.6733897229339265
Energy: 1.410036321579506
Energy: 1.5223497676474003
Energy: 1.3858645855200677
Energy: 1.6186317825706853
Energy: 1.3858645855200677
Energy: 1.4077965225399998
Energy: 1.3398273555825815
Energy: 1.3844357933823737
Energy: 1.3398273555825815
Energy: 1.4319253430740844
Energy: 1.382689851823316
Energy: 1.4218616146880634
Energy: 1.382689851823316
Energy: 1.5841785774576755
Energy: 1.3856022880384609
Energy: 1.5887518759805754
Energy: 1.3856022880401413
Energy: 1.653982582396011
Energy: 1.3745247513496974
Energy: 1.677066832322809
Energy: 1.3745247513496974
Energy: 1.6327335699875054
Energy: 1.3335896272371353
Energy: 1.4393092482054461
Energy: 1.3335896272371353
Energy: 1.6327335699875054
Energy: 1.333635937633389
Energy: 1.4391333484612892
Energy: 1.3336359376300282
Energy: 1.5765903960469698
Energy: 1.3848568478175387
Energy: 1.677066832322809
Energy: 1.3848568478175387
Energy: 1.661866482603567
Energy: 1.3752648660373654
Energy: 1.5887518759788948
Energy: 1.3752648660373654
Energy: 1.4576917567537462
Energy: 1.4118507287870004
Energy: 1.3762188270421027
Energy: 1.4118507287870004
Energy: 1.409923001633475
Energy: 1.3432969284454515
Energy: 1.3828373461371553
Energy: 1.3432969284471319
Energy: 1.4077359664931075
Energy: 1.3852041142978113
Energy: 1.63542650434858
Energy: 1.3852041142978113
Energy: 1.4707159654870616
Energy: 1.4091205318674696
Energy: 1.672951160553874
Energy: 1.4091205318674696
Energy: 1.5776061891674351
Energy: 1.5172025371845108
Energy: 1.5729111988241329
Energy: 1.5172025371845108
Energy: 1.7575454079220032
Energy: 1.4572906365855787
Energy: 1.9572486570212855
Energy: 1.457290636583898
Energy: 1.5897335367961105
Energy: 1.4269157491227784
Energy: 1.5234700074988228
Energy: 1.4269157491227784
Energy: 1.4707159654870616
Energy: 1.410036321579506
Energy: 1.6733897229339265
Energy: 1.410036321579506
Energy: 1.5223497676474003
Energy: 1.3858645855200677
Energy: 1.6186317825706853
Energy: 1.3858645855200677
Energy: 1.4077965225399998
Energy: 1.3398273555825815
Energy: 1.384435793380693
Energy: 1.3398273555825815
Energy: 1.4319253430757648
Energy: 1.382689851823316
Energy: 1.4218616146880634
Energy: 1.382689851823316
Energy: 1.5841785774576755
Energy: 1.3856022880401413
Energy: 1.5887518759805754
Energy: 1.3856022880401413

minimum gb energy = 1.3335896272371353 eV
minimum distance =  2.25080548788392 Angstroms
sigma value = 17


