Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=3.62842905521393
cohesive_energy=4.196039813136094
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=[2.6230034763531e-21, 2.43335382818652e-20, 8.643566701000259e-20, 1.80762374377782e-19, 2.7724064474735995e-19, 3.5887635077956203e-19, 4.23964776535812e-19, 4.755756924468539e-19, 5.167980950630399e-19, 5.499246991476239e-19, 5.76610553163528e-19, 5.9810855923854e-19, 6.15397647296034e-19, 6.29253270826866e-19, 6.4029387001176e-19, 6.4901451743062205e-19, 6.558173594185859e-19, 6.610308421856219e-19, 6.649401531725819e-19, 6.677888232278339e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.667281822961259e-19, 6.6303676733139e-19, 6.58018750113702e-19, 6.51382534495674e-19, 6.427387915552439e-19, 6.315764269461659e-19, 6.172000960092839e-19, 5.98662912353904e-19, 5.746943499092639e-19, 5.43597703619958e-19, 5.03144345788092e-19, 4.50426325822956e-19, 3.8165770033840796e-19, 2.9184929129617196e-19, 1.74395324434266e-19, 2.0479822824104996e-20, -1.8171406729837798e-19, -4.4849730515562e-19, -8.045442119995379e-19, -1.2924118035824398e-18, -1.98892605168126e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.016062753474046128
Energy: -4.635237000173949
Energy: -2.9851555839269994
Energy: -4.635237000173949
Energy: -4.635237000172704
Energy: 1.3701505794725082
Energy: -4.635237000173949
Energy: 1.3701505794749638
Energy: -3.0182399954840395
Energy: -4.635237000173949
Energy: 0.016062753474046128
Energy: -4.635237000173949
Energy: -4.635237000172704
Energy: 1.3701505794658326
Energy: -4.635237000172704
Energy: 1.3701505794737188

minimum gb energy = -4.635237000173949 eV
minimum distance =  2.55574772289588 Angstroms
sigma value = 1


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

Energy: -3.299437980941072
Energy: -2.8790296081401547
Energy: -2.9179439856408327
Energy: -2.8139231548068473
Energy: -2.547336363026954
Energy: -2.812640876922029
Energy: -2.756979915556226
Energy: -2.7895126727491033
Energy: -2.7834447086489367
Energy: -2.685070910140838
Energy: -3.3174121056095514
Energy: -2.7848764495056075
Energy: -2.7687719284387455
Energy: -3.168433813383847
Energy: -2.726314283203993
Energy: -3.0467514072813104
Energy: -3.2008773289028554
Energy: -3.1446276493999084
Energy: -3.1975830016009215
Energy: -3.033584777477407
Energy: -2.9242704040214424
Energy: -3.222246289878951
Energy: -2.818508579020933
Energy: -2.88990411274481
Energy: -2.961631488008027
Energy: -3.178100188685201
Energy: -3.2260515284725795
Energy: -3.144325873074915
Energy: -3.0012496745961545
Energy: -3.100633493207904
Energy: -3.0626526644452823
Energy: -3.017310240984266
Energy: -2.8686910984580325
Energy: -3.314995849422087
Energy: -3.010475422615584
Energy: -3.3149958494303924
Energy: -3.2111907675124005
Energy: -3.313140358642512
Energy: -2.805555907431408
Energy: -3.3131403592538344
Energy: -2.8716623330842097
Energy: -3.2573999155610083
Energy: -2.8550302296763013
Energy: -3.2573999155602533
Energy: -2.9024522168684643
Energy: -3.2649357217953616
Energy: -3.02326855829627
Energy: -3.2706583348025666
Energy: -3.003820517075282
Energy: -3.1835904292199926
Energy: -3.0103659221939405
Energy: -3.2589096641208672
Energy: -3.095566843635544
Energy: -3.1753265878050696
Energy: -3.0727187303921037
Energy: -3.199598226946699
Energy: -3.410351482091789
Energy: -3.1289966775254303
Energy: -3.1441981570893245
Energy: -3.0933097038451374
Energy: -3.1815124628955864
Energy: -3.0397843822633237
Energy: -2.671534771612496
Energy: -3.1658695035729965
Energy: -3.0076537706548803
Energy: -2.6175340746059272
Energy: -3.131365245773683
Energy: -2.822633986216827
Energy: -2.7490124136378244
Energy: -2.70355195481745
Energy: -2.984874913269732
Energy: -2.6888928443794162
Energy: -3.2597524562989966
Energy: -2.7275281232139137
Energy: -2.857939328801502
Energy: -2.6283566380081353
Energy: -2.8695342838595748
Energy: -2.8604316330384547
Energy: -2.596539734432505
Energy: -2.756000673265454
Energy: -3.2389218351577846
Energy: -3.1925776831055406
Energy: -3.3891121900934524
Energy: -3.168552890588755
Energy: -3.01424323694496
Energy: -3.1459876047138113
Energy: -2.9290548134272636
Energy: -3.1003035350448105
Energy: -3.2727467298369146
Energy: -3.1993685336852664
Energy: -2.9537336730583474
Energy: -3.040677084468788
Energy: -2.8800932153045733
Energy: -3.201802175046929
Energy: -3.065772885214267
Energy: -3.142058174589095
Energy: -2.8899951084286015
Energy: -3.343582527890687
Energy: -3.009098866899796
Energy: -3.343582529540489
Energy: -2.8478582461103454
Energy: -3.3359917279700437
Energy: -3.1822330798508576
Energy: -3.4469294286011114
Energy: -3.101726772315826
Energy: -3.3318223993327014
Energy: -2.7475018202385364
Energy: -3.418369791159081
Energy: -3.0654140260952354
Energy: -3.2956982753661697
Energy: -3.147966360259347
Energy: -3.2962629576539477
Energy: -3.2296164078763927
Energy: -3.2094962568729106
Energy: -3.070097520722147
Energy: -3.1255533244713845
Energy: -3.106756355132699
Energy: -3.1221123419452326
Energy: -3.1406505193512206
Energy: -3.052215274461641
Energy: -3.0783341976417256
Energy: -3.2561371661863205
Energy: -3.247733256950079
Energy: -3.172340440155067
Energy: -2.731981542680611
Energy: -3.09373914627763
Energy: -3.359813914197305
Energy: -3.2636363880693726
Energy: -3.2199780006609338
Energy: -2.609869007865003
Energy: -2.949765830386121
Energy: -2.8071713886883813

minimum gb energy = -3.4469294286011114 eV
minimum distance =  2.24373468034915 Angstroms
sigma value = 1


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

Energy: -1.9412373445788607
Energy: -2.2681401514960102
Energy: -1.9733785200020364
Energy: -2.32651392442795
Energy: -2.2728261297957753
Energy: -1.9299305057397442
Energy: -2.4578440486678534
Energy: -1.947490316358806
Energy: -1.87862678556593
Energy: -1.8971194468201513
Energy: -2.167783540866231
Energy: -1.8597103513778253
Energy: -1.9376899439379685
Energy: -2.3558415916597206
Energy: -1.808846611201839
Energy: -2.245180057865775
Energy: -2.1131223035835114
Energy: -2.3496075980866484
Energy: -2.02431776544671
Energy: -2.1548501440814647
Energy: -1.9949634170307475
Energy: -2.2257627618612403
Energy: -2.0122526843867337
Energy: -2.2008713273627585
Energy: -2.1215122213356112
Energy: -2.222516177536674
Energy: -2.3444114940211773
Energy: -2.206388298532757
Energy: -2.058198152190807
Energy: -2.1591314245626556
Energy: -2.2575093138579754
Energy: -2.157496777661021
Energy: -2.1795825248409884
Energy: -2.177378392122474
Energy: -2.355856470683263
Energy: -2.177384610584925
Energy: -2.1707361031338612
Energy: -2.2444129759145106
Energy: -2.2836932278229662
Energy: -2.23765262250063
Energy: -2.206427874915124
Energy: -2.2670640921693397
Energy: -2.0184448248032973
Energy: -2.3802348479638127
Energy: -2.0504115098754654
Energy: -2.2835908502632454
Energy: -2.2403760032681714
Energy: -2.2240709470617013
Energy: -2.246213962276143
Energy: -2.2842044049135195
Energy: -2.1338342207004812
Energy: -2.1432573666020645
Energy: -2.19819291468519
Energy: -2.146417606954234
Energy: -2.2704306501147853
Energy: -2.183605337988923
Energy: -2.058790835483981
Energy: -1.9474238999600941
Energy: -2.018166609714159
Energy: -1.8689061860808729
Energy: -1.8933191988847184
Energy: -1.8969300521277528
Energy: -2.1474002460955837
Energy: -1.7420579502949225
Energy: -1.9068879285710143
Energy: -1.9653189376182902
Energy: -2.1913409106565216
Energy: -1.8973722444111545
Energy: -1.8972110199367103
Energy: -1.8647648044559686
Energy: -1.9151869315701846
Energy: -1.844400369305789
Energy: -2.231096658599042
Energy: -2.263656798237889
Energy: -2.3116970071196885
Energy: -2.1046813312641817
Energy: -1.8680901232746172
Energy: -2.1604435315838315
Energy: -2.0829128881411134
Energy: -2.189523744219364
Energy: -2.030676980601637
Energy: -2.1584862314442335
Energy: -2.216507530983293
Energy: -2.238419425852849
Energy: -2.0129531625893655
Energy: -2.2238280449514365
Energy: -2.1449902841828354
Energy: -2.153635987000109
Energy: -2.052566225167984
Energy: -2.226825199692771
Energy: -1.9057595912168859
Energy: -2.2268252014404735
Energy: -2.092678438518719
Energy: -2.186471433597723
Energy: -2.1508946553807826
Energy: -2.232533604697053
Energy: -2.2635501987803464
Energy: -2.089777647352226
Energy: -2.133824722074608
Energy: -2.1187294220107513
Energy: 0.5960706392892299
Energy: -2.088571916872064
Energy: -2.1861004035819844
Energy: -2.0324610838579673
Energy: -2.1392062051351597
Energy: -2.1539998425268325
Energy: -2.270514531976058
Energy: -2.135266913729849
Energy: -2.167327566133422
Energy: -2.193308882089919
Energy: -2.343492319836958
Energy: -2.1207275670426218
Energy: -2.087577112027273
Energy: -1.8068214954461221
Energy: -1.9496263843960577
Energy: -1.853905055556118

minimum gb energy = -2.4578440486678534 eV
minimum distance =  2.2411236378869 Angstroms
sigma value = 25