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

Energy: 1.871762020045152
Energy: 1.3707408524801197
Energy: 1.8869887270044556
Energy: 1.3707408524811586
Energy: 1.6746308972522062
Energy: 1.4820229531676326
Energy: 1.6524832986871707
Energy: 1.4820229531676326
Energy: 1.3608088919991368
Energy: 1.3567005582125418
Energy: 1.567377592743856
Energy: 1.3567005582135805
Energy: 1.4426718782417998
Energy: 1.4019638367395237
Energy: 1.6387814335063495
Energy: 1.4019638367405622
Energy: 1.4896188268522255
Energy: 1.361200221384511
Energy: 1.4324411320804107
Energy: 1.361200221384511
Energy: 1.5317610904220387
Energy: 1.410797728239737
Energy: 1.4586205101857737
Energy: 1.4107977282407755
Energy: 1.4371862448889807
Energy: 1.3716291104080836
Energy: 1.3624531001371283
Energy: 1.3716291104070448
Energy: 1.4616631218104474
Energy: 1.3652229264496154
Energy: 1.3996405571907546
Energy: 1.3652229264485767
Energy: 1.7809629830958056
Energy: 1.3670988068699885
Energy: 1.662140815488539
Energy: 1.3670988068710273
Energy: 1.7321427278133728
Energy: 1.3571128526683771
Energy: 1.660475300147772
Energy: 1.3571128526694156
Energy: 1.5093293495712083
Energy: 1.3642270494426403
Energy: 1.665102436772301
Energy: 1.3642270494405628
Energy: 1.507380697394603
Energy: 1.3698382709961232
Energy: 1.5797695520760848
Energy: 1.3698382709950847
Energy: 1.4447309353343132
Energy: 1.3652527885792316
Energy: 1.4475118694163318
Energy: 1.3652527885792316
Energy: 1.378469538496099
Energy: 1.3652027263016016
Energy: 1.4522950315164052
Energy: 1.3652027263026403
Energy: 1.385149504635703
Energy: 1.3733228712319754
Energy: 1.4807622867236803
Energy: 1.3733228712319754
Energy: 1.3846915460251283
Energy: 1.35852232886484
Energy: 1.4346157728234716
Energy: 1.35852232886484
Energy: 1.633741638436985
Energy: 1.3860806679273276
Energy: 1.4815405031320714
Energy: 1.3860806679283662
Energy: 1.5874945643643694
Energy: 1.3580644896739467
Energy: 1.5788640633379765
Energy: 1.358064489668753
Energy: 1.6081798717315745
Energy: 1.5188183956709045
Energy: 1.6353512742593042
Energy: 1.518818395668827
Energy: 1.7522519377842911
Energy: 1.363890876154238
Energy: 1.5885245161968258
Energy: 1.3638908761531994
Energy: 1.5694843875477562
Energy: 1.5749263636992634
Energy: 1.7185304259083762
Energy: 1.5749263636982247
Energy: 1.4845328548925258
Energy: 1.3482601758762545
Energy: 1.3504928375154897
Energy: 1.3482601758762545
Energy: 1.560843452292691
Energy: 1.3838207310321473
Energy: 1.5131535115645989
Energy: 1.3838207310321473
Energy: 1.4081533789215932
Energy: 1.3691473014953768
Energy: 1.3743218888619981
Energy: 1.3691473014964153
Energy: 1.4448482797919604
Energy: 1.3770548046649658
Energy: 1.4936030070713089
Energy: 1.377054804663927
Energy: 1.3740996063399606
Energy: 1.3583097877755061
Energy: 1.4352532761723726
Energy: 1.358309787776545
Energy: 1.6729489016764696
Energy: 1.3534435529559854
Energy: 1.509978016862804
Energy: 1.3534435529570241
Energy: 1.6625556705414213
Energy: 1.376750305613968
Energy: 1.8958159595045803
Energy: 1.3767503056150068
Energy: 1.6884531398509717
Energy: 1.4168282000899923
Energy: 1.8833366179011524
Energy: 1.4168282000899923
Energy: 1.3612798416968697
Energy: 1.3603911737230696
Energy: 1.4562143136065386
Energy: 1.360391173731379
Energy: 1.3902397719973265
Energy: 1.3636589719501886
Energy: 1.510003809157249
Energy: 1.363658971951227
Energy: 1.4046902163601442
Energy: 1.3825623785280696
Energy: 1.4301924450202472
Energy: 1.3825623785291083
Energy: 1.4138591891898313
Energy: 1.3739825756336264
Energy: 1.356082604423861
Energy: 1.3739825756325876
Energy: 1.5566593546417378
Energy: 1.353361841212992
Energy: 1.3678139667781768
Energy: 1.353361841212992
Energy: 1.4654670376862855
Energy: 1.348471513174295
Energy: 1.4029525565989673
Energy: 1.3484715131753338
Energy: 1.6034568959619775
Energy: 1.3767568779980537
Energy: 1.7039905943307423
Energy: 1.3767568779959762
Energy: 1.8199690174294536
Energy: 1.3661115044913144
Energy: 1.5875751733820798
Energy: 1.3661115044913144
Energy: 1.6419837404502384
Energy: 1.390990548066681
Energy: 1.694550008004835
Energy: 1.3909905480646039

minimum gb energy = 1.3482601758762545 eV
minimum distance =  2.29589883157455 Angstroms
sigma value = 89


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

Energy: 1.5200624145983512
Energy: 1.2817676684542092
Energy: 1.6346057849658513
Energy: 1.281767668454487
Energy: 1.4378124183017669
Energy: 1.444490932528887
Energy: 1.565399437269468
Energy: 1.4444909325286401
Energy: 1.4147361341229754
Energy: 1.245418586652412
Energy: 1.432802866637236
Energy: 1.24541858665269
Energy: 1.3635146485994525
Energy: 1.28618014658119
Energy: 1.5658715695812986
Energy: 1.2861801465801088
Energy: 1.468681487859426
Energy: 1.2876401901900196
Energy: 1.3021152454703417
Energy: 1.2876401901905756
Energy: 1.3601375574951866
Energy: 1.4139561792653017
Energy: 1.4205791801027126
Energy: 1.4139561792658577
Energy: 1.3619626447466673
Energy: 1.2498862581573449
Energy: 1.32249597203275
Energy: 1.24988625815787
Energy: 1.359917968606909
Energy: 1.2881501670851387
Energy: 1.5078515384470028
Energy: 1.2881501670848607
Energy: 1.414512306744154
Energy: 1.2862901435834702
Energy: 1.3110642124528495
Energy: 1.2862901435831924
Energy: 1.640889283440369
Energy: 1.2874070425749646
Energy: 1.3762604577906998
Energy: 1.2874070425749646
Energy: 1.487765799471596
Energy: 1.2696954410522205
Energy: 1.5078741484946838
Energy: 1.2696954410524985
Energy: 1.4873014037672323
Energy: 1.2685911119645674
Energy: 1.5079457146811341
Energy: 1.2685911119648452
Energy: 1.4156269770927368
Energy: 1.2859717308213279
Energy: 1.3112870659287428
Energy: 1.2859717308213279
Energy: 1.4464771207587692
Energy: 1.2878042968010601
Energy: 1.3763399953265292
Energy: 1.2878042968013381
Energy: 1.3610122309621704
Energy: 1.2876960951610936
Energy: 1.385998891781408
Energy: 1.2876960951610936