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

Energy: -1.0220643470085875
Energy: -1.2135282567286287
Energy: -1.3798163394049672
Energy: -1.3826324403650818
Energy: -1.3753793681486834
Energy: -1.0407307535966956
Energy: 0.49002338497512477
Energy: -0.9863218932444385
Energy: -1.3933597539761031
Energy: -1.398146328725266
Energy: -1.142149635151717
Energy: -1.456528677232681
Energy: -1.3138190699379115
Energy: -1.0962569850497688
Energy: -1.2893510451355146
Energy: -1.113690743969062
Energy: -1.237648903527088
Energy: -1.1639271218803164
Energy: -1.0314333366297412
Energy: -1.1950472784620865
Energy: -1.3263951283644144
Energy: -1.205960168778168
Energy: -1.3849391394443182
Energy: -1.0281696353998067
Energy: -1.062273206615934
Energy: -1.0694341212362062
Energy: 0.7109068122515837
Energy: -1.0867885182080792
Energy: -1.1769568190169815
Energy: -0.9581715402205369
Energy: -1.3230423945393865
Energy: -1.0545194417793373
Energy: -1.0669644091203734
Energy: -1.0333042999579987
Energy: -1.3213805194784383
Energy: -1.0828262405431315
Energy: -1.2060427272772345
Energy: -1.1197144260807543
Energy: -1.3900057126830863
Energy: -1.1061464250073663
Energy: -1.2357513353190996
Energy: -1.216813712362283
Energy: -1.071953142198338
Energy: -1.1369255671623353
Energy: -1.164942866077924
Energy: -1.2020122505604012
Energy: -1.299262819180916
Energy: -1.1385421783245497
Energy: -1.1981012092801069
Energy: -1.3570632421590254
Energy: 0.6109618645548566
Energy: -1.3955841859762628
Energy: -1.3299482316655653
Energy: -1.1967913081421746
Energy: -0.9215288615965946
Energy: -1.150221169205103
Energy: -1.064028444548456
Energy: -1.372374849142828
Energy: -1.4525177457513856
Energy: -1.3119067655277512
Energy: -1.0211275138817608
Energy: -1.4147533773178669
Energy: -1.403373378932745
Energy: -1.2569557040231965
Energy: -1.1018855507485157
Energy: -1.158140433813025
Energy: -1.0453985433631852
Energy: -1.0608695367978278
Energy: -1.154002858332089
Energy: -1.345405656571127
Energy: -1.3812222856054237
Energy: -1.1201926140248892
Energy: 0.7084709015663819
Energy: -1.0744746996585521
Energy: -1.1306495083978338
Energy: -1.0757527486362894
Energy: -1.3418312621759672
Energy: -1.008583844120822
Energy: -1.1610216745416402
Energy: -0.9893244546610143
Energy: -1.2435119762462372
Energy: -1.0703409404775612
Energy: -1.136627241152625
Energy: -1.1443090601502917
Energy: -1.228262925795386
Energy: -1.135418382108353
Energy: -1.2440108434404686
Energy: -1.1556100841837336
Energy: -1.1873948811854274
Energy: -1.218269886556999
Energy: -1.2096512250018476
Energy: -1.2274240163773498
Energy: -1.2404762959076892
Energy: -1.1152687966345647
Energy: -1.1609824035563086
Energy: -1.154401517449822
Energy: 0.6052011992462356
Energy: -1.4470991199554182
Energy: -0.9378659284050581
Energy: -1.366599840243245

minimum gb energy = -1.456528677232681 eV
minimum distance =  2.23288303746315 Angstroms
sigma value = 9


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

Energy: 0.0002138780982180651
Energy: -0.23748122668924854
Energy: -0.2641736522521273
Energy: -0.20492685946974928
Energy: 0.5244980052202661
Energy: 0.3719920895539095
Energy: 0.6325612163182617
Energy: 0.3719920895551033
Energy: -0.30048647191923555
Energy: -0.19135771999680276
Energy: -0.1356612615491553
Energy: -0.23938488463047647
Energy: 0.5623872930765188
Energy: 0.8839723939822578
Energy: 0.058566756113572815
Energy: 0.8839723939906146
Energy: 0.004490848970810665
Energy: 0.7384215046471837
Energy: -0.030350555032862863
Energy: 0.7384215046507653
Energy: 0.010401124312160942
Energy: -0.016019631523910935
Energy: 0.15708799671274384
Energy: 0.06755087051349969
Energy: 0.7966246843389093
Energy: 0.5109256452752563
Energy: 0.00624715799506273
Energy: 0.5109203813849598
Energy: 0.03887555388825836
Energy: 1.0825641979682463
Energy: 0.6971870462693293
Energy: 1.0825641979849603
Energy: 0.7773319432342273
Energy: 0.09326298648759708
Energy: 0.6671335935608261
Energy: 0.1512343864931909
Energy: 0.7341406247946126
Energy: 0.15965928636863422
Energy: 0.6600005121326268
Energy: 0.1313749484265775
Energy: -0.1998419966955378
Energy: -0.34274053022938933
Energy: 0.735597554924066
Energy: -0.24739763962884465
Energy: 0.021580791587773682
Energy: -0.14751961298889268
Energy: 0.7247190583558665
Energy: -0.121563921661451
Energy: 0.6031635619270587
Energy: 0.5750041995715934
Energy: -0.06452586918080708
Energy: 0.5750041996038273
Energy: -0.05363143551313318
Energy: 0.6149185323010666
Energy: -0.03940452949397548
Energy: 0.6149185323010666
Energy: 0.02612352121842186
Energy: 0.918453289534428
Energy: 0.15396301843183074
Energy: 0.918453289511772
Energy: -0.011624027327441416
Energy: 0.9130496098660059
Energy: 0.04976967211959047
Energy: 0.9130496098934645
Energy: -0.012476024681324145
Energy: -0.5185920588757114
Energy: 0.2863503214352439
Energy: -0.4712624070530637
Energy: 0.04455358094763102
Energy: 0.05180005044412664
Energy: -0.1558175705149372
Energy: -0.3120270770150396
Energy: -0.022634929021378834
Energy: 0.047161667845572006
Energy: 0.6707349304579291
Energy: 0.029762927576653844
Energy: 0.7415184746933092
Energy: -0.17579989218173298
Energy: 0.6707527735684573
Energy: 0.03350563189299304
Energy: -0.1034340821476733
Energy: -0.18071936420299792
Energy: -0.14360695456682385
Energy: -0.13481596350395247

minimum gb energy = -0.5185920588757114 eV
minimum distance =  2.25237178994633 Angstroms
sigma value = 25


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

Energy: 1.0788499508798932
Energy: 0.869864798911253
Energy: 0.9576416474842262
Energy: 0.8698647989171252
Energy: 0.891378476853391
Energy: 1.0514787082936228
Energy: 0.893818910439251
Energy: 1.0514787082936228
Energy: 0.9022217398950888
Energy: 0.8737856363313717
Energy: 0.9102634727605486
Energy: 0.8737856363313717
Energy: 0.8992827956730193
Energy: 1.0675166228071624
Energy: 0.9972472463658214
Energy: 1.067516622805686
Energy: 1.0141898048245854
Energy: 1.2531625607966894
Energy: 0.9994648623043525
Energy: 1.2531625607966894
Energy: 0.9864531389531487
Energy: 1.0102712060126222
Energy: 1.0124757375656663
Energy: 1.0102712060126222
Energy: 1.0117272415719076
Energy: 1.254380437203912
Energy: 0.9945125186958326
Energy: 1.254380437203912
Energy: 1.0034388463512136
Energy: 1.0645700623004064
Energy: 1.0103105677549002
Energy: 1.0645700623004064
Energy: 0.8791218336527148
Energy: 0.8765932734256251
Energy: 0.7683543417788816
Energy: 0.8765932734256251
Energy: 0.8960963820491974
Energy: 0.863393803427127
Energy: 0.7751964971654924
Energy: 0.8633938033474334
Energy: 0.9191739454484016
Energy: 0.9014724197178385
Energy: 0.9000798371489172
Energy: 0.9014724196912629
Energy: 0.9203694411034063
Energy: 0.8740425907450106
Energy: 0.874483232407304
Energy: 0.874042590746487
Energy: 1.0125708195061616
Energy: 1.2272330065527954
Energy: 1.0149305675458211
Energy: 1.2272330065498427
Energy: 1.0004264280095119
Energy: 0.9938597773961662
Energy: 0.8983400097246201
Energy: 0.9938597773961662
Energy: 0.9936926385205834
Energy: 1.2543599663853775
Energy: 1.0122558870851968
Energy: 1.2543599663839013
Energy: 1.0131480609674615
Energy: 1.2290550303099186
Energy: 1.0134253497551873
Energy: 1.2290550303099186
Energy: 0.7835444780147253
Energy: 0.8757339878812783
Energy: 0.879905776366168
Energy: 0.8757339878783253

minimum gb energy = 0.7683543417788816 eV
minimum distance =  2.30118500321203 Angstroms
sigma value = 17