minimum gb energy = 1.245418586652412 eV
minimum distance =  2.26205405388312 Angstroms
sigma value = 13


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

Energy: 1.3673964889600398
Energy: 1.2041740104708099
Energy: 1.493717402837565
Energy: 1.204174010471949
Energy: 1.3611325110294474
Energy: 1.420980235867639
Energy: 1.3677798230638807
Energy: 1.4209802358687782
Energy: 1.303011849018109
Energy: 1.193397805887654
Energy: 1.4875180751985198
Energy: 1.193397805888793
Energy: 1.3400937095800607
Energy: 1.2042006186860643
Energy: 1.3717206326317875
Energy: 1.2042006186906207
Energy: 1.252834953757957
Energy: 1.2171072519261241
Energy: 1.2622209044759856
Energy: 1.217107251924985
Energy: 1.4266639069439884
Energy: 1.3160010968686657
Energy: 1.3273825834790944
Energy: 1.316001096870944
Energy: 1.2745410733050082
Energy: 1.196987330043624
Energy: 1.313388257611055
Energy: 1.196987330043624
Energy: 1.2823435883730288
Energy: 1.2295779782040044
Energy: 1.2756574227924948
Energy: 1.229577978202865
Energy: 1.2772598758963294
Energy: 1.2181804802640335
Energy: 1.247557215268118
Energy: 1.2181804802663116
Energy: 1.5162683584330434
Energy: 1.223091727345124
Energy: 1.38010180377598
Energy: 1.223091727345124
Energy: 1.3593281826768946
Energy: 1.197115763621923
Energy: 1.2976764405864836
Energy: 1.1971157636150884
Energy: 1.3692334112050593
Energy: 1.1888587037293836
Energy: 1.5355247001894037
Energy: 1.1888587037293836
Energy: 1.3565466477932708
Energy: 1.2073253374019304
Energy: 1.4318900380132484
Energy: 1.2073253374019304
Energy: 1.3694820972873762
Energy: 1.2006616101738736
Energy: 1.509151962048803
Energy: 1.200661610175013
Energy: 1.3597916812579816
Energy: 1.1936162369752996
Energy: 1.295036503823896
Energy: 1.1936162369764387
Energy: 1.369898714445222
Energy: 1.1892414265495217
Energy: 1.3475901998957687
Energy: 1.1892414265506608
Energy: 1.3571735486829903
Energy: 1.2188694168950465
Energy: 1.2471089414502154
Energy: 1.2188694168939074
Energy: 1.26112380508533
Energy: 1.2216502256172792
Energy: 1.380752445361424
Energy: 1.2216502256172792
Energy: 1.2743801246320599
Energy: 1.195988311330882
Energy: 1.2816100186811676
Energy: 1.195988311329743
Energy: 1.281652978649574
Energy: 1.195907650684451
Energy: 1.2743477480216274
Energy: 1.1959076506855904
Energy: 1.380712403787254
Energy: 1.221835544948472
Energy: 1.2604577873225178
Energy: 1.2218355449473328
Energy: 1.2471926622065297
Energy: 1.2187595697349836
Energy: 1.3571735486841292
Energy: 1.218759569740679
Energy: 1.3475901998957687
Energy: 1.1892534210916987
Energy: 1.3700338900134255
Energy: 1.1892534210894206
Energy: 1.295036503825035
Energy: 1.1936135411439308
Energy: 1.3590118461358447
Energy: 1.1936135411439308
Energy: 1.5098735982467368
Energy: 1.2008734553449407
Energy: 1.3695094839450035
Energy: 1.2008734553426623
Energy: 1.4323603022363844
Energy: 1.2074032568882718
Energy: 1.3565466477909927
Energy: 1.2074032568894109
Energy: 1.5354268137152811
Energy: 1.193144449383062
Energy: 1.3691868861619425
Energy: 1.193144449381923
Energy: 1.2976764405876229
Energy: 1.1972218889337114
Energy: 1.3602241574214557
Energy: 1.1972218889325723
Energy: 1.3800771042838338
Energy: 1.2230516590389318
Energy: 1.5163433268393929
Energy: 1.2230516590389318
Energy: 1.2475831658336396
Energy: 1.218228470195645
Energy: 1.2769650805607726
Energy: 1.218228470195645
Energy: 1.276037324418177
Energy: 1.2297600476835995
Energy: 1.2792070334301715
Energy: 1.2297600476835995
Energy: 1.3134143072004247
Energy: 1.1968554557141662
Energy: 1.2745360090359306
Energy: 1.1968554557141662
Energy: 1.3275460531676335
Energy: 1.3281657621936174
Energy: 1.4266796180115113
Energy: 1.3281657621936174
Energy: 1.2618980831064686
Energy: 1.2171066466302758
Energy: 1.2523257464766475
Energy: 1.2171066466245803
Energy: 1.3718937161119626
Energy: 1.2041713670992626
Energy: 1.3405472008973705
Energy: 1.2041713670981236