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

Energy: 0.9298933669830216
Energy: 0.6864388648206415
Energy: 0.9146321805326778
Energy: 0.6864388653254653
Energy: 0.7307829132898201
Energy: 0.9525578702038456
Energy: 0.7826285175947776
Energy: 0.9525578702038456
Energy: 0.9030923881673315
Energy: 0.9508958154804342
Energy: 0.9097664220339909
Energy: 0.9508958154770895
Energy: 0.9350009206795326
Energy: 0.9437367855301164
Energy: 0.9144707698916296
Energy: 0.9437367855301164
Energy: 0.9530066295253713
Energy: 1.0030497360507762
Energy: 0.9572802128594262
Energy: 1.0030497360599742
Energy: 0.9517471083030863
Energy: 1.015094444708486
Energy: 0.9461891344848903
Energy: 1.0150944447093224
Energy: 0.955562777633857
Energy: 0.9495029365635783
Energy: 0.9843186986142056
Energy: 0.9495029365635783
Energy: 0.8444632961932116
Energy: 0.9776499591787261
Energy: 0.8360132651260478
Energy: 0.9776499591787261
Energy: 0.8253207632236417
Energy: 0.788096790461331
Energy: 0.9535156912969116
Energy: 0.7880967904621671
Energy: 0.8891876125183937
Energy: 0.8869679973349409
Energy: 0.8207565080366986
Energy: 0.886967997335777
Energy: 0.9725616684327409
Energy: 0.9404969224484865
Energy: 0.9487831539739716
Energy: 0.9404969224484865
Energy: 0.8768741246930879
Energy: 0.922532269715634
Energy: 0.9633157338484455
Energy: 0.9225322697164702
Energy: 0.9449447913923145
Energy: 0.8446381573324758
Energy: 0.9085090705123409
Energy: 0.8446381573274587
Energy: 0.9373059100269199
Energy: 0.9244066272588569
Energy: 0.9449758745496267
Energy: 0.9244066272605291
Energy: 0.9159712717563848
Energy: 0.8777058727796956
Energy: 0.8795592099503328
Energy: 0.8777058727521018
Energy: 0.8419348302475649
Energy: 0.8850830113264656
Energy: 0.8621440960798741
Energy: 0.8850830113247932
Energy: 0.9098872289476982
Energy: 0.9809881234289312
Energy: 0.8657972997128677
Energy: 0.980988123428095
Energy: 0.9120684533429281
Energy: 0.9805404271747998
Energy: 0.9860422173122241
Energy: 0.9805404271747998
Energy: 0.9507457270864462
Energy: 1.0184658555458703
Energy: 0.9317665061697968
Energy: 1.0184658555433619
Energy: 0.9656268531060973
Energy: 0.9882716567455683
Energy: 0.9477525091775785
Energy: 0.9882716567480768
Energy: 0.9524307047816128
Energy: 0.9382645612454759
Energy: 0.8520746105512204
Energy: 0.938264561246312
Energy: 0.8985952910681781
Energy: 0.8612189296133238
Energy: 0.9687260380111712
Energy: 0.8612189296116514
Energy: 0.8210395969564287
Energy: 0.8884416444655578
Energy: 0.7945540959145102
Energy: 0.8884416444546875
Energy: 0.9595034548111169
Energy: 0.891142888343713
Energy: 0.9015212134252465
Energy: 0.8911428883896648
Energy: 0.9314930182985447
Energy: 1.0449062205709432
Energy: 0.8668080359146179
Energy: 1.0449062205701072
Energy: 0.9731584883984108
Energy: 0.9222495175610291
Energy: 0.9664619743465794
Energy: 0.9222495175601928
Energy: 0.9497202768994297
Energy: 0.9358854429837375
Energy: 0.9327148981649777
Energy: 0.9358854429837375
Energy: 0.9552748927117698
Energy: 0.9269925056774578
Energy: 0.9362473608220263
Energy: 0.9269925056766216
Energy: 0.8256471492878024
Energy: 1.04323655715031
Energy: 0.9531533034328049
Energy: 1.0432365571486373
Energy: 0.8608929618977093
Energy: 0.885884370479945
Energy: 0.9026538458908586
Energy: 0.8858843704807812

minimum gb energy = 0.6864388648206415 eV
minimum distance =  2.29674282150665 Angstroms
sigma value = 53


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

Energy: 1.6240644357762248
Energy: 1.0236579254856255
Energy: 1.1253648085199262
Energy: 1.023657925554883
Energy: 1.0229061286086198
Energy: 1.0575985528882366
Energy: 1.0229899012269092
Energy: 1.0575985528863117
Energy: 1.0232495463854292
Energy: 1.024078743746339
Energy: 1.088768902970796
Energy: 1.0240787437444139
Energy: 1.0220019573129362
Energy: 1.1377206621695657
Energy: 1.0235619476361828
Energy: 1.1377206621695657
Energy: 1.0186474400003607
Energy: 1.1382964235520352
Energy: 1.0302061615599676
Energy: 1.13829642355396
Energy: 1.02303208247999
Energy: 1.1375512693288667
Energy: 1.0281376271719294
Energy: 1.1375512693288667
Energy: 0.9958345255167712
Energy: 1.014822509400236
Energy: 1.0232442884008546
Energy: 1.0148225094656431
Energy: 1.00183702558604
Energy: 1.0566725271455137
Energy: 1.0243673259023909
Energy: 1.0566725271455137
Energy: 1.0248632236502757
Energy: 1.0198320090760795
Energy: 1.0875745111206532
Energy: 1.0198320090760795
Energy: 1.054240524886058
Energy: 1.0570399656068046
Energy: 1.023086683549819
Energy: 1.0570399656087297
Energy: 1.0641131832279218
Energy: 1.1377128670401981
Energy: 1.0292437407148967
Energy: 1.1377128670421233
Energy: 1.0262517946865775
Energy: 1.104785765740633
Energy: 1.106043926661749
Energy: 1.1047857657444828
Energy: 1.0034266028827552
Energy: 1.0578810539621768
Energy: 1.0606190862538756
Energy: 1.0578810539602517

minimum gb energy = 0.9958345255167712 eV
minimum distance =  2.32019454414885 Angstroms
sigma value = 9


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

Energy: 1.0078703047300268
Energy: 0.9352641432527267
Energy: 1.088786214784264
Energy: 0.9352641124585603
Energy: 0.5149679368957089
Energy: 0.38909555647658556
Energy: 1.0029099810438218
Energy: 0.38909555456440653
Energy: 0.9690916382156087
Energy: 0.9205001281174847
Energy: 0.9320802222816065
Energy: 0.9205001281167722
Energy: 0.9443919217308143
Energy: 0.8995593917998241
Energy: 1.0130547195331068
Energy: 0.8995593918012491
Energy: 0.8729131753205769
Energy: 0.8984805338182301
Energy: 0.937623164358189
Energy: 0.8984805338168054
Energy: 0.7568064174784899
Energy: 0.5302922752248875
Energy: 0.9453227317961349
Energy: 0.5302922752277376
Energy: 1.0292763759376662
Energy: 0.9287232171116957
Energy: 1.0072983390622439
Energy: 0.9287232171138331
Energy: 1.0241965657006284
Energy: 0.9486830785183832
Energy: 0.9774755818481858
Energy: 0.9486830785190956
Energy: 0.9681159554712767
Energy: 1.0693507935654663
Energy: 0.962290060504934
Energy: 1.0693507935718787
Energy: 1.159096659073025
Energy: 1.291481837048423
Energy: 0.9693386879824494
Energy: 1.2914818370469983
Energy: 0.9908808057520266
Energy: 0.9748049086788858
Energy: 1.0484612958218298
Energy: 0.9748049086788858
Energy: 1.0028270788032394
Energy: 0.9155720807323644
Energy: 0.937242835945
Energy: 0.9155720807295145
Energy: 0.994858408492871
Energy: 0.9070398872655795
Energy: 0.8608234344554526
Energy: 0.9070398872662919
Energy: 0.9948783080270281
Energy: 0.8765394200985452
Energy: 0.9484572937850595
Energy: 0.8765394200978328
Energy: 0.9720828228785592
Energy: 0.9101176660478489
Energy: 0.9480842538202171
Energy: 0.9101176660478489
Energy: 0.9670560508269642
Energy: 0.9913252279608051
Energy: 0.9530960325998452
Energy: 0.9913252279600925
Energy: 0.9595355346926385
Energy: 0.5178158494172364
Energy: 0.7746478797157772
Energy: 0.5178158494193738
Energy: 0.9379030410043998
Energy: 0.8718054594568284
Energy: 1.0047800889369556
Energy: 0.871805459454691
Energy: 0.9953883302743112
Energy: 0.9320968385879965
Energy: 0.5906798855666214
Energy: 0.9320968385894214
Energy: 0.9220674486759887
Energy: 0.9229791159440802
Energy: 0.9673430273626081
Energy: 0.9229791159440802
Energy: 1.009195647436998
Energy: 0.8811210138790918
Energy: 0.9297606436234526
Energy: 0.8811210138826543
Energy: 0.953144784682627
Energy: 0.8453136983981608
Energy: 0.9906576827525223
Energy: 0.8453136983967358
Energy: 0.9355255013369086
Energy: 0.7080182120771623
Energy: 0.8224395563120536
Energy: 0.7080182120885622
Energy: 1.0112460942965036
Energy: 0.9346415979193757
Energy: 1.0254476774186418
Energy: 0.9346415979193757
Energy: 0.9763210270275423
Energy: 0.9472131385563924
Energy: 1.0240347844466653
Energy: 0.9472131385592424
Energy: 0.9671639400844112
Energy: 1.0160726306305994
Energy: 0.9645350221098288
Energy: 1.0160726306291743
Energy: 0.9630549365533698
Energy: 1.0603689023383422
Energy: 1.1595385785879488
Energy: 1.06036890233763
Energy: 1.0579897628618058
Energy: 0.9742459193952689
Energy: 0.9898617763771798
Energy: 0.9742459193938439
Energy: 0.9242392509124486
Energy: 1.011911668510773
Energy: 1.0109032795962074
Energy: 1.011911668510773
Energy: 0.8218765819322434
Energy: 0.905824948470906
Energy: 1.0027282845478132
Energy: 0.9058249484723309
Energy: 0.9532134464718377
Energy: 0.8910449000732146
Energy: 0.9928908240513067
Energy: 0.8910449000732146
Energy: 0.950967768844039
Energy: 0.9172993707108045
Energy: 0.970244815947165
Energy: 0.917299370711517
Energy: 0.9457259744242175
Energy: 1.188771935796311
Energy: 0.9757039906650911
Energy: 1.188771935796311
Energy: 0.7784217496681125
Energy: 0.48844428532944884
Energy: 0.9776222116511576
Energy: 0.4884442853308738
Energy: 1.0019509726856144
Energy: 0.8765075602761742
Energy: 0.9480250176791125
Energy: 0.8765075602654868

minimum gb energy = 0.38909555456440653 eV
minimum distance =  2.29955324733011 Angstroms
sigma value = 73