minimum gb energy = 1.1888587037293836 eV
minimum distance =  2.27301307830005 Angstroms
sigma value = 37


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

Energy: 1.399204458311467
Energy: 1.1151431897592012
Energy: 1.4388713005455105
Energy: 1.1151431897590005
Energy: 1.413157160623916
Energy: 1.2671918697160875
Energy: 1.3291653477532304
Energy: 1.2671918697162878
Energy: 1.2760664293182495
Energy: 1.107270753932443
Energy: 1.3904839969764151
Energy: 1.107270753932443
Energy: 1.3701482081347736
Energy: 1.2728468005618137
Energy: 1.3292770972668717
Energy: 1.2728468006012097
Energy: 1.252909691675255
Energy: 1.1070005975375992
Energy: 1.3071193219015784
Energy: 1.1070005975377997
Energy: 1.3709127191572006
Energy: 1.1353656026544707
Energy: 1.2803743819678368
Energy: 1.1353656026546712
Energy: 1.211882522904415
Energy: 1.1020804008696377
Energy: 1.3168075938288617
Energy: 1.1020804008710186
Energy: 1.2954481318389865
Energy: 1.5911043681172303
Energy: 1.3098845198012585
Energy: 1.5911043681172303
Energy: 1.218121622271496
Energy: 1.1020347799531849
Energy: 1.2837512180132582
Energy: 1.1020347799535635
Energy: 1.3732343740802044
Energy: 1.136812592027908
Energy: 1.2860416803496533
Energy: 1.1368125920281085
Energy: 1.2462512192088133
Energy: 1.0962680862324485
Energy: 1.303980222235988
Energy: 1.0962680862326488
Energy: 1.2609791869549027
Energy: 1.1372411074724251
Energy: 1.413617362236436
Energy: 1.1372411074726254
Energy: 1.2976278600063074
Energy: 1.101854053548846
Energy: 1.3360885919714343
Energy: 1.1018540535484451
Energy: 1.2620739511004888
Energy: 1.0981402248467094
Energy: 1.334910718920088
Energy: 1.0981402248469099
Energy: 1.348240637891877
Energy: 1.2148672956838569
Energy: 1.3046900672110358
Energy: 1.2148672956842577
Energy: 1.3506817035037093
Energy: 1.1266164917749255
Energy: 1.2994414612769059
Energy: 1.126616491774324
Energy: 1.27633786434816
Energy: 1.1004413796974548
Energy: 1.3349551286176349
Energy: 1.100441379696475
Energy: 1.2929535855319694
Energy: 1.101681345146214
Energy: 1.3352689968111013
Energy: 1.101681345146793
Energy: 1.2449936545968783
Energy: 1.0960564963955866
Energy: 1.3050616348075328
Energy: 1.096056496395787
Energy: 1.2639173162105277
Energy: 1.1375847890875084
Energy: 1.3055860753457893
Energy: 1.1375847890875084

minimum gb energy = 1.0960564963955866 eV
minimum distance =  2.26131495406164 Angstroms
sigma value = 25