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

Energy: 0.9940027072457587
Energy: 0.05214316282842527
Energy: 0.42107362254865865
Energy: 0.06541889558727253
Energy: 0.5073851416413603
Energy: 0.96310599004932
Energy: 0.8380381889051796
Energy: 0.9631059900764498
Energy: 0.8417163316229872
Energy: 0.8253344989283767
Energy: 0.9159273128916517
Energy: 0.8253344989283767
Energy: -0.48100896453591757
Energy: -0.56828711047891
Energy: 0.9143531805402026
Energy: -0.7027011696969748
Energy: -0.6843352287914921
Energy: -0.4163104918957996
Energy: 0.5864616959824871
Energy: -0.4160641398251403
Energy: -0.4527344090764512
Energy: 0.5250713635105747
Energy: 0.4921831324634395
Energy: 0.5250713631930566
Energy: 0.8598577604463996
Energy: 0.9057722301806624
Energy: 0.944203985034051
Energy: 0.9057722301897059
Energy: 0.9305294817311155
Energy: 0.9182545522403007
Energy: 0.9357268832227355
Energy: 0.9182545522391959
Energy: 0.9211359899859848
Energy: 0.3550596924318579
Energy: 0.8397138147607196
Energy: 0.35505969225559025
Energy: 0.300898703509357
Energy: 1.2402537133711118
Energy: 0.9256526812253107
Energy: 1.2402537133530254
Energy: 0.9304584535806093
Energy: 0.9270773332509571
Energy: 0.9776840072857566
Energy: 0.9270773332283487
Energy: 0.9639931814072942
Energy: 0.9146218896135921
Energy: 0.9586847004054603
Energy: 0.9146218895921143
Energy: 0.9164313475630089
Energy: 1.125160791323878
Energy: 0.9585623427095864
Energy: 1.125160791313704
Energy: 0.9261021623811018
Energy: 0.1638805957430929
Energy: 0.9612099656946179
Energy: 0.11704690760990863
Energy: 0.35542358192295104
Energy: 0.9033597597338757
Energy: 0.21899301272207325
Energy: 0.9033597597406582
Energy: 0.570327051628685
Energy: 0.9076961798865504
Energy: 0.8990160226934154
Energy: 0.9076961798888112
Energy: 0.5555480085196394
Energy: 0.9879949480691088
Energy: 0.9145545343859117
Energy: 0.9879949476047136
Energy: 0.3500095689599292
Energy: 0.3518881035108403
Energy: 0.8608148145487421
Energy: 0.3518880075925101
Energy: 0.42003751728034083
Energy: 0.8709833152134018
Energy: 1.0046744249590287
Energy: 0.8709833152145321
Energy: 0.38933494974157723
Energy: 0.23838811777536423
Energy: 0.8631590227536587
Energy: 0.2383881176442875
Energy: 0.39465936996359735
Energy: 0.43872350112153286
Energy: 0.8938826876933855
Energy: 0.43872350122550535
Energy: 0.9879195608338677
Energy: 0.8431178143762365
Energy: 0.8928860782191419
Energy: 0.8431178143751059

minimum gb energy = -0.7027011696969748 eV
minimum distance =  2.29788589073625 Angstroms
sigma value = 7


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

Energy: 0.2170852228319593
Energy: 0.8022133148888251
Energy: 1.027949675221849
Energy: 0.8022133177387424
Energy: 0.7078842462497843
Energy: 0.9787189863863194
Energy: 0.7671078076660321
Energy: 0.9787189863887175
Energy: 0.8180440006896825
Energy: 0.8174765494150721
Energy: 0.9181408657992315
Energy: 0.8174765494102761
Energy: 0.9036171248533791
Energy: 0.8568968679244229
Energy: 0.9938551579760515
Energy: 0.8568968679220248
Energy: 0.7917414326023078
Energy: 0.7741540037592971
Energy: 0.9444542701020243
Energy: 0.7741540037608957
Energy: 0.8063849877978047
Energy: 0.7298711477684143
Energy: 0.946725894503617
Energy: 0.7298711477524642
Energy: 0.9407449674608084
Energy: 0.8122488262613634
Energy: 0.6843455628944546
Energy: 0.8122488262637614
Energy: 1.0054818000413157
Energy: 0.7341792166169605
Energy: 0.9121042804083386
Energy: 0.7341792166153618
Energy: 0.962474192187885
Energy: 0.8446225999913183
Energy: 0.8771063595730654
Energy: 0.8446225999833251
Energy: 0.7434221010809766
Energy: 0.7043456642366615
Energy: 0.7442158471344528
Energy: 0.7043456642326648
Energy: 0.7962378156710902
Energy: 0.8707182459047546
Energy: 0.7419225903735934
Energy: 0.8707182459119485
Energy: 0.8727997606984464
Energy: 0.8245157931092151
Energy: 1.0211075062776265
Energy: 0.8245157930508642
Energy: 0.8673176719137216
Energy: 0.8181933783544125
Energy: 0.6813956199643959
Energy: 0.818193378348018
Energy: 0.8884960530474406
Energy: 0.9487044078614562
Energy: 0.9066327719468339
Energy: 0.9487044078638541
Energy: 0.7245721663280158
Energy: 0.8136818408124457
Energy: 0.8919859308802515
Energy: 0.8136818408116463
Energy: 1.08938860375487
Energy: 0.8000103429462243
Energy: 0.8535140596209535
Energy: 0.800010342947823
Energy: 1.0798226693409503
Energy: 0.8703170916023959
Energy: 0.7862297959293315
Energy: 0.8703170916055932
Energy: 0.7794728600684876
Energy: 0.7086681353951894
Energy: 0.907710074020499
Energy: 0.7086681353983866
Energy: 0.8819959489878423
Energy: 0.824859519215501
Energy: 0.9848275648242936
Energy: 0.8248595192186984
Energy: 0.8857217289509801
Energy: 0.8556758939741272
Energy: 0.835023785451197
Energy: 0.8556758939733279
Energy: 0.6540359496998482
Energy: 0.8170445799961464
Energy: 0.9379296885869156
Energy: 0.8170445799889525
Energy: 0.9958111811040442
Energy: 0.7540131756889351
Energy: 0.7727366282218875
Energy: 0.7540131756849385
Energy: 0.9870371522651198
Energy: 0.7600608484365522
Energy: 0.7797681597139475
Energy: 0.7600608484421476
Energy: 0.9658496184577156
Energy: 0.8270693554365026
Energy: 0.8938837151514162
Energy: 0.8270693554932548
Energy: 0.7879066915003659
Energy: 0.793698955117029
Energy: 0.9047373336229777
Energy: 0.7936989551210256
Energy: 0.9373053252826684
Energy: 0.9592009810145492
Energy: 0.7052326134292297
Energy: 0.9592009810073553
Energy: 0.8227147129830724
Energy: 0.7525460869092089
Energy: 0.9636624592671461
Energy: 0.7525460869004165
Energy: 0.8295669691181654
Energy: 0.7869200565298788
Energy: 0.6405807743149409
Energy: 0.7869200565290795
Energy: 0.7459400741448876
Energy: 0.9349054890677302
Energy: 0.8729178855864426
Energy: 0.9349054890709275
Energy: 0.791711610656383
Energy: 0.8019054433814011
Energy: 0.906493026554165
Energy: 0.8019054433798025
Energy: 1.0864862716795003
Energy: 0.7920142746655144
Energy: 0.8696476568285416
Energy: 0.7920142746351401

minimum gb energy = 0.2170852228319593 eV
minimum distance =  2.30077890078948 Angstroms
sigma value = 29


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

Energy: 1.1740479308421339
Energy: 0.9372972955419393
Energy: 0.8574466498727488
Energy: 0.937297299355155
Energy: 0.8562716152437484
Energy: 0.970096923467374
Energy: 0.8591358067047491
Energy: 0.970096923467374
Energy: 0.8700393063374233
Energy: 0.9500822865443612
Energy: 1.0892107771230812
Energy: 0.9500822865236649
Energy: 0.9122716456698865
Energy: 0.869333340044043
Energy: 0.8689397267406258
Energy: 0.8693333400448473
Energy: 0.8742071392876272
Energy: 0.8699535303050838
Energy: 0.9118942382484436
Energy: 0.8699535303070017
Energy: 0.8734138603706284
Energy: 0.9567522241671549
Energy: 0.9120859603851222
Energy: 0.9567522241630713
Energy: 0.9219519108575589
Energy: 0.9550055415546991
Energy: 0.8631728535636879
Energy: 0.9550055415549467
Energy: 0.8594791574243427
Energy: 0.8673989881448932
Energy: 0.9093429831817309
Energy: 0.8673989881440578
Energy: 0.9054981398740701
Energy: 0.878767745568907
Energy: 0.8661602555701087
Energy: 0.878767745568907

minimum gb energy = 0.8562716152437484 eV
minimum distance =  2.31474237743068 Angstroms
sigma value = 5