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

Energy: 1.2859029823731247
Energy: 1.0062150524930722
Energy: 1.2675081273976778
Energy: 1.0062150524930722
Energy: 1.1950326543270886
Energy: 1.395478857320956
Energy: 1.179030306125715
Energy: 1.3954788573224863
Energy: 1.1396333558019083
Energy: 0.9926421478339422
Energy: 1.2679200332676503
Energy: 0.9926421478339422
Energy: 1.186007067490875
Energy: 1.08923154083085
Energy: 1.256684447262864
Energy: 1.0892315408293196
Energy: 1.1833854983850414
Energy: 0.9852767457307514
Energy: 1.1444483831364483
Energy: 0.9852767457292212
Energy: 1.1861957418657396
Energy: 1.2239662925033792
Energy: 1.2041365381238593
Energy: 1.2239662925018489
Energy: 1.096770253788259
Energy: 0.9850861134867667
Energy: 1.191733469563233
Energy: 0.9850861134867667
Energy: 1.200001049220013
Energy: 1.0044467926556249
Energy: 1.2362020416666708
Energy: 1.0044467926556249
Energy: 1.1211811152134594
Energy: 0.9850780331303736
Energy: 1.1438441662516403
Energy: 0.9850780331303736
Energy: 1.223427976221956
Energy: 1.485589910622621
Energy: 1.1651439873025953
Energy: 1.485589910622621
Energy: 1.1423491029166255
Energy: 0.9854013047525433
Energy: 1.1506661164971455
Energy: 0.9854013047540736
Energy: 1.1974567402265157
Energy: 1.0047749087937994
Energy: 1.2040272609940905
Energy: 1.0047749087937994
Energy: 1.1048213086625251
Energy: 0.9850577103218485
Energy: 1.1682226543087242
Energy: 0.9850577103218485
Energy: 1.2713633620267468
Energy: 1.005500081007831
Energy: 1.1710121791175927
Energy: 1.005500081007831
Energy: 1.1873601055831842
Energy: 0.9852158591540641
Energy: 1.1511992087941827
Energy: 0.9852158591540641
Energy: 1.2010151143123606
Energy: 0.9852607610647991
Energy: 1.213046365856546
Energy: 0.9852607610663293
Energy: 1.1360031389997218
Energy: 1.0718479100986527
Energy: 1.231815647452848
Energy: 1.0718479100986527
Energy: 1.1373503105287441
Energy: 1.021867552668007
Energy: 1.1917484269994496
Energy: 1.021867552668007
Energy: 1.2268794758411223
Energy: 1.0928322103847625
Energy: 1.1473838501499767
Energy: 1.0928322103862929
Energy: 1.207454001268375
Energy: 1.0139216967615696
Energy: 1.1804068592716552
Energy: 1.0139216967600393
Energy: 1.1347361819095863
Energy: 1.0720115085429727
Energy: 1.2318491534426137
Energy: 1.0720115085429727
Energy: 1.1659862422485905
Energy: 1.00725834582655
Energy: 1.1925354834821287
Energy: 1.0072583458250197
Energy: 1.1871301660032212
Energy: 0.9852157608429527
Energy: 1.147253237220034
Energy: 0.9852157608429527
Energy: 1.1842016298738198
Energy: 0.9858444787683557
Energy: 1.2031086749721145
Energy: 0.9858444787698861
Energy: 1.099589212736309
Energy: 0.9848889833146984
Energy: 1.1681921419991477
Energy: 0.984888983313168
Energy: 1.186859971924527
Energy: 1.0063351554050721
Energy: 1.2056717383957865
Energy: 1.0063351554066027

minimum gb energy = 0.984888983313168 eV
minimum distance =  2.28523389892738 Angstroms
sigma value = 41


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

Energy: 1.2439822004361982
Energy: 0.9297056323930324
Energy: 1.205982083384762
Energy: 0.9297056323917778
Energy: 1.0971433255520793
Energy: 1.2423662653290104
Energy: 1.0864322752459026
Energy: 1.242366265330265
Energy: 1.1138284569016528
Energy: 0.9101484477386342
Energy: 1.1787519352094702
Energy: 0.9101484477386342
Energy: 1.0841644956113452
Energy: 1.0556856630352527
Energy: 1.0872748052783694
Energy: 1.0556856630352527
Energy: 1.1680418668568449
Energy: 0.9005352219003424
Energy: 1.0331561970353569
Energy: 0.900535221899088
Energy: 1.0837859925839233
Energy: 1.0553525326200568
Energy: 1.0837370277553209
Energy: 1.055352532612529
Energy: 1.072627853860758
Energy: 0.8973055826569026
Energy: 1.11060469966387
Energy: 0.8973055826556479
Energy: 1.0945141967540553
Energy: 1.0120411872566182
Energy: 1.0839059791657242
Energy: 1.0120411872541089
Energy: 1.112839658561351
Energy: 0.8969851580763363
Energy: 1.058941385849225
Energy: 0.8969851580763363
Energy: 1.1322278748679533
Energy: 1.4229008009406772
Energy: 1.09996971104449
Energy: 1.4229008009419317
Energy: 1.0790701757122436
Energy: 0.9062962450904845
Energy: 1.0664975286223037
Energy: 0.9062962450904845
Energy: 1.0831881212763188
Energy: 1.413503648568647
Energy: 1.1095404637192328
Energy: 1.413503648568647
Energy: 1.0810503025381695
Energy: 0.8973236412776764
Energy: 1.0757469826881305
Energy: 0.8973236412764218
Energy: 1.0938367081960334
Energy: 0.9085203137641705
Energy: 1.105893816746911
Energy: 0.9085203137641705
Energy: 1.0960422547500452
Energy: 0.8976194436190497
Energy: 1.0611749669965485
Energy: 0.8976194436190497
Energy: 1.0913521186795947
Energy: 0.9102506900270202
Energy: 1.1411281262927708
Energy: 0.9102506900270202
Energy: 1.1213228408668445
Energy: 0.8971280568151339
Energy: 1.0877129439839412
Energy: 0.8971280568151339
Energy: 1.0802738102342846
Energy: 0.8976780700876984
Energy: 1.0884353744492719
Energy: 0.8976780700864436
Energy: 1.140317218236659
Energy: 0.9001169320728415
Energy: 1.044834381793611
Energy: 0.9001169320740963
Energy: 1.0909779745661612
Energy: 0.9934908917563691
Energy: 1.089536111176078
Energy: 0.9934908917576236
Energy: 1.1097634841301656
Energy: 0.9806619059767292
Energy: 1.1223751291140958
Energy: 0.9806619059767292
Energy: 1.0903064650385799
Energy: 0.9354397809397007
Energy: 1.0825690896744398
Energy: 0.9354397809397007
Energy: 1.2052536620705292
Energy: 0.9976832236815469
Energy: 1.0364735935285674
Energy: 0.9976832236815469
Energy: 1.1005515693158243
Energy: 0.9313135114181746
Energy: 1.0816395331719286
Energy: 0.9313135114194293
Energy: 1.0353405904608897
Energy: 0.9805800827726731
Energy: 1.1213399394726835
Energy: 0.9805800827726731
Energy: 1.080227046672837
Energy: 0.9087200322409105
Energy: 1.0825681305613526
Energy: 0.9087200322396559
Energy: 1.1402792212086221
Energy: 0.9669062423695022
Energy: 1.0365663680496284
Energy: 0.9669062423695022
Energy: 1.0909625737964002
Energy: 0.9078575026640014
Energy: 1.092568871398039
Energy: 0.9078575026614923
Energy: 1.0705901220628629
Energy: 0.8970180281999361
Energy: 1.0879096393395362
Energy: 0.8970180281999361
Energy: 1.0926729984980332
Energy: 0.8976527915416044
Energy: 1.0881563084547075
Energy: 0.8976527915416044
Energy: 1.095964949179907
Energy: 0.897410829866146
Energy: 1.0564882215671472
Energy: 0.897410829866146
Energy: 1.0904440652222098
Energy: 0.9113622682383139
Energy: 1.1225235084839347
Energy: 0.9113622682395687