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

Energy: 1.2007182370875398
Energy: 0.5726090334788728
Energy: 0.4274951890992363
Energy: 0.577228725767409
Energy: 0.7240440495110083
Energy: 0.7380306853163557
Energy: 0.9131087860604491
Energy: 0.7380306853163557
Energy: 0.8969209050316307
Energy: 0.7649619865761398
Energy: 0.8632539847210807
Energy: 0.7649619865776499
Energy: 0.707602925961207
Energy: 0.7264321241412541
Energy: 0.8451794436039685
Energy: 0.7264321241404991
Energy: 0.8431736399631481
Energy: 0.7030857201834727
Energy: 0.9856053143370705
Energy: 0.7030857201804526
Energy: 0.7382333677802325
Energy: 0.7167598879584548
Energy: 0.9898395841484677
Energy: 0.7167598879546795
Energy: 0.7401059854784159
Energy: 0.7016594007475643
Energy: 0.8593955367626746
Energy: 0.7016594007468091
Energy: 0.7642295014605002
Energy: 0.9258406689394917
Energy: 1.0729387526005547
Energy: 0.9258406657508137
Energy: 0.6927374087630176
Energy: 1.008436954366403
Energy: 1.171584800710074
Energy: 1.0084369543671579
Energy: 0.9792951736883613
Energy: 0.7314030883774804
Energy: 0.788854213499148
Energy: 0.7314030883253814
Energy: 0.7229824663308052
Energy: 0.7553790761567648
Energy: 0.8186107837669502
Energy: 0.7553790761567648
Energy: 1.1912481808444046
Energy: 0.7615077965967225
Energy: 0.8021402319215423
Energy: 0.7615077965959676
Energy: 1.1831656306266496
Energy: 0.7576374482001869
Energy: 0.6759585061058734
Energy: 0.7576374482001869
Energy: 0.8167995179495802
Energy: 0.818179217292174
Energy: 0.9573230928816804
Energy: 0.8181792172951944
Energy: 0.7491415373747383
Energy: 0.720681006761531
Energy: 0.970117744907265
Energy: 0.7206810067637962
Energy: 0.7614416716568584
Energy: 0.7307810993702889
Energy: 0.7719812160308761
Energy: 0.7307810993687788
Energy: 0.6840937741718384
Energy: 0.6657276948604688
Energy: 1.1559230690624906
Energy: 0.6657276948612239
Energy: 0.9003958416329212
Energy: 0.7354997170681861
Energy: 0.5947939236824556
Energy: 0.735499717068941
Energy: 0.8441366040744768
Energy: 0.711835726080327
Energy: 0.9052976258566207
Energy: 0.7118357260818372
Energy: 0.8655522611427914
Energy: 0.7131593209479161
Energy: 0.7086187855876386
Energy: 0.7131593209479161
Energy: 0.9898926541012191
Energy: 0.7218216086985276
Energy: 0.8193697080586
Energy: 0.7218216086992828
Energy: 1.1873943842737258
Energy: 0.6978658319839477
Energy: 0.7302998581296475
Energy: 0.6978658319824376
Energy: 0.8595575107115989
Energy: 0.7161661289806555
Energy: 0.7511622418270096
Energy: 0.7161661289799003
Energy: 1.1070326619411737
Energy: 0.7441072640437967
Energy: 0.7646713401703271
Energy: 0.7441072640422867
Energy: 1.1466186508869298
Energy: 0.9988432707790836
Energy: 0.7035326420240582
Energy: 0.9988432707813487
Energy: 0.771159996090551
Energy: 0.7203192069195019
Energy: 0.9761698898439148
Energy: 0.7203192069278076
Energy: 0.8258331166215205
Energy: 0.7487296676785756
Energy: 0.7163709405577153
Energy: 0.7487296676785756
Energy: 0.8033314174221741
Energy: 0.7684143969105283
Energy: 0.706731956616657
Energy: 0.7684143969105283
Energy: 0.8495185156746842
Energy: 0.7433146591266265
Energy: 1.1779861022359817
Energy: 0.7433146591281367
Energy: 0.9660566616363534
Energy: 0.8451978768501293
Energy: 0.7038942229784587
Energy: 0.845197876848619
Energy: 0.9619743775370859
Energy: 0.7276758899366107
Energy: 0.7545699831513275
Energy: 0.7276758899366107
Energy: 0.7889507127507681
Energy: 0.7274629719987034
Energy: 0.7530565335140424
Energy: 0.7274629719987034
Energy: 1.160577793177461
Energy: 0.6850592498339677
Energy: 0.7161925673853398
Energy: 0.6850592498339677

minimum gb energy = 0.4274951890992363 eV
minimum distance =  2.26695952167245 Angstroms
sigma value = 1


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

Energy: 0.20881166455881922
Energy: 0.3247634299747769
Energy: 0.21846174404228688
Energy: 0.32477613865487504
Energy: -0.23762604443128407
Energy: 0.6865480394853395
Energy: 0.9355864557762774
Energy: 0.68654803948738
Energy: 0.4644705508292937
Energy: 0.7213278699941306
Energy: 0.8902283130638117
Energy: 0.7213278701944823
Energy: 0.8013596932572783
Energy: -0.010970918520409793
Energy: 0.9153058070677111
Energy: 0.03796480239076584
Energy: -0.2616121695547313
Energy: 0.6154953321883249
Energy: 0.21798287242716885
Energy: 0.6154953321925011
Energy: 0.6725945383555546
Energy: 0.6657816396266805
Energy: 0.3841233871573778
Energy: 0.6657816396256363
Energy: 0.6714396268320759
Energy: 0.6679633247004276
Energy: 0.9100961243125536
Energy: 0.6679633246993837
Energy: 0.6764208226589347
Energy: 0.6736671501337024
Energy: -0.5274886669559911
Energy: 0.6736671501399663
Energy: 0.7664395169521684
Energy: 0.9580341468934617
Energy: -0.185772421172898
Energy: 0.9580341468986816
Energy: 1.0893808314829252
Energy: 0.9693234889651107
Energy: 0.8567264201781257
Energy: 0.9693234890517146
Energy: 0.6244787506643454
Energy: 0.7327269460199803
Energy: 0.848060753411999
Energy: 0.7327269460011884
Energy: 1.281466917448292
Energy: 0.7276347652207324
Energy: 0.8689948121560908
Energy: 0.7276347652572721
Energy: 1.2691136331081156
Energy: 0.7217223632072732
Energy: 0.8432396870958283
Energy: 0.7217223632124933
Energy: 0.630914589539618
Energy: 0.7296057980534353
Energy: 1.0551752016849467
Energy: 0.7296057980482152
Energy: 0.811545084286856
Energy: 0.9054076364636557
Energy: 1.0123516993858663
Energy: 0.9054089652905212
Energy: 0.8071027263885155
Energy: 0.6364894559352483
Energy: -0.05113040929867942
Energy: 0.6364894558121047
Energy: -0.682592042632754
Energy: 0.6548411975452952
Energy: 0.12024850859126718
Energy: 0.6548411975609552
Energy: 0.6883579424803196
Energy: 0.6714580990655648
Energy: 0.7732936064529504
Energy: 0.6714580990655648
Energy: 0.6628774017815761
Energy: 0.6666868568818226
Energy: 1.0409404230994777
Energy: 0.6666868568985267
Energy: 0.6311903264424888
Energy: 0.7561628403300857
Energy: -0.5100393473528265
Energy: 0.756162840291458
Energy: 1.127013221703718
Energy: 0.6712799630160882
Energy: 0.22002584012161852
Energy: 0.6712799630171322
Energy: 1.1204109715645714
Energy: 0.6869695937986644
Energy: 0.6968618845261499
Energy: 0.6869695937965764
Energy: -0.41682309201916
Energy: 0.6876566737087629
Energy: 0.685483637958611
Energy: 0.6876566737087629
Energy: 0.3559418042604957
Energy: 0.6723946179414356
Energy: 0.6744694058375139
Energy: 0.6723946179456116

minimum gb energy = -0.682592042632754 eV
minimum distance =  2.27553784701332 Angstroms
sigma value = 17


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

Energy: 0.6603242549514844
Energy: 0.5778443389364883
Energy: 0.8779932113967747
Energy: 0.5793648515310403
Energy: 0.8414638387099845
Energy: 0.6146944434442144
Energy: 0.8355562474953891
Energy: 0.6146944434467955
Energy: 1.0568540594070284
Energy: 0.6214255536452725
Energy: 0.8348061646151557
Energy: 0.621425553646563
Energy: 1.0433916054523187
Energy: 0.7279344701742528
Energy: 0.799445410147508
Energy: 0.7279344701761886
Energy: 0.8735012877366872
Energy: 0.6515063402731429
Energy: 0.893141884308239
Energy: 0.6515063402724977
Energy: 0.6931547400164706
Energy: 0.6524159155428166
Energy: 0.4610510784159438
Energy: 0.6524159155421714
Energy: 0.6953100037495041
Energy: 0.6508916259359219
Energy: 0.6280259269202284
Energy: 0.6508916259352766
Energy: 0.6978072273504465
Energy: 0.6400981677807591
Energy: 0.46595547214197697
Energy: 0.6400981677794686
Energy: 0.8014654774773702
Energy: 0.6570290223517637
Energy: 0.41004148936014934
Energy: 0.6570290223536996
Energy: 0.8533972160652372
Energy: 0.7258870979884237
Energy: 0.819895494299338
Energy: 0.7258870979826163
Energy: -0.05511819432052348
Energy: 0.6225524834945677
Energy: 0.6457283774716064
Energy: 0.6225524835029562
Energy: 0.6845565140767634
Energy: 0.6076779829127712
Energy: 0.8138711737410229
Energy: 0.6076779828876058
Energy: 0.5605226464573286
Energy: 0.6065108484099526
Energy: 0.6488931016187751
Energy: 0.6065108484099526
Energy: 0.524150146937944
Energy: 0.621542243733954
Energy: 0.6581059302278088
Energy: 0.6215422437352444
Energy: 1.0670964405577237
Energy: 0.6168092566474009
Energy: 0.6673491378948676
Energy: 0.6168092566474009
Energy: 0.5336495149738547
Energy: 0.6240747805719473
Energy: 0.5556141258122166
Energy: 0.624074780568721
Energy: 0.6642912945255764
Energy: 0.6130985363380573
Energy: 0.66368374035311
Energy: 0.6130985363393479
Energy: 0.6601904304837616
Energy: 0.6128699573574231
Energy: 0.4724533498287568
Energy: 0.6128699573574231
Energy: 0.677052464741417
Energy: 0.6161177026471434
Energy: 0.6219669703448873
Energy: 0.6161177026464981
Energy: -0.5740015994003121
Energy: 0.5582263699300961
Energy: 0.5901816876691276
Energy: 0.5582263700049476
Energy: 0.8266085725168915
Energy: 0.6128860931900888
Energy: 0.8303695505237659
Energy: 0.612886093188153
Energy: 0.8371041001356244
Energy: 0.7795933563618452
Energy: 1.0519610219294506
Energy: 0.7795933563605547
Energy: 0.5023386652407618
Energy: 0.7295402841961386
Energy: 1.048674417543755
Energy: 0.729540284192267
Energy: 0.8765755657469859
Energy: 0.6490223153980604
Energy: 0.8332564431050088
Energy: 0.6490223153967699
Energy: 0.4898217690963874
Energy: 0.6534137163257138
Energy: 0.6971262420222669
Energy: 0.6534137163257138
Energy: 0.6214678775470843
Energy: 0.6829207648051296
Energy: 0.753481213636968
Energy: 0.6829207648025487
Energy: 0.47312725900453995
Energy: 0.634411128371503
Energy: 0.6856425340202531
Energy: 0.6344111283727937
Energy: 0.47706621979229474
Energy: 0.7264327864680844
Energy: 0.9879988043893426
Energy: 0.7264327864706654
Energy: 0.8226339536368216
Energy: 0.7075714871406154
Energy: 0.8636759316740518
Energy: 0.7075714871431965
Energy: 0.64030082951837
Energy: 0.5923728217346017
Energy: -0.03686202027884477
Energy: 0.5923728217346017
Energy: 0.8057765746470045
Energy: 0.614112493462139
Energy: 0.6716816056201372
Energy: 0.6141124934595579
Energy: 0.6561529292555763
Energy: 0.6129246411496511
Energy: 0.661818348463789
Energy: 0.6129246411502963
Energy: 0.6562940643573609
Energy: 0.6190467615192699
Energy: 0.4398884679031388
Energy: 0.6190467615212057
Energy: 0.6638290850479227
Energy: 0.6122412287958142
Energy: 1.0648169558534262
Energy: 0.61224122879775
Energy: 0.4962474060058058
Energy: 0.6260433521468807
Energy: 0.6013455355867664
Energy: 0.6260433521475259
Energy: 0.650936789018328
Energy: 0.6060520530507197
Energy: 0.6667818130577604
Energy: 0.6060520530474933
Energy: 0.4973688566684224
Energy: 0.6101755742295083
Energy: 0.6661364204917652
Energy: 0.6101755742301536
Energy: 0.5865940497743213
Energy: 0.6157700022572494
Energy: 0.6707737474812923
Energy: 0.6157700022604758

minimum gb energy = -0.5740015994003121 eV
minimum distance =  2.27370016257731 Angstroms
sigma value = 89


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

Energy: 1.4292449511259704
Energy: 0.32270234172207907
Energy: 0.3748625782893542
Energy: 0.3881500785257593
Energy: 0.39955774712221087
Energy: 0.512380312442316
Energy: 0.37413497437748583
Energy: 0.5123803124372509
Energy: 0.5358173103333436
Energy: 0.48403711557659185
Energy: 0.27176767087518466
Energy: 0.4840405198171675
Energy: 0.5123399166479171
Energy: 0.4937762326602929
Energy: 0.35688902107761794
Energy: 0.49377623262990245
Energy: 0.3675721764834906
Energy: 0.4177922782276216
Energy: 0.5147165642654878
Energy: 0.4177923058065707
Energy: 0.42594717182965436
Energy: 0.4510475661338563
Energy: 0.5348464382828351
Energy: 0.4510475660562301
Energy: 0.3735894044855594
Energy: 0.3995333347481999
Energy: 0.3872222376329354
Energy: 0.39953333475157665
Energy: 0.408005788877138
Energy: 0.38620487399414277
Energy: 0.35170977839809536
Energy: 0.38620488081884186
Energy: 0.374413800786253
Energy: 0.3736654805964197
Energy: 0.4163361910738111
Energy: 0.37361809992869993
Energy: 0.25068338635149895
Energy: 0.4826826059301618
Energy: 0.32723176458240905
Energy: 0.4826786835372673
Energy: 0.4036063832972646
Energy: 0.4690183643580461
Energy: 0.4591691223578435
Energy: 0.46901790715892344
Energy: 0.5212760699391421
Energy: 0.42239226103786254
Energy: 0.3099593402306095
Energy: 0.4223922639355115
Energy: 0.5149872148247338
Energy: 0.35414702309866325
Energy: 0.38997229364077524
Energy: 0.3541458715049712
Energy: 0.3834757828055365
Energy: 0.43068284823727365
Energy: 0.4069801260059605
Energy: 0.43068291788498986
Energy: 0.3862231571703218
Energy: 0.3519434391155155
Energy: 0.3919080723600302
Energy: 0.3519445250054634

minimum gb energy = 0.25068338635149895 eV
minimum distance =  2.32148113951868 Angstroms
sigma value = 13


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

Energy: 0.7535499673437496
Energy: 0.2025040630960891
Energy: 0.1989763910601229
Energy: 0.20189518315271643
Energy: 0.5473333349839912
Energy: 0.26646080032894615
Energy: 0.3785984264736447
Energy: 0.2664608003247002
Energy: -0.49358225331319916
Energy: 0.2504618311927124
Energy: 0.3547164721695513
Energy: 0.2504618311927124
Energy: 0.7499380542021467
Energy: 0.26830151756704773
Energy: 0.27664966443340666
Energy: 0.26830151759245896
Energy: 0.4023913947457463
Energy: 0.2675431326880596
Energy: 0.6683313832437989
Energy: 0.26754313268664426
Energy: 0.37976162988260037
Energy: 0.2664262571886671
Energy: 0.7122905150877586
Energy: 0.2664262572035278
Energy: 0.35013016206506237
Energy: 0.2441669623016283
Energy: -0.45042872476960216
Energy: 0.24416696230941248
Energy: 0.35482595942185613
Energy: 0.18261397236875784
Energy: 0.7059293038889557
Energy: 0.18261397237441912
Energy: 0.06982680942880264
Energy: 0.24879265477152235
Energy: 0.8087636486199009
Energy: 0.24879265477293763
Energy: 0.08868499576073748
Energy: 0.2466244346140596
Energy: 0.26717197806277077
Energy: 0.24662443461830555
Energy: 0.10761899364261067
Energy: 0.1653061095015203
Energy: 0.7064719537503182
Energy: 0.1653061094958591
Energy: 0.40414747754385305
Energy: -0.4478952561939397
Energy: 0.28027180548227093
Energy: -0.44789525616428255
Energy: 0.4606967792924053
Energy: -0.42260089754213065
Energy: 0.3524644228645295
Energy: -0.422600897504625
Energy: 0.35197519684812
Energy: -0.5103540784924603
Energy: 0.4749039624249474
Energy: -0.5103537435521759
Energy: 0.5480603469520261
Energy: 0.2494127868246268
Energy: 0.3530770664462484
Energy: 0.24941278682533446
Energy: 0.5936810851491534
Energy: 0.24769018370593002
Energy: 0.11238474626680131
Energy: 0.24769018370026874
Energy: 0.5751769735910826
Energy: 0.25758633426341826
Energy: 0.19918803830949947
Energy: 0.2575863342655412
Energy: 0.748315543638077
Energy: 0.20915267085782854
Energy: 0.11671983530924362
Energy: 0.20915267085853617
Energy: 0.7231944505818095
Energy: 0.26901654279931947
Energy: 0.35797753082105027
Energy: 0.26901654279153525
Energy: 0.3224896978861911
Energy: 0.2161419573232591
Energy: 0.3148663572936109
Energy: 0.216141957329628
Energy: 0.8946920170062944
Energy: 0.3920923941223764
Energy: 0.3546059689592682
Energy: 0.39209239414006775
Energy: 0.37231716058681574
Energy: 0.26710759526319616
Energy: 0.6884258154812397
Energy: 0.26710759526248856
Energy: 0.38685568924052116
Energy: 0.26625630077220247
Energy: 0.6693955168279054
Energy: 0.26625630077715606
Energy: 0.22346137443827982
Energy: 0.2124367904393195
Energy: 0.3920461361184895
Energy: 0.21243679044568842
Energy: 0.3556284755994064
Energy: 0.2063297722984142
Energy: 0.7557448131961634
Energy: 0.20632977230407545
Energy: 0.06342845523308677
Energy: 0.24078369340366493
Energy: 0.7762176636166351
Energy: 0.2407836934149874
Energy: 0.09349265389848337
Energy: 0.22532855516916048
Energy: 0.2631528342796423
Energy: 0.2253285551642069
Energy: 0.0684285940549237
Energy: 0.18857982215879154
Energy: 0.7799469028879934
Energy: 0.1885798219083463
Energy: -0.25213778659673924
Energy: 0.24179897168966602
Energy: 0.5024719354229633
Energy: 0.24179897168825068
Energy: 0.5335588912420438
Energy: -0.4340598602959495
Energy: 0.3611097581352275
Energy: -0.4340598602980725
Energy: 0.40160584966559926
Energy: -0.40339881106103387
Energy: 0.48803872525001246
Energy: -0.40339880819773666
Energy: 0.5926864994768842
Energy: 0.247504457605405
Energy: 0.354188638833556
Energy: 0.24750445760257436
Energy: 0.5475557360947083
Energy: 0.24690923228161388
Energy: 0.08903023090080525
Energy: 0.24690923227382966
Energy: 0.5699981749799079
Energy: 0.2736156296621825
Energy: 0.17596648072018442
Energy: 0.273615629655106
Energy: 0.6356233425560858
Energy: 0.2398289041460607
Energy: 0.11258123492361306
Energy: 0.2398289041382765

minimum gb energy = -0.5103540784924603 eV
minimum distance =  2.27890179985792 Angstroms
sigma value = 37


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

Energy: 1.0229617289254023
Energy: -0.10194881972809614
Energy: -0.09957599058005476
Energy: -0.16234429201283382
Energy: 0.3944817484775264
Energy: -0.04958310289461047
Energy: 0.138945510935698
Energy: -0.04958255082967889
Energy: 0.5958189995014409
Energy: -0.10595088655050548
Energy: -0.0193740024059185
Energy: -0.10439378074252108
Energy: 0.6642836819088845
Energy: -0.07697364243136276
Energy: 0.1466999097015088
Energy: -0.7788472408615903
Energy: 0.3781778321497127
Energy: -0.47936379624952746
Energy: 0.5359965774452542
Energy: -0.9746857166779436
Energy: -0.05257646372282801
Energy: -0.03438206083359837
Energy: 0.49400970490164614
Energy: -0.034398003155095544
Energy: 0.10424023707591397
Energy: -0.11707602098027138
Energy: 0.4678642018635079
Energy: -0.2114980679379653
Energy: -0.2659151911345701
Energy: -0.1741617305380602
Energy: 1.1138720707692242
Energy: -0.2159739382018642
Energy: -0.0920694778035784
Energy: -0.15597469971376063
Energy: 1.0018485185266757
Energy: -0.13961357943108257
Energy: -0.11048383626521503
Energy: -0.23227363756382968
Energy: 0.03716797621239085
Energy: -0.0817845596582906
Energy: -0.0872696176202491
Energy: -0.1047737623350633
Energy: 1.0229617251954428
Energy: -0.10751995443714875
Energy: 0.09651230985223655
Energy: -0.04958372500253549
Energy: 0.3880865919813539
Energy: -0.04958381023066968
Energy: 0.09982396101376154
Energy: -0.17279852677884003
Energy: 0.5447244502362071
Energy: -0.20825911870771516
Energy: 0.15643332429206017
Energy: -0.5503831796318026
Energy: 0.6799880426943027
Energy: -0.16820439987731275
Energy: 0.5360456441374141
Energy: -0.7749029129182082
Energy: 0.3783384772492284
Energy: -0.5037719929661963
Energy: -0.15812746517156784
Energy: -0.03443160480159978
Energy: 0.11475179419540918
Energy: -0.034450921677081386
Energy: 0.46786176000951024
Energy: -0.20914948663503055
Energy: 0.10424023682035087
Energy: -0.19667170701573372
Energy: 1.1138721360709631
Energy: -0.23643387558938578
Energy: -0.20954994463839355
Energy: -0.16184647462474416
Energy: 1.0018485195574505
Energy: -0.09920744794893475
Energy: -0.12323925623092011
Energy: -0.15945091856566562
Energy: 0.6200464193636345
Energy: -0.16669977225856258
Energy: -0.15320638671068895
Energy: -0.1112497424798896

minimum gb energy = -0.9746857166779436 eV
minimum distance =  2.30380507371432 Angstroms
sigma value = 25