minimum gb energy = 0.8969851580763363 eV
minimum distance =  2.2884780048921 Angstroms
sigma value = 15


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

Energy: 1.110486361862978
Energy: 0.8546828171337795
Energy: 1.094171611319817
Energy: 0.854682817136968
Energy: 1.0151644513744256
Energy: 1.135665340448654
Energy: 1.006132931418129
Energy: 1.1356653404497168
Energy: 1.0181902818984068
Energy: 0.8468777807990657
Energy: 1.0635168286713144
Energy: 0.8468777807980027
Energy: 1.0005334129398706
Energy: 0.9659298702892241
Energy: 1.0056287519460965
Energy: 0.9659298702913497
Energy: 1.0719392382573187
Energy: 0.835832165918479
Energy: 0.9485249748565493
Energy: 0.8358321659174162
Energy: 1.0009469398667707
Energy: 0.923986733251406
Energy: 0.9993087171181468
Energy: 0.9239867332460919
Energy: 0.9794448208418194
Energy: 0.8288142638514517
Energy: 1.0252607544507937
Energy: 0.8288142638514517
Energy: 1.0003004587620623
Energy: 0.9232570067116707
Energy: 1.000012986100648
Energy: 0.9232570067127335
Energy: 1.0337905095687303
Energy: 0.8271331421619542
Energy: 0.9727043559568275
Energy: 0.8271331421619542
Energy: 1.0007410668680885
Energy: 1.3367695831360784
Energy: 1.0076213913725829
Energy: 1.3367695831360784
Energy: 1.00104268616543
Energy: 0.8268927921691299
Energy: 1.0132011954329123
Energy: 0.8268927921691299
Energy: 1.0099775460594689
Energy: 1.3657026958435856
Energy: 1.0380007210375368
Energy: 1.3657026958435856
Energy: 1.0077124117642144
Energy: 0.8266950772770139
Energy: 0.988514910476183
Energy: 0.8266950772780768
Energy: 1.0165367827337441
Energy: 1.3616068516911164
Energy: 1.0101286553917437
Energy: 1.3616068516911164
Energy: 1.0107993157910655
Energy: 0.8269190701818829
Energy: 0.9971680884445573
Energy: 0.8269190701818829
Energy: 1.010562595285815
Energy: 1.087553910670709
Energy: 1.0078007610867004
Energy: 1.0875539106696461
Energy: 1.0013621828132675
Energy: 0.827167795948626
Energy: 1.0048799915283548
Energy: 0.8271677959443747
Energy: 1.042037789755132
Energy: 0.8361074173582665
Energy: 1.0033723093425648
Energy: 0.8361074173593294
Energy: 1.0145366083427634
Energy: 0.8266807830541698
Energy: 0.9908285856617723
Energy: 0.8266807830541698
Energy: 1.0039955920475896
Energy: 0.8429478861720048
Energy: 0.996294662448029
Energy: 0.8429478861698793
Energy: 1.0142873258970415
Energy: 0.8279482668785624
Energy: 1.0259704459071184
Energy: 0.8279482668785624
Energy: 1.000204041215011
Energy: 0.9178745082070381
Energy: 1.005071983608597
Energy: 0.9178745082059753
Energy: 1.04575851975172
Energy: 0.8938796146009691
Energy: 0.9599318031761043
Energy: 0.8938796146009691
Energy: 1.0022340698856391
Energy: 0.9195427516591148
Energy: 1.001187800870322
Energy: 0.9195427516591148
Energy: 1.0153710644643978
Energy: 0.904546926438041
Energy: 1.0621971861467268
Energy: 0.904546926438041
Energy: 0.9987917464021245
Energy: 0.9132125161698657
Energy: 1.012551689170259
Energy: 0.9132125161709286
Energy: 1.0622532665357953
Energy: 0.919916644949164
Energy: 0.9508945635419237
Energy: 0.9199166449512897
Energy: 1.0087349619893256
Energy: 0.867210495937799
Energy: 1.0007242657816997
Energy: 0.867210495937799
Energy: 1.0238205202508828
Energy: 0.9046078900311044
Energy: 1.06234821437112
Energy: 0.9046078900311044
Energy: 1.0001282218375138
Energy: 0.8544140766047282
Energy: 1.0124942518010256
Energy: 0.8544140766036654
Energy: 1.0459988814518242
Energy: 0.8938908030753504
Energy: 0.9508555894334307
Energy: 0.8938908030742875
Energy: 1.0022583827502325
Energy: 0.8472230064711779
Energy: 0.9957822406030652
Energy: 0.8472230064722409
Energy: 0.9780941993537149
Energy: 0.8280200038908567
Energy: 1.0258548589137886
Energy: 0.8280200038929825
Energy: 1.0040213556574025
Energy: 0.8339385776117626
Energy: 1.0060082548480331
Energy: 0.8339385776117626
Energy: 1.0143204994056703
Energy: 0.8269180150185717
Energy: 0.981885953348042
Energy: 0.8269180150196345
Energy: 1.0069679324954233
Energy: 0.8423869812255389
Energy: 1.0073880634882344
Energy: 0.8423869812266017
Energy: 0.9955799387474492
Energy: 0.8271171896467012
Energy: 0.9969509171614983
Energy: 0.8271171896467012

minimum gb energy = 0.8266807830541698 eV
minimum distance =  2.29280012690295 Angstroms
sigma value = 85