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

Energy: 1.1384954346175402
Energy: -0.32913856999264335
Energy: -0.3410316479462549
Energy: -0.3293542760287012
Energy: 0.07264000603425351
Energy: -0.42441799166566646
Energy: -0.22658415009484253
Energy: -0.4244179917055528
Energy: 0.2101352360874379
Energy: -0.44181814704498673
Energy: -0.19077694082750327
Energy: -0.44181813820928056
Energy: 0.6826898665831735
Energy: -0.530845430208095
Energy: -0.5168050876721768
Energy: -0.5308540435098151
Energy: -0.10793060808628277
Energy: -0.7411860082146319
Energy: -0.21573114566868645
Energy: -0.7411857622201283
Energy: -0.3596220136306891
Energy: -0.7453287229378193
Energy: -0.3271616189157719
Energy: -0.7453287229435235
Energy: -0.44432632056038857
Energy: -0.679197288119504
Energy: -0.22215158839726507
Energy: -0.679197277463979
Energy: 0.03484940680455282
Energy: -0.2686146156685509
Energy: -0.029773240934317453
Energy: -0.26861461556591815
Energy: -0.39697924401342266
Energy: -0.3072032948537386
Energy: -0.2251364485022367
Energy: -0.3072039219005107
Energy: -0.31270618598500155
Energy: -0.7599436448137317
Energy: 0.15358408256728237
Energy: -0.7599436401450009
Energy: -0.27658549412452993
Energy: -0.15511653733761596
Energy: 1.0071666004966682
Energy: -0.1551165373148423
Energy: -0.5765205153730952
Energy: -0.7785247531818679
Energy: -0.0015874462511628364
Energy: -0.7785248057038999
Energy: -0.27767044114570505
Energy: -0.27282021684743035
Energy: 0.004109023478238395
Energy: -0.27282021607485435
Energy: -0.41986532707539215
Energy: -0.261317290259605
Energy: 0.8349636062435148
Energy: -0.2613172904458564
Energy: -0.4912895050084934
Energy: -0.2775907654953187
Energy: -0.03530110823183686
Energy: -0.2775907655770792
Energy: -0.5879290124822159
Energy: -0.6756209357493623
Energy: -0.03669449917292042
Energy: -0.675620935950825
Energy: -0.24865752718580797
Energy: -0.2494110286490154
Energy: 0.06075440532730956
Energy: -0.24941105414981454
Energy: 0.24372888071856794
Energy: -0.9556912815087389
Energy: -0.29767387414315577
Energy: -0.9562324862177335
Energy: 0.004607192752021512
Energy: -0.7213778136932447
Energy: -0.40832784295094604
Energy: -0.7213688852327129
Energy: -0.17823268431797631
Energy: -0.7244316834113748
Energy: -0.36308654289728437
Energy: -0.7244316839843895
Energy: 0.0075782184476740466
Energy: -0.27930737934982985
Energy: -0.31661834795569943
Energy: -0.2793073793089928
Energy: -0.22571218492264697
Energy: -0.39820012071046124
Energy: -0.1377571378492485
Energy: -0.3982001207076092
Energy: 0.08792043003299728
Energy: -0.30545443501803676
Energy: -0.37392450169072405
Energy: -0.3054544349999735
Energy: 0.9709761966180398
Energy: -0.377271257664616
Energy: -0.6683168023457806
Energy: -0.3772716068254583
Energy: -0.0725638087848185
Energy: -0.4425765319012881
Energy: -0.26926743855580093
Energy: -0.44257653025065113
Energy: 0.2947318224155605
Energy: -0.3947600997000512
Energy: -0.4997775241433044
Energy: -0.3947600996971991

minimum gb energy = -0.9562324862177335 eV
minimum distance =  2.26313459572618 Angstroms
sigma value = 41


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

Energy: 0.24985866067657977
Energy: -0.8652134690718676
Energy: -0.7553337811282236
Energy: -0.8736743278270879
Energy: 0.2421445536484484
Energy: -0.8158277690961395
Energy: -0.6246074823075959
Energy: -0.8158277736583728
Energy: 0.04090367392576091
Energy: -0.7908392236489917
Energy: -0.6424642002089758
Energy: -0.7908392236388594
Energy: -0.15801199600605134
Energy: -0.708732661652327
Energy: -0.579556303894636
Energy: -0.7087326618673763
Energy: -0.6883138974216125
Energy: -0.8609527470711945
Energy: -0.6012210575079632
Energy: -0.8609527393778155
Energy: -0.3607021451417958
Energy: -0.8181264583394711
Energy: -0.5643299424149999
Energy: -0.818126457411606
Energy: -0.377621421681018
Energy: -0.5665358833034848
Energy: 0.00845911876033079
Energy: -0.5665358833688854
Energy: -0.28614126518434424
Energy: -0.4922326183498082
Energy: -0.2764299615854815
Energy: -0.4922326310401247
Energy: -0.3903947732986181
Energy: -0.6424697257817866
Energy: -0.05389473958565369
Energy: -0.6424697247814355
Energy: -0.3808403723821281
Energy: -1.0715494794332237
Energy: 0.022898711096507526
Energy: -1.0715494759133595
Energy: -0.7906658921522072
Energy: -0.9238681208693126
Energy: -0.26054022194947046
Energy: -0.923868124139833
Energy: -0.6728748557744003
Energy: -0.7986244600015199
Energy: 0.10758890399348889
Energy: -0.7986244597008051
Energy: -0.5158951211025273
Energy: -0.8220277871851819
Energy: 0.18375084047609783
Energy: -0.8220277872023289
Energy: -0.9102034322920511
Energy: -0.8682085637534471
Energy: 0.12097875181022817
Energy: -0.8682085637261674
Energy: -0.8685229047046915
Energy: -0.9810237906905669
Energy: 0.13078095897518038
Energy: -0.9810237907342145
Energy: -0.8395038472760018
Energy: -0.8224643068458753
Energy: 0.07722340557342108
Energy: -0.822464306845096
Energy: -0.897380171823264
Energy: -0.8693468804039383
Energy: 0.07691240504766647
Energy: -0.8693468804062766
Energy: -0.6986503835455891
Energy: -0.9041835914652978
Energy: 0.15485609556025992
Energy: -0.904183591393662
Energy: -0.6366820859978125
Energy: -0.8286567822317595
Energy: -0.08636955082568926
Energy: -0.828656820506138
Energy: -0.3222812674523164
Energy: -0.8245010614410239
Energy: -0.03423377462743449
Energy: -0.8245010613241817
Energy: -0.6693372054247596
Energy: -0.6946366854606478
Energy: -0.06963742970745339
Energy: -0.6946397153960762
Energy: -0.5250095328128541
Energy: -0.5817048344315798
Energy: -0.3487891488684847
Energy: -0.5817048343848147
Energy: -0.31081052784711816
Energy: -0.7888362621552483
Energy: -0.3431000923734867
Energy: -0.7888362624731102
Energy: -0.25475700297057313
Energy: -0.6810299476019684
Energy: -0.6030845218862937
Energy: -0.681029948471377
Energy: -0.007959902920865389
Energy: -0.875943256556576
Energy: -0.4129131382806037
Energy: -0.8759432566250942
Energy: -0.07002918765058534
Energy: -0.9149709332799799
Energy: -0.6438063679078867
Energy: -0.9132172797138551
Energy: -0.21290232397024103
Energy: -0.8058528552950136
Energy: -0.6667998444196529
Energy: -0.8058528552887781
Energy: 0.11324359815546792
Energy: -0.8336875234210587
Energy: -0.6662862857441316
Energy: -0.8336875233198049
Energy: 0.11243228882400723
Energy: -0.8457817982692205
Energy: -0.6907481733565158
Energy: -0.8457817982738972
Energy: 0.12887836710934303
Energy: -0.827206624567046
Energy: -0.8676543444912518
Energy: -0.8272066245787374
Energy: 0.1493229382809356
Energy: -0.8090736851610572
Energy: -0.8180369399177948
Energy: -0.8090736849491255
Energy: 0.12552599880890633
Energy: -0.8860373332118884
Energy: -0.9400008335052017
Energy: -0.8860373332095504

minimum gb energy = -1.0715494794332237 eV
minimum distance =  2.26648358410866 Angstroms
sigma value = 15


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

Energy: -0.40360431660182355
Energy: -1.574426062555679
Energy: -1.4706792104504751
Energy: -1.5885429627007106
Energy: -0.918684630691996
Energy: -1.323603513110096
Energy: -1.162532548278757
Energy: -1.3236034907523913
Energy: -0.5790810011209353
Energy: -1.576104456395575
Energy: -1.3975872459367598
Energy: -1.5761044556405763
Energy: -0.6458296103575569
Energy: -0.2991992047498136
Energy: -1.2875573378496676
Energy: -0.29919920475311496
Energy: -0.34946668882389975
Energy: -1.7021312453717594
Energy: -1.289371487158228
Energy: -1.7021285773304324
Energy: -0.661315018372967
Energy: -1.673804928008983
Energy: -1.2576577942987395
Energy: -1.6738049289079227
Energy: -0.7231467039007693
Energy: -1.725550959064153
Energy: -1.2934951652300715
Energy: -1.7255509594126002
Energy: -0.5204302358075219
Energy: -1.3546034158650258
Energy: -0.8704825011864458
Energy: -1.3546034211891547
Energy: -0.9264676068389902
Energy: -1.5452040146995616
Energy: -0.5615737015271764
Energy: -1.5452040148032253
Energy: -1.0124957798480625
Energy: -1.515492046899234
Energy: -0.3697689883280164
Energy: -1.5154921393408043
Energy: -1.1165462827964863
Energy: -0.3731525939708007
Energy: -0.7811934714285371
Energy: -0.3731525939741021
Energy: -0.9297339088750916
Energy: -1.3589573849931718
Energy: -0.37029735247271517
Energy: -1.3589574452967461
Energy: -1.2180710671491553
Energy: -1.4549524791842485
Energy: -0.6762362362144294
Energy: -1.4549524770089295
Energy: -1.2624524867741473
Energy: -1.2619231265518134
Energy: -0.6435914895731045
Energy: -1.2619231265914301
Energy: -1.38111679913919
Energy: -1.3470113288528325
Energy: -0.060154606884767425
Energy: -1.3470113287557717
Energy: -1.2624841677387078
Energy: -1.3598855623600377
Energy: -0.3852166370275149
Energy: -1.3598855623006125
Energy: -1.3411865182537983
Energy: -1.3422189899130736
Energy: -0.4185621471381478
Energy: -1.342218989915055
Energy: -1.4221962146893092
Energy: -1.464932187991878
Energy: -0.3074062169325519
Energy: -1.464932187994519
Energy: -1.4772024295374575
Energy: -1.445206491374359
Energy: -0.41123134224862185
Energy: -1.4452064913763398
Energy: -1.3558890973655167
Energy: -1.337175706171045
Energy: -0.16474379409946158
Energy: -1.3371757061571794
Energy: -1.360328741578319
Energy: -1.2565002009850659
Energy: -0.08022445511981838
Energy: -1.2565001996433192
Energy: -1.28700609256898
Energy: -1.595453851034514
Energy: -0.6120675573358172
Energy: -1.5954540127191745
Energy: -1.1847958434387627
Energy: -1.5122794502381536
Energy: -0.5651413720944156
Energy: -1.5122794480971693
Energy: -1.2118724239353595
Energy: -1.6820222676273828
Energy: -0.3874576956432017
Energy: -1.6820222678603411
Energy: -1.2008919906645732
Energy: -1.7690502351975315
Energy: -0.8156216923336149
Energy: -1.7690502351909287
Energy: -0.7449039632976439
Energy: -1.0132238984284911
Energy: -0.5098893305823237
Energy: -1.0132239013984259
Energy: -0.9881617062485831
Energy: -1.1640683798352913
Energy: -0.5549442231344797
Energy: -1.1640683798333105
Energy: -0.9589397112729441
Energy: -1.4503057521512106
Energy: -1.0173963919266638
Energy: -1.4503057521591343
Energy: -0.8097301131909566
Energy: -1.105549326238571
Energy: -0.5897557525140275
Energy: -1.1055493287359859
Energy: -0.7724068737766021
Energy: -1.461836586107741
Energy: -1.164518541334213
Energy: -1.461836578405047
Energy: -0.11137377503709178
Energy: -1.478284974093178
Energy: -0.9879667955485633
Energy: -1.4782844595220865
Energy: -0.5844372672899056
Energy: -1.3521295386277918
Energy: -1.0820227068186932
Energy: -1.3521295385954382
Energy: -0.3594087579368494
Energy: -1.5678138325216047
Energy: -1.3642429339405888
Energy: -1.567813832520284
Energy: -0.357773979420331
Energy: -1.3682413869310435
Energy: -1.1015028220657086
Energy: -1.3682413836865528
Energy: -0.4875398006432889
Energy: -0.32251226871260535
Energy: -1.1759035035409757
Energy: -0.3225122687152464
Energy: -0.4066895426736432
Energy: -1.1935361988744553
Energy: -1.2443245933743494
Energy: -1.1935361988737954
Energy: -0.43106548396928657
Energy: -1.2716137219198307
Energy: -1.1769699207674325
Energy: -1.2716137219218115

minimum gb energy = -1.7690502351975315 eV
minimum distance =  2.2518932185887 Angstroms
sigma value = 85


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

Energy: 0.670952509545056
Energy: -0.8181520148379791
Energy: -0.8129737196874377
Energy: -0.8182296549109426
Energy: -0.12513569287236592
Energy: -0.8935871673853083
Energy: -0.6910524710506709
Energy: -0.8935866741509062
Energy: 0.04210420230545956
Energy: -0.7722941247198286
Energy: -0.8199550728792085
Energy: -0.7722941237301401
Energy: 0.16715111355053258
Energy: -0.8679497332387804
Energy: -0.041495576179471715
Energy: -0.867949732112278
Energy: -0.04098645138314294
Energy: -0.4249646163825135
Energy: -0.533375663905407
Energy: -0.42496461655194306
Energy: -0.06580137656791987
Energy: -0.709512224649526
Energy: -0.47104346474968134
Energy: -0.7095122246604065
Energy: -0.08664538409852213
Energy: -0.7404146093643711
Energy: -0.4615115011611676
Energy: -0.7404146133992632
Energy: -0.17249661155642704
Energy: -0.8407733305912246
Energy: 0.06580955990564326
Energy: -0.8459256002698229
Energy: -0.25255977889627274
Energy: -0.737907240802576
Energy: -0.5192043423700994
Energy: -0.7379073354494761
Energy: -0.28928313585450294
Energy: -0.6484201851948299
Energy: -0.2902575163397927
Energy: -0.6484296836716263
Energy: -0.44806464863597745
Energy: -0.6432136822552393
Energy: -0.2513331982191851
Energy: -0.6432136900714647
Energy: -0.4296977749766533
Energy: -0.5916437678591032
Energy: -0.317655002168734
Energy: -0.591643676513256
Energy: -0.36491357641942634
Energy: -0.8106385214737847
Energy: -0.1533306575544395
Energy: -0.8106385205733793
Energy: -0.5531344882488646
Energy: -0.7951781858394786
Energy: 0.4529978579139449
Energy: -0.7979861734344643
Energy: -0.10719370323550866
Energy: -0.7708793487636637
Energy: 0.06876061629438773
Energy: -0.7708793510893706
Energy: -0.5446087357906332
Energy: -0.7341449848563167
Energy: 0.014186474099015146
Energy: -0.7341449848591801
Energy: -0.6432055076799074
Energy: -0.7225385709833585
Energy: 0.009907858206051555
Energy: -0.7225385709719053
Energy: -0.35592015463831145
Energy: -0.5187403341642601
Energy: -0.5939707943182748
Energy: -0.5187403341756874
Energy: -0.39960950320833105
Energy: -0.6062597658545114
Energy: 0.2305515750223494
Energy: -0.6062597659163327
Energy: -0.6931099416365405
Energy: -0.6191068737221551
Energy: 0.1800409280408939
Energy: -0.6191068737215825
Energy: -0.4806361615685575
Energy: -0.5495691156881918
Energy: 0.4935476657136581
Energy: -0.5495691155525492
Energy: -0.6135565000197797
Energy: -0.6629988665187726
Energy: 0.1967454664782641
Energy: -0.6629988661919395
Energy: -0.28087700505980295
Energy: -0.6444824771443372
Energy: 0.5455338283324077
Energy: -0.6444824771403286
Energy: -0.703486646764526
Energy: -0.6961674660696008
Energy: 0.5418392764256166
Energy: -0.6961674660856354
Energy: -0.6654795346322084
Energy: -0.856643162373892
Energy: 0.23335539903917316
Energy: -0.8566431589560685
Energy: -0.5665099935759079
Energy: -0.7553782084813885
Energy: -0.04699934211181421
Energy: -0.7553782069312989
Energy: -0.545354690595899
Energy: -0.8425095555445956
Energy: -0.04730899482801336
Energy: -0.8425095556092802
Energy: -0.2795237298245449
Energy: -0.5971668867336621
Energy: -0.07703994934644745
Energy: -0.5971667003957825
Energy: -0.4072148075866143
Energy: -0.7326050577512879
Energy: -0.11482866178014
Energy: -0.7326050566368113
Energy: -0.45617473312585893
Energy: -0.78251060494075
Energy: -0.33817999585051306
Energy: -0.7825105308707343
Energy: -0.30769283011518156
Energy: -0.8180326684542992
Energy: 0.25892450316662136
Energy: -0.818038657070869
Energy: -0.2388204820667491
Energy: -0.3472322246931442
Energy: -0.254765733957024
Energy: -0.347232234815007
Energy: -0.22505696398017108
Energy: -0.42371604814463065
Energy: -0.45492788688328306
Energy: -0.42371601598736774
Energy: -0.14341828200449075
Energy: -0.6264499199833471
Energy: -0.4023006784799698
Energy: -0.6264521702881055
Energy: 0.0367102537531556
Energy: -0.7681958258786634
Energy: -0.3304400018321619
Energy: -0.7681958621497935
Energy: 0.007743495859370564
Energy: -0.8148482519055347
Energy: -0.49292797671952554
Energy: -0.8148482517349599
Energy: 0.1679921019761014
Energy: -0.6587758197762231
Energy: -0.571580878803324
Energy: -0.6587765226443061
Energy: 0.0786373137332273
Energy: -0.8357263731804704
Energy: -0.6708374786777704
Energy: -0.8357263717099547
Energy: -0.11319706087210296
Energy: -0.9107683356175204
Energy: -0.8301936351583085
Energy: -0.9107684587525395
Energy: 0.31098736215874945
Energy: -0.6099900363457809
Energy: -0.28030454358772966
Energy: -0.6099900363515076
Energy: 0.39206459430893426
Energy: -0.6366826632145746
Energy: -0.5848768220154136
Energy: -0.6366826631985399
Energy: -0.32687755633744003
Energy: -0.7261715241946614
Energy: -0.47559444840790943
Energy: -0.7261715241975246
Energy: 0.23471540793057527
Energy: -0.6626066905754832
Energy: -0.6539827452912155
Energy: -0.6626066903344969

minimum gb energy = -0.9107684587525395 eV
minimum distance =  2.26360055741666 Angstroms
sigma value = 113


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

Energy: 0.018172931045170464
Energy: 0.3976105821235219
Energy: 1.329884274669636
Energy: 0.3976105872431281
Energy: -1.9727490328687265
Energy: -3.447207175735632
Energy: -1.9357085863565011
Energy: -3.3298711011718933
Energy: -3.1387300227428803
Energy: -3.419996559827742
Energy: -2.0598024574532174
Energy: -3.4106240003420205
Energy: 0.01920331796056862
Energy: -3.395036195414859
Energy: -1.981913659850476
Energy: -3.790169324393416
Energy: -2.0745098100442605
Energy: -3.564268746488734
Energy: -2.0436933504228674
Energy: -3.3992697937458787
Energy: -3.2357313006994315
Energy: -3.6734521360823504
Energy: -1.9969154722301654
Energy: -3.4942641174249203

minimum gb energy = -3.790169324393416 eV
minimum distance =  2.42909040078351 Angstroms
sigma value = 1