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

Energy: 1.0518986410186133
Energy: 0.8486634015744027
Energy: 0.9533242657038001
Energy: 0.8486634015744027
Energy: 0.9059568561642397
Energy: 1.0379029887555449
Energy: 0.9145548759752118
Energy: 1.037902988754623
Energy: 0.8521712370498582
Energy: 0.7971943476332286
Energy: 1.00831594621041
Energy: 0.7971943476323068
Energy: 0.8998188422252882
Energy: 0.8596479544885383
Energy: 0.9147225131440448
Energy: 0.8596479544876164
Energy: 0.9952201468077737
Energy: 0.7642342127813652
Energy: 0.8564173244005301
Energy: 0.7642342127813652
Energy: 0.9000681391005875
Energy: 0.8171466241352706
Energy: 0.9134994690087803
Energy: 0.817146624133427
Energy: 0.8900734699162229
Energy: 0.8140644872252383
Energy: 0.9687262493247751
Energy: 0.8140644872252383
Energy: 0.9163088822472741
Energy: 0.8340022689043348
Energy: 0.9135336869384754
Energy: 0.8340022689043348
Energy: 0.9558831751475279
Energy: 0.7478421528060403
Energy: 0.9180764505912061
Energy: 0.747842152806962
Energy: 0.9125107550597148
Energy: 0.8469753460169701
Energy: 0.9211277030600373
Energy: 0.8469753460160483
Energy: 0.8939232653443663
Energy: 0.7474629494297399
Energy: 0.9407236287937281
Energy: 0.7474629494297399
Energy: 0.9320013541321016
Energy: 1.2735070405942919
Energy: 0.9224365460392113
Energy: 1.2735070405942919
Energy: 0.9338929708184192
Energy: 0.747558294745408
Energy: 0.9205541632220892
Energy: 0.747558294745408
Energy: 0.9374772020280717
Energy: 0.7843609360386604
Energy: 0.9331940582699257
Energy: 0.7843609360386604
Energy: 0.8989645056794788
Energy: 0.7741913518180462
Energy: 0.9403711441803334
Energy: 0.7741913518171243
Energy: 0.9292290314886367
Energy: 1.311599133265921
Energy: 0.9383658342575465
Energy: 1.3115991332649992
Energy: 0.9154575034486523
Energy: 0.7742255062597586
Energy: 0.9237342457977112
Energy: 0.7742255062588367
Energy: 0.935656901717675
Energy: 1.0099824512523805
Energy: 0.9343224333972335
Energy: 1.0099824512431623
Energy: 0.9188718385762957
Energy: 0.7471447879668808
Energy: 0.9285870520844828
Energy: 0.7471447879668808
Energy: 0.9229103057642118
Energy: 0.7581048096404657
Energy: 0.9541290267361546
Energy: 0.7581048096404657
Energy: 0.9074247621877365
Energy: 0.7744333055938036
Energy: 0.9371167263191927
Energy: 0.7744333055947253
Energy: 0.9141606284921534
Energy: 0.7570713511725363
Energy: 0.9228530563335176
Energy: 0.7570713511771454
Energy: 0.9476919283026127
Energy: 0.7735016672353084
Energy: 0.943435978478624
Energy: 0.7735016672353084
Energy: 0.922604107083095
Energy: 0.8388119111658269
Energy: 0.9021305287704139
Energy: 0.8388119111667486
Energy: 0.926001521747741
Energy: 0.8404357574308823
Energy: 0.9626044639335782
Energy: 0.8404357574308823
Energy: 0.9016532483077107
Energy: 0.860377704088895
Energy: 0.9134436617229341
Energy: 0.860377704088895
Energy: 0.9809767474877922
Energy: 0.8401022078399409
Energy: 0.8656585958271235
Energy: 0.8401022078399409
Energy: 0.9266419987383913
Energy: 0.8222660889402759
Energy: 0.8886666463872908
Energy: 0.8222660889402759
Energy: 0.8512398105087154
Energy: 0.8196082753009244
Energy: 0.9806223795441027
Energy: 0.8196082753000027
Energy: 0.9019946730141123
Energy: 0.7527783001951427
Energy: 0.9146851508998183
Energy: 0.7527783001951427
Energy: 1.014622201802024
Energy: 0.8708468496843812
Energy: 0.8580773173348297
Energy: 0.8708468496843812
Energy: 0.9426629034333106
Energy: 0.8578309777265822
Energy: 0.8885008351079073
Energy: 0.8578309777265822
Energy: 0.854734306994574
Energy: 0.8708417242774307
Energy: 0.9812033399831556
Energy: 0.870841724276509
Energy: 0.9017296088445554
Energy: 0.740933726078613
Energy: 0.9146235976825582
Energy: 0.7409337260795347
Energy: 0.9818544458491804
Energy: 0.8399293925021525
Energy: 0.8581248670560883
Energy: 0.8399293925021525
Energy: 0.9267667680799906
Energy: 0.7511202876502375
Energy: 0.9017995961062681
Energy: 0.751120287652081
Energy: 0.8889247152877247
Energy: 0.84096455028252
Energy: 0.9624221260167836
Energy: 0.8409645502815983
Energy: 0.9128767124836743
Energy: 0.7404257403276248
Energy: 0.9134365828212474
Energy: 0.7404257403285467
Energy: 0.9476993786132392
Energy: 0.7735009935130557
Energy: 0.9202047010223106
Energy: 0.7735009935130557
Energy: 0.9254824336372429
Energy: 0.7437873039930656
Energy: 0.9254598952526241
Energy: 0.7437873039930656
Energy: 0.8964252073613167
Energy: 0.7744427111590003
Energy: 0.9409775864271518
Energy: 0.7744427111590003
Energy: 0.9324007953972199
Energy: 0.7569830985749105
Energy: 0.9256265795285863
Energy: 0.7569830985739887
Energy: 0.9212756417916422
Energy: 0.7449678130850501
Energy: 0.9190969902398204
Energy: 0.744967813085972

minimum gb energy = 0.7404257403276248 eV
minimum distance =  2.29374465630045 Angstroms
sigma value = 113


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

Energy: 0.01519561789869438
Energy: 0.015442660232656042
Energy: 1.6130525225885193
Energy: 0.015442660232656042
Energy: 0.0160668617090576
Energy: 0.8034499804563726
Energy: 0.01606686170838833
Energy: 0.8034499804570814
Energy: 1.145023105588696
Energy: 0.015442660232656042
Energy: 0.015195617897985743
Energy: 0.015442660232656042
Energy: 0.01606686170838833
Energy: 0.8034499804556641
Energy: 0.01606686170838833
Energy: 0.8034499804563726
Energy: 0.01519561789869438
Energy: 0.015442660232656042
Energy: 1.6130525225885193
Energy: 0.015442660232656042
Energy: 0.01606686170838833
Energy: 0.8034499804577506
Energy: 0.01606686170838833
Energy: 0.8034499804570814

minimum gb energy = 0.015195617897985743 eV
minimum distance =  2.40940479439125 Angstroms
sigma value = 1